A0A087YHU7_POEFO Loading...

TPX2 microtubule nucleation factor

AlphaFold DB , UniProt , Accession A0A087YHU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 681 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.1Very low43.4Very low244 Ų244135.6 Ų135.6100%1.20285%0.852SS**  01120-82.6-87.5179.200107.3
2A39.3Very low43.8Very low89 Ų89142.8 Ų142.874%0.73685%0.85SS**  trans14.7155.1150.800000120.4
3D43.3Very low44.5Very low146 Ų146148.6 Ų148.678%0.78185%0.851SS**  cis-172.8167.4-19.3-104.6-42.7000105.7
4T43.2Very low44.9Very low131 Ų131147.7 Ų147.780%0.80484%0.842SS**  trans87.3102159660000121.8
5D45.4Very low45.1Very low160 Ų160150 Ų15086%0.85684%0.839SS**  53.7113.2113.7-147.719.6000121.1
6S43.5Very low46Very low119 Ų119150.4 Ų150.483%0.83284%0.839SS**  trans-156.8125.7144.845.50000110
7G43.2Very low46.6Very low73 Ų73145.1 Ų145.175%0.75382%0.819SS**  trans-80142.4-17000000114.9
8E42.5Very low46.7Very low197 Ų197144.2 Ų144.292%0.92182%0.82SS**  trans-112.4103.6160.6-78.6-177.7148.800108.3
9T44.6Very low47.1Very low139 Ų139142.3 Ų142.385%0.85382%0.817SS**  trans-83.8110165.846.90000108.5G11T9-G11 PolarHBondContact O-N 3.46Å
10S48.4Very low47.4Very low111 Ų111143.2 Ų143.278%0.77681%0.813SS**  trans-57116.8163.353.30000109.6R12S10-R12 PolarHBondContact O-N 3.2Å
11G48.3Very low47.7Very low83 Ų83142.1 Ų142.186%0.85681%0.809SS**  trans-57.4105177.200000111.7T9T9-G11 PolarHBondContact O-N 3.46Å
12R47.5Very low48.6Very low222 Ų222133.7 Ų133.784%0.83877%0.771SS**  trans-71.1122.6169.7-164.7177.9-164.3-174.81.7107.5S10 D14S10-R12 PolarHBondContact O-N 3.2Å; R12-D14 PolarHBondContact O-N 3.49Å; R12-D14 VanDerWaalsContact O-N 3.16Å
13Y53.3Low49Very low218 Ų218135 Ų13586%0.85577%0.765SS**  trans-71.5102.4175.8-156.9-97.9000108.2
14D49.9Very low49.2Very low136 Ų136135.4 Ų135.473%0.72776%0.761SS**  trans-82.2125.7172.5-79.1-27.8000109.3R12 D16R12-D14 PolarHBondContact O-N 3.49Å; R12-D14 VanDerWaalsContact O-N 3.16Å; D14-D16 PolarHBondContact O-N 3.16Å
15F48.6Very low49.8Very low182 Ų182137.1 Ų137.180%0.79876%0.757SS**  trans-82.9109-180-158.1-91.8000108.3A17F15-A17 VanDerWaalsContact C-N 3.32Å; F15-A17 HydrophobicContact CD1-CB 4.36Å; F15-A17 PolarHBondContact O-N 3.46Å
16D59.4Low50.2Low156 Ų156137.3 Ų137.383%0.83475%0.753SS**  trans-74.884.9175.4-164.511.3000109.5D14D14-D16 PolarHBondContact O-N 3.16Å
17A55.4Low50.6Low61 Ų61138.2 Ų138.250%0.50475%0.748SS.*  trans-86125.2168.300000108.1F15 S19F15-A17 VanDerWaalsContact C-N 3.32Å; F15-A17 HydrophobicContact CD1-CB 4.36Å; F15-A17 PolarHBondContact O-N 3.46Å; A17-S19 PolarHBondContact O-N 3.17Å
18P48.6Very low51Low128 Ų128141.6 Ų141.683%0.83175%0.748SS**  trans-59102.2174.6-23.733.3000110.5H20P18-H20 PolarHBondContact O-N 2.96Å
19S54.1Low51.6Low109 Ų109138.9 Ų138.976%0.76274%0.739SS**  trans-81.667.617167.40000109.1A17 V21A17-S19 PolarHBondContact O-N 3.17Å; S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 3.14Å
20H52.6Low51.9Low160 Ų160135.9 Ų135.974%0.74173%0.729SS**  trans-82.786.9161.7-163.260.2000107.8P18 V22P18-H20 PolarHBondContact O-N 2.96Å; H20-V22 PolarHBondContact O-N 3.04Å
21V55Low52.4Low120 Ų120139.1 Ų139.173%0.72773%0.732SS**  trans-74.6102.8164.61790000105.6S19 D23S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 3.14Å; V21-D23 PolarHBondContact O-N 3.24Å
22V53.8Low52.7Low68 Ų68140.7 Ų140.741%0.41273%0.725SS.*  trans-67114.3165.6-179.60000106.4H20 F24H20-V22 PolarHBondContact O-N 3.04Å; V22-F24 HydrophobicContact CB-CE2 4.48Å; V22-F24 VanDerWaalsContact O-CD2 3.27Å; V22-F24 WeakPolarHBondContact O-CD2 3.44Å; V22-F24 PolarHBondContact O-N 3.48Å; V22-F24 VanDerWaalsContact O-N 3.14Å
23D49.4Very low52.8Low115 Ų115136 Ų13662%0.61572%0.716SS**  trans-76.598.8178-143.1-10.8000108.1V21 K25 E26V21-D23 PolarHBondContact O-N 3.24Å; D23-K25 PolarHBondContact O-N 3.15Å; D23-E26 PolarHBondContact O-N 3.3Å
24F46.7Very low52.7Low156 Ų156132.2 Ų132.268%0.68471%0.711SS**THydrogen-bonded Turntrans-66.24.9-176-72.7-80.9000114.3V22V22-F24 HydrophobicContact CB-CE2 4.48Å; V22-F24 VanDerWaalsContact O-CD2 3.27Å; V22-F24 WeakPolarHBondContact O-CD2 3.44Å; V22-F24 PolarHBondContact O-N 3.48Å; V22-F24 VanDerWaalsContact O-N 3.14Å
25K56.4Low52.9Low167 Ų167132.7 Ų132.773%0.72671%0.709SS**THydrogen-bonded Turntrans-86.6-27.6176.5-131.3169.1-177.5-177.60112.9D23D23-K25 PolarHBondContact O-N 3.15Å
26E53.5Low53.1Low163 Ų163134 Ų13476%0.76271%0.708SS**THydrogen-bonded Turntrans-81.2-14.7175.8-77.5-173.5157.100113.3D23 L28D23-E26 PolarHBondContact O-N 3.3Å; E26-L28 VanDerWaalsContact C-N 3.34Å
27L50.5Low52.3Low139 Ų139135 Ų13573%0.72871%0.705SS**THydrogen-bonded Turntrans-86-6175.5-132.396.2000113.8
28L52.9Low52.1Low143 Ų143138.2 Ų138.275%0.74972%0.715SS**SBendtrans-90.2-16.6176-101.8137.3000112.8E26E26-L28 VanDerWaalsContact C-N 3.34Å
29D54.6Low52Low140 Ų140138.6 Ų138.675%0.74971%0.714SS**SBendtrans-107.86.2-178.4-65.1-22.3000113E31D29-E31 VanDerWaalsContact C-N 3.29Å; D29-E31 PolarHBondContact O-N 3.32Å; D29-E31 VanDerWaalsContact O-N 3.07Å
30A50.3Low51.6Low77 Ų77143.6 Ų143.664%0.63672%0.717SS**  trans-81.976168.400000110.2T32A30-T32 PolarHBondContact O-N 3.05Å
31E59.9Low51.4Low178 Ų178140.7 Ų140.783%0.83272%0.72SS**  trans-67.2103.6159.7-76.9-178.4155.500109.4D29D29-E31 VanDerWaalsContact C-N 3.29Å; D29-E31 PolarHBondContact O-N 3.32Å; D29-E31 VanDerWaalsContact O-N 3.07Å
32T53.7Low51.1Low116 Ų116142.8 Ų142.871%0.71273%0.727SS**  trans164.4132.3152.823.10000107.8A30A30-T32 PolarHBondContact O-N 3.05Å
33D51.2Low50.4Low123 Ų123142.9 Ų142.966%0.65874%0.742SS**  cis-155.1109.614.3-84-51.4000108H35D33-H35 IonicContact OD1-CD2 3.66Å
34D49.8Very low50.7Low140 Ų140144.2 Ų144.275%0.74976%0.757SS**  trans-121.256.8165-1484.1000109W36D34-W36 VanDerWaalsContact C-N 3.31Å
35H53.5Low50.1Low145 Ų145140.1 Ų140.167%0.67176%0.759SS**  trans-91.110.8176.3-72.6-54.3000113.2D33 F37D33-H35 IonicContact OD1-CD2 3.66Å; H35-F37 PolarHBondContact O-N 3.2Å
36W53.6Low49.4Very low210 Ų210137.7 Ų137.780%0.79576%0.76SS**SBendtrans-72.6-27.6-177.4-178.3-87.4000113.1D34D34-W36 VanDerWaalsContact C-N 3.31Å
37F43.2Very low48.9Very low176 Ų176138.3 Ų138.377%0.77276%0.763SS**SBendtrans-105.3-3.2-172.8-89.1-74.3000116.2H35H35-F37 PolarHBondContact O-N 3.2Å
38D51.4Low48.2Very low130 Ų130139.9 Ų139.970%0.69577%0.771SS**  trans-119.130.1-166.8-102.8-18.5000115.8R40D38-R40 PolarHBondContact O-N 2.97Å
39T46.6Very low47.7Very low135 Ų135140 Ų14083%0.82877%0.772SS**  trans-88.696.8161.3-0.20000110.1
40R44.6Very low47.1Very low215 Ų215139.7 Ų139.781%0.81178%0.775SS**  trans-57.5142.6175.5-70.2-175.7177.1-155.6-0.4112.3D38 D42D38-R40 PolarHBondContact O-N 2.97Å; R40-D42 PolarHBondContact O-N 2.82Å
41A49.5Very low46.7Very low98 Ų98142.2 Ų142.281%0.8179%0.785SS**  trans-55.6116.5155.700000110.6
42D48.8Very low45.7Very low165 Ų165138 Ų13888%0.88278%0.781SS**  trans-152.9103.9156.3-92.4-39.1000108.6R40R40-D42 PolarHBondContact O-N 2.82Å
43G38.6Very low45.1Very low70 Ų70143.7 Ų143.772%0.72279%0.789SS**SBendtrans157.2129.4176.200000112.8
44P54.6Low44.6Very low142 Ų142143.7 Ų143.792%0.92280%0.796SS**  trans-88.4133.2-158.233.6-33.3000114.3
45G34.3Very low43.8Very low71 Ų71144.2 Ų144.273%0.73280%0.799SS**  trans124.4166.7152.900000115.1
46P42Very low43Very low115 Ų115145.6 Ų145.675%0.74781%0.805SS**  cis-108.3161.3-27.333.3-18.4000111.3L48P46-L48 PolarHBondContact O-N 3.12Å
47Q44.2Very low42Very low177 Ų177144.9 Ų144.983%0.82781%0.811SS**  trans-60.6117.4175.4-66.2175.1-7.300110.9L49Q47-L49 PolarHBondContact O-N 3.46Å
48L35.8Very low41.3Very low172 Ų172145 Ų14590%0.90181%0.812SS**  trans-8497.8166.7-70.3179000109.1P46P46-L48 PolarHBondContact O-N 3.12Å
49L40.9Very low40.4Very low145 Ų145148.1 Ų148.176%0.75982%0.824SS**  trans-70135.8170.6-72.3162000110.8Q47Q47-L49 PolarHBondContact O-N 3.46Å
50T41.8Very low39.6Very low133 Ų133150.4 Ų150.482%0.81683%0.826SS**  trans-55.5129.1168.6-29.60000111.1A52T50-A52 PolarHBondContact O-N 2.95Å; T50-A52 VanDerWaalsContact O-N 3.11Å
51P41.7Very low39Very low130 Ų130145.1 Ų145.184%0.84483%0.828SS**  trans-79.6100.7171.8-1228.6000110.2
52A39.2Very low38.1Very low90 Ų90147.1 Ų147.174%0.74483%0.825SS**  trans-66.2147.5156.300000109.8T50T50-A52 PolarHBondContact O-N 2.95Å; T50-A52 VanDerWaalsContact O-N 3.11Å
53R40.8Very low37.4Very low235 Ų235150 Ų15089%0.88782%0.824SS**  trans-45.2146.6171.3-77.3-176.9165.9-178.8-4112.5
54P41.8Very low37.1Very low124 Ų124152.5 Ų152.581%0.80583%0.829SS**  trans-111.9124.3153.131.6-19000111.6
55D32.6Very low36Very low150 Ų150149.5 Ų149.580%0.80283%0.825SS**  trans-74.4136.7154.4-86-36.6000109.5
56Q38.1Very low35.9Very low174 Ų174150 Ų15081%0.81382%0.822SS**  trans41.3116139.3-125.3169.142.500119.9
57Q31.2Very low35.5Very low195 Ų195155.5 Ų155.591%0.91183%0.829SS**  -168152.2124.4-102.9168.226.900113.7
58F29.7Very low34.9Very low179 Ų179150.2 Ų150.279%0.78582%0.822SS**  trans-57.8147.5-173.6-81.7-118.2000115.4
59M31.6Very low34.8Very low195 Ų195150.1 Ų150.196%0.96182%0.823SS**  trans-148.3134.4136.9-82.7-56.8162.500110.1
60E30.3Very low34.4Very low184 Ų184152.4 Ų152.486%0.8683%0.827SS**  trans-73.8147175.4-62.8172140.300111.4
61A31.3Very low34Very low103 Ų103152.9 Ų152.985%0.85183%0.829SS**  trans-168.5148.3137.800000112.6
62D31.1Very low33.6Very low140 Ų140155.1 Ų155.175%0.74983%0.828SS**  trans-63.7147.4-163.5-72.3-65.7000121
63R34.4Very low33.3Very low227 Ų227160.5 Ų160.586%0.85784%0.835SS**  trans30.3129.2130.8-57180179-134.3-0.9120
64S32.3Very low32.8Very low121 Ų121156.8 Ų156.885%0.84683%0.832SS**  174.2137.5100.246.60000114.7
65G31.6Very low32.5Very low80 Ų80157.7 Ų157.783%0.82584%0.835SS**  trans60.2152.315200000121.2
66A32.1Very low32.9Very low82 Ų82159.8 Ų159.868%0.67884%0.841SS**  cis176162-10.700000105.6
67Y33.1Very low32.6Very low229 Ų229156.9 Ų156.990%0.89884%0.839SS**  trans76.5121.4178.2-62.5-89.9000114.7
68G32.1Very low32.9Very low66 Ų66150.7 Ų150.768%0.6883%0.828SS**  cis108.590.315.800000109.6
69D32.4Very low33.3Very low170 Ų170150.9 Ų150.991%0.90983%0.831SS**  trans-165.5141.5137.1-122.4-18.6000113.2
70K33.5Very low33.6Very low194 Ų194146.5 Ų146.584%0.84382%0.819SS**  trans-107.4126.5175-81-177.7171.6-174.70108.3
71V32.5Very low33.7Very low142 Ų142147.1 Ų147.186%0.86182%0.822SS**  trans-147.3125.4148.9176.70000109.4
72E34.4Very low33.9Very low178 Ų178146.3 Ų146.383%0.83282%0.816SS**  trans-64.2145.6169-68.4-175153.300111.9
73K32.1Very low34.3Very low203 Ų203147.6 Ų147.688%0.88382%0.815SS**  -172.9127.6128.6-102.7163.2-172.4178.60111.3
74D31.7Very low34Very low156 Ų156142 Ų14283%0.83481%0.809SS**  trans-52.8142.7157.8-60-58.3000110.5
75V34.7Very low34.2Very low143 Ų143142.3 Ų142.387%0.86781%0.806SS**  trans178.6122.8131.1154.10000108.7
76E40.7Very low34.5Very low195 Ų195143.4 Ų143.491%0.91180%0.801SS**  trans-86.3118.2-179.1-170.1172.5-156.400109.8
77S31.5Very low34.7Very low112 Ų112143.9 Ų143.978%0.78380%0.799SS**  trans179.1125.4154.4-161.20000106.6
78G37.6Very low34.7Very low65 Ų65140.3 Ų140.367%0.6780%0.796SS**  cis86.485.237.700000109.7
79Q38.1Very low34.7Very low184 Ų184145 Ų14586%0.8680%0.802SS**  trans-151.6104.4155.8-80-166.5-2.400106.9
80S38.7Very low34.3Very low102 Ų102143.1 Ų143.171%0.71380%0.796SS**  61.7112.388.1730000113.7
81Q31.4Very low34Very low197 Ų197137.4 Ų137.492%0.92179%0.793SS**  trans-128.7127.3138.2-74.8-159.51.200110.4
82A37.1Very low33.7Very low87 Ų87136.5 Ų136.572%0.71979%0.793SS**  trans-101.1150.8160.700000107.9
83K38.7Very low33.5Very low166 Ų166138 Ų13872%0.72280%0.796SS**  trans-172120.4138.4-99152-173.4-177.70107.2
84C27.2Very low33.3Very low109 Ų109137.4 Ų137.474%0.73680%0.797SS**  84.6143.892-69.30000112.2
85V37.9Very low33.3Very low129 Ų129136.3 Ų136.378%0.78280%0.796SS**  cis179.8161.1-20.5132.80000105.5
86S37.6Very low33.2Very low103 Ų103139 Ų13972%0.7280%0.799SS**  trans86.9140.7156.3139.50000116.8
87S35.3Very low32.6Very low92 Ų92139.4 Ų139.464%0.64380%0.798SS**  cis-166.5150.53.1-770000109.8
88N34.4Very low32.3Very low153 Ų153140 Ų14082%0.81880%0.802SS**  trans29.6144.6135.4-63.6-8.8000120.7
89M31.2Very low31.9Very low164 Ų164140.5 Ų140.581%0.80881%0.807SS**  cis-171.8155.523.2-103.2-131.4-57.400109.9
90V25.3Very low31.6Very low132 Ų132141.2 Ų141.280%0.881%0.81SS**  trans67.7121.1145.2176.50000121.5
91G25.8Very low31.1Very low74 Ų74141 Ų14176%0.76381%0.814SS**  trans178.9111.816100000113.3
92S26.6Very low31Very low123 Ų123140.6 Ų140.686%0.8681%0.809SS**PPolyproline II helixtrans-56.4147.6-169.8-56.90000117.1
93K30.1Very low30.6Very low209 Ų209147.2 Ų147.291%0.90982%0.816SS**PPolyproline II helixtrans-92.8118162.6-74.9-178176.91780109.6
94E28.5Very low30.1Very low191 Ų191147.6 Ų147.689%0.89382%0.82SS**PPolyproline II helixtrans-82.7140.8155.6-87.8-175.5154.200110.7
95T31.3Very low30.8Very low133 Ų133147.5 Ų147.582%0.81682%0.818SS**PPolyproline II helixtrans-74.7124.7-179.542.50000111.9
96Q31.4Very low30.3Very low199 Ų199146.5 Ų146.593%0.9381%0.812SS**  trans-100.1114156.1-75.3-162.5-30.500109.9
97K28.6Very low30.2Very low204 Ų204149.6 Ų149.689%0.88781%0.813SS**  trans-76.4129.9165.4-87.2179.8175.11750109.2
98S26.2Very low29.9Very low124 Ų124151.3 Ų151.387%0.86781%0.811SS**  trans-67.7126.815853.50000110.4
99G28.5Very low29.8Very low75 Ų75154.6 Ų154.677%0.77381%0.812SS**  trans-131.9134.2168.700000109.6
100Q31.1Very low29.8Very low199 Ų199157.9 Ų157.993%0.9382%0.815SS**  trans-69144.4-162.8-65.5164.8-46.600114.6
101A28.5Very low30Very low97 Ų97159.5 Ų159.580%0.80282%0.817SS**  trans-76.6141.2157.200000110.5
102K29.3Very low30.4Very low189 Ų189160.3 Ų160.382%0.82281%0.812SS**  trans-159.9129.9150.4-111.7179.9-170.4-1770111.9
103R28.7Very low30.6Very low227 Ų227164 Ų16486%0.85781%0.812SS**  trans93.790.1153.2-62.6177.5173.7177.2-2.6118.6
104E29.2Very low30.6Very low174 Ų174164.2 Ų164.281%0.81381%0.807SS**  -58.1164.8129.8-82.9-123.7-178.400110.9
105P42.2Very low31Very low107 Ų107161.8 Ų161.870%0.69579%0.794SS**  cis-148-175.735.728.7-1.9000117.1
106V26.4Very low31Very low108 Ų108161.1 Ų161.166%0.65578%0.781SS**  trans128.3101135.7-179.70000114.9
107K34.7Very low31.1Very low167 Ų167158.7 Ų158.773%0.72677%0.772SS**  51.5150.4124.4-60.3177.3163-137.80119.3
108E30.7Very low31.1Very low129 Ų129155 Ų15560%0.60377%0.771SS**  cis-168.8146.21.4-109.3163.5-149.400106.9
109R30.5Very low31.2Very low222 Ų222154.9 Ų154.984%0.83877%0.769SS**  trans48.3108.5137.3-63.1177.5148.3177-8.3121.6
110R33.1Very low31.2Very low233 Ų233156.9 Ų156.988%0.87977%0.771SS**  36.2120112.5-159.7179-166.11653.3117.1
111I28.8Very low31.4Very low165 Ų165152.6 Ų152.685%0.84676%0.763SS**  -175.4144.2123.5-84.2144.6000110.5
112S33.2Very low31.5Very low92 Ų92153 Ų15364%0.64377%0.767SS**  trans-71.4148.5176.956.30000116
113K31.6Very low31.8Very low199 Ų199148.5 Ų148.587%0.86577%0.765SS**  160.8124.9113.7-95.4175.2175.3173.70112.1
114R31.1Very low32.5Very low215 Ų215143.4 Ų143.481%0.81176%0.761SS**  12.3144.2127.9-121.3-171.6172.1173-0.4116.6
115K35.5Very low33.4Very low140 Ų140140.3 Ų140.361%0.60976%0.756SS**  cis177.5171.935.5-166.4179.1178.3-136.30109
116E30.7Very low33.7Very low118 Ų118143.9 Ų143.955%0.55177%0.768SS**  trans95.1128152.7-55.4-82.311300115.4
117M34.8Very low34.5Very low149 Ų149148.1 Ų148.173%0.73478%0.778SS**  cis-161.6154.8-1.9-45.3-165.286.100110.5
118S27.6Very low34.9Very low126 Ų126149.2 Ų149.288%0.88178%0.783SS**  168.1146.3113.856.40000110.8
119C28.1Very low35.5Very low122 Ų122149.2 Ų149.282%0.82479%0.794SS**  trans-131.2141.9-163.9520000111.7
120S30.4Very low36Very low116 Ų116148.5 Ų148.581%0.81180%0.797SS**  trans179.3137.8151.451.30000106.6
121S34.1Very low36.7Very low109 Ų109140.9 Ų140.976%0.76279%0.791SS**  cis-173.6148.2545.60000108.2
122A29.8Very low37.8Very low106 Ų106141.5 Ų141.588%0.87680%0.795SS**  trans62129.6147.400000121.9
123A36.6Very low38.8Very low95 Ų95140.1 Ų140.179%0.78579%0.785SS**  trans-91.6165.9-175.200000114.7
124P44Very low40.5Very low120 Ų120133.7 Ų133.778%0.77977%0.765SS**  trans-123.2170.1141.136.6-23.7000112.5
125P47.3Very low42.5Very low109 Ų109127.6 Ų127.671%0.70876%0.755SS**  trans-102.6165.6-135.437.9-36.6000116.1K127P125-K127 PolarHBondContact O-N 2.97Å
126L48.5Very low44.5Very low181 Ų181127.1 Ų127.195%0.94876%0.755SS**  trans-41.6120.4163.6-75.8152.5000112.2
127K42.7Very low46.8Very low197 Ų197126.9 Ų126.986%0.85775%0.754SS**  trans-115.4131.4159-73-174.4-179.4178.20109.2P125P125-K127 PolarHBondContact O-N 2.97Å
128K43.4Very low48.9Very low191 Ų191124.4 Ų124.483%0.8374%0.743SS**PPolyproline II helixtrans-46.8155.6-178.3-60.8176.6-178.9-178.90113.3K130K128-K130 PolarHBondContact O-N 3.35Å; K128-K130 VanDerWaalsContact O-N 3.12Å
129P43Very low51.6Low129 Ų129123.7 Ų123.784%0.83873%0.726SS**PPolyproline II helixtrans-62117.8178.128-33.3000108.8
130K42.5Very low54.3Low207 Ų207122 Ų12290%0.971%0.709SS**PPolyproline II helixtrans-76.5128164.7-79.6-174175-173.50107.1K128K128-K130 PolarHBondContact O-N 3.35Å; K128-K130 VanDerWaalsContact O-N 3.12Å
131G47.6Very low57.1Low72 Ų72122.3 Ų122.374%0.74270%0.697SS**PPolyproline II helixtrans-50.9147.6-171.600000112.7S133G131-S133 PolarHBondContact O-N 3.33Å
132L52.2Low59.8Low179 Ų179125.6 Ų125.694%0.93769%0.693SS**  trans-48110.5160.2-64.6156.6000106.9S134L132-S134 PolarHBondContact O-N 3.28Å; L132-S134 VanDerWaalsContact O-N 3.13Å
133S54.3Low62.6Low62 Ų62124.4 Ų124.443%0.43467%0.671SS.*  trans-56.6120.4171.353.60000107G131G131-S133 PolarHBondContact O-N 3.33Å
134S67.3Low65.2Low65 Ų65125.9 Ų125.946%0.45566%0.656SS.*  trans-53.7145.5174176.40000108.9L132 E136 E137 L138L132-S134 PolarHBondContact O-N 3.28Å; L132-S134 VanDerWaalsContact O-N 3.13Å; S134-E136 PolarHBondContact O-N 3.48Å; S134-E136 PolarHBondContact OG-N 2.88Å; S134-E137 PolarHBondContact O-N 3.02Å; S134-L138 PolarHBondContact O-N 3.43Å
135S71.8Confident67.4Low86 Ų86123.2 Ų123.260%0.60164%0.64SS**Hα-helixtrans-48.3-34.1173.9-173.20000111.7L138 E139S135-L138 PolarHBondContact O-N 3.44Å; S135-E139 WeakPolarHBondContact O-CG 3.27Å; S135-E139 PolarHBondContact O-N 2.98Å; S135-E139 VanDerWaalsContact O-N 3.11Å
136E78.6Confident69.5Low130 Ų130122.6 Ų122.661%0.60763%0.631SS**Hα-helixtrans-63.3-38.5176.8-172.9-178.5179.200113.6S134 E139 L140S134-E136 PolarHBondContact O-N 3.48Å; S134-E136 PolarHBondContact OG-N 2.88Å; E136-E139 PolarHBondContact O-N 3.42Å; E136-L140 WeakPolarHBondContact O-CG 3.27Å; E136-L140 PolarHBondContact O-N 2.95Å
137E78.7Confident71.4Confident114 Ų114119.8 Ų119.853%0.53361%0.613SS.*Hα-helixtrans-72.4-34.7-178.3-163.9173.8-171.100111.3S134 E139 L140 E141S134-E137 PolarHBondContact O-N 3.02Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E137-L140 PolarHBondContact O-N 2.89Å; E137-E141 PolarHBondContact O-N 3.12Å
138L78.6Confident73.7Confident96 Ų96118.1 Ų118.150%0.50360%0.601SS.*Hα-helixtrans-66.5-35.4171.2-79.1165000111.8S134 S135 E141 R142S134-L138 PolarHBondContact O-N 3.43Å; S135-L138 PolarHBondContact O-N 3.44Å; L138-E141 PolarHBondContact O-N 3.03Å; L138-R142 WeakPolarHBondContact O-CB 3.39Å; L138-R142 PolarHBondContact O-N 3.17Å
139E84.4Confident76Confident112 Ų112114.8 Ų114.852%0.52359%0.589SS.*Hα-helixtrans-68.5-41.7173.7-75.3-174.6177.300112S135 E136 E137 E141 R142 I143S135-E139 WeakPolarHBondContact O-CG 3.27Å; S135-E139 PolarHBondContact O-N 2.98Å; S135-E139 VanDerWaalsContact O-N 3.11Å; E136-E139 PolarHBondContact O-N 3.42Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E139-E141 VanDerWaalsContact C-N 3.31Å; E139-E141 PolarHBondContact O-N 2.85Å; E139-R142 WeakPolarHBondContact O-CB 3.36Å; E139-R142 PolarHBondContact O-N 3.12Å; E139-I143 VanDerWaalsContact O-CG1 3.27Å; E139-I143 WeakPolarHBondContact O-CG1 3.21Å; E139-I143 PolarHBondContact O-N 3.25Å
140L85.6Confident78.4Confident87 Ų87112.7 Ų112.746%0.45557%0.573SS.*Hα-helixtrans-65.8-32.1174.9-70.7174.4000112.9E136 E137 R144E136-L140 WeakPolarHBondContact O-CG 3.27Å; E136-L140 PolarHBondContact O-N 2.95Å; E137-L140 PolarHBondContact O-N 2.89Å; L140-R144 WeakPolarHBondContact O-CB 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.33Å; L140-R144 PolarHBondContact O-N 2.91Å; L140-R144 VanDerWaalsContact O-N 3.08Å; L140-R144 PolarHBondContact O-NE 2.89Å
141E88.4Confident80.8Confident122 Ų122105.6 Ų105.657%0.5755%0.553SS**Hα-helixtrans-70.9-40.8172.7-172168.8-155.500111.6E137 L138 E139 R144 S145E137-E141 PolarHBondContact O-N 3.12Å; L138-E141 PolarHBondContact O-N 3.03Å; E139-E141 VanDerWaalsContact C-N 3.31Å; E139-E141 PolarHBondContact O-N 2.85Å; E141-R144 PolarHBondContact O-N 3.02Å; E141-S145 PolarHBondContact O-N 3.38Å
142R89.9Confident83Confident177 Ų177107.1 Ų107.167%0.66854%0.544SS*.Hα-helixtrans-60.8-45.1173.6177.5-179.5-91.3175.2-6.4111.4L138 E139 S145 L146L138-R142 WeakPolarHBondContact O-CB 3.39Å; L138-R142 PolarHBondContact O-N 3.17Å; E139-R142 WeakPolarHBondContact O-CB 3.36Å; E139-R142 PolarHBondContact O-N 3.12Å; R142-S145 WeakPolarHBondContact O-CB 3.43Å; R142-S145 PolarHBondContact O-N 3.41Å; R142-L146 HydrophobicContact CG-CD1 4.02Å; R142-L146 PolarHBondContact O-N 3.49Å
143I89.4Confident84.7Confident82 Ų82103.7 Ų103.742%0.42152%0.523SS..Hα-helixtrans-62.6-44177.2-67.5163.8000110.6E139 S145 L146 Q147E139-I143 VanDerWaalsContact O-CG1 3.27Å; E139-I143 WeakPolarHBondContact O-CG1 3.21Å; E139-I143 PolarHBondContact O-N 3.25Å; I143-S145 VanDerWaalsContact C-N 3.32Å; I143-S145 PolarHBondContact O-N 3.09Å; I143-L146 PolarHBondContact O-N 2.87Å; I143-Q147 HydrophobicContact CG2-CG 4.42Å; I143-Q147 VanDerWaalsContact O-CG 3.32Å; I143-Q147 WeakPolarHBondContact O-CG 3.4Å; I143-Q147 PolarHBondContact O-N 2.87Å
144R91.2Very high86.4Confident125 Ų125109.2 Ų109.247%0.47253%0.534SS..Hα-helixtrans-63-36.9175.7-82.3-177.1-79.5-176.9-4.9112.7L140 E141 R148L140-R144 WeakPolarHBondContact O-CB 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.33Å; L140-R144 PolarHBondContact O-N 2.91Å; L140-R144 VanDerWaalsContact O-N 3.08Å; L140-R144 PolarHBondContact O-NE 2.89Å; E141-R144 PolarHBondContact O-N 3.02Å; R144-R148 WeakPolarHBondContact O-CG 3.19Å; R144-R148 PolarHBondContact O-N 3.35Å; R144-R148 VanDerWaalsContact O-N 3.12Å
145S90.4Very high87.5Confident64 Ų64114.9 Ų114.945%0.44855%0.545SS..Hα-helixtrans-64.9-46.5174.9-169.80000111.6E141 R142 I143 Q147 R148 E149E141-S145 PolarHBondContact O-N 3.38Å; R142-S145 WeakPolarHBondContact O-CB 3.43Å; R142-S145 PolarHBondContact O-N 3.41Å; I143-S145 VanDerWaalsContact C-N 3.32Å; I143-S145 PolarHBondContact O-N 3.09Å; S145-Q147 PolarHBondContact O-N 3.2Å; S145-R148 PolarHBondContact O-N 3.2Å; S145-E149 PolarHBondContact O-N 3.31Å
146L90.5Very high88.5Confident96 Ų96117.7 Ų117.750%0.50355%0.547SS..Hα-helixtrans-59.4-44.8176.1-92.6146.2000111.8R142 I143 R148 E149 V150R142-L146 HydrophobicContact CG-CD1 4.02Å; R142-L146 PolarHBondContact O-N 3.49Å; I143-L146 PolarHBondContact O-N 2.87Å; L146-R148 VanDerWaalsContact C-N 3.35Å; L146-R148 PolarHBondContact O-N 3.44Å; L146-E149 PolarHBondContact O-N 3.04Å; L146-V150 VanDerWaalsContact O-CG2 3.32Å; L146-V150 WeakPolarHBondContact O-CG2 2.92Å; L146-V150 PolarHBondContact O-N 3.36Å
147Q88.9Confident88.8Confident123 Ų123115.7 Ų115.758%0.57554%0.54SS*.Hα-helixtrans-62.2-39.8177.5-73174.3-9.600112.4I143 S145 A151I143-Q147 HydrophobicContact CG2-CG 4.42Å; I143-Q147 VanDerWaalsContact O-CG 3.32Å; I143-Q147 WeakPolarHBondContact O-CG 3.4Å; I143-Q147 PolarHBondContact O-N 2.87Å; S145-Q147 PolarHBondContact O-N 3.2Å; Q147-A151 WeakPolarHBondContact O-CB 3.44Å; Q147-A151 PolarHBondContact O-N 2.94Å
148R91.5Very high89.4Confident161 Ų161116.3 Ų116.361%0.60854%0.543SS*.Hα-helixtrans-65.6-40.2174.8-72.1-179.2-152.81403.1112.2R144 S145 L146 A151 L152R144-R148 WeakPolarHBondContact O-CG 3.19Å; R144-R148 PolarHBondContact O-N 3.35Å; R144-R148 VanDerWaalsContact O-N 3.12Å; S145-R148 PolarHBondContact O-N 3.2Å; L146-R148 VanDerWaalsContact C-N 3.35Å; L146-R148 PolarHBondContact O-N 3.44Å; R148-A151 PolarHBondContact O-N 3.25Å; R148-L152 WeakPolarHBondContact O-CG 3.48Å; R148-L152 PolarHBondContact O-N 3.18Å
149E91.3Very high89.7Confident122 Ų122114.6 Ų114.657%0.5754%0.543SS*.Hα-helixtrans-64.9-44.9178.7-170.3172.2-175.500111.4S145 L146 A151 L152 H153S145-E149 PolarHBondContact O-N 3.31Å; L146-E149 PolarHBondContact O-N 3.04Å; E149-A151 VanDerWaalsContact C-N 3.34Å; E149-A151 PolarHBondContact O-N 2.86Å; E149-L152 PolarHBondContact O-N 3.19Å; E149-H153 PolarHBondContact O-N 2.97Å
150V94.3Very high89.4Confident84 Ų84112.7 Ų112.751%0.50954%0.542SS..Hα-helixtrans-60.3-42.9174.8172.10000111.4L146 L152 H153 R154L146-V150 VanDerWaalsContact O-CG2 3.32Å; L146-V150 WeakPolarHBondContact O-CG2 2.92Å; L146-V150 PolarHBondContact O-N 3.36Å; V150-L152 PolarHBondContact O-N 3.45Å; V150-H153 PolarHBondContact O-N 3.05Å; V150-R154 PolarHBondContact O-N 3.42Å
151A91.7Very high89.4Confident58 Ų58116.2 Ų116.248%0.47955%0.55SS..Hα-helixtrans-63.7-40.4177.100000112.4Q147 R148 E149 H153 R154 R155Q147-A151 WeakPolarHBondContact O-CB 3.44Å; Q147-A151 PolarHBondContact O-N 2.94Å; R148-A151 PolarHBondContact O-N 3.25Å; E149-A151 VanDerWaalsContact C-N 3.34Å; E149-A151 PolarHBondContact O-N 2.86Å; A151-H153 VanDerWaalsContact C-N 3.34Å; A151-R154 PolarHBondContact O-N 3.1Å; A151-R155 PolarHBondContact O-N 2.92Å
152L93.3Very high89.3Confident104 Ų104118.1 Ų118.155%0.54556%0.556SS.*Hα-helixtrans-64.9-38.7174.3-75.1176.3000111.9R148 E149 V150 R155 K156R148-L152 WeakPolarHBondContact O-CG 3.48Å; R148-L152 PolarHBondContact O-N 3.18Å; E149-L152 PolarHBondContact O-N 3.19Å; V150-L152 PolarHBondContact O-N 3.45Å; L152-R155 PolarHBondContact O-N 3.46Å; L152-K156 WeakPolarHBondContact O-CG 3.38Å; L152-K156 PolarHBondContact O-N 3.46Å
153H89.1Confident88.7Confident108 Ų108112.7 Ų112.750%0.555%0.55SS..Hα-helixtrans-66.7-41.4178.2-138.8-66.1000111.8E149 V150 A151 R155 K156 N157E149-H153 PolarHBondContact O-N 2.97Å; V150-H153 PolarHBondContact O-N 3.05Å; A151-H153 VanDerWaalsContact C-N 3.34Å; H153-R155 PolarHBondContact O-N 2.89Å; H153-K156 PolarHBondContact O-N 3.48Å; H153-N157 VanDerWaalsContact O-CG 3.26Å; H153-N157 PolarHBondContact O-N 3.35Å; H153-N157 PolarHBondContact O-OD1 3.09Å
154R89.1Confident88.1Confident177 Ų177112.6 Ų112.667%0.66856%0.561SS**Hα-helixtrans-58.5-46.3171.8-80.1-170.6170.7-163.4-1.7111.8V150 A151 K156 N157 E158V150-R154 PolarHBondContact O-N 3.42Å; A151-R154 PolarHBondContact O-N 3.1Å; R154-K156 VanDerWaalsContact C-N 3.35Å; R154-K156 PolarHBondContact O-N 3.29Å; R154-N157 PolarHBondContact O-N 3.18Å; R154-N157 VanDerWaalsContact O-N 3.16Å; R154-E158 WeakPolarHBondContact O-CG 3.26Å; R154-E158 PolarHBondContact O-N 3.03Å
155R91.9Very high87.6Confident185 Ų185112.5 Ų112.570%0.69857%0.569SS**Hα-helixtrans-61.9-39.3178.3-170.2178.9179.4178.21112.9A151 L152 H153 A159A151-R155 PolarHBondContact O-N 2.92Å; L152-R155 PolarHBondContact O-N 3.46Å; H153-R155 PolarHBondContact O-N 2.89Å; R155-A159 WeakPolarHBondContact O-CB 3.48Å; R155-A159 PolarHBondContact O-N 3.11Å
156K90.9Very high87Confident145 Ų145113.3 Ų113.363%0.6358%0.58SS**Hα-helixtrans-64.8-43.1174.4-74.5178179.6-178.90111.4L152 H153 R154 A159 S160L152-K156 WeakPolarHBondContact O-CG 3.38Å; L152-K156 PolarHBondContact O-N 3.46Å; H153-K156 PolarHBondContact O-N 3.48Å; R154-K156 VanDerWaalsContact C-N 3.35Å; R154-K156 PolarHBondContact O-N 3.29Å; K156-A159 PolarHBondContact O-N 3.28Å; K156-S160 PolarHBondContact O-N 2.95Å
157N86.7Confident85.3Confident88 Ų88111.2 Ų111.247%0.47158%0.582SS.*Hα-helixtrans-63.6-45.4178.3-70.34.5000111.1H153 R154 A159 S160 Y161H153-N157 VanDerWaalsContact O-CG 3.26Å; H153-N157 PolarHBondContact O-N 3.35Å; H153-N157 PolarHBondContact O-OD1 3.09Å; R154-N157 PolarHBondContact O-N 3.18Å; R154-N157 VanDerWaalsContact O-N 3.16Å; N157-A159 VanDerWaalsContact C-N 3.33Å; N157-A159 PolarHBondContact O-N 3.1Å; N157-S160 PolarHBondContact O-N 3.35Å; N157-S160 PolarHBondContact O-OG 2.72Å; N157-Y161 WeakPolarHBondContact O-CB 3.37Å; N157-Y161 PolarHBondContact O-N 3.37Å
158E90.5Very high84.2Confident127 Ų127113.2 Ų113.259%0.59360%0.596SS**Hα-helixtrans-58.3-42.3174.1-72.8168.5-16500112.3R154 Y161 K162R154-E158 WeakPolarHBondContact O-CG 3.26Å; R154-E158 PolarHBondContact O-N 3.03Å; E158-Y161 PolarHBondContact O-N 3.03Å; E158-K162 WeakPolarHBondContact O-CB 3.43Å; E158-K162 PolarHBondContact O-N 3.26Å
159A85.3Confident82.6Confident59 Ų59110.9 Ų110.949%0.48860%0.602SS.*Hα-helixtrans-65.8-40.9176.900000112.4R155 K156 N157 K162 A163R155-A159 WeakPolarHBondContact O-CB 3.48Å; R155-A159 PolarHBondContact O-N 3.11Å; K156-A159 PolarHBondContact O-N 3.28Å; N157-A159 VanDerWaalsContact C-N 3.33Å; N157-A159 PolarHBondContact O-N 3.1Å; A159-K162 PolarHBondContact O-N 3.03Å; A159-A163 WeakPolarHBondContact O-CB 3.39Å; A159-A163 PolarHBondContact O-N 3.11Å
160S77.1Confident80.6Confident72 Ų72110.8 Ų110.850%0.50361%0.612SS.*Hα-helixtrans-66.5-40.7176.372.70000112.2K156 N157 K162 A163 A164K156-S160 PolarHBondContact O-N 2.95Å; N157-S160 PolarHBondContact O-N 3.35Å; N157-S160 PolarHBondContact O-OG 2.72Å; S160-K162 VanDerWaalsContact C-N 3.34Å; S160-K162 PolarHBondContact O-N 2.92Å; S160-A163 PolarHBondContact O-N 3.04Å; S160-A164 PolarHBondContact O-N 3.48Å
161Y86.6Confident78.5Confident161 Ų161112.7 Ų112.763%0.63163%0.626SS**Hα-helixtrans-62-43.7174.9179.8-106.7000110.9N157 E158 A163 A164 L165N157-Y161 WeakPolarHBondContact O-CB 3.37Å; N157-Y161 PolarHBondContact O-N 3.37Å; E158-Y161 PolarHBondContact O-N 3.03Å; Y161-A163 PolarHBondContact O-N 3.02Å; Y161-A164 PolarHBondContact O-N 2.93Å; Y161-L165 HydrophobicContact CD1-CD1 4.01Å; Y161-L165 HydrophobicContact CE1-CD1 3.51Å; Y161-L165 HydrophobicContact CE1-CG 4.48Å; Y161-L165 HydrophobicContact CE2-CD1 4.44Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 3.39Å; Y161-L165 VanDerWaalsContact O-N 3.09Å
162K85.5Confident76.5Confident162 Ų162119.8 Ų119.870%0.70465%0.646SS**Hα-helixtrans-64.5-36.7175.4-167.5175.5-178.2177.40112.8E158 A159 S160 A166E158-K162 WeakPolarHBondContact O-CB 3.43Å; E158-K162 PolarHBondContact O-N 3.26Å; A159-K162 PolarHBondContact O-N 3.03Å; S160-K162 VanDerWaalsContact C-N 3.34Å; S160-K162 PolarHBondContact O-N 2.92Å; K162-A166 PolarHBondContact O-N 3.02Å
163A78.4Confident74Confident64 Ų64124.8 Ų124.853%0.52966%0.663SS.*Hα-helixtrans-70.6-38.3176.400000112.5A159 S160 Y161 L165 A166A159-A163 WeakPolarHBondContact O-CB 3.39Å; A159-A163 PolarHBondContact O-N 3.11Å; S160-A163 PolarHBondContact O-N 3.04Å; Y161-A163 PolarHBondContact O-N 3.02Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 PolarHBondContact O-N 3.21Å; A163-A166 PolarHBondContact O-N 2.93Å
164A76.9Confident71.9Confident80 Ų80128.3 Ų128.366%0.66168%0.682SS**Hα-helixtrans-63.4-39.9175.200000111.9S160 Y161 A166S160-A164 PolarHBondContact O-N 3.48Å; Y161-A164 PolarHBondContact O-N 2.93Å; A164-A166 VanDerWaalsContact C-N 3.25Å; A164-A166 PolarHBondContact O-N 3.45Å
165L79.4Confident69.9Low123 Ų123128.3 Ų128.364%0.64469%0.694SS**Hα-helixtrans-68.4-21.7175.1-72.3175.1000113.6Y161 A163 G167Y161-L165 HydrophobicContact CD1-CD1 4.01Å; Y161-L165 HydrophobicContact CE1-CD1 3.51Å; Y161-L165 HydrophobicContact CE1-CG 4.48Å; Y161-L165 HydrophobicContact CE2-CD1 4.44Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 3.39Å; Y161-L165 VanDerWaalsContact O-N 3.09Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 PolarHBondContact O-N 3.21Å; L165-G167 PolarHBondContact O-N 3.16Å
166A77.2Confident67.7Low80 Ų80125.9 Ų125.966%0.66170%0.7SS**THydrogen-bonded Turntrans-77.6-14.4-176.400000114.5K162 A163 A164K162-A166 PolarHBondContact O-N 3.02Å; A163-A166 PolarHBondContact O-N 2.93Å; A164-A166 VanDerWaalsContact C-N 3.25Å; A164-A166 PolarHBondContact O-N 3.45Å
167G56.8Low65.9Low53 Ų53124.7 Ų124.755%0.54671%0.71SS.*  trans59.9112.7172.200000115.8L165L165-G167 PolarHBondContact O-N 3.16Å
168N64.4Low63.8Low164 Ų164127.2 Ų127.288%0.87773%0.729SS**PPolyproline II helixtrans-79.6134179.5-72.8-47.3000112.7
169P57.9Low61.6Low112 Ų112127.4 Ų127.473%0.72774%0.739SS**PPolyproline II helixtrans-72.9149173.329.4-33.4000111.9
170P49.8Very low60.2Low121 Ų121130.7 Ų130.779%0.78675%0.753SS**PPolyproline II helixtrans-71.1141.3-170.626.9-33.9000113.3
171P49.2Very low59.1Low124 Ų124132.7 Ų132.781%0.80576%0.764SS**PPolyproline II helixtrans-78.7136.6-176.529.6-33.1000113.1
172K51Low57.5Low206 Ų206134.4 Ų134.490%0.89678%0.775SS**PPolyproline II helixtrans-70.4128.8175.9-68.9177.6178.7175.90110.9
173K40.8Very low56.5Low209 Ų209133.2 Ų133.291%0.90978%0.776SS**PPolyproline II helixtrans-76.3133.4178.7-61.6-174.5179.3-178.60111
174M45Very low55.8Low182 Ų182138 Ų13890%0.89779%0.785SS**  trans-104.6133.9168.9-68.7-164.370.600110.7
175L45.8Very low55.1Low177 Ų177145.9 Ų145.993%0.92780%0.798SS**PPolyproline II helixtrans-83.8130.4-177.9-146.779000110
176T47.2Very low54.4Low134 Ų134146.8 Ų146.882%0.82280%0.797SS**PPolyproline II helixtrans-101.3143.9174.440.60000110.8
177S52.1Low53.3Low120 Ų120150.4 Ų150.484%0.83981%0.805SS**PPolyproline II helixtrans-78.5146.4-172.446.60000113.9
178V42.2Very low53.2Low142 Ų142152.6 Ų152.686%0.86181%0.808SS**PPolyproline II helixtrans-81.3140.5-174.7178.20000111.8
179T45.6Very low52.7Low130 Ų130151.2 Ų151.280%0.79880%0.8SS**PPolyproline II helixtrans-97.1139.9179.8-48.30000111.5
180V55.1Low52.7Low129 Ų129151.1 Ų151.178%0.78280%0.802SS**PPolyproline II helixtrans-88.9136.5-177.2179.40000111.7
181P53.4Low53.1Low114 Ų114155.7 Ų155.774%0.7480%0.804SS**PPolyproline II helixtrans-81.6148.7178.431-30.9000112.8
182K53.6Low52.9Low197 Ų197157.2 Ų157.286%0.85780%0.803SS**  trans-118122.3177.8-169172.9-174.4173.50109.1
183D65.6Low52.6Low137 Ų137157.3 Ų157.373%0.73380%0.804SS**PPolyproline II helixtrans-73.2148.6-173-68.8-27.5000113.8
184F61.9Low52.3Low163 Ų163151.7 Ų151.772%0.71580%0.797SS**PPolyproline II helixtrans-85.8132-173.90.4-90.3000111.4F186F184-F186 HydrophobicContact CB-CE2 4.35Å; F184-F186 HydrophobicContact CD2-CE2 4.12Å
185R63.4Low52.3Low246 Ų246149.4 Ų149.493%0.92880%0.795SS**PPolyproline II helixtrans-93.6121172.1-69.5-173.6176.5-146.8-1.2110.3
186F63.6Low51.7Low143 Ų143146 Ų14663%0.62779%0.793SS**PPolyproline II helixtrans-91.9140.2177.3-77.1-91.5000111.4F184 T188 D189F184-F186 HydrophobicContact CB-CE2 4.35Å; F184-F186 HydrophobicContact CD2-CE2 4.12Å; F186-T188 PolarHBondContact O-N 3.36Å; F186-D189 PolarHBondContact O-N 2.84Å
187N55Low51.1Low156 Ų156144.8 Ų144.883%0.83479%0.79SS**G310 helixtrans-63.3-5.5-179.9-74.5-38.9000114.6S190N187-S190 PolarHBondContact O-OG 2.97Å; N187-S190 VanDerWaalsContact O-OG 3.05Å
188T53.9Low50.4Low99 Ų99143.7 Ų143.761%0.60778%0.782SS**G310 helixtrans-79.4-16.717949.20000114.1F186 S190 R191F186-T188 PolarHBondContact O-N 3.36Å; T188-S190 PolarHBondContact O-N 3.21Å; T188-R191 WeakPolarHBondContact O-CB 3.29Å; T188-R191 PolarHBondContact O-N 2.96Å; T188-R191 VanDerWaalsContact O-N 3.16Å
189D53.8Low50.1Low135 Ų135144.2 Ų144.272%0.72278%0.78SS**G310 helixtrans-66.6-16177.4-96.2-15.3000113.5F186 R191F186-D189 PolarHBondContact O-N 2.84Å; D189-R191 VanDerWaalsContact C-N 3.32Å
190S59.6Low49.4Very low109 Ų109142.5 Ų142.576%0.76278%0.779SS**G310 helixtrans-85-0.6176.164.50000114.2N187 T188N187-S190 PolarHBondContact O-OG 2.97Å; N187-S190 VanDerWaalsContact O-OG 3.05Å; T188-S190 PolarHBondContact O-N 3.21Å
191R56.3Low48.6Very low218 Ų218141.1 Ų141.182%0.82378%0.775SS**  trans-104.926.8-167.3-151.4-174.2-164150.28.5115.3T188 D189T188-R191 WeakPolarHBondContact O-CB 3.29Å; T188-R191 PolarHBondContact O-N 2.96Å; T188-R191 VanDerWaalsContact O-N 3.16Å; D189-R191 VanDerWaalsContact C-N 3.32Å
192I45.2Very low47.7Very low155 Ų155144.2 Ų144.280%0.79578%0.78SS**  trans-12693.6171.30.9173.6000108.7
193K44.7Very low47.1Very low208 Ų208143.9 Ų143.990%0.90478%0.778SS**  trans-120123.4169.3-166.6160.5-177174.70108.4
194A34.9Very low45.9Very low92 Ų92145.7 Ų145.776%0.7678%0.782SS**  trans-65.6159-173.200000113.6
195P45.1Very low44.8Very low133 Ų133143.6 Ų143.686%0.86478%0.783SS**  trans-88.1146.5-167.234.9-33.1000113.3
196A33.4Very low44Very low107 Ų107136.4 Ų136.488%0.88476%0.763SS**  trans-131.3137.3163.400000110.4
197S35.3Very low43.5Very low107 Ų107137.7 Ų137.775%0.74877%0.768SS**  trans-78.4148.6-170.9171.80000113.7
198S37.7Very low43.6Very low97 Ų97135.6 Ų135.668%0.67876%0.756SS**  148.6122.9115.160.10000115.5
199N34.1Very low43.6Very low153 Ų153135.1 Ų135.182%0.81876%0.757SS**  trans62135.8130.1-60.4-35000125.2
200A32Very low43.8Very low95 Ų95137.3 Ų137.379%0.78576%0.763SS**  trans71.4141.5141.200000117.6
201S37.7Very low43.4Very low99 Ų99138.5 Ų138.569%0.69276%0.76SS**  cis-175.3142.26.639.40000109.2
202Q35.1Very low43.6Very low179 Ų179137.4 Ų137.484%0.83676%0.756SS**  trans42.6124138.6-62.8179.7-25.700122.8
203K40.7Very low43.6Very low190 Ų190138.6 Ų138.683%0.82676%0.758SS**  159.4111.1118.6-90.3176.6177.5179.30108.3
204E40.7Very low43.6Very low175 Ų175134.3 Ų134.382%0.81875%0.751SS**  70.7132.269.8-144.8-174.8-163.100114.2
205V39.2Very low43.8Very low119 Ų119135 Ų13572%0.72175%0.75SS**  trans85.7136.9162.2-159.20000115.8
206D45.7Very low43.8Very low95 Ų95133.7 Ų133.751%0.50875%0.745SS.*  cis-155.7131.53.1-145.7-34.8000109.8I208 S209D206-I208 VanDerWaalsContact C-N 3.3Å; D206-I208 PolarHBondContact O-N 2.8Å; D206-S209 PolarHBondContact O-OG 3.19Å
207F53.4Low44.4Very low170 Ų170134.8 Ų134.875%0.74674%0.742SS**THydrogen-bonded Turntrans-77.6-16.2-179.8-174.2-105.6000113L211F207-L211 HydrophobicContact CE1-CD1 4.25Å
208I56.8Low44.7Very low113 Ų113134.3 Ų134.358%0.57975%0.745SS**THydrogen-bonded Turntrans-83.6-18.4-172.4-60.1175.6000112D206D206-I208 VanDerWaalsContact C-N 3.3Å; D206-I208 PolarHBondContact O-N 2.8Å
209S55.4Low45Very low89 Ų89139.7 Ų139.762%0.62276%0.756SS**SBendtrans-84.4-18.3-176.461.90000114.9D206D206-S209 PolarHBondContact O-OG 3.19Å
210Q58Low45.4Very low181 Ų181136.4 Ų136.485%0.84675%0.75SS**THydrogen-bonded Turntrans-87.4-12.3177.2-93.9-179.33.800114.5R212Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.12Å
211L50.1Low46.4Very low134 Ų134143.9 Ų143.970%0.70276%0.758SS**THydrogen-bonded Turntrans-88.66.4-178.6-72.9171.3000114.2F207F207-L211 HydrophobicContact CE1-CD1 4.25Å
212R60Low47.1Very low195 Ų195148.9 Ų148.974%0.73677%0.767SS**  trans-13581.6177.6-62.6-175.5-164.71745.1111.3Q210Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.12Å
213Q46.5Very low48.2Very low180 Ų180143.8 Ų143.884%0.84176%0.763SS**  trans-148.8130.8143.3-76.2-49.6-4200111
214P43.8Very low48.8Very low118 Ų118139.8 Ų139.877%0.76677%0.766SS**  trans-82.9159.7-170.633-35.3000114.5
215S38.8Very low49.2Very low106 Ų106137.9 Ų137.974%0.74177%0.766SS**  trans-72.9142.318054.40000114.1
216S44.9Very low50Low106 Ų106138.4 Ų138.474%0.74177%0.769SS**  trans73145.815166.70000120.7
217P45.8Very low50.3Low129 Ų129139.2 Ų139.284%0.83878%0.78SS**  trans-109.2119.5147.433.3-21.7000110.6
218A41.4Very low50.3Low97 Ų97140.1 Ų140.180%0.80278%0.783SS**  trans-78.1130.3165.900000110.8
219K44Very low50.4Low211 Ų211140.3 Ų140.392%0.91779%0.792SS**  trans-153.7144.8158.2-85179.6179.8172.70106.7
220A44.1Very low50.4Low84 Ų84143.9 Ų143.969%0.69480%0.796SS**  cis-163.2151.2-19.700000104.3K222A220-K222 PolarHBondContact O-N 2.78Å
221R53.1Low50.2Low252 Ų252143.1 Ų143.195%0.95180%0.798SS**  trans-66129.1179.3-64.7-178.3173.6-163.7-1.8110.3
222K51.9Low50.1Low203 Ų203143.4 Ų143.488%0.88380%0.8SS**  trans-127.2133.6164.4-70.5-169.8178.6-173.70109.5A220A220-K222 PolarHBondContact O-N 2.78Å
223G57.6Low49.9Very low73 Ų73139.8 Ų139.875%0.75380%0.804SS**  trans-71.1-178.8-164.300000116.6T225G223-T225 PolarHBondContact O-N 3.06Å
224A54.7Low49.8Very low106 Ų106136 Ų13688%0.87680%0.804SS**  trans-68.7116.6-170.200000113
225T47.8Very low49.7Very low134 Ų134132.9 Ų132.982%0.82279%0.794SS**  trans-95114169.7-55.60000109.4G223 P227G223-T225 PolarHBondContact O-N 3.06Å; T225-P227 WeakPolarHBondContact O-CD 3.27Å
226V55.8Low50.3Low130 Ų130136.4 Ų136.479%0.78880%0.798SS**  trans-71.4121.2172.3177.90000109K228V226-K228 PolarHBondContact O-N 3.21Å
227P52Low50.3Low113 Ų113140.3 Ų140.373%0.73480%0.802SS**  trans-75115.3177.528.3-31.3000110.6T225T225-P227 WeakPolarHBondContact O-CD 3.27Å
228K53Low50.4Low188 Ų188140.4 Ų140.482%0.81780%0.795SS**  trans-62.5119.8162.8-174.9172.9-177.5173.90108.3V226 F230V226-K228 PolarHBondContact O-N 3.21Å; K228-F230 PolarHBondContact O-N 2.86Å; K228-F230 VanDerWaalsContact O-N 3.11Å
229P60.4Low50.1Low117 Ų117142.3 Ų142.376%0.7680%0.801SS**  trans-68.3115.2-179.126.9-32.2000108.9
230F54.3Low50Low164 Ų164141.2 Ų141.272%0.71980%0.796SS**  trans-79.8137.6167.952.7-84.8000108.4K228 L232K228-F230 PolarHBondContact O-N 2.86Å; K228-F230 VanDerWaalsContact O-N 3.11Å; F230-L232 HydrophobicContact CD2-CD2 4.14Å; F230-L232 HydrophobicContact CD2-CG 4.3Å; F230-L232 HydrophobicContact CE2-CD2 3.6Å; F230-L232 HydrophobicContact CE2-CG 3.99Å; F230-L232 PolarHBondContact O-N 3.02Å
231N53.9Low50Low165 Ų165146.2 Ų146.288%0.88281%0.805SS**  trans-66.199.9178.9-67.4-40.2000109.4S233N231-S233 PolarHBondContact O-N 2.88Å; N231-S233 VanDerWaalsContact O-N 3.12Å
232L49.1Very low49.7Very low140 Ų140137 Ų13773%0.73379%0.788SS**  trans-64.2110.2162.3-71171.2000106.8F230 A234F230-L232 HydrophobicContact CD2-CD2 4.14Å; F230-L232 HydrophobicContact CD2-CG 4.3Å; F230-L232 HydrophobicContact CE2-CD2 3.6Å; F230-L232 HydrophobicContact CE2-CG 3.99Å; F230-L232 PolarHBondContact O-N 3.02Å; L232-A234 PolarHBondContact O-N 3.15Å
233S54.4Low49.5Very low119 Ų119134 Ų13483%0.83279%0.79SS**  trans-57.695.516353.30000107.4N231 G235N231-S233 PolarHBondContact O-N 2.88Å; N231-S233 VanDerWaalsContact O-N 3.12Å; S233-G235 PolarHBondContact O-N 3.27Å
234A45.6Very low49.4Very low100 Ų100133.7 Ų133.783%0.82679%0.787SS**  trans-64.587.6168.700000107L232 H236L232-A234 PolarHBondContact O-N 3.15Å; A234-H236 PolarHBondContact O-N 3.46Å
235G41.9Very low50.4Low54 Ų54135 Ų13556%0.55778%0.783SS**  trans-52.7129165.400000107.8S233 K237S233-G235 PolarHBondContact O-N 3.27Å; G235-K237 VanDerWaalsContact C-N 3.33Å; G235-K237 PolarHBondContact O-N 2.68Å
236H50.6Low51.7Low179 Ų179138.4 Ų138.483%0.82978%0.783SS**  trans-5391.6177.2-173.5-53.6000110.6A234A234-H236 PolarHBondContact O-N 3.46Å
237K45.6Very low52.8Low189 Ų189134.4 Ų134.482%0.82276%0.758SS**  trans-13697.7170.7-56.9-170.2-173.5-173.90106.7G235G235-K237 VanDerWaalsContact C-N 3.33Å; G235-K237 PolarHBondContact O-N 2.68Å
238N47.1Very low54.7Low131 Ų131131.5 Ų131.570%0.70174%0.741SS**  trans16.5105.8162.9-60-21000114.9K240N238-K240 PolarHBondContact O-N 3.45Å
239C35Very low56.2Low137 Ų137128.8 Ų128.893%0.92673%0.733SS**  trans-55.288.6157.6-76.10000108.5
240K43.3Very low57.3Low188 Ų188126.1 Ų126.182%0.81772%0.72SS**  trans-79.8118.6149.1-68.8-162175.7-170.40104.6N238N238-K240 PolarHBondContact O-N 3.45Å
241E42.3Very low59Low189 Ų189122.9 Ų122.988%0.88371%0.707SS**  trans-43.7146.9172.3-66.6178.2154.300109.8
242G47.4Very low60.6Low58 Ų58120.3 Ų120.360%0.59869%0.69SS**SBendtrans-55.6178.2-175.400000113.6G244G242-G244 VanDerWaalsContact C-N 3.33Å; G242-G244 PolarHBondContact O-N 2.87Å
243P47.8Very low62.3Low140 Ų140117.7 Ų117.791%0.90968%0.676SS**SBendtrans-58.2100.4178.326.4-32.8000108.5V245P243-V245 PolarHBondContact O-N 2.85Å
244G55.7Low63.9Low67 Ų67116.7 Ų116.769%0.69166%0.658SS**  trans-58.7135.1-177.500000108.6G242 Y246G242-G244 VanDerWaalsContact C-N 3.33Å; G242-G244 PolarHBondContact O-N 2.87Å; G244-Y246 PolarHBondContact O-N 3.48Å
245V76Confident65.9Low132 Ų132116.6 Ų116.680%0.864%0.641SS**  trans-42.2127.1163.9176.30000107.5P243 V247P243-V245 PolarHBondContact O-N 2.85Å; V245-V247 WeakPolarHBondContact O-CG2 3.45Å; V245-V247 PolarHBondContact O-N 3.25Å
246Y75.7Confident67.9Low207 Ų207122.3 Ų122.381%0.81265%0.651SS**  trans-59.7114.6-178.9177.8-96.2000108.9G244G244-Y246 PolarHBondContact O-N 3.48Å
247V78.4Confident69.5Low45 Ų45120.7 Ų120.727%0.27364%0.643SS.*  trans-102.9129.3177.2170.60000107V245 Q251 Q252V245-V247 WeakPolarHBondContact O-CG2 3.45Å; V245-V247 PolarHBondContact O-N 3.25Å; V247-Q251 HydrophobicContact CG1-CB 3.62Å; V247-Q251 HydrophobicContact CG1-CG 3.65Å; V247-Q252 HydrophobicContact CG1-CB 4.3Å
248S90.8Very high71.3Confident53 Ų53118.7 Ų118.737%0.37164%0.635SS.*  trans-62.9151.1179.6810000110.6A250 Q251 Q252S248-A250 PolarHBondContact O-N 2.93Å; S248-Q251 PolarHBondContact O-N 3.33Å; S248-Q251 WeakPolarHBondContact OG-CB 3.38Å; S248-Q251 PolarHBondContact OG-N 2.89Å; S248-Q252 PolarHBondContact O-N 2.8Å
249M84.9Confident73.1Confident131 Ų131117.6 Ų117.665%0.64562%0.621SS**Hα-helixtrans-54.7-38.7179.2-16967.167.900111.7Q252 I253M249-Q252 PolarHBondContact O-N 3.32Å; M249-I253 HydrophobicContact CG-CD1 4.08Å; M249-I253 VanDerWaalsContact O-CG1 3.25Å; M249-I253 WeakPolarHBondContact O-CG1 3.26Å; M249-I253 PolarHBondContact O-N 3.03Å
250A83.9Confident75.2Confident61 Ų61114.4 Ų114.450%0.50460%0.597SS.*Hα-helixtrans-61.9-45.8175.400000111.9S248 Q252 I253 E254S248-A250 PolarHBondContact O-N 2.93Å; A250-Q252 VanDerWaalsContact C-N 3.28Å; A250-Q252 PolarHBondContact O-N 2.83Å; A250-I253 PolarHBondContact O-N 2.91Å; A250-E254 PolarHBondContact O-N 3.49Å
251Q89.4Confident77.1Confident95 Ų95109.2 Ų109.244%0.44458%0.582SS.*Hα-helixtrans-66.1-31.9177.3-172.2179.915.600111.8V247 S248 Q255V247-Q251 HydrophobicContact CG1-CB 3.62Å; V247-Q251 HydrophobicContact CG1-CG 3.65Å; S248-Q251 PolarHBondContact O-N 3.33Å; S248-Q251 WeakPolarHBondContact OG-CB 3.38Å; S248-Q251 PolarHBondContact OG-N 2.89Å; Q251-Q255 WeakPolarHBondContact O-CB 3.39Å; Q251-Q255 WeakPolarHBondContact O-CG 3.36Å; Q251-Q255 PolarHBondContact O-N 3.49Å
252Q86.9Confident78.2Confident112 Ų112105.7 Ų105.752%0.52357%0.574SS.*Hα-helixtrans-70.2-38.6175.3-156.2170.627.800112V247 S248 M249 A250 F256V247-Q252 HydrophobicContact CG1-CB 4.3Å; S248-Q252 PolarHBondContact O-N 2.8Å; M249-Q252 PolarHBondContact O-N 3.32Å; A250-Q252 VanDerWaalsContact C-N 3.28Å; A250-Q252 PolarHBondContact O-N 2.83Å; Q252-F256 WeakPolarHBondContact O-CB 3.18Å; Q252-F256 PolarHBondContact O-N 3.2Å
253I85.3Confident79.3Confident85 Ų85113.1 Ų113.144%0.43658%0.584SS.*Hα-helixtrans-67.8-44.5174.7-67.3163.7000110.5M249 A250 Q255 F256 Q257M249-I253 HydrophobicContact CG-CD1 4.08Å; M249-I253 VanDerWaalsContact O-CG1 3.25Å; M249-I253 WeakPolarHBondContact O-CG1 3.26Å; M249-I253 PolarHBondContact O-N 3.03Å; A250-I253 PolarHBondContact O-N 2.91Å; I253-Q255 VanDerWaalsContact C-N 3.35Å; I253-Q255 PolarHBondContact O-N 2.96Å; I253-F256 WeakPolarHBondContact O-CB 3.3Å; I253-F256 PolarHBondContact O-N 3.45Å; I253-F256 VanDerWaalsContact O-N 3.16Å; I253-Q257 WeakPolarHBondContact O-CG 3.47Å; I253-Q257 PolarHBondContact O-N 3.45Å
254E89.3Confident80.5Confident97 Ų97114 Ų11445%0.45357%0.57SS.*Hα-helixtrans-61.5-43.7174.9-82.1-164.9-151.300112.1A250 F256 Q257 K258A250-E254 PolarHBondContact O-N 3.49Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 3.23Å; E254-Q257 PolarHBondContact O-N 2.81Å; E254-K258 VanDerWaalsContact O-CB 3.26Å; E254-K258 WeakPolarHBondContact O-CB 3.33Å; E254-K258 VanDerWaalsContact O-CG 3.32Å; E254-K258 WeakPolarHBondContact O-CG 3.29Å; E254-K258 PolarHBondContact O-N 3.5Å; E254-K258 IonicContact OE2-NZ 3.49Å; E254-K258 PolarHBondContact OE2-NZ 3.04Å
255Q86.4Confident81.4Confident99 Ų99113.5 Ų113.546%0.46355%0.55SS..Hα-helixtrans-60.1-44.2173.6-77.4176.54.600110.4Q251 I253 Q257 K258 R259Q251-Q255 WeakPolarHBondContact O-CB 3.39Å; Q251-Q255 WeakPolarHBondContact O-CG 3.36Å; Q251-Q255 PolarHBondContact O-N 3.49Å; I253-Q255 VanDerWaalsContact C-N 3.35Å; I253-Q255 PolarHBondContact O-N 2.96Å; Q255-Q257 PolarHBondContact O-N 2.77Å; Q255-K258 PolarHBondContact O-N 3.42Å; Q255-R259 WeakPolarHBondContact O-CA 3.21Å; Q255-R259 WeakPolarHBondContact O-CB 3.21Å; Q255-R259 PolarHBondContact O-N 3.29Å
256F83.8Confident81Confident174 Ų174115.9 Ų115.976%0.76356%0.557SS**Hα-helixtrans-61.1-42.2178.7-178-100.8000112.9Q252 I253 E254Q252-F256 WeakPolarHBondContact O-CB 3.18Å; Q252-F256 PolarHBondContact O-N 3.2Å; I253-F256 WeakPolarHBondContact O-CB 3.3Å; I253-F256 PolarHBondContact O-N 3.45Å; I253-F256 VanDerWaalsContact O-N 3.16Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 3.23Å
257Q83.8Confident80.4Confident144 Ų144115.7 Ų115.767%0.67356%0.555SS**Hα-helixtrans-72.7-39.8-179.8-69.2174.4-5.400112.6I253 E254 Q255I253-Q257 WeakPolarHBondContact O-CG 3.47Å; I253-Q257 PolarHBondContact O-N 3.45Å; E254-Q257 PolarHBondContact O-N 2.81Å; Q255-Q257 PolarHBondContact O-N 2.77Å
258K84.4Confident79.6Confident148 Ų148116.8 Ų116.864%0.64357%0.565SS**Hα-helixtrans-89.4-20.5-175.7-62.7173.3-178.8171.10113.1E254 Q255 T260E254-K258 VanDerWaalsContact O-CB 3.26Å; E254-K258 WeakPolarHBondContact O-CB 3.33Å; E254-K258 VanDerWaalsContact O-CG 3.32Å; E254-K258 WeakPolarHBondContact O-CG 3.29Å; E254-K258 PolarHBondContact O-N 3.5Å; E254-K258 IonicContact OE2-NZ 3.49Å; E254-K258 PolarHBondContact OE2-NZ 3.04Å; Q255-K258 PolarHBondContact O-N 3.42Å; K258-T260 PolarHBondContact O-N 3.33Å
259R84.8Confident78.1Confident108 Ų108122.5 Ų122.541%0.40858%0.578SS.*  trans-78.6106.8-176-173.780.8-17674.89110.1Q255 P261 H265Q255-R259 WeakPolarHBondContact O-CA 3.21Å; Q255-R259 WeakPolarHBondContact O-CB 3.21Å; Q255-R259 PolarHBondContact O-N 3.29Å; R259-P261 VanDerWaalsContact O-CD 3.29Å; R259-P261 WeakPolarHBondContact O-CD 3.31Å; R259-H265 PolarHBondContact NH1-CE1 3.29Å; R259-H265 PolarHBondContact NH1-NE2 2.63Å
260T79.8Confident76.7Confident70 Ų70126.8 Ų126.843%0.42959%0.587SS.*  trans-57.5120168.7-46.60000110.5K258 H265K258-T260 PolarHBondContact O-N 3.33Å; T260-H265 PolarHBondContact O-NE2 3.42Å
261P82.4Confident75.4Confident78 Ų78128.1 Ų128.151%0.50659%0.589SS.*  trans-57.4145.1179.3-23.130.8000111R259 R263 Y264R259-P261 VanDerWaalsContact O-CD 3.29Å; R259-P261 WeakPolarHBondContact O-CD 3.31Å; P261-R263 PolarHBondContact O-N 3.19Å; P261-Y264 HydrophobicContact CB-CD2 3.75Å; P261-Y264 HydrophobicContact CB-CE2 4.02Å; P261-Y264 HydrophobicContact CG-CD2 3.88Å; P261-Y264 HydrophobicContact CG-CE2 3.99Å; P261-Y264 PolarHBondContact O-N 2.83Å
262T64.6Low73.9Confident115 Ų115131.3 Ų131.371%0.70660%0.604SS**G310 helixtrans-55.3-27-171.850.30000114.1Y264 H265T262-Y264 PolarHBondContact O-N 2.94Å; T262-H265 PolarHBondContact O-N 3.32Å
263R70.4Confident72.3Confident215 Ų215134.9 Ų134.981%0.81162%0.621SS**G310 helixtrans-61.7-29.4174.3-177.9178.6-71.3-178-1.4113.4P261P261-R263 PolarHBondContact O-N 3.19Å
264Y73.1Confident70.8Confident157 Ų157139.9 Ų139.962%0.61663%0.634SS**G310 helixtrans-96.64.9-177.1-55.8-77.7000112.9P261 T262P261-Y264 HydrophobicContact CB-CD2 3.75Å; P261-Y264 HydrophobicContact CB-CE2 4.02Å; P261-Y264 HydrophobicContact CG-CD2 3.88Å; P261-Y264 HydrophobicContact CG-CE2 3.99Å; P261-Y264 PolarHBondContact O-N 2.83Å; T262-Y264 PolarHBondContact O-N 2.94Å
265H75.6Confident69.3Low57 Ų57137.6 Ų137.626%0.26464%0.637SS.*  trans-81.2120.6168.3-71.5-163.6000109.3R259 T260 T262 R267R259-H265 PolarHBondContact NH1-CE1 3.29Å; R259-H265 PolarHBondContact NH1-NE2 2.63Å; T260-H265 PolarHBondContact O-NE2 3.42Å; T262-H265 PolarHBondContact O-N 3.32Å; H265-R267 PolarHBondContact O-N 3.29Å
266L67.9Low67.7Low182 Ų182139.5 Ų139.595%0.95366%0.658SS**SBendtrans-57-19176.6-10188.2000113.8
267R62Low66.3Low204 Ų204134.6 Ų134.677%0.7765%0.645SS**SBendtrans-135.7133.2176.3-62.1-170.6-179.3-138.4-0.2110.3H265 R269H265-R267 PolarHBondContact O-N 3.29Å; R267-R269 PolarHBondContact O-N 3.38Å
268S62.5Low64.9Low68 Ų68133.8 Ų133.848%0.47665%0.652SS.*  trans-60135.4173.181.80000109.2R270 T271S268-R270 PolarHBondContact O-N 2.89Å; S268-T271 PolarHBondContact O-N 2.98Å; S268-T271 PolarHBondContact O-OG1 3.28Å; S268-T271 PolarHBondContact OG-OG1 3.36Å
269R59.4Low63.1Low173 Ų173133.9 Ų133.965%0.65366%0.659SS**G310 helixtrans-56.5-22175.7-88.3-166.6163.5-165.7-3.8113.1R267 T271 Q272 E273R267-R269 PolarHBondContact O-N 3.38Å; R269-T271 PolarHBondContact O-N 3Å; R269-Q272 PolarHBondContact O-N 3.22Å; R269-Q272 VanDerWaalsContact O-N 3.08Å; R269-E273 PolarHBondContact O-N 2.76Å
270R55.8Low61.6Low220 Ų220138.1 Ų138.183%0.8368%0.681SS**G310 helixtrans-64.2-22176.1-151.6176.1-169.4-1792.4113.9S268S268-R270 PolarHBondContact O-N 2.89Å
271T55.5Low60.3Low90 Ų90138.8 Ų138.855%0.55270%0.701SS**G310 helixtrans-95-7.6174.240.40000113.5S268 R269S268-T271 PolarHBondContact O-N 2.98Å; S268-T271 PolarHBondContact O-OG1 3.28Å; S268-T271 PolarHBondContact OG-OG1 3.36Å; R269-T271 PolarHBondContact O-N 3Å
272Q57.7Low59.1Low162 Ų162143.7 Ų143.776%0.75772%0.717SS**THydrogen-bonded Turntrans-90.9-32.3176.6-131.4-170.512.200112.4R269R269-Q272 PolarHBondContact O-N 3.22Å; R269-Q272 VanDerWaalsContact O-N 3.08Å
273E53.8Low58.6Low187 Ų187146.1 Ų146.187%0.87472%0.72SS**SBendtrans-78.9-20.8173.6-94.2-170168.800113.9R269 G275R269-E273 PolarHBondContact O-N 2.76Å; E273-G275 PolarHBondContact O-N 2.86Å
274R53.3Low58.3Low189 Ų189143.4 Ų143.471%0.71372%0.721SS**SBendtrans-82.594.7166-78-162.6-175.2-159.52.5108
275G58.1Low57.9Low50 Ų50143.9 Ų143.952%0.51573%0.728SS.*  trans-49.1161.5158.400000110.9E273 S277E273-G275 PolarHBondContact O-N 2.86Å; G275-S277 PolarHBondContact O-N 3.1Å
276P53.8Low57.7Low138 Ų138149.6 Ų149.690%0.89676%0.76SS**  trans-57.4105.5-171.824.2-32.8000110.2
277S53.2Low58Low72 Ų72147 Ų14750%0.50375%0.752SS.*  trans-79.3128.8173.666.10000108.5G275 L279G275-S277 PolarHBondContact O-N 3.1Å; S277-L279 VanDerWaalsContact C-N 3.26Å; S277-L279 PolarHBondContact O-N 3.39Å
278P55.6Low58.4Low127 Ų127145.9 Ų145.983%0.82576%0.755SS**  trans-81.275.6-177.934.1-32.4000108.8
279L45.4Very low58.5Low149 Ų149148.8 Ų148.878%0.7877%0.773SS**  trans-113.1106.4172-66.1179.9000109S277S277-L279 VanDerWaalsContact C-N 3.26Å; S277-L279 PolarHBondContact O-N 3.39Å
280K53.5Low59.3Low198 Ų198148.6 Ų148.686%0.86178%0.779SS**  trans-20.7124.3172.3-68.8172175.7179.20113.6Q282K280-Q282 PolarHBondContact O-N 3.22Å; K280-Q282 VanDerWaalsContact O-N 3.16Å
281G52.7Low60Low83 Ų83142.8 Ų142.886%0.85677%0.772SS**  trans-59.8114.8170.700000110.7
282Q57.1Low60.7Low182 Ų182142.9 Ų142.985%0.8577%0.774SS**PPolyproline II helixtrans-77.8126163.2-77.7177.6-18.500108K280 L284K280-Q282 PolarHBondContact O-N 3.22Å; K280-Q282 VanDerWaalsContact O-N 3.16Å; Q282-L284 PolarHBondContact O-N 2.89Å
283H53.4Low61.2Low165 Ų165144.4 Ų144.476%0.76478%0.781SS**PPolyproline II helixtrans-62121.1177.6-168.7-81.4000109.5H285H283-H285 PolarHBondContact O-N 3.4Å
284L65.6Low61.5Low159 Ų159141.2 Ų141.283%0.83277%0.769SS**PPolyproline II helixtrans-72.6128179.8-61.8174.2000109.3Q282Q282-L284 PolarHBondContact O-N 2.89Å
285H65.2Low61.9Low167 Ų167138.8 Ų138.877%0.77377%0.768SS**PPolyproline II helixtrans-80.8145.7171.8-70.2-83.1000110.6H283 T287H283-H285 PolarHBondContact O-N 3.4Å; H285-T287 PolarHBondContact O-N 2.91Å; H285-T287 VanDerWaalsContact O-N 3.17Å
286L70.5Confident62.1Low177 Ų177140.5 Ų140.593%0.92777%0.768SS**  trans-66.4110.2-178.3-166.372.4000110.5
287T74.4Confident62.4Low128 Ų128145.9 Ų145.979%0.78577%0.771SS**  trans-70.9125.1-177.6-46.70000111.3H285H285-T287 PolarHBondContact O-N 2.91Å; H285-T287 VanDerWaalsContact O-N 3.17Å
288Q70.4Confident62.8Low180 Ų180149.8 Ų149.884%0.84178%0.781SS**  trans-78.8127.4168.6-69.4-165.8-10.800110.4H290Q288-H290 PolarHBondContact O-N 3.49Å
289P65.3Low63.2Low129 Ų129153.5 Ų153.584%0.83878%0.779SS**  trans-75.7113.3-17728.9-32.7000110.8
290H74.6Confident64.3Low169 Ų169151 Ų15178%0.78277%0.774SS**PPolyproline II helixtrans-87.3119.5166.2-168-35.4000108.8Q288Q288-H290 PolarHBondContact O-N 3.49Å
291S71.3Confident65Low97 Ų97152.7 Ų152.768%0.67878%0.775SS**PPolyproline II helixtrans-71.6129174.363.50000109.7
292P69.9Low65.5Low93 Ų93156.5 Ų156.560%0.60477%0.77SS**PPolyproline II helixtrans-71.9134.2178.326.1-30.7000110.1L294P292-L294 VanDerWaalsContact C-N 3.27Å; P292-L294 HydrophobicContact CB-CD2 4.14Å; P292-L294 HydrophobicContact CB-CG 4.31Å; P292-L294 HydrophobicContact CG-CD1 4.48Å; P292-L294 HydrophobicContact CG-CD2 4.1Å; P292-L294 HydrophobicContact CG-CG 4.07Å; P292-L294 PolarHBondContact O-N 3.45Å
293Q68.5Low66.1Low193 Ų193152.6 Ų152.690%0.90276%0.761SS**  trans-68.787.8167.6-85.1174.9-26.800109.2M295Q293-M295 PolarHBondContact O-N 3.38Å
294L59.4Low67.4Low120 Ų120150.8 Ų150.863%0.62877%0.767SS**  trans-77.4106.8-178.2-70179.6000110.3P292 T296P292-L294 VanDerWaalsContact C-N 3.27Å; P292-L294 HydrophobicContact CB-CD2 4.14Å; P292-L294 HydrophobicContact CB-CG 4.31Å; P292-L294 HydrophobicContact CG-CD1 4.48Å; P292-L294 HydrophobicContact CG-CD2 4.1Å; P292-L294 HydrophobicContact CG-CG 4.07Å; P292-L294 PolarHBondContact O-N 3.45Å; L294-T296 HydrophobicContact CB-CG2 3.75Å; L294-T296 HydrophobicContact CD1-CG2 4.26Å; L294-T296 HydrophobicContact CG-CG2 4.41Å; L294-T296 PolarHBondContact O-N 2.91Å; L294-T296 PolarHBondContact O-OG1 2.8Å
295M62.4Low68Low138 Ų138148.6 Ų148.668%0.6876%0.759SS**  trans-72.643.5165.3-58.4-16482.300111.8Q293 R297 Q298Q293-M295 PolarHBondContact O-N 3.38Å; M295-R297 PolarHBondContact O-N 2.86Å; M295-Q298 PolarHBondContact O-N 3.28Å; M295-Q298 VanDerWaalsContact O-N 3.1Å
296T62.1Low68.9Low86 Ų86145.4 Ų145.453%0.52874%0.743SS.*G310 helixtrans-65.6-19.6-173.9400000113.4L294 Q298 R299L294-T296 HydrophobicContact CB-CG2 3.75Å; L294-T296 HydrophobicContact CD1-CG2 4.26Å; L294-T296 HydrophobicContact CG-CG2 4.41Å; L294-T296 PolarHBondContact O-N 2.91Å; L294-T296 PolarHBondContact O-OG1 2.8Å; T296-Q298 PolarHBondContact O-N 3.48Å; T296-R299 PolarHBondContact O-N 3.22Å
297R59.4Low69.4Low251 Ų251139.9 Ų139.995%0.94772%0.72SS**G310 helixtrans-68.7-16.7173.2-60.6-170.597.8176.46.5113.8M295M295-R297 PolarHBondContact O-N 2.86Å
298Q62.5Low69.7Low154 Ų154137.8 Ų137.872%0.7271%0.71SS**G310 helixtrans-106.53.2176.4-65.8-165.9-9.200113.7M295 T296 S300M295-Q298 PolarHBondContact O-N 3.28Å; M295-Q298 VanDerWaalsContact O-N 3.1Å; T296-Q298 PolarHBondContact O-N 3.48Å; Q298-S300 PolarHBondContact O-N 2.95Å
299R64.8Low70.3Confident206 Ų206132.3 Ų132.378%0.77770%0.696SS**  trans-94.173.4174.6-77.8-171.2-179.4-136.11.1110.6T296T296-R299 PolarHBondContact O-N 3.22Å
300S67.7Low71.2Confident97 Ų97131 Ų13168%0.67868%0.679SS**PPolyproline II helixtrans-89126.2153.355.80000108.1Q298Q298-S300 PolarHBondContact O-N 2.95Å
301R67.7Low71.7Confident232 Ų232126.8 Ų126.888%0.87566%0.661SS**PPolyproline II helixtrans-79.2129.3169.5-68.7178.6179.1-108.63.7106.7
302Q63.5Low72.5Confident163 Ų163127 Ų12776%0.76265%0.652SS**PPolyproline II helixtrans-59.9128.7169.8-64.7-62.4-33.500107.9S304Q302-S304 PolarHBondContact O-N 3.44Å
303P70.7Confident73.1Confident100 Ų100125.3 Ų125.365%0.64965%0.645SS**PPolyproline II helixtrans-59.9129.4-179.224.7-32.1000108.9V305P303-V305 PolarHBondContact O-N 3.03Å
304S79.3Confident73.9Confident128 Ų128119 Ų11990%0.89562%0.616SS**SBendtrans-70-9.8-178.6-174.70000112.8Q302Q302-S304 PolarHBondContact O-N 3.44Å
305V77.8Confident75.2Confident112 Ų112118.8 Ų118.868%0.67961%0.612SS**SBendtrans-124.6127.6-178.1-176.60000106.5P303P303-V305 PolarHBondContact O-N 3.03Å
306K84.7Confident76.2Confident100 Ų100117.8 Ų117.844%0.43561%0.609SS.*  trans-64.2148.4178-59-178.4-167.9176.20109.6E310 L311 E314K306-E310 HydrophobicContact CB-CB 4.03Å; K306-L311 HydrophobicContact CB-CD2 4.15Å; K306-L311 HydrophobicContact CB-CG 4.19Å; K306-L311 HydrophobicContact CD-CD2 4.29Å; K306-E314 WeakPolarHBondContact CD-OE1 3.47Å; K306-E314 WeakPolarHBondContact CE-OE1 3.24Å; K306-E314 IonicContact NZ-OE1 2.77Å; K306-E314 PolarHBondContact NZ-OE1 3.46Å; K306-E314 IonicContact NZ-OE2 2.81Å; K306-E314 PolarHBondContact NZ-OE2 3.29Å
307S82.1Confident77.3Confident61 Ų61118.2 Ų118.243%0.42760%0.604SS.*  trans-66.6157.3175.4640000111.2A309 E310 L311S307-A309 PolarHBondContact O-N 2.88Å; S307-E310 PolarHBondContact N-OE2 2.91Å; S307-E310 PolarHBondContact O-N 3.31Å; S307-E310 WeakPolarHBondContact OG-CG 3.49Å; S307-E310 PolarHBondContact OG-N 2.83Å; S307-E310 PolarHBondContact OG-OE2 2.82Å; S307-L311 PolarHBondContact O-N 2.89Å
308S80.8Confident78.4Confident84 Ų84111.1 Ų111.159%0.58758%0.581SS**Hα-helixtrans-51.6-43.5176.4-1660000111.5E310 L311 E312S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact O-N 3.45Å; S308-L311 PolarHBondContact O-N 3.35Å; S308-L311 VanDerWaalsContact O-N 3.13Å; S308-E312 WeakPolarHBondContact O-CG 3.41Å; S308-E312 PolarHBondContact O-N 3.21Å; S308-E312 PolarHBondContact OG-OE1 3.22Å
309A81.8Confident79.1Confident66 Ų66109.2 Ų109.255%0.54558%0.575SS.*Hα-helixtrans-63.1-34.6178.100000113.4S307 A313S307-A309 PolarHBondContact O-N 2.88Å; A309-A313 VanDerWaalsContact O-CB 3.31Å; A309-A313 WeakPolarHBondContact O-CB 3.25Å; A309-A313 PolarHBondContact O-N 2.84Å
310E85.5Confident79.7Confident101 Ų101105.6 Ų105.647%0.47257%0.566SS.*Hα-helixtrans-73.5-33.7174.3-80173.2145.400112.2K306 S307 S308 E314K306-E310 HydrophobicContact CB-CB 4.03Å; S307-E310 PolarHBondContact N-OE2 2.91Å; S307-E310 PolarHBondContact O-N 3.31Å; S307-E310 WeakPolarHBondContact OG-CG 3.49Å; S307-E310 PolarHBondContact OG-N 2.83Å; S307-E310 PolarHBondContact OG-OE2 2.82Å; S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact O-N 3.45Å; E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 WeakPolarHBondContact O-CG 3.4Å; E310-E314 PolarHBondContact O-N 3.02Å
311L84.6Confident80.1Confident80 Ų80106.8 Ų106.842%0.41956%0.559SS.*Hα-helixtrans-67.9-44.3173.9-69.6176.4000111.1K306 S307 S308 A313 E314 E315K306-L311 HydrophobicContact CB-CD2 4.15Å; K306-L311 HydrophobicContact CB-CG 4.19Å; K306-L311 HydrophobicContact CD-CD2 4.29Å; S307-L311 PolarHBondContact O-N 2.89Å; S308-L311 PolarHBondContact O-N 3.35Å; S308-L311 VanDerWaalsContact O-N 3.13Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.21Å; L311-E314 PolarHBondContact O-N 3.4Å; L311-E315 WeakPolarHBondContact O-CB 3.29Å; L311-E315 WeakPolarHBondContact O-CG 3.42Å; L311-E315 PolarHBondContact O-N 2.72Å
312E86.8Confident80Confident103 Ų103103.2 Ų103.248%0.48155%0.551SS.*Hα-helixtrans-61.9-41.1174.9-71.5163.4-140.300111.4S308 E315 L316S308-E312 WeakPolarHBondContact O-CG 3.41Å; S308-E312 PolarHBondContact O-N 3.21Å; S308-E312 PolarHBondContact OG-OE1 3.22Å; E312-E315 PolarHBondContact O-N 2.73Å; E312-L316 WeakPolarHBondContact O-CG 3.21Å; E312-L316 PolarHBondContact O-N 3.39Å
313A82.4Confident80Confident56 Ų56102.4 Ų102.446%0.46354%0.544SS..Hα-helixtrans-65.9-39.117500000112.5A309 L311 E315 L316 E317A309-A313 VanDerWaalsContact O-CB 3.31Å; A309-A313 WeakPolarHBondContact O-CB 3.25Å; A309-A313 PolarHBondContact O-N 2.84Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.21Å; A313-E315 VanDerWaalsContact C-N 3.33Å; A313-L316 PolarHBondContact O-N 2.96Å; A313-E317 WeakPolarHBondContact O-CB 3.34Å; A313-E317 PolarHBondContact O-N 2.7Å
314E86.1Confident79.4Confident61 Ų61105.1 Ų105.129%0.28555%0.552SS.*Hα-helixtrans-68.5-31.5173.8-78.2-177.3-177.900112.6K306 E310 L311 K318K306-E314 WeakPolarHBondContact CD-OE1 3.47Å; K306-E314 WeakPolarHBondContact CE-OE1 3.24Å; K306-E314 IonicContact NZ-OE1 2.77Å; K306-E314 PolarHBondContact NZ-OE1 3.46Å; K306-E314 IonicContact NZ-OE2 2.81Å; K306-E314 PolarHBondContact NZ-OE2 3.29Å; E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 WeakPolarHBondContact O-CG 3.4Å; E310-E314 PolarHBondContact O-N 3.02Å; L311-E314 PolarHBondContact O-N 3.4Å; E314-K318 VanDerWaalsContact O-CB 3.27Å; E314-K318 WeakPolarHBondContact O-CB 3.48Å; E314-K318 WeakPolarHBondContact O-CD 3.47Å; E314-K318 WeakPolarHBondContact O-CG 3.28Å; E314-K318 PolarHBondContact O-N 2.67Å
315E85.9Confident78.6Confident115 Ų115108 Ų10854%0.53755%0.548SS..Hα-helixtrans-69.9-42.6172.2-75.3177-178.700111.6L311 E312 A313 K318 L319L311-E315 WeakPolarHBondContact O-CB 3.29Å; L311-E315 WeakPolarHBondContact O-CG 3.42Å; L311-E315 PolarHBondContact O-N 2.72Å; E312-E315 PolarHBondContact O-N 2.73Å; A313-E315 VanDerWaalsContact C-N 3.33Å; E315-K318 WeakPolarHBondContact O-CB 3.32Å; E315-K318 PolarHBondContact O-N 2.78Å; E315-L319 WeakPolarHBondContact O-CB 3.39Å; E315-L319 VanDerWaalsContact O-CG 3.28Å; E315-L319 WeakPolarHBondContact O-CG 3.15Å; E315-L319 PolarHBondContact O-N 3.24Å
316L83.4Confident77.8Confident118 Ų118106.1 Ų106.162%0.61855%0.545SS*.Hα-helixtrans-64-39.4172.6-70.6178.5000112E312 A313 L319 Q320E312-L316 WeakPolarHBondContact O-CG 3.21Å; E312-L316 PolarHBondContact O-N 3.39Å; A313-L316 PolarHBondContact O-N 2.96Å; L316-L319 PolarHBondContact O-N 2.77Å; L316-Q320 VanDerWaalsContact O-CB 3.29Å; L316-Q320 WeakPolarHBondContact O-CB 3.37Å; L316-Q320 PolarHBondContact O-N 2.69Å
317E85.3Confident76.9Confident94 Ų94109.2 Ų109.244%0.43957%0.565SS.*Hα-helixtrans-69.7-36.5175.9-158.8-157.217800111.3A313 Q320 K321A313-E317 WeakPolarHBondContact O-CB 3.34Å; A313-E317 PolarHBondContact O-N 2.7Å; E317-Q320 PolarHBondContact O-N 2.89Å; E317-K321 HydrophobicContact CG-CD 4.45Å; E317-K321 WeakPolarHBondContact O-CB 3.36Å; E317-K321 VanDerWaalsContact O-CG 3.24Å; E317-K321 WeakPolarHBondContact O-CG 3.45Å; E317-K321 PolarHBondContact O-N 3.25Å; E317-K321 WeakPolarHBondContact OE1-CE 3.21Å; E317-K321 IonicContact OE1-NZ 2.62Å; E317-K321 PolarHBondContact OE1-NZ 3.16Å; E317-K321 IonicContact OE2-NZ 3.19Å; E317-K321 PolarHBondContact OE2-NZ 2.96Å
318K83.9Confident76.4Confident103 Ų103114.3 Ų114.345%0.44858%0.582SS.*Hα-helixtrans-62.8-48.8170.6-80167.5-169.6165.40110.4E314 E315 Q320 K321 F322E314-K318 VanDerWaalsContact O-CB 3.27Å; E314-K318 WeakPolarHBondContact O-CB 3.48Å; E314-K318 WeakPolarHBondContact O-CD 3.47Å; E314-K318 WeakPolarHBondContact O-CG 3.28Å; E314-K318 PolarHBondContact O-N 2.67Å; E315-K318 WeakPolarHBondContact O-CB 3.32Å; E315-K318 PolarHBondContact O-N 2.78Å; K318-Q320 PolarHBondContact O-N 2.86Å; K318-K321 CarbonylContact O-C 3.5Å; K318-K321 WeakPolarHBondContact O-CA 3.24Å; K318-K321 WeakPolarHBondContact O-CB 3.22Å; K318-K321 PolarHBondContact O-N 3.01Å; K318-F322 HydrophobicContact CB-CD2 4.04Å; K318-F322 HydrophobicContact CB-CE2 4.02Å; K318-F322 HydrophobicContact CG-CE2 4.39Å; K318-F322 WeakPolarHBondContact O-CB 3.14Å; K318-F322 WeakPolarHBondContact O-CD2 3.48Å; K318-F322 WeakPolarHBondContact O-CG 3.5Å; K318-F322 PolarHBondContact O-N 3.29Å
319L77.5Confident75.6Confident114 Ų114116 Ų11660%0.59758%0.584SS**Hα-helixtrans-60.5-35.3176-72.1171.6000111.6E315 L316 F322 K323E315-L319 WeakPolarHBondContact O-CB 3.39Å; E315-L319 VanDerWaalsContact O-CG 3.28Å; E315-L319 WeakPolarHBondContact O-CG 3.15Å; E315-L319 PolarHBondContact O-N 3.24Å; L316-L319 PolarHBondContact O-N 2.77Å; L319-F322 CarbonylContact O-C 3.39Å; L319-F322 PolarHBondContact O-N 3.32Å; L319-K323 PolarHBondContact O-N 3.48Å
320Q75.7Confident75Confident129 Ų129118.1 Ų118.160%0.60359%0.586SS**Hα-helixtrans-70.2-35.3173.5-168.8176.20.700112.7L316 E317 K318 K323L316-Q320 VanDerWaalsContact O-CB 3.29Å; L316-Q320 WeakPolarHBondContact O-CB 3.37Å; L316-Q320 PolarHBondContact O-N 2.69Å; E317-Q320 PolarHBondContact O-N 2.89Å; K318-Q320 PolarHBondContact O-N 2.86Å; Q320-K323 HydrophobicContact CG-CD 4.34Å; Q320-K323 WeakPolarHBondContact O-CB 3.2Å; Q320-K323 PolarHBondContact O-N 3.37Å
321K75.9Confident74.3Confident122 Ų122120.5 Ų120.553%0.5360%0.595SS.*Hα-helixtrans-72.7-32.1172.6-75.8165.3-179.1162.90112.5E317 K318 K323E317-K321 HydrophobicContact CG-CD 4.45Å; E317-K321 WeakPolarHBondContact O-CB 3.36Å; E317-K321 VanDerWaalsContact O-CG 3.24Å; E317-K321 WeakPolarHBondContact O-CG 3.45Å; E317-K321 PolarHBondContact O-N 3.25Å; E317-K321 WeakPolarHBondContact OE1-CE 3.21Å; E317-K321 IonicContact OE1-NZ 2.62Å; E317-K321 PolarHBondContact OE1-NZ 3.16Å; E317-K321 IonicContact OE2-NZ 3.19Å; E317-K321 PolarHBondContact OE2-NZ 2.96Å; K318-K321 CarbonylContact O-C 3.5Å; K318-K321 WeakPolarHBondContact O-CA 3.24Å; K318-K321 WeakPolarHBondContact O-CB 3.22Å; K318-K321 PolarHBondContact O-N 3.01Å; K321-K323 VanDerWaalsContact C-N 3.33Å
322F66.7Low73.4Confident158 Ų158124.9 Ų124.969%0.69361%0.611SS**SBendtrans-87.93.3174.4-69.7-64000112.9K318 L319 I324K318-F322 HydrophobicContact CB-CD2 4.04Å; K318-F322 HydrophobicContact CB-CE2 4.02Å; K318-F322 HydrophobicContact CG-CE2 4.39Å; K318-F322 WeakPolarHBondContact O-CB 3.14Å; K318-F322 WeakPolarHBondContact O-CD2 3.48Å; K318-F322 WeakPolarHBondContact O-CG 3.5Å; K318-F322 PolarHBondContact O-N 3.29Å; L319-F322 CarbonylContact O-C 3.39Å; L319-F322 PolarHBondContact O-N 3.32Å; F322-I324 VanDerWaalsContact C-N 3.34Å; F322-I324 PolarHBondContact O-N 2.73Å
323K64.3Low72.4Confident145 Ų145126 Ų12663%0.6362%0.619SS**SBendtrans-55.2110.2158.6-76.3179-179.2-1750105.3L319 Q320 K321 K325L319-K323 PolarHBondContact O-N 3.48Å; Q320-K323 HydrophobicContact CG-CD 4.34Å; Q320-K323 WeakPolarHBondContact O-CB 3.2Å; Q320-K323 PolarHBondContact O-N 3.37Å; K321-K323 VanDerWaalsContact C-N 3.33Å; K323-K325 PolarHBondContact O-N 2.92Å
324I56.2Low71.6Confident157 Ų157129.7 Ų129.781%0.80563%0.63SS**  trans-41.2106.2-177.9-62.2166000105.9F322 A326F322-I324 VanDerWaalsContact C-N 3.34Å; F322-I324 PolarHBondContact O-N 2.73Å; I324-A326 HydrophobicContact CG2-CB 4.26Å; I324-A326 PolarHBondContact O-N 3.08Å
325K62.5Low70.7Confident188 Ų188133 Ų13382%0.81765%0.645SS**  trans-7074.9166.2-71.4-177-178.9178.60104.4K323 L327K323-K325 PolarHBondContact O-N 2.92Å; K325-L327 VanDerWaalsContact C-N 3.33Å; K325-L327 PolarHBondContact O-N 3.18Å
326A61.6Low69.9Low73 Ų73130.2 Ų130.260%0.60365%0.648SS**  trans-56.8109.4168.600000103.4I324 E328I324-A326 HydrophobicContact CG2-CB 4.26Å; I324-A326 PolarHBondContact O-N 3.08Å; A326-E328 VanDerWaalsContact C-N 3.33Å; A326-E328 PolarHBondContact O-N 2.97Å
327L66.8Low68.8Low166 Ų166131.1 Ų131.187%0.86966%0.661SS**  trans-54.1110.9167.8-72.2170000104.2K325 L329K325-L327 VanDerWaalsContact C-N 3.33Å; K325-L327 PolarHBondContact O-N 3.18Å; L327-L329 PolarHBondContact O-N 2.98Å
328E70Confident67.8Low167 Ų167134.7 Ų134.778%0.7868%0.677SS**  trans-49122.1-179.9-71.9-176.5175.400107A326 N330A326-E328 VanDerWaalsContact C-N 3.33Å; A326-E328 PolarHBondContact O-N 2.97Å; E328-N330 PolarHBondContact O-N 3.17Å
329L65.4Low66.8Low119 Ų119138.6 Ų138.662%0.62370%0.697SS**  trans-52.1116-175.1-140.6160000106.7L327 K331 I333 L334L327-L329 PolarHBondContact O-N 2.98Å; L329-K331 PolarHBondContact O-N 2.91Å; L329-I333 HydrophobicContact CD2-CD1 4.26Å; L329-L334 HydrophobicContact CD2-CD1 4.19Å; L329-L334 HydrophobicContact CD2-CG 4.47Å
330N67.9Low65.9Low112 Ų112141.1 Ų141.160%0.59971%0.71SS**  trans-52.5111.1-175.4-102.4-40.7000107.8E328 K332 I333E328-N330 PolarHBondContact O-N 3.17Å; N330-K332 PolarHBondContact O-N 2.91Å; N330-I333 HydrophobicContact CB-CD1 3.56Å; N330-I333 HydrophobicContact CB-CG1 3.77Å; N330-I333 WeakPolarHBondContact O-CB 3.33Å; N330-I333 VanDerWaalsContact O-CG1 3.26Å; N330-I333 WeakPolarHBondContact O-CG1 3.25Å; N330-I333 PolarHBondContact O-N 3.27Å
331K72Confident65.3Low151 Ų151146 Ų14666%0.65772%0.723SS**Hα-helixtrans-60.2-22.2-172.6-61.1-176.9-178.5-176.60112.6L329 I333 L334 E335L329-K331 PolarHBondContact O-N 2.91Å; K331-I333 PolarHBondContact O-N 3.19Å; K331-L334 CarbonylContact O-C 3.6Å; K331-L334 PolarHBondContact O-N 3.37Å; K331-E335 PolarHBondContact O-N 2.95Å
332K64.8Low64.7Low172 Ų172149.7 Ų149.775%0.74874%0.739SS**Hα-helixtrans-61.3-18.5170.8-60.9-171.4175.9-170.30115.1N330 E335N330-K332 PolarHBondContact O-N 2.91Å; K332-E335 VanDerWaalsContact O-O 3.12Å
333I65.6Low64.3Low127 Ų127147.8 Ų147.865%0.65174%0.743SS**Hα-helixtrans-86.5-24.5176.4-43.7166000109.9L329 N330 K331L329-I333 HydrophobicContact CD2-CD1 4.26Å; N330-I333 HydrophobicContact CB-CD1 3.56Å; N330-I333 HydrophobicContact CB-CG1 3.77Å; N330-I333 WeakPolarHBondContact O-CB 3.33Å; N330-I333 VanDerWaalsContact O-CG1 3.26Å; N330-I333 WeakPolarHBondContact O-CG1 3.25Å; N330-I333 PolarHBondContact O-N 3.27Å; K331-I333 PolarHBondContact O-N 3.19Å
334L66.3Low64.4Low132 Ų132145.2 Ų145.269%0.69175%0.749SS**Hα-helixtrans-91.4-22.8175.9-71.3156.4000112L329 K331L329-L334 HydrophobicContact CD2-CD1 4.19Å; L329-L334 HydrophobicContact CD2-CG 4.47Å; K331-L334 CarbonylContact O-C 3.6Å; K331-L334 PolarHBondContact O-N 3.37Å
335E67.4Low64.9Low130 Ų130144.8 Ų144.861%0.60775%0.753SS**SBendtrans-80.1120.6166.7-71.4175.1160.400109.1K331 K332K331-E335 PolarHBondContact O-N 2.95Å; K332-E335 VanDerWaalsContact O-O 3.12Å
336G69.8Low65.3Low57 Ų57144.7 Ų144.759%0.58875%0.752SS**  trans-56.5165.8176.300000112.6E338G336-E338 PolarHBondContact O-N 3.08Å
337P59.9Low65.8Low138 Ų138149.6 Ų149.690%0.89676%0.763SS**  trans-56.2107.9-166.924.5-33.4000111E339P337-E339 PolarHBondContact O-N 3.27Å
338E63.8Low66Low169 Ų169147.6 Ų147.679%0.7976%0.76SS**  trans-64.8119.8174.7-168173-173.300107.8G336 L340G336-E338 PolarHBondContact O-N 3.08Å; E338-L340 PolarHBondContact O-N 2.84Å
339E63.5Low66.1Low185 Ų185145.7 Ų145.786%0.86476%0.76SS**  trans-57.9105.6-177.7-160.4169.9-153.300108.7P337 R341P337-E339 PolarHBondContact O-N 3.27Å; E339-R341 PolarHBondContact O-N 2.89Å
340L57Low66.3Low166 Ų166146 Ų14687%0.86977%0.767SS**  trans-54.3105.4-172.3-67173.3000109.8E338 K342E338-L340 PolarHBondContact O-N 2.84Å; L340-K342 PolarHBondContact O-N 2.98Å
341R64.7Low66.1Low232 Ų232146.4 Ų146.488%0.87578%0.775SS**PPolyproline II helixtrans-57.5125167.5-74.4-77.4-180150.1-2.1107.7E339 P343E339-R341 PolarHBondContact O-N 2.89Å; R341-P343 VanDerWaalsContact O-CD 3.3Å; R341-P343 WeakPolarHBondContact O-CD 3.43Å
342K62.7Low66Low200 Ų200148.3 Ų148.387%0.8779%0.786SS**PPolyproline II helixtrans-53.5116.4174.9-69.8-178.7-178.61780108.3L340L340-K342 PolarHBondContact O-N 2.98Å
343P57.1Low66.3Low117 Ų117143 Ų14376%0.7678%0.781SS**PPolyproline II helixtrans-64.4139.9-179.824.9-31.9000109.4R341 V345R341-P343 VanDerWaalsContact O-CD 3.3Å; R341-P343 WeakPolarHBondContact O-CD 3.43Å; P343-V345 PolarHBondContact O-N 2.89Å
344A67.5Low66.4Low92 Ų92144.2 Ų144.276%0.7678%0.782SS**PPolyproline II helixtrans-57.2135.1174.200000109.9K346A344-K346 PolarHBondContact O-N 3.38Å
345V67.4Low66.5Low148 Ų148144.9 Ų144.990%0.89778%0.781SS**  trans-59.6111.5-175.9179.70000108.9P343P343-V345 PolarHBondContact O-N 2.89Å
346K70.2Confident66.6Low185 Ų185141.8 Ų141.880%0.80477%0.769SS**  trans-70.7147.9172-64.2-172.9177.6-177.10109.2A344A344-K346 PolarHBondContact O-N 3.38Å
347E72.9Confident66.8Low176 Ų176147 Ų14782%0.82278%0.778SS**  trans-57.2142.8176.6-63.4-161.1168.100111.2T349E347-T349 PolarHBondContact O-N 3.17Å
348P69.5Low67.4Low124 Ų124144.7 Ų144.781%0.80576%0.757SS**  trans-56.7112.3-176.5-21.831.5000110.7V350P348-V350 PolarHBondContact O-N 3.5Å; P348-V350 VanDerWaalsContact O-N 3.16Å
349T72.3Confident68Low128 Ų128141.6 Ų141.679%0.78574%0.743SS**  trans-66.4113.5175.1-54.80000108.2E347 P351E347-T349 PolarHBondContact O-N 3.17Å; T349-P351 WeakPolarHBondContact O-CD 3.41Å
350V70.8Confident68.7Low126 Ų126137.5 Ų137.576%0.76472%0.722SS**  trans-66.3122170.3-179.90000107P348 E352P348-V350 PolarHBondContact O-N 3.5Å; P348-V350 VanDerWaalsContact O-N 3.16Å; V350-E352 PolarHBondContact O-N 3.48Å
351P63Low69.7Low119 Ų119135.9 Ų135.977%0.77370%0.704SS**  trans-69.3106.2-18027.4-32.4000109T349 G353T349-P351 WeakPolarHBondContact O-CD 3.41Å; P351-G353 PolarHBondContact O-N 3.19Å
352E68.8Low70.2Confident191 Ų191129 Ų12989%0.89368%0.684SS**  trans-72.5109.8163.6-168.4171-174.300107.3V350 F354V350-E352 PolarHBondContact O-N 3.48Å; E352-F354 PolarHBondContact O-N 3.49Å
353G71.4Confident70.9Confident62 Ų62125.2 Ų125.264%0.63967%0.67SS**  trans-59.3134.5-179.500000110.5P351 E355P351-G353 PolarHBondContact O-N 3.19Å; G353-E355 PolarHBondContact O-N 2.85Å
354F67.6Low71.7Confident151 Ų151124.9 Ų124.966%0.66266%0.658SS**  trans-61132.317342-101.9000109E352 L356E352-F354 PolarHBondContact O-N 3.49Å; F354-L356 VanDerWaalsContact C-N 3.34Å; F354-L356 HydrophobicContact CD2-CD1 3.99Å; F354-L356 HydrophobicContact CD2-CD2 3.21Å; F354-L356 HydrophobicContact CD2-CG 3.31Å; F354-L356 HydrophobicContact CE2-CD1 3.55Å; F354-L356 HydrophobicContact CE2-CD2 3.62Å; F354-L356 HydrophobicContact CE2-CG 3.43Å; F354-L356 VanDerWaalsContact CE2-CG 3.43Å; F354-L356 HydrophobicContact CG-CD2 4.2Å; F354-L356 PolarHBondContact O-N 2.99Å
355E70.1Confident71.9Confident147 Ų147128.7 Ų128.769%0.68765%0.653SS**  trans-78.986.8-179.6-153.6177.4-167.300109G353 E357 K360G353-E355 PolarHBondContact O-N 2.85Å; E355-E357 PolarHBondContact O-N 2.7Å; E355-K360 WeakPolarHBondContact OE1-CE 3.33Å; E355-K360 IonicContact OE1-NZ 3.03Å; E355-K360 PolarHBondContact OE1-NZ 3.25Å; E355-K360 IonicContact OE2-NZ 2.72Å; E355-K360 PolarHBondContact OE2-NZ 3.39Å
356L69.1Low72Confident65 Ų65128.9 Ų128.934%0.3464%0.644SS.*  trans-68.8128.9-179.9-64.5-171.8000110.1F354 I358 E359 K360F354-L356 VanDerWaalsContact C-N 3.34Å; F354-L356 HydrophobicContact CD2-CD1 3.99Å; F354-L356 HydrophobicContact CD2-CD2 3.21Å; F354-L356 HydrophobicContact CD2-CG 3.31Å; F354-L356 HydrophobicContact CE2-CD1 3.55Å; F354-L356 HydrophobicContact CE2-CD2 3.62Å; F354-L356 HydrophobicContact CE2-CG 3.43Å; F354-L356 VanDerWaalsContact CE2-CG 3.43Å; F354-L356 HydrophobicContact CG-CD2 4.2Å; F354-L356 PolarHBondContact O-N 2.99Å; L356-I358 HydrophobicContact CB-CB 4.22Å; L356-I358 PolarHBondContact O-N 2.97Å; L356-E359 HydrophobicContact CB-CB 4.38Å; L356-E359 HydrophobicContact CB-CG 4.26Å; L356-E359 PolarHBondContact O-N 2.77Å; L356-K360 PolarHBondContact O-N 2.89Å; L356-K360 VanDerWaalsContact O-N 3.1Å
357E73.6Confident71.7Confident166 Ų166126.7 Ų126.778%0.77664%0.638SS**Hα-helixtrans-55.7-24.4167.3-145.7173.8-15800111.7E355 R361E355-E357 PolarHBondContact O-N 2.7Å; E357-R361 WeakPolarHBondContact O-CB 3.43Å; E357-R361 PolarHBondContact O-N 2.62Å
358I72.3Confident70.9Confident89 Ų89123.9 Ų123.946%0.45663%0.629SS.*Hα-helixtrans-67.9-41.6173.2-53.9179.2000111.8L356 R361 L362L356-I358 HydrophobicContact CB-CB 4.22Å; L356-I358 PolarHBondContact O-N 2.97Å; I358-R361 PolarHBondContact O-N 3.26Å; I358-L362 HydrophobicContact CG2-CD1 4.19Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 WeakPolarHBondContact O-CG 3.42Å; I358-L362 PolarHBondContact O-N 3.37Å
359E76Confident70.6Confident105 Ų105126.1 Ų126.149%0.49163%0.626SS.*Hα-helixtrans-70.1-41.8176.5-75.4-176.6163.200111.1L356 R361 L362 Q363L356-E359 HydrophobicContact CB-CB 4.38Å; L356-E359 HydrophobicContact CB-CG 4.26Å; L356-E359 PolarHBondContact O-N 2.77Å; E359-R361 VanDerWaalsContact C-N 3.34Å; E359-R361 PolarHBondContact O-N 3.48Å; E359-L362 PolarHBondContact O-N 3.48Å; E359-Q363 WeakPolarHBondContact O-CG 3.32Å; E359-Q363 PolarHBondContact O-N 3.16Å
360K79.8Confident69.2Low98 Ų98129 Ų12943%0.42663%0.628SS.*Hα-helixtrans-56.5-47171.6-77.5-178.2170.4163.60111.8E355 L356 L362 Q363 E364E355-K360 WeakPolarHBondContact OE1-CE 3.33Å; E355-K360 IonicContact OE1-NZ 3.03Å; E355-K360 PolarHBondContact OE1-NZ 3.25Å; E355-K360 IonicContact OE2-NZ 2.72Å; E355-K360 PolarHBondContact OE2-NZ 3.39Å; L356-K360 PolarHBondContact O-N 2.89Å; L356-K360 VanDerWaalsContact O-N 3.1Å; K360-L362 VanDerWaalsContact C-N 3.35Å; K360-L362 PolarHBondContact O-N 2.88Å; K360-Q363 PolarHBondContact O-N 2.91Å; K360-E364 WeakPolarHBondContact O-CB 3.26Å; K360-E364 PolarHBondContact O-N 2.98Å
361R77.5Confident68.3Low132 Ų132128.8 Ų128.850%0.49863%0.631SS.*Hα-helixtrans-67.5-31.8177.8-175.9178.353.2164.6-4.1113E357 I358 E359 R365E357-R361 WeakPolarHBondContact O-CB 3.43Å; E357-R361 PolarHBondContact O-N 2.62Å; I358-R361 PolarHBondContact O-N 3.26Å; E359-R361 VanDerWaalsContact C-N 3.34Å; E359-R361 PolarHBondContact O-N 3.48Å; R361-R365 VanDerWaalsContact O-CB 3.27Å; R361-R365 WeakPolarHBondContact O-CB 3.38Å; R361-R365 PolarHBondContact O-N 3.14Å
362L75.4Confident67.5Low87 Ų87132.3 Ų132.346%0.45564%0.637SS.*Hα-helixtrans-69.8-45.6173.5-84.3163.6000111I358 E359 K360 E364 R365 Q366I358-L362 HydrophobicContact CG2-CD1 4.19Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 WeakPolarHBondContact O-CG 3.42Å; I358-L362 PolarHBondContact O-N 3.37Å; E359-L362 PolarHBondContact O-N 3.48Å; K360-L362 VanDerWaalsContact C-N 3.35Å; K360-L362 PolarHBondContact O-N 2.88Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-E364 PolarHBondContact O-N 2.95Å; L362-R365 PolarHBondContact O-N 2.78Å; L362-Q366 WeakPolarHBondContact O-CG 3.14Å; L362-Q366 PolarHBondContact O-N 3.31Å
363Q77.2Confident66.3Low122 Ų122131.1 Ų131.157%0.5764%0.637SS**Hα-helixtrans-60.4-44.3174.7-72177.52.300111.1E359 K360 R365 Q366 M367E359-Q363 WeakPolarHBondContact O-CG 3.32Å; E359-Q363 PolarHBondContact O-N 3.16Å; K360-Q363 PolarHBondContact O-N 2.91Å; Q363-R365 VanDerWaalsContact C-N 3.3Å; Q363-R365 PolarHBondContact O-N 3.42Å; Q363-Q366 PolarHBondContact O-N 2.81Å; Q363-Q366 VanDerWaalsContact O-N 3.09Å; Q363-M367 HydrophobicContact CB-CE 4.36Å; Q363-M367 VanDerWaalsContact O-CG 3.28Å; Q363-M367 WeakPolarHBondContact O-CG 3.49Å; Q363-M367 PolarHBondContact O-N 2.99Å
364E73.9Confident65Low110 Ų110131.5 Ų131.551%0.51464%0.641SS.*Hα-helixtrans-60.4-38.2175.4-165.5179.3-16100112.3K360 L362 M367 N368K360-E364 WeakPolarHBondContact O-CB 3.26Å; K360-E364 PolarHBondContact O-N 2.98Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-E364 PolarHBondContact O-N 2.95Å; E364-M367 WeakPolarHBondContact O-CG 3.42Å; E364-N368 VanDerWaalsContact O-CB 3.27Å; E364-N368 WeakPolarHBondContact O-CB 2.82Å; E364-N368 PolarHBondContact O-N 3.16Å; E364-N368 PolarHBondContact O-ND2 2.84Å
365R70.6Confident64Low172 Ų172133.5 Ų133.565%0.64965%0.653SS**Hα-helixtrans-72.3-29.4175.5-162.8-178.7-76.9-176.9-6.2112.4R361 L362 Q363 K369R361-R365 VanDerWaalsContact O-CB 3.27Å; R361-R365 WeakPolarHBondContact O-CB 3.38Å; R361-R365 PolarHBondContact O-N 3.14Å; L362-R365 PolarHBondContact O-N 2.78Å; Q363-R365 VanDerWaalsContact C-N 3.3Å; Q363-R365 PolarHBondContact O-N 3.42Å; R365-K369 PolarHBondContact O-N 3.01Å
366Q70.4Confident63.2Low152 Ų152135.9 Ų135.971%0.7166%0.661SS**Hα-helixtrans-76.6-41.1174.5-69.5-159.618.600112.3L362 Q363 N368 K369L362-Q366 WeakPolarHBondContact O-CG 3.14Å; L362-Q366 PolarHBondContact O-N 3.31Å; Q363-Q366 PolarHBondContact O-N 2.81Å; Q363-Q366 VanDerWaalsContact O-N 3.09Å; Q366-N368 VanDerWaalsContact C-N 3.32Å; Q366-N368 PolarHBondContact O-N 2.87Å; Q366-K369 PolarHBondContact O-N 2.96Å
367M62.8Low62.4Low139 Ų139138.7 Ų138.769%0.68568%0.683SS**Hα-helixtrans-70.2-27.5175.362.4-175.859.400112.9Q363 E364Q363-M367 HydrophobicContact CB-CE 4.36Å; Q363-M367 VanDerWaalsContact O-CG 3.28Å; Q363-M367 WeakPolarHBondContact O-CG 3.49Å; Q363-M367 PolarHBondContact O-N 2.99Å; E364-M367 WeakPolarHBondContact O-CG 3.42Å
368N57.4Low61.5Low117 Ų117139.6 Ų139.663%0.62669%0.687SS**THydrogen-bonded Turntrans-88.32.6173.9-76.3-38.2000114.5E364 Q366 K370E364-N368 VanDerWaalsContact O-CB 3.27Å; E364-N368 WeakPolarHBondContact O-CB 2.82Å; E364-N368 PolarHBondContact O-N 3.16Å; E364-N368 PolarHBondContact O-ND2 2.84Å; Q366-N368 VanDerWaalsContact C-N 3.32Å; Q366-N368 PolarHBondContact O-N 2.87Å; N368-K370 VanDerWaalsContact C-N 3.33Å; N368-K370 PolarHBondContact O-N 3.02Å
369K62.9Low60.9Low171 Ų171139 Ų13974%0.74369%0.69SS**  trans-77.685.7173.2-168.3171.2179.1177.80109.4R365 Q366 S371R365-K369 PolarHBondContact O-N 3.01Å; Q366-K369 PolarHBondContact O-N 2.96Å; K369-S371 PolarHBondContact O-N 3.22Å
370K42.5Very low60Low189 Ų189142.5 Ų142.582%0.82270%0.704SS**  trans-57.1129161.5-71.3-177.8178.4-179.60108.3N368 Q372N368-K370 VanDerWaalsContact C-N 3.33Å; N368-K370 PolarHBondContact O-N 3.02Å; K370-Q372 PolarHBondContact O-N 2.9Å
371S51.3Low59.4Low120 Ų120145.7 Ų145.784%0.83972%0.718SS**  trans-55103171.743.60000109.7K369K369-S371 PolarHBondContact O-N 3.22Å
372Q46.7Very low58.9Low193 Ų193143 Ų14390%0.90272%0.724SS**  trans-113.9118.6156.8-99.4-161.1-5.200108.2K370K370-Q372 PolarHBondContact O-N 2.9Å
373D43.2Very low58.6Low166 Ų166146.2 Ų146.289%0.88874%0.742SS**  trans-49.4147.1172.5-76.6-54.3000114.1
374G45Very low58.6Low70 Ų70146 Ų14672%0.72275%0.75SS**  trans92.271.4142.400000117.5K376G374-K376 PolarHBondContact O-N 3.22Å
375E46.8Very low58.1Low194 Ų194148.3 Ų148.391%0.90777%0.766SS**PPolyproline II helixtrans-65.8117.9156.9-73-176.4175.200109.8
376K52.2Low58.1Low196 Ų196144.1 Ų144.185%0.85276%0.761SS**PPolyproline II helixtrans-77.8135.9165.2-71.2-177.7179.6179.20109.3G374G374-K376 PolarHBondContact O-N 3.22Å
377P53.8Low58.1Low124 Ų124145.2 Ų145.281%0.80576%0.763SS**PPolyproline II helixtrans-66.2135.7177.525.7-32.2000111.6S379P377-S379 PolarHBondContact O-N 2.91Å; P377-S379 VanDerWaalsContact O-N 3.15Å
378H53.1Low58.3Low186 Ų186147.4 Ų147.486%0.86177%0.769SS**  trans-65.8107.1179.6-176.374.5000111.1
379S60.5Low58.6Low75 Ų75147.4 Ų147.452%0.52477%0.773SS.*  trans-80119.7172.61610000109.9P377 K381P377-S379 PolarHBondContact O-N 2.91Å; P377-S379 VanDerWaalsContact O-N 3.15Å; S379-K381 PolarHBondContact O-N 3.37Å
380F56.2Low58.8Low179 Ų179146.7 Ų146.779%0.78578%0.776SS**  trans-62.4115.3171.1-179.4-104.1000109.9A382F380-A382 HydrophobicContact CE1-CB 4.16Å
381K67.1Low60.1Low166 Ų166143.7 Ų143.772%0.72277%0.769SS**  trans-108.7108.7173.1-64.7-70.2-177.2-1800107.6S379 N383S379-K381 PolarHBondContact O-N 3.37Å; K381-N383 PolarHBondContact O-N 2.91Å
382A68.1Low60.9Low75 Ų75140.8 Ų140.862%0.6276%0.759SS**PPolyproline II helixtrans-70127.8171.700000109.2F380F380-A382 HydrophobicContact CE1-CB 4.16Å
383N69.5Low61.9Low155 Ų155139 Ų13983%0.82976%0.76SS**PPolyproline II helixtrans-73.9123.6176.9-72.4-26.2000109.4K381K381-N383 PolarHBondContact O-N 2.91Å
384P75.8Confident62.6Low116 Ų116137.2 Ų137.275%0.75376%0.755SS**PPolyproline II helixtrans-68.1149.4179.727.4-33.4000111.4
385L64.7Low63.4Low159 Ų159136.9 Ų136.983%0.83275%0.751SS**PPolyproline II helixtrans-52.1128.7-179.2-87.4144.4000111.4K387L385-K387 PolarHBondContact O-N 3.46Å; L385-K387 VanDerWaalsContact O-N 3.14Å
386P70.8Confident64.1Low84 Ų84135.8 Ų135.855%0.54575%0.751SS.*  trans-65.8115.9-178.822.9-29.9000110.4K388 V389P386-K388 PolarHBondContact O-N 3.09Å; P386-V389 HydrophobicContact CG-CG2 4.2Å; P386-V389 PolarHBondContact O-N 3.49Å; P386-V389 VanDerWaalsContact O-N 3.12Å
387K70.1Confident64.8Low175 Ų175132.2 Ų132.276%0.76175%0.748SS**G310 helixtrans-55.3-20.8-176.4-60.7-175.9179.4-174.60114.5L385 V389 L390L385-K387 PolarHBondContact O-N 3.46Å; L385-K387 VanDerWaalsContact O-N 3.14Å; K387-V389 PolarHBondContact O-N 3.23Å; K387-V389 VanDerWaalsContact O-N 3.17Å; K387-L390 PolarHBondContact O-N 2.94Å
388K66.1Low65.4Low186 Ų186135.1 Ų135.181%0.80975%0.75SS**G310 helixtrans-65.6-11.9177.7-61-174.5179.2-176.10114.7P386P386-K388 PolarHBondContact O-N 3.09Å
389V63.5Low66Low116 Ų116135.9 Ų135.970%0.70375%0.751SS**G310 helixtrans-82.2-22.5173.7-174.80000111.2P386 K387P386-V389 HydrophobicContact CG-CG2 4.2Å; P386-V389 PolarHBondContact O-N 3.49Å; P386-V389 VanDerWaalsContact O-N 3.12Å; K387-V389 PolarHBondContact O-N 3.23Å; K387-V389 VanDerWaalsContact O-N 3.17Å
390L68.4Low66.5Low156 Ų156141.4 Ų141.482%0.81777%0.766SS**THydrogen-bonded Turntrans-88.3-23.2179.2-66.2171.5000112.7K387 G392K387-L390 PolarHBondContact O-N 2.94Å; L390-G392 PolarHBondContact O-N 3.4Å
391D68.4Low66.9Low126 Ų126139 Ų13967%0.67477%0.766SS**SBendtrans-82.1112.3168.8-72.8-24.8000108.4
392G69.4Low66.5Low60 Ų60139.2 Ų139.262%0.61977%0.771SS**  trans-55.4169.9-176.900000114.5L390 V394L390-G392 PolarHBondContact O-N 3.4Å; G392-V394 PolarHBondContact O-N 3.28Å
393V66.1Low66.7Low154 Ų154145.9 Ų145.993%0.93378%0.782SS**  trans-57.597.4-170.7-175.60000112
394V58.1Low66.4Low130 Ų130144.3 Ų144.379%0.78878%0.78SS**  trans-77.1131.6167.9-178.90000108.1G392G392-V394 PolarHBondContact O-N 3.28Å
395G62.1Low66Low62 Ų62145.3 Ų145.364%0.63978%0.784SS**  trans-51160.6-172.300000115.7
396L62.4Low66.2Low172 Ų172143.9 Ų143.990%0.90178%0.782SS**  trans-44.7128.3-172.9-69.9167.9000112.5E398L396-E398 PolarHBondContact O-N 2.82Å
397P66.5Low65.9Low120 Ų120145.6 Ų145.678%0.77979%0.793SS**  trans-66.8132.5-176.826.3-33.1000111K399P397-K399 PolarHBondContact O-N 2.85Å
398E66.8Low65.8Low185 Ų185144.8 Ų144.886%0.86479%0.792SS**  trans-56134.8177.3-70.2-175.416400111.6L396 K400L396-E398 PolarHBondContact O-N 2.82Å; E398-K400 PolarHBondContact O-N 2.99Å; E398-K400 VanDerWaalsContact O-N 3.12Å
399K64.8Low65.4Low202 Ų202140.8 Ų140.888%0.87879%0.787SS**  trans-62.5111.8-175.9-176.6-179.6179.2-179.50110.1P397 V401P397-K399 PolarHBondContact O-N 2.85Å; K399-V401 PolarHBondContact O-N 2.82Å
400K71.1Confident65.7Low191 Ų191140.2 Ų140.283%0.8379%0.786SS**PPolyproline II helixtrans-61.9119176.1-65.9-172.2178.5-169.20110.4E398 M402E398-K400 PolarHBondContact O-N 2.99Å; E398-K400 VanDerWaalsContact O-N 3.12Å; K400-M402 PolarHBondContact O-N 3.02Å
401V65.1Low65.3Low130 Ų130137.3 Ų137.379%0.78879%0.785SS**PPolyproline II helixtrans-69.8123.3171.7-177.10000108.2K399K399-V401 PolarHBondContact O-N 2.82Å
402M59Low64.7Low170 Ų170140.7 Ų140.784%0.83779%0.794SS**PPolyproline II helixtrans-76.4132.5178-64.9-16569.800110.3K400K400-M402 PolarHBondContact O-N 3.02Å
403Y71.1Confident64.1Low214 Ų214142.2 Ų142.284%0.83980%0.8SS**PPolyproline II helixtrans-70141.5174-52.4-73.7000110.5T405Y403-T405 PolarHBondContact O-N 3.31Å
404P64.6Low63.4Low123 Ų123142 Ų14280%0.79979%0.793SS**PPolyproline II helixtrans-60.8132.9179-21.932.2000112.8V406P404-V406 PolarHBondContact O-N 2.88Å
405T67.3Low63.4Low136 Ų136146 Ų14683%0.83480%0.8SS**  trans-69.7112.4179.2-48.40000111.2Y403Y403-T405 PolarHBondContact O-N 3.31Å
406V68.8Low63.2Low129 Ų129152.2 Ų152.278%0.78281%0.809SS**PPolyproline II helixtrans-84.8120.5169.4-1790000108.8P404 E408P404-V406 PolarHBondContact O-N 2.88Å; V406-E408 PolarHBondContact O-N 3.17Å
407P63.7Low62.8Low120 Ų120155.9 Ų155.978%0.77981%0.811SS**PPolyproline II helixtrans-72.5116.1179.227.2-31.9000111
408E69.1Low61.9Low158 Ų158155.1 Ų155.174%0.73880%0.804SS**PPolyproline II helixtrans-85.8120174.4-152.3-178.4-155.700109.3V406 R422V406-E408 PolarHBondContact O-N 3.17Å; E408-R422 IonicContact OE2-NH2 2.97Å; E408-R422 PolarHBondContact OE2-NH2 3.37Å
409S57.6Low61.1Low102 Ų102156.5 Ų156.571%0.71380%0.802SS**PPolyproline II helixtrans-70.4140-176.859.90000112.4A411S409-A411 PolarHBondContact O-N 3.38Å
410P68.6Low60.4Low105 Ų105154.3 Ų154.368%0.68280%0.796SS**PPolyproline II helixtrans-61.4116.6178-24.934.9000113.6F412P410-F412 HydrophobicContact CB-CD2 3.98Å; P410-F412 HydrophobicContact CB-CE2 4.35Å; P410-F412 PolarHBondContact O-N 2.81Å
411A61.7Low59.2Low94 Ų94152.9 Ų152.978%0.77779%0.793SS**  trans-73.781.1-179.900000112.5S409 A413S409-A411 PolarHBondContact O-N 3.38Å; A411-A413 PolarHBondContact O-N 3.11Å
412F54.8Low58.7Low197 Ų197156 Ų15686%0.86479%0.79SS**  trans-85.31.6-171.6-112-87.5000116.6P410P410-F412 HydrophobicContact CB-CD2 3.98Å; P410-F412 HydrophobicContact CB-CE2 4.35Å; P410-F412 PolarHBondContact O-N 2.81Å
413A56Low58.2Low92 Ų92157.7 Ų157.776%0.7679%0.793SS**  trans-144.849.2-171.300000116.4A411A411-A413 PolarHBondContact O-N 3.11Å
414L53.1Low57Low150 Ų150153.7 Ų153.779%0.78579%0.79SS**  trans-112.3110.1164.3-78.7164.9000111.2K416L414-K416 PolarHBondContact O-N 3.24Å
415K56.9Low56.5Low214 Ų214156.3 Ų156.393%0.9379%0.792SS**SBendtrans-7417-175.6-67.1178.9177.6176.50114.9
416K58.5Low56Low192 Ų192158.6 Ų158.684%0.83579%0.793SS**  trans-136.289.1172.4-65.7-172.6-178.4-177.10108.5L414 V418L414-K416 PolarHBondContact O-N 3.24Å; K416-V418 VanDerWaalsContact C-N 3.3Å; K416-V418 PolarHBondContact O-N 3.36Å
417R53.5Low55.1Low250 Ų250158.3 Ų158.394%0.94379%0.791SS**  trans-67.690.4169.8-85.1-178179.3169.5-0.4108.6
418V47.1Very low54.8Low104 Ų104161.3 Ų161.363%0.6379%0.792SS**  trans-85.3111.6145.5179.80000104.4K416 M420K416-V418 VanDerWaalsContact C-N 3.3Å; K416-V418 PolarHBondContact O-N 3.36Å; V418-M420 VanDerWaalsContact C-N 3.27Å; V418-M420 HydrophobicContact CB-CE 4.3Å; V418-M420 HydrophobicContact CG1-CE 3.84Å; V418-M420 HydrophobicContact CG1-SD 4.41Å; V418-M420 PolarHBondContact O-N 2.87Å
419R51.8Low54.3Low214 Ų214159 Ų15981%0.80879%0.791SS**  trans-64.196.9168.8179.9172.4173.590.8-2.7106E421R419-E421 PolarHBondContact O-N 3.32Å; R419-E421 VanDerWaalsContact O-N 3.17Å
420M49.3Very low54.2Low155 Ų155159.8 Ų159.876%0.76479%0.794SS**  trans-66.5111.9166.2-69.6-66.7166.100105.9V418 R422V418-M420 VanDerWaalsContact C-N 3.27Å; V418-M420 HydrophobicContact CB-CE 4.3Å; V418-M420 HydrophobicContact CG1-CE 3.84Å; V418-M420 HydrophobicContact CG1-SD 4.41Å; V418-M420 PolarHBondContact O-N 2.87Å; M420-R422 VanDerWaalsContact C-N 3.32Å; M420-R422 PolarHBondContact O-N 3.48Å
421E46.4Very low53.6Low162 Ų162159.6 Ų159.676%0.75780%0.795SS**  trans-57.298.4168.3-68.3-92136.100106.9R419 K423R419-E421 PolarHBondContact O-N 3.32Å; R419-E421 VanDerWaalsContact O-N 3.17Å; E421-K423 PolarHBondContact O-N 2.9Å; E421-K423 VanDerWaalsContact O-N 3.12Å
422R53.8Low53.3Low195 Ų195160.9 Ų160.974%0.73680%0.795SS**  trans-57.9118166.7-107.9178.7175.2144.5-0.4105.4E408 M420 V424E408-R422 IonicContact OE2-NH2 2.97Å; E408-R422 PolarHBondContact OE2-NH2 3.37Å; M420-R422 VanDerWaalsContact C-N 3.32Å; M420-R422 PolarHBondContact O-N 3.48Å; R422-V424 PolarHBondContact O-N 3.06Å
423K48.3Very low53.2Low205 Ų205157.9 Ų157.989%0.89179%0.793SS**  trans-53.6113166.7-79.3-164.4174.9-174.10106.8E421 E425E421-K423 PolarHBondContact O-N 2.9Å; E421-K423 VanDerWaalsContact O-N 3.12Å; K423-E425 PolarHBondContact O-N 3.36Å
424V46.1Very low53.1Low130 Ų130163.1 Ų163.179%0.78880%0.798SS**  trans-61.8102.2170.9172.60000105.7R422 E426R422-V424 PolarHBondContact O-N 3.06Å; V424-E426 PolarHBondContact O-N 2.81Å
425E55.1Low53.1Low179 Ų179160.1 Ų160.184%0.83680%0.796SS**  trans-62.7127.3158.7-164.4178.4-176.500106.3K423 V427K423-E425 PolarHBondContact O-N 3.36Å; E425-V427 PolarHBondContact O-N 2.93Å
426E55Low53.4Low183 Ų183156.4 Ų156.486%0.85579%0.79SS**  trans-56.297.6-169.6-154.5175.3-154.600110.2V424 K428V424-E426 PolarHBondContact O-N 2.81Å; E426-K428 PolarHBondContact O-N 2.84Å
427V50.1Low53.6Low123 Ų123152.3 Ų152.375%0.74579%0.786SS**  trans-63.5109.8170175.20000106E425E425-V427 PolarHBondContact O-N 2.93Å
428K58.3Low54.1Low183 Ų183146.6 Ų146.680%0.79678%0.778SS**PPolyproline II helixtrans-47.7130.9167.8-78-175.3175.6-178.50108.3E426E426-K428 PolarHBondContact O-N 2.84Å
429P58.1Low55Low111 Ų111146.5 Ų146.572%0.72178%0.78SS**PPolyproline II helixtrans-55.3142174.124-32.6000109S431P429-S431 PolarHBondContact O-N 3.06Å
430P55.5Low55.3Low118 Ų118143.9 Ų143.977%0.76678%0.776SS**PPolyproline II helixtrans-53.9135.1173.424-32.7000108.5
431S56.8Low55.5Low101 Ų101146.7 Ų146.771%0.70679%0.785SS**PPolyproline II helixtrans-51133.6175.552.70000109P429 V433P429-S431 PolarHBondContact O-N 3.06Å; S431-V433 PolarHBondContact O-N 2.85Å
432P54.3Low56.6Low120 Ų120142.3 Ų142.378%0.77978%0.783SS**PPolyproline II helixtrans-55.9119.8-17821.1-31000109.3K434P432-K434 PolarHBondContact O-N 3.03Å
433V53Low57.4Low135 Ų135138.1 Ų138.182%0.81878%0.779SS**PPolyproline II helixtrans-55.2121.3167.61760000106S431 A435S431-V433 PolarHBondContact O-N 2.85Å; V433-A435 PolarHBondContact O-N 3.08Å
434K54.4Low58.2Low201 Ų201133.5 Ų133.587%0.87477%0.77SS**  trans-58.3102.3172.3-68.5178.5179.7178.40107P432 V436P432-K434 PolarHBondContact O-N 3.03Å; K434-V436 PolarHBondContact O-N 3.44Å
435A52.7Low59.2Low88 Ų88135.3 Ų135.373%0.72777%0.767SS**  trans-60.4129.2170.500000107.4V433 S437V433-A435 PolarHBondContact O-N 3.08Å; A435-S437 PolarHBondContact O-N 3.32Å
436V64.1Low60.1Low136 Ų136134.8 Ų134.882%0.82477%0.765SS**  trans-54.6123.4169.7178.70000106.9K434 V438K434-V436 PolarHBondContact O-N 3.44Å; V436-V438 PolarHBondContact O-N 2.85Å; V436-V438 VanDerWaalsContact O-N 3.1Å
437S61.9Low60.7Low106 Ų106129.8 Ų129.874%0.74175%0.749SS**  trans-58.8115.6-178.550.70000109.5A435A435-S437 PolarHBondContact O-N 3.32Å
438V63.6Low61.3Low129 Ų129133 Ų13378%0.78276%0.755SS**PPolyproline II helixtrans-64.5133.4172-174.50000107.7V436 H440V436-V438 PolarHBondContact O-N 2.85Å; V436-V438 VanDerWaalsContact O-N 3.1Å; V438-H440 PolarHBondContact O-N 2.88Å
439P67.1Low61.7Low102 Ų102131.1 Ų131.166%0.66275%0.753SS**PPolyproline II helixtrans-53.3134.5176.4-23.332000110.9F441P439-F441 PolarHBondContact O-N 2.95Å
440H57.8Low61.8Low159 Ų159131.6 Ų131.674%0.73676%0.757SS**PPolyproline II helixtrans-56.1127.5-178.3-173.368.2000111.1V438 G442 V443V438-H440 PolarHBondContact O-N 2.88Å; H440-G442 PolarHBondContact O-N 3.47Å; H440-V443 PolarHBondContact O-N 3.26Å
441F53.8Low61.9Low215 Ų215133.3 Ų133.394%0.94375%0.754SS**THydrogen-bonded Turntrans-64.9106.9-177.7-144.8-91.1000109.3P439P439-F441 PolarHBondContact O-N 2.95Å
442G68.9Low62Low70 Ų70134 Ų13472%0.72276%0.759SS**THydrogen-bonded Turntrans142.8-17.3-17800000114.6H440H440-G442 PolarHBondContact O-N 3.47Å
443V70.3Confident62Low107 Ų107135.4 Ų135.465%0.64876%0.755SS**SBendtrans-93.7124.2170.3-170.60000108.4H440 F445H440-V443 PolarHBondContact O-N 3.26Å; V443-F445 PolarHBondContact O-N 3.47Å; V443-F445 VanDerWaalsContact O-N 3.09Å
444P66.3Low62.2Low108 Ų108137.7 Ų137.770%0.70176%0.757SS**  trans-58.6119.3178.322.7-31.4000109.4Q446P444-Q446 PolarHBondContact O-N 2.93Å
445F66.5Low62Low167 Ų167133.5 Ų133.573%0.73275%0.748SS**  trans-61.1107.4176.2171.8-109.8000109.1V443 P447V443-F445 PolarHBondContact O-N 3.47Å; V443-F445 VanDerWaalsContact O-N 3.09Å; F445-P447 HydrophobicContact CD1-CB 4.49Å; F445-P447 HydrophobicContact CD1-CG 4.47Å; F445-P447 HydrophobicContact CE1-CB 3.68Å; F445-P447 HydrophobicContact CE1-CG 4.02Å; F445-P447 HydrophobicContact CZ-CB 3.78Å; F445-P447 VanDerWaalsContact O-CD 3.26Å; F445-P447 WeakPolarHBondContact O-CD 3.37Å
446Q72.9Confident62.3Low169 Ų169137.7 Ų137.779%0.7975%0.752SS**  trans-93.6101.8166-73.9-175.6-13.900107.6P444 Q448P444-Q446 PolarHBondContact O-N 2.93Å; Q446-Q448 PolarHBondContact O-N 3.48Å
447P68.9Low61.8Low78 Ų78137.1 Ų137.151%0.50675%0.749SS.*  trans-60.6123173.823.1-30.1000108.6F445 L449F445-P447 HydrophobicContact CD1-CB 4.49Å; F445-P447 HydrophobicContact CD1-CG 4.47Å; F445-P447 HydrophobicContact CE1-CB 3.68Å; F445-P447 HydrophobicContact CE1-CG 4.02Å; F445-P447 HydrophobicContact CZ-CB 3.78Å; F445-P447 VanDerWaalsContact O-CD 3.26Å; F445-P447 WeakPolarHBondContact O-CD 3.37Å; P447-L449 PolarHBondContact O-N 2.76Å
448Q62.9Low61.6Low189 Ų189137.5 Ų137.588%0.88375%0.75SS**  trans-62.9101.8166.2-67.4-91.7-23.400106.3Q446Q446-Q448 PolarHBondContact O-N 3.48Å
449L66.4Low61.4Low145 Ų145135.7 Ų135.776%0.75974%0.741SS**PPolyproline II helixtrans-60.2131.6170.5-68.9172.7000106.8P447 E451P447-L449 PolarHBondContact O-N 2.76Å; L449-E451 PolarHBondContact O-N 3.02Å
450P59.8Low60.4Low121 Ų121140.1 Ų140.179%0.78675%0.75SS**PPolyproline II helixtrans-55.1121.6177.421.8-30.6000107.9S452P450-S452 PolarHBondContact O-N 3.32Å
451E58.6Low60.5Low154 Ų154136.2 Ų136.272%0.7274%0.741SS**PPolyproline II helixtrans-51.8126.5171.3-166.2169.5-173.500106.7L449 H453L449-E451 PolarHBondContact O-N 3.02Å; E451-H453 PolarHBondContact O-CD2 3.2Å; E451-H453 PolarHBondContact O-N 3.07Å
452S58.6Low60.8Low116 Ų116130.8 Ų130.881%0.81172%0.717SS**  trans-68.281.6-178.564.20000108.3P450 Q454P450-S452 PolarHBondContact O-N 3.32Å; S452-Q454 PolarHBondContact O-N 3.47Å
453H53.3Low61.1Low148 Ų148132.6 Ų132.669%0.68571%0.707SS**  trans-57.8112.2162.6-68.7-74.7000105.4E451 V455E451-H453 PolarHBondContact O-CD2 3.2Å; E451-H453 PolarHBondContact O-N 3.07Å; H453-V455 PolarHBondContact O-N 3.18Å
454Q57.1Low61.3Low183 Ų183134 Ų13486%0.85571%0.706SS**  trans-62.989.3163.9-173.1171.44.500105.8S452 E456S452-Q454 PolarHBondContact O-N 3.47Å; Q454-E456 PolarHBondContact O-N 3.01Å; Q454-E456 VanDerWaalsContact O-N 3.08Å
455V49.9Very low61.8Low114 Ų114135.7 Ų135.769%0.69170%0.699SS**  trans-65.6105.3168176.90000104.3H453 V457H453-V455 PolarHBondContact O-N 3.18Å; V455-V457 PolarHBondContact O-N 3.42Å
456E59.9Low62.4Low175 Ų175130.4 Ų130.482%0.81868%0.678SS**  trans-56.3112.4161.6-70.5-170.8174.700105.7Q454 C458Q454-E456 PolarHBondContact O-N 3.01Å; Q454-E456 VanDerWaalsContact O-N 3.08Å; E456-C458 PolarHBondContact O-N 3.1Å
457V54.2Low63Low125 Ų125128 Ų12876%0.75867%0.665SS**  trans-67.984.1174.3-1780000105.4V455 P459V455-V457 PolarHBondContact O-N 3.42Å; V457-P459 WeakPolarHBondContact O-CD 3.39Å
458C57Low63.7Low113 Ų113130.1 Ų130.176%0.76467%0.668SS**  trans-74.1105.3164.5-158.10000104.4E456 F460E456-C458 PolarHBondContact O-N 3.1Å; C458-F460 PolarHBondContact O-N 3.27Å
459P59.2Low64.7Low91 Ų91127.4 Ų127.459%0.59165%0.65SS**  trans-57.5133.9-177.125.5-33.3000107.8V457 S461V457-P459 WeakPolarHBondContact O-CD 3.39Å; P459-S461 PolarHBondContact O-N 3.01Å
460F46.2Very low65.3Low196 Ų196126.1 Ų126.186%0.8664%0.64SS**  trans-64.47317837.4-91.5000110.2C458 F462C458-F460 PolarHBondContact O-N 3.27Å; F460-F462 PolarHBondContact O-N 3.33Å
461S60Low66.7Low77 Ų77122.4 Ų122.454%0.53862%0.619SS.*  trans-74.696175650000108.5P459 E463P459-S461 PolarHBondContact O-N 3.01Å; S461-E463 PolarHBondContact O-N 2.84Å
462F60.1Low67.9Low100 Ų100121.1 Ų121.144%0.43962%0.617SS.*THydrogen-bonded Turntrans-60.7-12.1171.6-133.7-99.4000112.5F460 Q464 R465 D466 R469F460-F462 PolarHBondContact O-N 3.33Å; F462-Q464 VanDerWaalsContact C-N 3.3Å; F462-Q464 PolarHBondContact O-N 3.38Å; F462-R465 HydrophobicContact CD1-CB 4.45Å; F462-R465 VanDerWaalsContact CD2-NH1 3.27Å; F462-R465 CarbonylContact O-C 3.52Å; F462-R465 WeakPolarHBondContact O-CA 3.45Å; F462-R465 WeakPolarHBondContact O-CB 3.44Å; F462-R465 PolarHBondContact O-N 2.97Å; F462-D466 WeakPolarHBondContact CD1-OD1 3.26Å; F462-D466 WeakPolarHBondContact O-CB 3.33Å; F462-D466 PolarHBondContact O-N 2.91Å; F462-R469 VanDerWaalsContact CE1-NH2 3.3Å
463E74.4Confident69.1Low108 Ų108122 Ų12251%0.50561%0.606SS.*Hα-helixtrans-58.5-38.2-177.4-155.7179.2150.400112.9S461 D466 K467S461-E463 PolarHBondContact O-N 2.84Å; E463-D466 PolarHBondContact O-N 3.02Å; E463-K467 HydrophobicContact CG-CD 4.49Å; E463-K467 WeakPolarHBondContact O-CB 3.35Å; E463-K467 VanDerWaalsContact O-CG 3.22Å; E463-K467 WeakPolarHBondContact O-CG 3.45Å; E463-K467 PolarHBondContact O-N 3.49Å; E463-K467 WeakPolarHBondContact OE1-CE 3.37Å; E463-K467 IonicContact OE1-NZ 2.67Å; E463-K467 PolarHBondContact OE1-NZ 3.27Å
464Q76.2Confident70.6Confident137 Ų137121.5 Ų121.564%0.6460%0.604SS**Hα-helixtrans-63.9-43.5174.4-161.6106.5400111F462 K467 E468F462-Q464 VanDerWaalsContact C-N 3.3Å; F462-Q464 PolarHBondContact O-N 3.38Å; Q464-K467 PolarHBondContact O-N 2.89Å; Q464-E468 WeakPolarHBondContact O-CG 3.4Å; Q464-E468 PolarHBondContact O-N 2.74Å
465R74.9Confident72.1Confident144 Ų144120.1 Ų120.154%0.54360%0.595SS.*Hα-helixtrans-72.1-33.5179.9-172.6-175.7-69.8143.2-2.4112.4F462 R469F462-R465 HydrophobicContact CD1-CB 4.45Å; F462-R465 VanDerWaalsContact CD2-NH1 3.27Å; F462-R465 CarbonylContact O-C 3.52Å; F462-R465 WeakPolarHBondContact O-CA 3.45Å; F462-R465 WeakPolarHBondContact O-CB 3.44Å; F462-R465 PolarHBondContact O-N 2.97Å; R465-R469 WeakPolarHBondContact O-CB 3.37Å; R465-R469 PolarHBondContact O-N 3.31Å
466D79.8Confident73.7Confident56 Ų56123.3 Ų123.330%0.29960%0.595SS.*Hα-helixtrans-70.8-42.5174.9-75.3-29.1000110.6F462 E463 R469 Q470F462-D466 WeakPolarHBondContact CD1-OD1 3.26Å; F462-D466 WeakPolarHBondContact O-CB 3.33Å; F462-D466 PolarHBondContact O-N 2.91Å; E463-D466 PolarHBondContact O-N 3.02Å; D466-R469 PolarHBondContact O-N 2.89Å; D466-R469 IonicContact OD1-CZ 3.68Å; D466-R469 IonicContact OD1-NH1 2.7Å; D466-R469 PolarHBondContact OD1-NH1 2.87Å; D466-R469 IonicContact OD1-NH2 2.83Å; D466-R469 PolarHBondContact OD1-NH2 3.16Å; D466-Q470 WeakPolarHBondContact O-CB 3.34Å; D466-Q470 VanDerWaalsContact O-CG 3.31Å; D466-Q470 WeakPolarHBondContact O-CG 3.34Å; D466-Q470 PolarHBondContact O-N 2.97Å
467K84.8Confident74.4Confident119 Ų119118.8 Ų118.852%0.51758%0.575SS.*Hα-helixtrans-60.9-44.3172.4-75.2171.6-175.8165.60111.6E463 Q464 R469 Q470 A471E463-K467 HydrophobicContact CG-CD 4.49Å; E463-K467 WeakPolarHBondContact O-CB 3.35Å; E463-K467 VanDerWaalsContact O-CG 3.22Å; E463-K467 WeakPolarHBondContact O-CG 3.45Å; E463-K467 PolarHBondContact O-N 3.49Å; E463-K467 WeakPolarHBondContact OE1-CE 3.37Å; E463-K467 IonicContact OE1-NZ 2.67Å; E463-K467 PolarHBondContact OE1-NZ 3.27Å; Q464-K467 PolarHBondContact O-N 2.89Å; K467-R469 PolarHBondContact O-N 3.4Å; K467-Q470 PolarHBondContact O-N 3.28Å; K467-A471 WeakPolarHBondContact O-CB 3.4Å; K467-A471 PolarHBondContact O-N 2.93Å
468E83.6Confident75.7Confident122 Ų122114.6 Ų114.657%0.5755%0.554SS**Hα-helixtrans-63.2-40.2174.8-79.5179.9171.400112.7Q464 A471 L472Q464-E468 WeakPolarHBondContact O-CG 3.4Å; Q464-E468 PolarHBondContact O-N 2.74Å; E468-A471 PolarHBondContact O-N 3.46Å; E468-L472 WeakPolarHBondContact O-CB 3.38Å; E468-L472 PolarHBondContact O-N 3.04Å
469R84.4Confident76.9Confident132 Ų132115.1 Ų115.150%0.49855%0.545SS..Hα-helixtrans-65.8-39.2176.7-163.7-170.5-48.1136.425.4111.7F462 R465 D466 K467 K473F462-R469 VanDerWaalsContact CE1-NH2 3.3Å; R465-R469 WeakPolarHBondContact O-CB 3.37Å; R465-R469 PolarHBondContact O-N 3.31Å; D466-R469 PolarHBondContact O-N 2.89Å; D466-R469 IonicContact OD1-CZ 3.68Å; D466-R469 IonicContact OD1-NH1 2.7Å; D466-R469 PolarHBondContact OD1-NH1 2.87Å; D466-R469 IonicContact OD1-NH2 2.83Å; D466-R469 PolarHBondContact OD1-NH2 3.16Å; K467-R469 PolarHBondContact O-N 3.4Å; R469-K473 WeakPolarHBondContact O-CB 3.31Å; R469-K473 PolarHBondContact O-N 3.13Å; R469-K473 VanDerWaalsContact O-N 3.08Å
470Q79.9Confident77.7Confident118 Ų118116 Ų11655%0.55154%0.544SS*.Hα-helixtrans-66.5-47.4175.1-74.3173.8-6.400111D466 K467 L472 K473 E474D466-Q470 WeakPolarHBondContact O-CB 3.34Å; D466-Q470 VanDerWaalsContact O-CG 3.31Å; D466-Q470 WeakPolarHBondContact O-CG 3.34Å; D466-Q470 PolarHBondContact O-N 2.97Å; K467-Q470 PolarHBondContact O-N 3.28Å; Q470-L472 VanDerWaalsContact C-N 3.33Å; Q470-L472 PolarHBondContact O-N 2.98Å; Q470-K473 CarbonylContact O-C 3.6Å; Q470-K473 WeakPolarHBondContact O-CA 3.48Å; Q470-K473 WeakPolarHBondContact O-CB 3.46Å; Q470-K473 PolarHBondContact O-N 2.85Å; Q470-E474 PolarHBondContact O-N 3.25Å
471A87.9Confident78.7Confident43 Ų43114 Ų11436%0.35554%0.538SS..Hα-helixtrans-60.8-39.3177.600000112.5K467 E468 K475K467-A471 WeakPolarHBondContact O-CB 3.4Å; K467-A471 PolarHBondContact O-N 2.93Å; E468-A471 PolarHBondContact O-N 3.46Å; A471-K475 WeakPolarHBondContact O-CB 3.22Å; A471-K475 WeakPolarHBondContact O-CG 3.5Å; A471-K475 PolarHBondContact O-N 2.84Å
472L85.4Confident79Confident126 Ų126116.4 Ų116.466%0.6655%0.545SS*.Hα-helixtrans-64.4-39.5172.7-91.4161.7000112.3E468 Q470 R476E468-L472 WeakPolarHBondContact O-CB 3.38Å; E468-L472 PolarHBondContact O-N 3.04Å; Q470-L472 VanDerWaalsContact C-N 3.33Å; Q470-L472 PolarHBondContact O-N 2.98Å; L472-R476 WeakPolarHBondContact O-CB 3.29Å; L472-R476 PolarHBondContact O-N 2.86Å
473K83.2Confident79.3Confident136 Ų136117.5 Ų117.559%0.59155%0.551SS**Hα-helixtrans-68.3-41.3178.6-169.7-179.6179.4-175.10111.6R469 Q470 R476 L477R469-K473 WeakPolarHBondContact O-CB 3.31Å; R469-K473 PolarHBondContact O-N 3.13Å; R469-K473 VanDerWaalsContact O-N 3.08Å; Q470-K473 CarbonylContact O-C 3.6Å; Q470-K473 WeakPolarHBondContact O-CA 3.48Å; Q470-K473 WeakPolarHBondContact O-CB 3.46Å; Q470-K473 PolarHBondContact O-N 2.85Å; K473-R476 PolarHBondContact O-N 2.79Å; K473-L477 WeakPolarHBondContact O-CG 3.33Å; K473-L477 PolarHBondContact O-N 2.95Å
474E84.7Confident78.7Confident136 Ų136120.4 Ų120.464%0.63657%0.565SS**Hα-helixtrans-67.8-45175.5-74.5-179.4170.600112Q470 R476 L477 A478Q470-E474 PolarHBondContact O-N 3.25Å; E474-R476 VanDerWaalsContact C-N 3.27Å; E474-R476 PolarHBondContact O-N 3.29Å; E474-L477 PolarHBondContact O-N 3.01Å; E474-L477 VanDerWaalsContact O-N 3.09Å; E474-A478 WeakPolarHBondContact O-CB 3.38Å; E474-A478 PolarHBondContact O-N 3.2Å
475K87.9Confident78Confident154 Ų154119.2 Ų119.267%0.6757%0.567SS**Hα-helixtrans-56.6-41.9173.8-80.8-176.7175.8-176.90112A471 A478 E479A471-K475 WeakPolarHBondContact O-CB 3.22Å; A471-K475 WeakPolarHBondContact O-CG 3.5Å; A471-K475 PolarHBondContact O-N 2.84Å; K475-A478 PolarHBondContact O-N 3.09Å; K475-E479 WeakPolarHBondContact O-CB 3.33Å; K475-E479 PolarHBondContact O-N 2.92Å
476R83.4Confident77.3Confident182 Ų182118 Ų11869%0.68758%0.577SS**Hα-helixtrans-67.5-34.8177.5-158.7-176-156.4175.96.8112.7L472 K473 E474 L480L472-R476 WeakPolarHBondContact O-CB 3.29Å; L472-R476 PolarHBondContact O-N 2.86Å; K473-R476 PolarHBondContact O-N 2.79Å; E474-R476 VanDerWaalsContact C-N 3.27Å; E474-R476 PolarHBondContact O-N 3.29Å; R476-L480 WeakPolarHBondContact O-CG 3.29Å; R476-L480 PolarHBondContact O-N 3.17Å; R476-L480 VanDerWaalsContact O-N 3.11Å
477L76.1Confident76.2Confident79 Ų79122.9 Ų122.941%0.41460%0.598SS.*Hα-helixtrans-70.1-41.2174.3-77.3166000111.4K473 E474 L480 Q481K473-L477 WeakPolarHBondContact O-CG 3.33Å; K473-L477 PolarHBondContact O-N 2.95Å; E474-L477 PolarHBondContact O-N 3.01Å; E474-L477 VanDerWaalsContact O-N 3.09Å; L477-L480 PolarHBondContact O-N 3.42Å; L477-Q481 VanDerWaalsContact O-CG 3.31Å; L477-Q481 WeakPolarHBondContact O-CG 3.42Å; L477-Q481 PolarHBondContact O-N 2.99Å
478A81.1Confident74.9Confident38 Ų38126.2 Ų126.231%0.31461%0.613SS.*Hα-helixtrans-65.3-38.7174.900000111.8E474 K475 Q481 N482E474-A478 WeakPolarHBondContact O-CB 3.38Å; E474-A478 PolarHBondContact O-N 3.2Å; K475-A478 PolarHBondContact O-N 3.09Å; A478-Q481 PolarHBondContact O-N 3.36Å; A478-N482 VanDerWaalsContact O-CB 3.29Å; A478-N482 WeakPolarHBondContact O-CB 3.44Å; A478-N482 PolarHBondContact O-N 3.4Å; A478-N482 PolarHBondContact O-ND2 2.95Å; A478-N482 VanDerWaalsContact O-ND2 3.13Å
479E82Confident74Confident123 Ų123129.3 Ų129.358%0.57562%0.624SS**Hα-helixtrans-62.2-45174.1-170.3174.4-159.600111.5K475 Q481 N482 E483K475-E479 WeakPolarHBondContact O-CB 3.33Å; K475-E479 PolarHBondContact O-N 2.92Å; E479-Q481 VanDerWaalsContact C-N 3.28Å; E479-Q481 PolarHBondContact O-N 3.47Å; E479-N482 CarbonylContact O-C 3.57Å; E479-N482 PolarHBondContact O-N 3Å; E479-E483 WeakPolarHBondContact O-CG 3.29Å; E479-E483 PolarHBondContact O-N 3.46Å
480L74.6Confident73Confident109 Ų109126.5 Ų126.557%0.57163%0.629SS**Hα-helixtrans-66.1-27174.7-73.3169.2000113.8R476 L477R476-L480 WeakPolarHBondContact O-CG 3.29Å; R476-L480 PolarHBondContact O-N 3.17Å; R476-L480 VanDerWaalsContact O-N 3.11Å; L477-L480 PolarHBondContact O-N 3.42Å
481Q68.3Low72.6Confident156 Ų156129.6 Ų129.673%0.72964%0.644SS**Hα-helixtrans-79.8-33.1174.5-74.9176.9-8.700112.1L477 A478 E479L477-Q481 VanDerWaalsContact O-CG 3.31Å; L477-Q481 WeakPolarHBondContact O-CG 3.42Å; L477-Q481 PolarHBondContact O-N 2.99Å; A478-Q481 PolarHBondContact O-N 3.36Å; E479-Q481 VanDerWaalsContact C-N 3.28Å; E479-Q481 PolarHBondContact O-N 3.47Å
482N66.8Low72.1Confident126 Ų126133.1 Ų133.167%0.67466%0.663SS**Hα-helixtrans-86.3-15.8178.3-68.1-28.5000113.2A478 E479 E484A478-N482 VanDerWaalsContact O-CB 3.29Å; A478-N482 WeakPolarHBondContact O-CB 3.44Å; A478-N482 PolarHBondContact O-N 3.4Å; A478-N482 PolarHBondContact O-ND2 2.95Å; A478-N482 VanDerWaalsContact O-ND2 3.13Å; E479-N482 CarbonylContact O-C 3.57Å; E479-N482 PolarHBondContact O-N 3Å; N482-E484 PolarHBondContact O-N 3.3Å
483E65.8Low71.3Confident124 Ų124134.4 Ų134.458%0.57967%0.67SS**SBendtrans-64.785.4163.7-83.1-177.316700108.2E479 V485E479-E483 WeakPolarHBondContact O-CG 3.29Å; E479-E483 PolarHBondContact O-N 3.46Å; E483-V485 PolarHBondContact O-N 3.01Å; E483-V485 VanDerWaalsContact O-N 3.17Å
484E62.1Low70.7Confident168 Ų168132.4 Ų132.479%0.78567%0.671SS**  trans-48.8123.7170.1-74.8-174.3159.800109N482 P486N482-E484 PolarHBondContact O-N 3.3Å; E484-P486 VanDerWaalsContact O-N 3.16Å
485V60.3Low70Confident113 Ų113132.3 Ų132.369%0.68568%0.675SS**  trans-46.5123.6179.2-179.20000108.7E483 H487E483-V485 PolarHBondContact O-N 3.01Å; E483-V485 VanDerWaalsContact O-N 3.17Å; V485-H487 PolarHBondContact O-N 3.21Å; V485-H487 PolarHBondContact O-ND1 3.42Å
486P62Low69Low117 Ų117132.4 Ų132.476%0.7668%0.675SS**  trans-55.1108.5178-26.133.6000109.4E484 F488E484-P486 VanDerWaalsContact O-N 3.16Å; P486-F488 PolarHBondContact O-N 2.93Å
487H56.4Low68.4Low160 Ų160130.8 Ų130.874%0.74168%0.68SS**  trans-68.896.9177.8-73.971.3000107.6V485 K489V485-H487 PolarHBondContact O-N 3.21Å; V485-H487 PolarHBondContact O-ND1 3.42Å; H487-K489 VanDerWaalsContact C-N 3.29Å; H487-K489 PolarHBondContact O-N 3.46Å
488F56.6Low68Low189 Ų189130.5 Ų130.583%0.82969%0.69SS**  trans-65.688.4175.8-179.4-101.8000109.5P486 A490P486-F488 PolarHBondContact O-N 2.93Å; F488-A490 HydrophobicContact CE1-CB 4.03Å; F488-A490 HydrophobicContact CZ-CB 4.36Å
489K64.8Low67.1Low186 Ų186134.4 Ų134.481%0.80971%0.709SS**  trans-86.9101.9165.5-78-178.2177.5177.20107.7H487 Q491H487-K489 VanDerWaalsContact C-N 3.29Å; H487-K489 PolarHBondContact O-N 3.46Å; K489-Q491 PolarHBondContact O-N 3.04Å
490A64.3Low66.4Low73 Ų73134.5 Ų134.560%0.60372%0.718SS**PPolyproline II helixtrans-59.4119.3169.600000108.6F488F488-A490 HydrophobicContact CE1-CB 4.03Å; F488-A490 HydrophobicContact CZ-CB 4.36Å
491Q72Confident66.1Low184 Ų184136 Ų13686%0.8673%0.726SS**PPolyproline II helixtrans-68128.7171.6-71-154.4-16.600108.6K489K489-Q491 PolarHBondContact O-N 3.04Å
492P76.9Confident66.2Low116 Ų116134.1 Ų134.175%0.75373%0.727SS**PPolyproline II helixtrans-60.5145.6177.225.3-32.5000110
493L68.1Low66.4Low153 Ų153136.7 Ų136.780%0.80174%0.735SS**PPolyproline II helixtrans-54.4128.5178.7-88.4147.3000109.9D495 F496L493-D495 PolarHBondContact O-N 2.92Å; L493-F496 HydrophobicContact CD2-CE2 4.42Å
494P71.1Confident66.3Low94 Ų94140.2 Ų140.261%0.6175%0.749SS**PPolyproline II helixtrans-57.2138.3175.7-23.933.5000110.9F496P494-F496 WeakPolarHBondContact O-CD2 3.31Å; P494-F496 WeakPolarHBondContact O-CE2 3.5Å; P494-F496 PolarHBondContact O-N 3.35Å
495D69.6Low66.8Low135 Ų135140.8 Ų140.872%0.72275%0.748SS**  trans-76113.8-177.5-147-15.1000109.9L493 N497L493-D495 PolarHBondContact O-N 2.92Å; D495-N497 VanDerWaalsContact C-N 3.25Å; D495-N497 PolarHBondContact O-N 3.16Å; D495-N497 PolarHBondContact OD1-ND2 3.22Å
496F67Low67.3Low155 Ų155145.1 Ų145.168%0.6876%0.758SS**THydrogen-bonded Turntrans-83.16.8-169.9-67.1-79.1000114.3L493 P494 A498L493-F496 HydrophobicContact CD2-CE2 4.42Å; P494-F496 WeakPolarHBondContact O-CD2 3.31Å; P494-F496 WeakPolarHBondContact O-CE2 3.5Å; P494-F496 PolarHBondContact O-N 3.35Å; F496-A498 VanDerWaalsContact C-N 3.31Å; F496-A498 PolarHBondContact O-N 3Å
497N70.9Confident67.4Low148 Ų148147.1 Ų147.179%0.79176%0.761SS**THydrogen-bonded Turntrans-77.7-12.3-172.2-68.5-47.3000114.2D495D495-N497 VanDerWaalsContact C-N 3.25Å; D495-N497 PolarHBondContact O-N 3.16Å; D495-N497 PolarHBondContact OD1-ND2 3.22Å
498A66.9Low68.2Low74 Ų74147.2 Ų147.261%0.61276%0.762SS**  trans-139.6100.7172.700000110.3F496 V500F496-A498 VanDerWaalsContact C-N 3.31Å; F496-A498 PolarHBondContact O-N 3Å; A498-V500 VanDerWaalsContact C-N 3.3Å; A498-V500 PolarHBondContact O-N 2.72Å
499V62.2Low68.9Low120 Ų120143.8 Ų143.873%0.72776%0.759SS**  trans-76.186.1171.6-177.40000108.2L501V499-L501 HydrophobicContact CG1-CD2 4.34Å; V499-L501 HydrophobicContact CG1-CG 4.02Å; V499-L501 PolarHBondContact O-N 3.43Å
500V67.4Low69Low125 Ų125140.9 Ų140.976%0.75876%0.757SS**  trans-84.193.6165.3-175.40000107A498 P502A498-V500 VanDerWaalsContact C-N 3.3Å; A498-V500 PolarHBondContact O-N 2.72Å; V500-P502 WeakPolarHBondContact O-CD 3.44Å
501L69Low69.4Low141 Ų141146.2 Ų146.274%0.73877%0.767SS**PPolyproline II helixtrans-61.7125.7169.8-74.2164.6000108.1V499 E503V499-L501 HydrophobicContact CG1-CD2 4.34Å; V499-L501 HydrophobicContact CG1-CG 4.02Å; V499-L501 PolarHBondContact O-N 3.43Å; L501-E503 PolarHBondContact O-N 2.85Å
502P70.6Confident69.2Low116 Ų116143.3 Ų143.375%0.75376%0.764SS**PPolyproline II helixtrans-57.2133.3176.5-21.631.2000110V500 K504V500-P502 WeakPolarHBondContact O-CD 3.44Å; P502-K504 PolarHBondContact O-N 2.89Å
503E70.7Confident68.9Low179 Ų179146 Ų14684%0.83677%0.766SS**PPolyproline II helixtrans-58.5125.5178.2-161.7178-169.700109.7L501 K505L501-E503 PolarHBondContact O-N 2.85Å; E503-K505 PolarHBondContact O-N 2.81Å
504K64.2Low69.3Low199 Ų199144.1 Ų144.187%0.86576%0.763SS**  trans-69.491-171-170.4179.2-177.41790110.2P502 K506P502-K504 PolarHBondContact O-N 2.89Å; K504-K506 PolarHBondContact O-N 2.72Å
505K72.9Confident69.1Low180 Ų180147.4 Ų147.478%0.78377%0.768SS**  trans-65.3123.5173.2-63.3-174.9-179.6-178.10109.5E503 L507E503-K505 PolarHBondContact O-N 2.81Å; K505-L507 PolarHBondContact O-N 3.46Å
506K69.3Low69.2Low204 Ų204150.4 Ų150.489%0.88777%0.769SS**  trans-68.6111.6171.2-64.6178.8-176.4176.20107.2K504K504-K506 PolarHBondContact O-N 2.72Å
507L64.6Low69.4Low158 Ų158146 Ų14683%0.82775%0.753SS**  trans-74.6128.8177.3-65.8172.4000108.9K505K505-L507 PolarHBondContact O-N 3.46Å
508E74.2Confident69.2Low162 Ų162145.9 Ų145.976%0.75775%0.747SS**  trans-59.9149.7169.4-72.9-63.3143.400110.5T510E508-T510 PolarHBondContact O-N 2.83Å
509P70.1Confident69.2Low118 Ų118148.1 Ų148.177%0.76675%0.747SS**  trans-53.5115179.1-24.633.6000111.9K511P509-K511 PolarHBondContact O-N 3.17Å; P509-K511 VanDerWaalsContact O-N 3.11Å
510T66.5Low69.7Low124 Ų124147.2 Ų147.276%0.76174%0.738SS**  trans-62110.3-177.2-47.90000110.5E508E508-T510 PolarHBondContact O-N 2.83Å
511K73.4Confident70Confident186 Ų186144.8 Ų144.881%0.80972%0.719SS**  trans-63.9124.6158.6-67.5179-177.1174.20106.4P509 E513P509-K511 PolarHBondContact O-N 3.17Å; P509-K511 VanDerWaalsContact O-N 3.11Å; K511-E513 PolarHBondContact O-N 2.73Å
512P68.1Low70.2Confident123 Ų123147.6 Ų147.680%0.79972%0.719SS**  trans-65.7100.9-178.426.6-32.9000108.5
513E69.6Low70.2Confident172 Ų172143.1 Ų143.180%0.80470%0.695SS**  trans-62.1125.8161.1-170.4176.9178.300106.3K511 F515K511-E513 PolarHBondContact O-N 2.73Å; E513-F515 PolarHBondContact O-N 2.96Å
514P76.3Confident70.6Confident113 Ų113136.1 Ų136.173%0.73467%0.668SS**  trans-51.3115.9178.5-24.332.5000108.7R516P514-R516 PolarHBondContact O-N 2.82Å
515F68.3Low71.3Confident164 Ų164128.5 Ų128.572%0.71965%0.645SS**  trans-65.1114.9-17753.9-82.9000107.7E513 L517E513-F515 PolarHBondContact O-N 2.96Å; F515-L517 VanDerWaalsContact C-N 3.3Å; F515-L517 HydrophobicContact CD2-CD1 4.27Å; F515-L517 HydrophobicContact CD2-CD2 3.65Å; F515-L517 HydrophobicContact CD2-CG 3.53Å; F515-L517 HydrophobicContact CE2-CD1 3.68Å; F515-L517 HydrophobicContact CE2-CD2 3.64Å; F515-L517 HydrophobicContact CE2-CG 3.46Å; F515-L517 VanDerWaalsContact CE2-CG 3.46Å; F515-L517 PolarHBondContact O-N 3.4Å
516R71.6Confident71.5Confident197 Ų197128.3 Ų128.374%0.74364%0.639SS**  trans-70.390.2177.3-170.3167.6175.2178.1-9.7108.2P514 H518 E521P514-R516 PolarHBondContact O-N 2.82Å; R516-H518 PolarHBondContact O-N 3.46Å; R516-H518 VanDerWaalsContact O-N 3.15Å; R516-E521 HydrophobicContact CG-CG 4.37Å; R516-E521 IonicContact CZ-OE1 3.27Å; R516-E521 IonicContact NE-OE1 3.85Å; R516-E521 PolarHBondContact NE-OE1 3.48Å; R516-E521 IonicContact NH2-OE1 2.63Å; R516-E521 PolarHBondContact NH2-OE1 3.32Å
517L70.1Confident71.9Confident64 Ų64123.1 Ų123.134%0.33562%0.618SS.*  trans-61.6117.5176.1-76.7172.6000108.7F515 I519 D520 E521F515-L517 VanDerWaalsContact C-N 3.3Å; F515-L517 HydrophobicContact CD2-CD1 4.27Å; F515-L517 HydrophobicContact CD2-CD2 3.65Å; F515-L517 HydrophobicContact CD2-CG 3.53Å; F515-L517 HydrophobicContact CE2-CD1 3.68Å; F515-L517 HydrophobicContact CE2-CD2 3.64Å; F515-L517 HydrophobicContact CE2-CG 3.46Å; F515-L517 VanDerWaalsContact CE2-CG 3.46Å; F515-L517 PolarHBondContact O-N 3.4Å; L517-I519 HydrophobicContact CB-CB 4.4Å; L517-I519 PolarHBondContact O-N 2.93Å; L517-D520 HydrophobicContact CB-CB 4.19Å; L517-D520 WeakPolarHBondContact O-CA 3.3Å; L517-D520 WeakPolarHBondContact O-CB 3.41Å; L517-D520 PolarHBondContact O-N 3.35Å; L517-E521 PolarHBondContact O-N 2.99Å
518H67.3Low72.8Confident144 Ų144123.5 Ų123.567%0.66761%0.609SS**Hα-helixtrans-57.5-16.1168.5-67.3-60.7000112.9R516 E521 R522R516-H518 PolarHBondContact O-N 3.46Å; R516-H518 VanDerWaalsContact O-N 3.15Å; H518-E521 IonicContact CE1-OE2 3.46Å; H518-E521 IonicContact CG-OE2 2.58Å; H518-E521 IonicContact ND1-OE2 3.02Å; H518-E521 PolarHBondContact ND1-OE2 3.43Å; H518-R522 VanDerWaalsContact O-CB 3.25Å; H518-R522 WeakPolarHBondContact O-CB 3.5Å; H518-R522 PolarHBondContact O-N 3.07Å
519I67.9Low73.3Confident122 Ų122121.4 Ų121.463%0.62660%0.599SS**Hα-helixtrans-70.6-40.3171.2-59.5170.7000110.8L517 E521 R522 G523L517-I519 HydrophobicContact CB-CB 4.4Å; L517-I519 PolarHBondContact O-N 2.93Å; I519-E521 VanDerWaalsContact C-N 3.35Å; I519-R522 PolarHBondContact O-N 3.11Å; I519-G523 PolarHBondContact O-N 3.24Å
520D72.7Confident73.9Confident101 Ų101122.9 Ų122.954%0.5459%0.589SS.*Hα-helixtrans-68.2-38.3176.2-65.2-12.7000110.2L517 G523 A524L517-D520 HydrophobicContact CB-CB 4.19Å; L517-D520 WeakPolarHBondContact O-CA 3.3Å; L517-D520 WeakPolarHBondContact O-CB 3.41Å; L517-D520 PolarHBondContact O-N 3.35Å; D520-G523 CarbonylContact O-C 3.57Å; D520-G523 PolarHBondContact O-N 3.44Å; D520-A524 WeakPolarHBondContact O-CA 3.27Å; D520-A524 VanDerWaalsContact O-CB 3.29Å; D520-A524 WeakPolarHBondContact O-CB 3.46Å; D520-A524 PolarHBondContact O-N 3.19Å
521E73.8Confident75.1Confident74 Ų74121.5 Ų121.535%0.34657%0.574SS.*Hα-helixtrans-65.8-41.6174-57.7-172.212600112.6R516 L517 H518 I519 G523 A524R516-E521 HydrophobicContact CG-CG 4.37Å; R516-E521 IonicContact CZ-OE1 3.27Å; R516-E521 IonicContact NE-OE1 3.85Å; R516-E521 PolarHBondContact NE-OE1 3.48Å; R516-E521 IonicContact NH2-OE1 2.63Å; R516-E521 PolarHBondContact NH2-OE1 3.32Å; L517-E521 PolarHBondContact O-N 2.99Å; H518-E521 IonicContact CE1-OE2 3.46Å; H518-E521 IonicContact CG-OE2 2.58Å; H518-E521 IonicContact ND1-OE2 3.02Å; H518-E521 PolarHBondContact ND1-OE2 3.43Å; I519-E521 VanDerWaalsContact C-N 3.35Å; E521-G523 PolarHBondContact O-N 2.83Å; E521-A524 PolarHBondContact O-N 3.07Å
522R71.6Confident75.9Confident199 Ų199118.8 Ų118.875%0.75157%0.565SS**Hα-helixtrans-64.9-30174-171.3-172.6-63.2-157.2-1.1111.8H518 I519H518-R522 VanDerWaalsContact O-CB 3.25Å; H518-R522 WeakPolarHBondContact O-CB 3.5Å; H518-R522 PolarHBondContact O-N 3.07Å; I519-R522 PolarHBondContact O-N 3.11Å
523G72.2Confident76.7Confident23 Ų23118.5 Ų118.524%0.23755%0.554CS.*Hα-helixtrans-84.3-27.8177.200000114I519 D520 E521 G525 R526 H527I519-G523 PolarHBondContact O-N 3.24Å; D520-G523 CarbonylContact O-C 3.57Å; D520-G523 PolarHBondContact O-N 3.44Å; E521-G523 PolarHBondContact O-N 2.83Å; G523-G525 VanDerWaalsContact C-N 3.32Å; G523-G525 PolarHBondContact O-N 3.4Å; G523-R526 PolarHBondContact O-N 3.38Å; G523-R526 VanDerWaalsContact O-N 3.1Å; G523-H527 PolarHBondContact O-N 2.84Å
524A78.9Confident77.7Confident32 Ų32112.1 Ų112.126%0.26453%0.527SS..Hα-helixtrans-60.5-38.5-171.100000112.7D520 E521 H527 R528D520-A524 WeakPolarHBondContact O-CA 3.27Å; D520-A524 VanDerWaalsContact O-CB 3.29Å; D520-A524 WeakPolarHBondContact O-CB 3.46Å; D520-A524 PolarHBondContact O-N 3.19Å; E521-A524 PolarHBondContact O-N 3.07Å; A524-H527 PolarHBondContact O-N 3.44Å; A524-R528 WeakPolarHBondContact O-CB 3.5Å; A524-R528 WeakPolarHBondContact O-CG 3.38Å; A524-R528 PolarHBondContact O-N 3.36Å
525G79Confident78.5Confident38 Ų38114.3 Ų114.339%0.39252%0.524SS..Hα-helixtrans-62.4-46.2175.700000112.5G523 Q529G523-G525 VanDerWaalsContact C-N 3.32Å; G523-G525 PolarHBondContact O-N 3.4Å; G525-Q529 WeakPolarHBondContact O-CB 3.48Å; G525-Q529 VanDerWaalsContact O-CG 3.22Å; G525-Q529 WeakPolarHBondContact O-CG 3.46Å; G525-Q529 PolarHBondContact O-N 3.04Å
526R77.2Confident79.6Confident176 Ų176112 Ų11266%0.66452%0.516SS*.Hα-helixtrans-68.1-37.1176.7-73.9-171.4-68.7-177.30.3112.2G523 Q529 W530G523-R526 PolarHBondContact O-N 3.38Å; G523-R526 VanDerWaalsContact O-N 3.1Å; R526-Q529 PolarHBondContact O-N 3.22Å; R526-W530 VanDerWaalsContact O-CB 3.29Å; R526-W530 WeakPolarHBondContact O-CB 3.39Å; R526-W530 PolarHBondContact O-N 3.16Å
527H76.3Confident80.4Confident96 Ų96108.7 Ų108.744%0.44451%0.509SS..Hα-helixtrans-67-45.8178.1-16346.9000111.2G523 A524 Q529 W530 E531G523-H527 PolarHBondContact O-N 2.84Å; A524-H527 PolarHBondContact O-N 3.44Å; H527-Q529 PolarHBondContact O-N 3.38Å; H527-W530 AromaticContact CE1-CE3 3.92Å; H527-W530 AromaticContact CE1-CZ3 3.87Å; H527-W530 AromaticContact ND1-CE3 3.72Å; H527-W530 PolarHBondContact O-N 3.39Å; H527-E531 IonicContact CD2-OE1 2.73Å; H527-E531 PolarHBondContact CD2-OE1 2.93Å; H527-E531 IonicContact CE1-OE1 3.47Å; H527-E531 IonicContact NE2-OE1 3.46Å; H527-E531 PolarHBondContact NE2-OE1 3.24Å; H527-E531 WeakPolarHBondContact O-CB 2.95Å; H527-E531 VanDerWaalsContact O-CG 3.29Å; H527-E531 WeakPolarHBondContact O-CG 3.41Å; H527-E531 PolarHBondContact O-N 2.73Å
528R84.6Confident81.2Confident165 Ų165110.9 Ų110.962%0.62352%0.517SS*.Hα-helixtrans-60.3-42.5174.2-72.5173.2-173.9-177.22.6112.5A524 E531 Q532A524-R528 WeakPolarHBondContact O-CB 3.5Å; A524-R528 WeakPolarHBondContact O-CG 3.38Å; A524-R528 PolarHBondContact O-N 3.36Å; R528-E531 PolarHBondContact O-N 2.84Å; R528-Q532 WeakPolarHBondContact O-CB 3.42Å; R528-Q532 VanDerWaalsContact O-CG 3.24Å; R528-Q532 WeakPolarHBondContact O-CG 3.46Å; R528-Q532 PolarHBondContact O-N 3.45Å
529Q83.8Confident82.4Confident119 Ų119109.6 Ų109.656%0.55651%0.51SS*.Hα-helixtrans-64.2-42.6176-74.4170.1-4.500111.6G525 R526 H527 Q532 M533G525-Q529 WeakPolarHBondContact O-CB 3.48Å; G525-Q529 VanDerWaalsContact O-CG 3.22Å; G525-Q529 WeakPolarHBondContact O-CG 3.46Å; G525-Q529 PolarHBondContact O-N 3.04Å; R526-Q529 PolarHBondContact O-N 3.22Å; H527-Q529 PolarHBondContact O-N 3.38Å; Q529-Q532 PolarHBondContact O-N 2.88Å; Q529-M533 WeakPolarHBondContact O-CG 3.47Å; Q529-M533 PolarHBondContact O-N 2.95Å
530W83.6Confident83Confident148 Ų148108.9 Ų108.956%0.56150%0.504SS*.Hα-helixtrans-66-43.2176.4179.266.5000112.1R526 H527 Q532 M533 V534R526-W530 VanDerWaalsContact O-CB 3.29Å; R526-W530 WeakPolarHBondContact O-CB 3.39Å; R526-W530 PolarHBondContact O-N 3.16Å; H527-W530 AromaticContact CE1-CE3 3.92Å; H527-W530 AromaticContact CE1-CZ3 3.87Å; H527-W530 AromaticContact ND1-CE3 3.72Å; H527-W530 PolarHBondContact O-N 3.39Å; W530-Q532 VanDerWaalsContact C-N 3.32Å; W530-Q532 PolarHBondContact O-N 3.22Å; W530-M533 PolarHBondContact O-N 3.14Å; W530-V534 HydrophobicContact CD2-CG2 4.22Å; W530-V534 HydrophobicContact CG-CG2 4.45Å; W530-V534 HydrophobicContact CZ2-CG2 4.14Å; W530-V534 WeakPolarHBondContact O-CB 3.16Å; W530-V534 VanDerWaalsContact O-CG2 3.27Å; W530-V534 WeakPolarHBondContact O-CG2 3.24Å; W530-V534 PolarHBondContact O-N 3.46Å
531E91.9Very high83.4Confident95 Ų95110.8 Ų110.844%0.44451%0.51SS..Hα-helixtrans-60.2-40.9173.5-75.1175.4163.900112H527 R528 K535H527-E531 IonicContact CD2-OE1 2.73Å; H527-E531 PolarHBondContact CD2-OE1 2.93Å; H527-E531 IonicContact CE1-OE1 3.47Å; H527-E531 IonicContact NE2-OE1 3.46Å; H527-E531 PolarHBondContact NE2-OE1 3.24Å; H527-E531 WeakPolarHBondContact O-CB 2.95Å; H527-E531 VanDerWaalsContact O-CG 3.29Å; H527-E531 WeakPolarHBondContact O-CG 3.41Å; H527-E531 PolarHBondContact O-N 2.73Å; R528-E531 PolarHBondContact O-N 2.84Å; E531-K535 WeakPolarHBondContact O-CB 3.4Å; E531-K535 PolarHBondContact O-N 3.43Å
532Q89.6Confident84Confident130 Ų130113 Ų11361%0.60752%0.52SS*.Hα-helixtrans-62.9-47.7174.5-77.2174-1.500111.6R528 Q529 W530 K535 E536R528-Q532 WeakPolarHBondContact O-CB 3.42Å; R528-Q532 VanDerWaalsContact O-CG 3.24Å; R528-Q532 WeakPolarHBondContact O-CG 3.46Å; R528-Q532 PolarHBondContact O-N 3.45Å; Q529-Q532 PolarHBondContact O-N 2.88Å; W530-Q532 VanDerWaalsContact C-N 3.32Å; W530-Q532 PolarHBondContact O-N 3.22Å; Q532-K535 PolarHBondContact O-N 3.29Å; Q532-E536 WeakPolarHBondContact O-CB 3.33Å; Q532-E536 PolarHBondContact O-N 2.91Å
533M83.9Confident84.5Confident116 Ų116108.6 Ų108.657%0.57151%0.508SS*.Hα-helixtrans-61.7-44.4177.2-72.6-170.3-59.900112Q529 W530 K535 E536 E537Q529-M533 WeakPolarHBondContact O-CG 3.47Å; Q529-M533 PolarHBondContact O-N 2.95Å; W530-M533 PolarHBondContact O-N 3.14Å; M533-K535 VanDerWaalsContact C-N 3.33Å; M533-K535 PolarHBondContact O-N 3.19Å; M533-E536 PolarHBondContact O-N 2.98Å; M533-E537 WeakPolarHBondContact O-CB 3.36Å; M533-E537 PolarHBondContact O-N 2.9Å
534V90.9Very high85Confident39 Ų39111.7 Ų111.724%0.23653%0.531CS..Hα-helixtrans-64-39.5177.6170.30000111W530 E537 Q538W530-V534 HydrophobicContact CD2-CG2 4.22Å; W530-V534 HydrophobicContact CG-CG2 4.45Å; W530-V534 HydrophobicContact CZ2-CG2 4.14Å; W530-V534 WeakPolarHBondContact O-CB 3.16Å; W530-V534 VanDerWaalsContact O-CG2 3.27Å; W530-V534 WeakPolarHBondContact O-CG2 3.24Å; W530-V534 PolarHBondContact O-N 3.46Å; V534-E537 PolarHBondContact O-N 2.97Å; V534-Q538 WeakPolarHBondContact O-CB 3.36Å; V534-Q538 VanDerWaalsContact O-CG 3.26Å; V534-Q538 WeakPolarHBondContact O-CG 3.33Å; V534-Q538 PolarHBondContact O-N 3.28Å
535K94.4Very high85.2Confident158 Ų158114.5 Ų114.569%0.68755%0.549SS*.Hα-helixtrans-68.1-37.4177.1-171.8175.2-176.9177.30112.1E531 Q532 M533 K539E531-K535 WeakPolarHBondContact O-CB 3.4Å; E531-K535 PolarHBondContact O-N 3.43Å; Q532-K535 PolarHBondContact O-N 3.29Å; M533-K535 VanDerWaalsContact C-N 3.33Å; M533-K535 PolarHBondContact O-N 3.19Å; K535-K539 VanDerWaalsContact O-CB 3.31Å; K535-K539 WeakPolarHBondContact O-CB 3.5Å; K535-K539 PolarHBondContact O-N 2.58Å
536E90Very high85.5Confident117 Ų117115.8 Ų115.855%0.54755%0.549SS..Hα-helixtrans-68.4-42.9175-170.6176.4-179.400111.6Q532 M533 K539 Q540Q532-E536 WeakPolarHBondContact O-CB 3.33Å; Q532-E536 PolarHBondContact O-N 2.91Å; M533-E536 PolarHBondContact O-N 2.98Å; E536-K539 WeakPolarHBondContact O-CB 3.45Å; E536-K539 PolarHBondContact O-N 2.85Å; E536-Q540 WeakPolarHBondContact O-CG 3.27Å; E536-Q540 PolarHBondContact O-N 2.73Å
537E89Confident85.6Confident126 Ų126116 Ų11659%0.58956%0.556SS**Hα-helixtrans-62.4-44.1175-175.1176.7-15600111.5M533 V534 K539 Q540 Q541M533-E537 WeakPolarHBondContact O-CB 3.36Å; M533-E537 PolarHBondContact O-N 2.9Å; V534-E537 PolarHBondContact O-N 2.97Å; E537-K539 VanDerWaalsContact C-N 3.35Å; E537-K539 PolarHBondContact O-N 3.29Å; E537-Q540 PolarHBondContact O-N 2.86Å; E537-Q541 WeakPolarHBondContact O-CB 3.44Å; E537-Q541 PolarHBondContact O-N 2.78Å
538Q87Confident85.8Confident110 Ų110119.6 Ų119.651%0.51457%0.57SS.*Hα-helixtrans-60.9-43.3172.9-76.3176.32.400111.7V534 Q541 E542V534-Q538 WeakPolarHBondContact O-CB 3.36Å; V534-Q538 VanDerWaalsContact O-CG 3.26Å; V534-Q538 WeakPolarHBondContact O-CG 3.33Å; V534-Q538 PolarHBondContact O-N 3.28Å; Q538-Q541 CarbonylContact O-C 3.52Å; Q538-Q541 PolarHBondContact O-N 3.38Å; Q538-E542 WeakPolarHBondContact O-CB 3.28Å; Q538-E542 WeakPolarHBondContact O-CG 3.44Å; Q538-E542 PolarHBondContact O-N 3.25Å
539K92.1Very high85.7Confident117 Ų117115 Ų11551%0.50957%0.567SS.*Hα-helixtrans-62.7-43.5176.7-172-177.8-177.6-98.60111.7K535 E536 E537 Q541 E542 E543K535-K539 VanDerWaalsContact O-CB 3.31Å; K535-K539 WeakPolarHBondContact O-CB 3.5Å; K535-K539 PolarHBondContact O-N 2.58Å; E536-K539 WeakPolarHBondContact O-CB 3.45Å; E536-K539 PolarHBondContact O-N 2.85Å; E537-K539 VanDerWaalsContact C-N 3.35Å; E537-K539 PolarHBondContact O-N 3.29Å; K539-Q541 VanDerWaalsContact C-N 3.29Å; K539-Q541 PolarHBondContact O-N 3.06Å; K539-E542 PolarHBondContact O-N 3.24Å; K539-E543 VanDerWaalsContact CE-OE1 3.28Å; K539-E543 WeakPolarHBondContact CE-OE1 3.34Å; K539-E543 IonicContact NZ-OE1 2.73Å; K539-E543 PolarHBondContact NZ-OE1 2.95Å; K539-E543 WeakPolarHBondContact O-CB 3.36Å; K539-E543 VanDerWaalsContact O-CG 3.24Å; K539-E543 WeakPolarHBondContact O-CG 3.45Å; K539-E543 PolarHBondContact O-N 3.32Å
540Q81.5Confident85.5Confident108 Ų108120.4 Ų120.451%0.50558%0.582SS.*Hα-helixtrans-62.7-38.6174.9-72.7-177.517.900111.3E536 E537 E543 A544E536-Q540 WeakPolarHBondContact O-CG 3.27Å; E536-Q540 PolarHBondContact O-N 2.73Å; E537-Q540 PolarHBondContact O-N 2.86Å; Q540-E543 PolarHBondContact O-N 2.82Å; Q540-A544 WeakPolarHBondContact O-CB 3.43Å; Q540-A544 PolarHBondContact O-N 3.36Å
541Q80.3Confident85.5Confident140 Ų140118.3 Ų118.365%0.65459%0.588SS**Hα-helixtrans-69.7-38.2176.9-168.7149.516.500112.3E537 Q538 K539 A544 S545E537-Q541 WeakPolarHBondContact O-CB 3.44Å; E537-Q541 PolarHBondContact O-N 2.78Å; Q538-Q541 CarbonylContact O-C 3.52Å; Q538-Q541 PolarHBondContact O-N 3.38Å; K539-Q541 VanDerWaalsContact C-N 3.29Å; K539-Q541 PolarHBondContact O-N 3.06Å; Q541-A544 PolarHBondContact O-N 2.87Å; Q541-S545 WeakPolarHBondContact O-CB 3.42Å; Q541-S545 PolarHBondContact O-N 3.23Å; Q541-S545 PolarHBondContact O-OG 3.01Å
542E86.3Confident84.8Confident120 Ų120118.4 Ų118.456%0.56159%0.591SS**Hα-helixtrans-62.9-47.5171-75.6176.5-175.700111Q538 K539 A544 S545 T546Q538-E542 WeakPolarHBondContact O-CB 3.28Å; Q538-E542 WeakPolarHBondContact O-CG 3.44Å; Q538-E542 PolarHBondContact O-N 3.25Å; K539-E542 PolarHBondContact O-N 3.24Å; E542-A544 VanDerWaalsContact C-N 3.35Å; E542-A544 PolarHBondContact O-N 3.49Å; E542-S545 WeakPolarHBondContact CA-OG 3.45Å; E542-S545 PolarHBondContact O-N 3.25Å; E542-S545 PolarHBondContact O-OG 2.96Å; E542-T546 WeakPolarHBondContact O-CB 3.45Å; E542-T546 PolarHBondContact O-N 3.29Å; E542-T546 PolarHBondContact O-OG1 3.12Å
543E83.4Confident84.2Confident107 Ų107115.7 Ų115.750%0.558%0.583SS.*Hα-helixtrans-60.1-42.1176.4-74.9174.1-174.500111.9K539 Q540 T546K539-E543 VanDerWaalsContact CE-OE1 3.28Å; K539-E543 WeakPolarHBondContact CE-OE1 3.34Å; K539-E543 IonicContact NZ-OE1 2.73Å; K539-E543 PolarHBondContact NZ-OE1 2.95Å; K539-E543 WeakPolarHBondContact O-CB 3.36Å; K539-E543 VanDerWaalsContact O-CG 3.24Å; K539-E543 WeakPolarHBondContact O-CG 3.45Å; K539-E543 PolarHBondContact O-N 3.32Å; Q540-E543 PolarHBondContact O-N 2.82Å; E543-T546 PolarHBondContact O-N 3.42Å
544A82.3Confident83.7Confident88 Ų88115.8 Ų115.873%0.72759%0.59SS**Hα-helixtrans-72.9-32.8176.600000113.1Q540 Q541 E542 T546Q540-A544 WeakPolarHBondContact O-CB 3.43Å; Q540-A544 PolarHBondContact O-N 3.36Å; Q541-A544 PolarHBondContact O-N 2.87Å; E542-A544 VanDerWaalsContact C-N 3.35Å; E542-A544 PolarHBondContact O-N 3.49Å; A544-T546 VanDerWaalsContact C-N 3.31Å
545S81.6Confident83.1Confident91 Ų91118.3 Ų118.364%0.63661%0.606SS**Hα-helixtrans-75.2-23.617575.70000112.6Q541 E542 F547Q541-S545 WeakPolarHBondContact O-CB 3.42Å; Q541-S545 PolarHBondContact O-N 3.23Å; Q541-S545 PolarHBondContact O-OG 3.01Å; E542-S545 WeakPolarHBondContact CA-OG 3.45Å; E542-S545 PolarHBondContact O-N 3.25Å; E542-S545 PolarHBondContact O-OG 2.96Å; S545-F547 PolarHBondContact O-N 3.47Å
546T86.3Confident82.4Confident65 Ų65120.2 Ų120.240%0.39961%0.61SS.*SBendtrans-74.198.7178.2-57.70000108.9E542 E543 A544 K548E542-T546 WeakPolarHBondContact O-CB 3.45Å; E542-T546 PolarHBondContact O-N 3.29Å; E542-T546 PolarHBondContact O-OG1 3.12Å; E543-T546 PolarHBondContact O-N 3.42Å; A544-T546 VanDerWaalsContact C-N 3.31Å; T546-K548 HydrophobicContact CG2-CD 4.13Å; T546-K548 PolarHBondContact O-N 3.25Å
547F79.6Confident81.9Confident182 Ų182121.6 Ų121.680%0.79861%0.614SS**  trans-59.5102.9174-179.7-105.6000111S545 A549S545-F547 PolarHBondContact O-N 3.47Å; F547-A549 HydrophobicContact CD1-CB 4.42Å; F547-A549 HydrophobicContact CE1-CB 3.81Å; F547-A549 HydrophobicContact CZ-CB 4.39Å; F547-A549 PolarHBondContact O-N 3.39Å
548K80.8Confident81.4Confident171 Ų171123.2 Ų123.274%0.74362%0.622SS**  trans-90.495.6171.2-61-62.2-176.5-1780108.7T546 R550T546-K548 HydrophobicContact CG2-CD 4.13Å; T546-K548 PolarHBondContact O-N 3.25Å; K548-R550 PolarHBondContact O-N 3.04Å
549A81Confident81.1Confident67 Ų67123.3 Ų123.355%0.55463%0.632SS**PPolyproline II helixtrans-59.9133.8172.600000110.1F547F547-A549 HydrophobicContact CD1-CB 4.42Å; F547-A549 HydrophobicContact CE1-CB 3.81Å; F547-A549 HydrophobicContact CZ-CB 4.39Å; F547-A549 PolarHBondContact O-N 3.39Å
550R79.8Confident80.6Confident234 Ų234126.3 Ų126.388%0.88365%0.646SS**PPolyproline II helixtrans-57.8130.9170.5-68.9-177.4179.2176.71.1108K548 N552K548-R550 PolarHBondContact O-N 3.04Å; R550-N552 PolarHBondContact O-N 2.85Å
551P83.7Confident80.5Confident104 Ų104130.1 Ų130.168%0.67566%0.655SS**PPolyproline II helixtrans-58.1134.7-179.924.7-33.6000109.2T553P551-T553 VanDerWaalsContact C-N 3.3Å; P551-T553 PolarHBondContact O-N 2.67Å
552N77.7Confident80.3Confident97 Ų97128.6 Ų128.652%0.51966%0.657SS.*  trans-6591.5-178.6-174.91.4000109.5R550 V554 T555 Y556R550-N552 PolarHBondContact O-N 2.85Å; N552-V554 VanDerWaalsContact C-N 3.34Å; N552-V554 PolarHBondContact OD1-N 3.26Å; N552-T555 VanDerWaalsContact ND2-CG2 3.33Å; N552-T555 WeakPolarHBondContact ND2-CG2 3.15Å; N552-T555 PolarHBondContact O-OG1 3.49Å; N552-Y556 WeakPolarHBondContact O-CD2 3.48Å
553T76.6Confident79.7Confident72 Ų72131.5 Ų131.544%0.44267%0.668SS.*  trans-86.6-9.7179.138.80000112P551 K557P551-T553 VanDerWaalsContact C-N 3.3Å; P551-T553 PolarHBondContact O-N 2.67Å; T553-K557 WeakPolarHBondContact O-CB 3.49Å; T553-K557 WeakPolarHBondContact O-CD 3.41Å; T553-K557 WeakPolarHBondContact O-CG 3.27Å; T553-K557 PolarHBondContact O-N 3.04Å; T553-K557 VanDerWaalsContact O-N 3.16Å
554V74.6Confident78.9Confident119 Ų119135.5 Ų135.572%0.72168%0.684SS**THydrogen-bonded Turntrans-75.4-29.9-178.3-178.50000111.1N552N552-V554 VanDerWaalsContact C-N 3.34Å; N552-V554 PolarHBondContact OD1-N 3.26Å
555T77Confident78Confident91 Ų91137.3 Ų137.356%0.55868%0.677SS**THydrogen-bonded Turntrans-74.7-23.717844.90000114.5N552N552-T555 VanDerWaalsContact ND2-CG2 3.33Å; N552-T555 WeakPolarHBondContact ND2-CG2 3.15Å; N552-T555 PolarHBondContact O-OG1 3.49Å
556Y79.4Confident77.4Confident199 Ų199140.1 Ų140.178%0.7869%0.685SS**THydrogen-bonded Turntrans-107.7-9-178.1-55.1-75.2000113.4N552N552-Y556 WeakPolarHBondContact O-CD2 3.48Å
557K79.9Confident76.3Confident146 Ų146146.1 Ų146.164%0.63570%0.701SS**SBendtrans-78.7121.7171.6-81.4175.7178.6-175.10108.3T553T553-K557 WeakPolarHBondContact O-CB 3.49Å; T553-K557 WeakPolarHBondContact O-CD 3.41Å; T553-K557 WeakPolarHBondContact O-CG 3.27Å; T553-K557 PolarHBondContact O-N 3.04Å; T553-K557 VanDerWaalsContact O-N 3.16Å
558E80Confident75.6Confident159 Ų159143.2 Ų143.274%0.74370%0.698SS**PPolyproline II helixtrans-54.2137.3172.2-64.7-171.3165.300109.8F560E558-F560 PolarHBondContact O-N 2.92Å
559P80.6Confident74.8Confident113 Ų113143.6 Ų143.673%0.73471%0.707SS**PPolyproline II helixtrans-50.3136.9177.1-2733.9000110.7R561P559-R561 PolarHBondContact O-N 3.4Å
560F80.3Confident73.8Confident180 Ų180145.9 Ų145.979%0.78971%0.714SS**  trans-52.7111-179.7173.9-105.8000110E558 P562E558-F560 PolarHBondContact O-N 2.92Å; F560-P562 HydrophobicContact CD1-CG 4.13Å; F560-P562 HydrophobicContact CE1-CB 3.99Å; F560-P562 HydrophobicContact CE1-CG 3.71Å; F560-P562 HydrophobicContact CZ-CB 4.3Å; F560-P562 HydrophobicContact CZ-CG 4.48Å; F560-P562 WeakPolarHBondContact O-CD 3.29Å
561R79.1Confident73Confident188 Ų188140.9 Ų140.971%0.70971%0.709SS**  trans-95.3112.8168.9-72.9-178.3175.2156.1-1.9106.9P559 K563P559-R561 PolarHBondContact O-N 3.4Å; R561-K563 PolarHBondContact O-N 3.42Å
562P77.3Confident72.1Confident107 Ų107142.2 Ų142.270%0.69572%0.715SS**  trans-59.7101.5175.3-15.726.6000108.9F560 K564F560-P562 HydrophobicContact CD1-CG 4.13Å; F560-P562 HydrophobicContact CE1-CB 3.99Å; F560-P562 HydrophobicContact CE1-CG 3.71Å; F560-P562 HydrophobicContact CZ-CB 4.3Å; F560-P562 HydrophobicContact CZ-CG 4.48Å; F560-P562 WeakPolarHBondContact O-CD 3.29Å; P562-K564 PolarHBondContact O-N 3.46Å
563K72.3Confident71.7Confident181 Ų181145.4 Ų145.479%0.78773%0.727SS**  trans-83.3114.3172.9-70.2-177.4-179178.30106.9R561 E565R561-K563 PolarHBondContact O-N 3.42Å; K563-E565 PolarHBondContact O-N 3.12Å
564K66.6Low71.7Confident192 Ų192147.1 Ų147.184%0.83574%0.739SS**  trans-68.899.1172-171.1-179.5-179.1-176.60107.7P562 N566P562-K564 PolarHBondContact O-N 3.46Å; K564-N566 PolarHBondContact O-N 3.33Å
565E64.3Low71.7Confident125 Ų125149.6 Ų149.658%0.58474%0.74SS**  trans-67.2119.2174-65.4178.6-166.600108.7K563 R567K563-E565 PolarHBondContact O-N 3.12Å; E565-R567 HydrophobicContact CB-CG 4.2Å; E565-R567 PolarHBondContact O-N 3.46Å; E565-R567 IonicContact OE2-CZ 3.85Å; E565-R567 IonicContact OE2-NE 2.67Å; E565-R567 PolarHBondContact OE2-NE 3.47Å; E565-R567 IonicContact OE2-NH2 3.82Å; E565-R567 PolarHBondContact OE2-NH2 3.48Å
566N67.8Low72Confident151 Ų151150 Ų15081%0.80774%0.736SS**  trans-73.568.9168.9-67.1-32.7000108.6K564 T568K564-N566 PolarHBondContact O-N 3.33Å; N566-T568 PolarHBondContact O-N 2.92Å; N566-T568 VanDerWaalsContact O-N 3.11Å
567R64Low72.4Confident191 Ų191145.1 Ų145.172%0.72172%0.723SS**  trans-69.4106.6169.3-72-176.3-174.6-177.5-0.8107.2E565 L569E565-R567 HydrophobicContact CB-CG 4.2Å; E565-R567 PolarHBondContact O-N 3.46Å; E565-R567 IonicContact OE2-CZ 3.85Å; E565-R567 IonicContact OE2-NE 2.67Å; E565-R567 PolarHBondContact OE2-NE 3.47Å; E565-R567 IonicContact OE2-NH2 3.82Å; E565-R567 PolarHBondContact OE2-NH2 3.48Å; R567-L569 PolarHBondContact O-N 3.3Å
568T65.8Low72.8Confident120 Ų120142 Ų14274%0.73672%0.724SS**  trans-50.8134.6163.4460000108.1N566 V570N566-T568 PolarHBondContact O-N 2.92Å; N566-T568 VanDerWaalsContact O-N 3.11Å; T568-V570 VanDerWaalsContact O-CG2 3.27Å; T568-V570 WeakPolarHBondContact O-CG2 3.36Å; T568-V570 PolarHBondContact O-N 2.9Å
569L63.5Low73.3Confident179 Ų179139.1 Ų139.194%0.93772%0.718SS**  trans-45.3102.8-178.4-69.6163.8000110R567 V571R567-L569 PolarHBondContact O-N 3.3Å; L569-V571 PolarHBondContact O-N 3.42Å
570V59.5Low73.8Confident115 Ų115138.2 Ų138.270%0.69770%0.704SS**  trans-75.9119.7-176.2174.90000106.7T568 V572T568-V570 VanDerWaalsContact O-CG2 3.27Å; T568-V570 WeakPolarHBondContact O-CG2 3.36Å; T568-V570 PolarHBondContact O-N 2.9Å; V570-V572 PolarHBondContact O-N 2.85Å
571V62.6Low74.3Confident129 Ų129136.1 Ų136.178%0.78269%0.691SS**  trans-44.7121.8165171.60000107.5L569 E573L569-V571 PolarHBondContact O-N 3.42Å; V571-E573 VanDerWaalsContact C-N 3.35Å; V571-E573 PolarHBondContact O-N 3.3Å
572V64.8Low74.9Confident132 Ų132134.6 Ų134.680%0.869%0.685SS**  trans-6298.8-179.4179.30000107.6V570V570-V572 PolarHBondContact O-N 2.85Å
573E70.1Confident75.6Confident164 Ų164132.2 Ų132.277%0.76668%0.675SS**PPolyproline II helixtrans-63.2138.3165.7-113.1-153.2154.800108V571 F575V571-E573 VanDerWaalsContact C-N 3.35Å; V571-E573 PolarHBondContact O-N 3.3Å; E573-F575 PolarHBondContact O-N 2.89Å; E573-F575 VanDerWaalsContact O-N 3.14Å
574P76Confident76.6Confident109 Ų109127.7 Ų127.771%0.70866%0.656SS**PPolyproline II helixtrans-55.3123.3174.723.9-32.6000109Q576P574-Q576 PolarHBondContact O-N 3.24Å
575F75.3Confident77.9Confident170 Ų170124.5 Ų124.575%0.74664%0.644SS**PPolyproline II helixtrans-68.7119.1179.961.2-86.6000108.7E573 L577E573-F575 PolarHBondContact O-N 2.89Å; E573-F575 VanDerWaalsContact O-N 3.14Å; F575-L577 HydrophobicContact CE2-CD2 4.17Å; F575-L577 HydrophobicContact CE2-CG 4.22Å; F575-L577 PolarHBondContact O-N 2.87Å
576Q83.1Confident79.2Confident100 Ų100125.9 Ų125.947%0.46764%0.644SS.*PPolyproline II helixtrans-70.8123.1173.6-74.4171.1-8.400109.5P574 R581P574-Q576 PolarHBondContact O-N 3.24Å; Q576-R581 HydrophobicContact CB-CG 4.19Å
577L87.1Confident80.3Confident97 Ų97125.4 Ų125.451%0.50864%0.637SS.*PPolyproline II helixtrans-66.9143.5174.1-75152.5000109.6F575 T579 E580 R581F575-L577 HydrophobicContact CE2-CD2 4.17Å; F575-L577 HydrophobicContact CE2-CG 4.22Å; F575-L577 PolarHBondContact O-N 2.87Å; L577-T579 WeakPolarHBondContact CB-OG1 3.39Å; L577-T579 PolarHBondContact O-N 2.83Å; L577-T579 VanDerWaalsContact O-N 3.1Å; L577-E580 HydrophobicContact CB-CB 4.32Å; L577-E580 WeakPolarHBondContact O-CA 3.43Å; L577-E580 WeakPolarHBondContact O-CB 3.42Å; L577-E580 PolarHBondContact O-N 3.23Å; L577-R581 PolarHBondContact O-N 3.02Å
578A89Confident81.8Confident80 Ų80121.4 Ų121.466%0.66163%0.626SS**Hα-helixtrans-59-25.6176.500000112.7R582A578-R582 VanDerWaalsContact O-CB 3.29Å; A578-R582 WeakPolarHBondContact O-CB 3.35Å; A578-R582 PolarHBondContact O-N 3.03Å
579T90.7Very high83Confident99 Ų99122.4 Ų122.461%0.60762%0.618SS**Hα-helixtrans-69.3-37.9172.846.70000112.5L577 A583L577-T579 WeakPolarHBondContact CB-OG1 3.39Å; L577-T579 PolarHBondContact O-N 2.83Å; L577-T579 VanDerWaalsContact O-N 3.1Å; T579-A583 WeakPolarHBondContact O-CB 3.32Å; T579-A583 PolarHBondContact O-N 3.06Å
580E91.5Very high84.4Confident93 Ų93120 Ų12044%0.43560%0.601SS.*Hα-helixtrans-71.5-43.4178.1-172.2172.6-164.300110.9L577 R582 A583 Q584L577-E580 HydrophobicContact CB-CB 4.32Å; L577-E580 WeakPolarHBondContact O-CA 3.43Å; L577-E580 WeakPolarHBondContact O-CB 3.42Å; L577-E580 PolarHBondContact O-N 3.23Å; E580-R582 PolarHBondContact O-N 2.98Å; E580-A583 PolarHBondContact O-N 3.23Å; E580-Q584 WeakPolarHBondContact O-CG 3.37Å; E580-Q584 PolarHBondContact O-N 2.89Å
581R89.9Confident86Confident136 Ų136121 Ų12151%0.51359%0.593SS.*Hα-helixtrans-58-47.2171-74.1-168.9168176-2.9112.2Q576 L577 A583 Q584 E585Q576-R581 HydrophobicContact CB-CG 4.19Å; L577-R581 PolarHBondContact O-N 3.02Å; R581-A583 VanDerWaalsContact C-N 3.34Å; R581-A583 PolarHBondContact O-N 2.95Å; R581-Q584 PolarHBondContact O-N 3.47Å; R581-E585 VanDerWaalsContact O-CG 3.3Å; R581-E585 WeakPolarHBondContact O-CG 3.47Å; R581-E585 PolarHBondContact O-N 3.36Å
582R92.4Very high87.5Confident156 Ų156119.6 Ų119.659%0.58958%0.581SS**Hα-helixtrans-59.7-43.9176-176.5179.5-67.1166.2-0111.3A578 E580 Q584 E585 W586A578-R582 VanDerWaalsContact O-CB 3.29Å; A578-R582 WeakPolarHBondContact O-CB 3.35Å; A578-R582 PolarHBondContact O-N 3.03Å; E580-R582 PolarHBondContact O-N 2.98Å; R582-Q584 VanDerWaalsContact C-N 3.34Å; R582-Q584 PolarHBondContact O-N 3.13Å; R582-E585 PolarHBondContact O-N 3.38Å; R582-W586 WeakPolarHBondContact O-CB 3.3Å; R582-W586 PolarHBondContact O-N 2.99Å
583A91.6Very high88.7Confident58 Ų58116.4 Ų116.448%0.47956%0.558SS.*Hα-helixtrans-62.1-41.9179.700000112.2T579 E580 R581 W586 Q587T579-A583 WeakPolarHBondContact O-CB 3.32Å; T579-A583 PolarHBondContact O-N 3.06Å; E580-A583 PolarHBondContact O-N 3.23Å; R581-A583 VanDerWaalsContact C-N 3.34Å; R581-A583 PolarHBondContact O-N 2.95Å; A583-W586 PolarHBondContact O-N 2.86Å; A583-Q587 WeakPolarHBondContact O-CB 3.35Å; A583-Q587 PolarHBondContact O-N 3.32Å
584Q94Very high89.7Confident86 Ų86110 Ų11040%0.40254%0.536SS..Hα-helixtrans-65-46.2176.5-69.6173.6-1.100111.9E580 R581 R582 W586 Q587 E588E580-Q584 WeakPolarHBondContact O-CG 3.37Å; E580-Q584 PolarHBondContact O-N 2.89Å; R581-Q584 PolarHBondContact O-N 3.47Å; R582-Q584 VanDerWaalsContact C-N 3.34Å; R582-Q584 PolarHBondContact O-N 3.13Å; Q584-W586 VanDerWaalsContact C-N 3.3Å; Q584-W586 PolarHBondContact O-N 3.42Å; Q584-Q587 PolarHBondContact O-N 3.33Å; Q584-Q587 VanDerWaalsContact O-N 3.17Å; Q584-E588 WeakPolarHBondContact O-CG 3.38Å; Q584-E588 PolarHBondContact O-N 3.32Å
585E93Very high90.5Very high124 Ų124110 Ų11058%0.57953%0.526SS*.Hα-helixtrans-58.5-41.1175.8-72.4167.8-174.300112.1R581 R582 Y589R581-E585 VanDerWaalsContact O-CG 3.3Å; R581-E585 WeakPolarHBondContact O-CG 3.47Å; R581-E585 PolarHBondContact O-N 3.36Å; R582-E585 PolarHBondContact O-N 3.38Å; E585-Y589 VanDerWaalsContact O-CB 3.27Å; E585-Y589 WeakPolarHBondContact O-CB 3.44Å; E585-Y589 PolarHBondContact O-N 2.87Å
586W90.9Very high91.1Very high155 Ų155108.3 Ų108.359%0.58752%0.519SS*.Hα-helixtrans-64.9-43175.8-89.279.3000112R582 A583 Q584 Y589 E590R582-W586 WeakPolarHBondContact O-CB 3.3Å; R582-W586 PolarHBondContact O-N 2.99Å; A583-W586 PolarHBondContact O-N 2.86Å; Q584-W586 VanDerWaalsContact C-N 3.3Å; Q584-W586 PolarHBondContact O-N 3.42Å; W586-Y589 WeakPolarHBondContact O-CB 3.39Å; W586-Y589 PolarHBondContact O-N 2.88Å; W586-E590 WeakPolarHBondContact O-CG 3.48Å; W586-E590 PolarHBondContact O-N 3.1Å
587Q92.3Very high91.1Very high140 Ų140109.4 Ų109.465%0.65452%0.524SS*.Hα-helixtrans-64.4-41.4177.7-171178.46.700112A583 Q584 Y589 E590 R591A583-Q587 WeakPolarHBondContact O-CB 3.35Å; A583-Q587 PolarHBondContact O-N 3.32Å; Q584-Q587 PolarHBondContact O-N 3.33Å; Q584-Q587 VanDerWaalsContact O-N 3.17Å; Q587-Y589 VanDerWaalsContact C-N 3.34Å; Q587-E590 PolarHBondContact O-N 3.2Å; Q587-R591 WeakPolarHBondContact O-CB 3.39Å; Q587-R591 PolarHBondContact O-N 3.08Å
588E95.3Very high91.3Very high107 Ų107109.6 Ų109.650%0.553%0.529SS..Hα-helixtrans-65.6-38.7174.7-71-169.9154.300112Q584 R591 L592Q584-E588 WeakPolarHBondContact O-CG 3.38Å; Q584-E588 PolarHBondContact O-N 3.32Å; E588-R591 PolarHBondContact O-N 3.32Å; E588-L592 WeakPolarHBondContact O-CB 3.34Å; E588-L592 WeakPolarHBondContact O-CG 3.28Å; E588-L592 PolarHBondContact O-N 3.32Å
589Y90.6Very high91.3Very high142 Ų142111.7 Ų111.756%0.55753%0.528SS*.Hα-helixtrans-64.1-44.5176-177.4-103.8000112E585 W586 Q587 L592 I593E585-Y589 VanDerWaalsContact O-CB 3.27Å; E585-Y589 WeakPolarHBondContact O-CB 3.44Å; E585-Y589 PolarHBondContact O-N 2.87Å; W586-Y589 WeakPolarHBondContact O-CB 3.39Å; W586-Y589 PolarHBondContact O-N 2.88Å; Q587-Y589 VanDerWaalsContact C-N 3.34Å; Y589-L592 PolarHBondContact O-N 2.86Å; Y589-I593 HydrophobicContact CD1-CD1 3.79Å; Y589-I593 HydrophobicContact CE1-CD1 3.27Å; Y589-I593 HydrophobicContact CE1-CG1 4.38Å; Y589-I593 HydrophobicContact CE2-CD1 4.28Å; Y589-I593 HydrophobicContact CG-CD1 4.48Å; Y589-I593 WeakPolarHBondContact O-CG1 3.27Å; Y589-I593 PolarHBondContact O-N 3.24Å
590E92.4Very high91Very high127 Ų127114.4 Ų114.459%0.59353%0.527SS*.Hα-helixtrans-63.4-41.2174.8-74.6-176.5169.300112W586 Q587 I593 G594W586-E590 WeakPolarHBondContact O-CG 3.48Å; W586-E590 PolarHBondContact O-N 3.1Å; Q587-E590 PolarHBondContact O-N 3.2Å; E590-I593 PolarHBondContact O-N 2.91Å; E590-G594 PolarHBondContact O-N 2.9Å
591R94.1Very high90.9Very high136 Ų136112.6 Ų112.651%0.51353%0.528SS..Hα-helixtrans-60-47.4175-173.7-173.164.9-163.8-8.2111.5Q587 E588 I593 G594 E595Q587-R591 WeakPolarHBondContact O-CB 3.39Å; Q587-R591 PolarHBondContact O-N 3.08Å; E588-R591 PolarHBondContact O-N 3.32Å; R591-I593 VanDerWaalsContact C-N 3.33Å; R591-I593 PolarHBondContact O-N 3.41Å; R591-G594 PolarHBondContact O-N 2.97Å; R591-E595 HydrophobicContact CG-CG 4.46Å; R591-E595 WeakPolarHBondContact CG-OE1 3.33Å; R591-E595 IonicContact NE-OE1 2.92Å; R591-E595 WeakPolarHBondContact O-CG 3.49Å; R591-E595 PolarHBondContact O-N 2.92Å
592L93.4Very high91.1Very high101 Ų101114.3 Ų114.353%0.52954%0.535SS..Hα-helixtrans-63.6-37.5179.4-75.3172.3000112.6E588 Y589 K596E588-L592 WeakPolarHBondContact O-CB 3.34Å; E588-L592 WeakPolarHBondContact O-CG 3.28Å; E588-L592 PolarHBondContact O-N 3.32Å; Y589-L592 PolarHBondContact O-N 2.86Å; L592-K596 WeakPolarHBondContact O-CB 3.48Å; L592-K596 PolarHBondContact O-N 3.27Å; L592-K596 VanDerWaalsContact O-N 3.16Å
593I90.2Very high90.6Very high65 Ų65111.5 Ų111.533%0.33353%0.53SS..Hα-helixtrans-63.9-49.5172.8-71.7173.5000110Y589 E590 R591 E595 K596 E597Y589-I593 HydrophobicContact CD1-CD1 3.79Å; Y589-I593 HydrophobicContact CE1-CD1 3.27Å; Y589-I593 HydrophobicContact CE1-CG1 4.38Å; Y589-I593 HydrophobicContact CE2-CD1 4.28Å; Y589-I593 HydrophobicContact CG-CD1 4.48Å; Y589-I593 WeakPolarHBondContact O-CG1 3.27Å; Y589-I593 PolarHBondContact O-N 3.24Å; E590-I593 PolarHBondContact O-N 2.91Å; R591-I593 VanDerWaalsContact C-N 3.33Å; R591-I593 PolarHBondContact O-N 3.41Å; I593-E595 PolarHBondContact O-N 2.84Å; I593-K596 PolarHBondContact O-N 3.47Å; I593-E597 HydrophobicContact CG2-CG 4.41Å; I593-E597 WeakPolarHBondContact O-CG 3.36Å; I593-E597 PolarHBondContact O-N 3.46Å
594G91.8Very high90.2Very high28 Ų28113 Ų11329%0.28953%0.526SS..Hα-helixtrans-58.3-47179.800000112.6E590 R591 K596 E597 V598E590-G594 PolarHBondContact O-N 2.9Å; R591-G594 PolarHBondContact O-N 2.97Å; G594-K596 VanDerWaalsContact C-N 3.33Å; G594-K596 PolarHBondContact O-N 3.22Å; G594-E597 PolarHBondContact O-N 3.35Å; G594-V598 WeakPolarHBondContact O-CB 3.47Å; G594-V598 VanDerWaalsContact O-CG2 3.27Å; G594-V598 WeakPolarHBondContact O-CG2 3.41Å; G594-V598 PolarHBondContact O-N 3.44Å
595E91.8Very high90.1Very high109 Ų109111.2 Ų111.251%0.50953%0.527SS..Hα-helixtrans-60.5-41.5177.2-73.9173.1-174.600112.2R591 I593 V598 L599R591-E595 HydrophobicContact CG-CG 4.46Å; R591-E595 WeakPolarHBondContact CG-OE1 3.33Å; R591-E595 IonicContact NE-OE1 2.92Å; R591-E595 WeakPolarHBondContact O-CG 3.49Å; R591-E595 PolarHBondContact O-N 2.92Å; I593-E595 PolarHBondContact O-N 2.84Å; E595-V598 PolarHBondContact O-N 3.39Å; E595-L599 WeakPolarHBondContact O-CB 3.48Å; E595-L599 PolarHBondContact O-N 2.9Å
596K86.8Confident89.8Confident135 Ų135109.5 Ų109.559%0.58752%0.519SS*.Hα-helixtrans-67.2-37.4177.5-172.1174.3-175.91710112.3L592 I593 G594 R600L592-K596 WeakPolarHBondContact O-CB 3.48Å; L592-K596 PolarHBondContact O-N 3.27Å; L592-K596 VanDerWaalsContact O-N 3.16Å; I593-K596 PolarHBondContact O-N 3.47Å; G594-K596 VanDerWaalsContact C-N 3.33Å; G594-K596 PolarHBondContact O-N 3.22Å; K596-R600 WeakPolarHBondContact O-CB 3.48Å; K596-R600 PolarHBondContact O-N 2.97Å
597E84.8Confident89.4Confident123 Ų123107.2 Ų107.258%0.57551%0.514SS*.Hα-helixtrans-68.9-42175-74-176.6170.600111.7I593 G594 R600 A601I593-E597 HydrophobicContact CG2-CG 4.41Å; I593-E597 WeakPolarHBondContact O-CG 3.36Å; I593-E597 PolarHBondContact O-N 3.46Å; G594-E597 PolarHBondContact O-N 3.35Å; E597-R600 PolarHBondContact O-N 2.91Å; E597-A601 WeakPolarHBondContact O-CB 3.31Å; E597-A601 PolarHBondContact O-N 2.98Å
598V91.6Very high89.1Confident102 Ų102107.9 Ų107.962%0.61851%0.511SS*.Hα-helixtrans-61.7-44.6174.8169.50000111.1G594 E595 R600 A601 R602G594-V598 WeakPolarHBondContact O-CB 3.47Å; G594-V598 VanDerWaalsContact O-CG2 3.27Å; G594-V598 WeakPolarHBondContact O-CG2 3.41Å; G594-V598 PolarHBondContact O-N 3.44Å; E595-V598 PolarHBondContact O-N 3.39Å; V598-R600 VanDerWaalsContact C-N 3.33Å; V598-R600 PolarHBondContact O-N 3.07Å; V598-A601 PolarHBondContact O-N 2.81Å; V598-R602 PolarHBondContact O-N 3.33Å
599L87.9Confident89Confident123 Ų123107.4 Ų107.464%0.64451%0.511SS*.Hα-helixtrans-64.3-39.6178.2-168.3132000111.6E595 R602 M603E595-L599 WeakPolarHBondContact O-CB 3.48Å; E595-L599 PolarHBondContact O-N 2.9Å; L599-R602 PolarHBondContact O-N 3.36Å; L599-M603 WeakPolarHBondContact O-CG 3.45Å; L599-M603 PolarHBondContact O-N 3.48Å; L599-M603 VanDerWaalsContact O-N 3.12Å
600R83.6Confident88.8Confident156 Ų156105.1 Ų105.159%0.58951%0.506SS*.Hα-helixtrans-63.9-44.3172.9-174.7-175.6-64.8177-0111.8K596 E597 V598 R602 M603 E604K596-R600 WeakPolarHBondContact O-CB 3.48Å; K596-R600 PolarHBondContact O-N 2.97Å; E597-R600 PolarHBondContact O-N 2.91Å; V598-R600 VanDerWaalsContact C-N 3.33Å; V598-R600 PolarHBondContact O-N 3.07Å; R600-R602 VanDerWaalsContact C-N 3.32Å; R600-R602 PolarHBondContact O-N 3.27Å; R600-M603 PolarHBondContact O-N 2.88Å; R600-E604 WeakPolarHBondContact O-CB 3.32Å; R600-E604 PolarHBondContact O-N 3.49Å
601A90.6Very high88.6Confident55 Ų55104.5 Ų104.546%0.45550%0.503SS..Hα-helixtrans-63.9-37.8179.200000111.9E597 V598 E604 A605E597-A601 WeakPolarHBondContact O-CB 3.31Å; E597-A601 PolarHBondContact O-N 2.98Å; V598-A601 PolarHBondContact O-N 2.81Å; A601-E604 PolarHBondContact O-N 2.83Å; A601-A605 VanDerWaalsContact O-CB 3.28Å; A601-A605 WeakPolarHBondContact O-CB 3.44Å; A601-A605 PolarHBondContact O-N 2.64Å
602R93Very high88.4Confident173 Ų173101.8 Ų101.865%0.65350%0.496SS*.Hα-helixtrans-63.6-47.2174.4-175.9179.8173.4170.53.3111.8V598 L599 R600 E604 A605 E606V598-R602 PolarHBondContact O-N 3.33Å; L599-R602 PolarHBondContact O-N 3.36Å; R600-R602 VanDerWaalsContact C-N 3.32Å; R600-R602 PolarHBondContact O-N 3.27Å; R602-E604 VanDerWaalsContact C-N 3.33Å; R602-E604 PolarHBondContact O-N 3.43Å; R602-A605 PolarHBondContact O-N 2.84Å; R602-E606 IonicContact CZ-OE1 3.07Å; R602-E606 IonicContact NE-OE1 3.89Å; R602-E606 PolarHBondContact NE-OE1 3.25Å; R602-E606 VanDerWaalsContact NE-OE1 3.07Å; R602-E606 IonicContact NH2-OE1 3.86Å; R602-E606 WeakPolarHBondContact O-CG 3.39Å; R602-E606 PolarHBondContact O-N 2.86Å
603M82.9Confident88.2Confident97 Ų97102.4 Ų102.448%0.47850%0.496SS..Hα-helixtrans-61.8-40.8176.5-69.9-63.1-57.100111.9L599 R600 Q607L599-M603 WeakPolarHBondContact O-CG 3.45Å; L599-M603 PolarHBondContact O-N 3.48Å; L599-M603 VanDerWaalsContact O-N 3.12Å; R600-M603 PolarHBondContact O-N 2.88Å; M603-Q607 VanDerWaalsContact O-CG 3.3Å; M603-Q607 WeakPolarHBondContact O-CG 3.46Å; M603-Q607 PolarHBondContact O-N 3.48Å
604E83.9Confident88.3Confident88 Ų88105.9 Ų105.941%0.41151%0.505SS..Hα-helixtrans-67.1-39.1176.2-171.3-179.7166.600111.8R600 A601 R602 Q607 R608R600-E604 WeakPolarHBondContact O-CB 3.32Å; R600-E604 PolarHBondContact O-N 3.49Å; A601-E604 PolarHBondContact O-N 2.83Å; R602-E604 VanDerWaalsContact C-N 3.33Å; R602-E604 PolarHBondContact O-N 3.43Å; E604-Q607 PolarHBondContact O-N 3.11Å; E604-R608 WeakPolarHBondContact O-CG 3.3Å; E604-R608 PolarHBondContact O-N 3.4Å; E604-R608 IonicContact OE1-CZ 3.69Å; E604-R608 IonicContact OE1-NE 3.57Å; E604-R608 PolarHBondContact OE1-NE 2.84Å; E604-R608 IonicContact OE1-NH2 3.7Å; E604-R608 PolarHBondContact OE1-NH2 2.92Å
605A90.4Very high88.3Confident49 Ų49110.2 Ų110.241%0.40552%0.518SS..Hα-helixtrans-66.1-42.3176.400000112.1A601 R602 Q607 R608 L609A601-A605 VanDerWaalsContact O-CB 3.28Å; A601-A605 WeakPolarHBondContact O-CB 3.44Å; A601-A605 PolarHBondContact O-N 2.64Å; R602-A605 PolarHBondContact O-N 2.84Å; A605-Q607 VanDerWaalsContact C-N 3.35Å; A605-R608 PolarHBondContact O-N 3.41Å; A605-L609 WeakPolarHBondContact O-CG 3.45Å; A605-L609 PolarHBondContact O-N 3.22Å
606E87.2Confident88.4Confident89 Ų89112.4 Ų112.442%0.41652%0.521SS..Hα-helixtrans-61.7-42.9174.5-74.8174.9-168.300111.1R602 L609 E610R602-E606 IonicContact CZ-OE1 3.07Å; R602-E606 IonicContact NE-OE1 3.89Å; R602-E606 PolarHBondContact NE-OE1 3.25Å; R602-E606 VanDerWaalsContact NE-OE1 3.07Å; R602-E606 IonicContact NH2-OE1 3.86Å; R602-E606 WeakPolarHBondContact O-CG 3.39Å; R602-E606 PolarHBondContact O-N 2.86Å; E606-L609 PolarHBondContact O-N 3.17Å; E606-E610 WeakPolarHBondContact O-CB 3.44Å; E606-E610 PolarHBondContact O-N 2.97Å
607Q82.9Confident88.7Confident106 Ų106112.2 Ų112.250%0.49552%0.523SS..Hα-helixtrans-62.6-43.3174.2-74.1174.91200112.4M603 E604 A605 L609 E610 E611M603-Q607 VanDerWaalsContact O-CG 3.3Å; M603-Q607 WeakPolarHBondContact O-CG 3.46Å; M603-Q607 PolarHBondContact O-N 3.48Å; E604-Q607 PolarHBondContact O-N 3.11Å; A605-Q607 VanDerWaalsContact C-N 3.35Å; Q607-L609 PolarHBondContact O-N 3.23Å; Q607-E610 PolarHBondContact O-N 3.47Å; Q607-E611 WeakPolarHBondContact O-CB 3.2Å; Q607-E611 WeakPolarHBondContact O-CG 3.33Å; Q607-E611 PolarHBondContact O-N 2.93Å
608R86.7Confident89.1Confident154 Ų154113 Ų11358%0.58153%0.527SS*.Hα-helixtrans-64.2-39.4177-75.7-173.7-171.2-167.36.3112.5E604 A605 E610 E611 E612E604-R608 WeakPolarHBondContact O-CG 3.3Å; E604-R608 PolarHBondContact O-N 3.4Å; E604-R608 IonicContact OE1-CZ 3.69Å; E604-R608 IonicContact OE1-NE 3.57Å; E604-R608 PolarHBondContact OE1-NE 2.84Å; E604-R608 IonicContact OE1-NH2 3.7Å; E604-R608 PolarHBondContact OE1-NH2 2.92Å; A605-R608 PolarHBondContact O-N 3.41Å; R608-E610 VanDerWaalsContact C-N 3.33Å; R608-E611 PolarHBondContact O-N 3.01Å; R608-E612 VanDerWaalsContact O-CB 3.3Å; R608-E612 WeakPolarHBondContact O-CB 3.14Å; R608-E612 PolarHBondContact O-N 3.12Å
609L91.8Very high89Confident97 Ų97112.1 Ų112.151%0.50852%0.517SS..Hα-helixtrans-64.7-40.3175.1-74.3173.5000111.2A605 E606 Q607 E612 Q613A605-L609 WeakPolarHBondContact O-CG 3.45Å; A605-L609 PolarHBondContact O-N 3.22Å; E606-L609 PolarHBondContact O-N 3.17Å; Q607-L609 PolarHBondContact O-N 3.23Å; L609-E612 PolarHBondContact O-N 3.48Å; L609-Q613 WeakPolarHBondContact O-CB 3.5Å; L609-Q613 VanDerWaalsContact O-CG 3.27Å; L609-Q613 WeakPolarHBondContact O-CG 3.27Å; L609-Q613 PolarHBondContact O-N 3.44Å
610E87.8Confident89.4Confident94 Ų94108.2 Ų108.244%0.43950%0.503SS..Hα-helixtrans-66.3-43.1176.2-169.3179.5-174.900111.8E606 Q607 R608 Q613 R614E606-E610 WeakPolarHBondContact O-CB 3.44Å; E606-E610 PolarHBondContact O-N 2.97Å; Q607-E610 PolarHBondContact O-N 3.47Å; R608-E610 VanDerWaalsContact C-N 3.33Å; E610-Q613 PolarHBondContact O-N 3.29Å; E610-R614 VanDerWaalsContact O-CG 3.3Å; E610-R614 WeakPolarHBondContact O-CG 3.15Å; E610-R614 PolarHBondContact O-N 2.89Å; E610-R614 IonicContact OE1-CZ 2.84Å; E610-R614 IonicContact OE1-NE 2.83Å; E610-R614 IonicContact OE1-NH2 3.22Å; E610-R614 PolarHBondContact OE1-NH2 3.34Å
611E86.6Confident89.9Confident115 Ų115108.6 Ų108.654%0.53750%0.504SS..Hα-helixtrans-61.4-45.3173.5-73.8177.8171.900111.2Q607 R608 Q613 R614 E615Q607-E611 WeakPolarHBondContact O-CB 3.2Å; Q607-E611 WeakPolarHBondContact O-CG 3.33Å; Q607-E611 PolarHBondContact O-N 2.93Å; R608-E611 PolarHBondContact O-N 3.01Å; E611-Q613 VanDerWaalsContact C-N 3.34Å; E611-Q613 PolarHBondContact O-N 2.83Å; E611-R614 PolarHBondContact O-N 3.38Å; E611-E615 WeakPolarHBondContact O-CG 3.3Å; E611-E615 PolarHBondContact O-N 2.9Å
612E91Very high90Very high79 Ų79110.3 Ų110.337%0.36951%0.506SS..Hα-helixtrans-63.8-38.5177.4-169.8-176.6-178.800111.8R608 L609 E615 R616R608-E612 VanDerWaalsContact O-CB 3.3Å; R608-E612 WeakPolarHBondContact O-CB 3.14Å; R608-E612 PolarHBondContact O-N 3.12Å; L609-E612 PolarHBondContact O-N 3.48Å; E612-E615 PolarHBondContact O-N 3.48Å; E612-R616 HydrophobicContact CG-CG 4.46Å; E612-R616 VanDerWaalsContact O-CB 3.3Å; E612-R616 WeakPolarHBondContact O-CB 3.31Å; E612-R616 WeakPolarHBondContact O-CD 3.5Å; E612-R616 WeakPolarHBondContact O-CG 3.41Å; E612-R616 PolarHBondContact O-N 2.87Å; E612-R616 IonicContact OE1-CZ 2.64Å; E612-R616 VanDerWaalsContact OE1-CZ 3.23Å; E612-R616 IonicContact OE1-NE 2.73Å; E612-R616 PolarHBondContact OE1-NE 3.06Å; E612-R616 IonicContact OE1-NH2 3.18Å; E612-R616 PolarHBondContact OE1-NH2 3.33Å; E612-R616 IonicContact OE2-NH2 3.23Å
613Q89.9Confident89.8Confident113 Ų113110.1 Ų110.153%0.52851%0.505SS..Hα-helixtrans-62.4-46.2173.7-76.6177.312.700111.3L609 E610 E611 R616 E617L609-Q613 WeakPolarHBondContact O-CB 3.5Å; L609-Q613 VanDerWaalsContact O-CG 3.27Å; L609-Q613 WeakPolarHBondContact O-CG 3.27Å; L609-Q613 PolarHBondContact O-N 3.44Å; E610-Q613 PolarHBondContact O-N 3.29Å; E611-Q613 VanDerWaalsContact C-N 3.34Å; E611-Q613 PolarHBondContact O-N 2.83Å; Q613-R616 PolarHBondContact O-N 3.26Å; Q613-E617 WeakPolarHBondContact O-CB 3.36Å; Q613-E617 WeakPolarHBondContact O-CG 3.38Å; Q613-E617 PolarHBondContact O-N 3.26Å
614R92.5Very high90.1Very high138 Ų138112.2 Ų112.252%0.52151%0.513SS..Hα-helixtrans-62.2-44.5176.7-70.4173.1-175.2-172.44.4111.9E610 E611 R616 E617 E618E610-R614 VanDerWaalsContact O-CG 3.3Å; E610-R614 WeakPolarHBondContact O-CG 3.15Å; E610-R614 PolarHBondContact O-N 2.89Å; E610-R614 IonicContact OE1-CZ 2.84Å; E610-R614 IonicContact OE1-NE 2.83Å; E610-R614 IonicContact OE1-NH2 3.22Å; E610-R614 PolarHBondContact OE1-NH2 3.34Å; E611-R614 PolarHBondContact O-N 3.38Å; R614-R616 VanDerWaalsContact C-N 3.34Å; R614-R616 PolarHBondContact O-N 3.5Å; R614-E617 PolarHBondContact O-N 2.95Å; R614-E618 WeakPolarHBondContact O-CB 3.49Å; R614-E618 WeakPolarHBondContact O-CG 3.27Å; R614-E618 PolarHBondContact O-N 3.39Å
615E90.7Very high90.4Very high119 Ų119113.7 Ų113.756%0.55652%0.52SS*.Hα-helixtrans-61.8-42.8175.7-74.2-175.2173.700111.4E611 E612 E617 E618 I619E611-E615 WeakPolarHBondContact O-CG 3.3Å; E611-E615 PolarHBondContact O-N 2.9Å; E612-E615 PolarHBondContact O-N 3.48Å; E615-E617 VanDerWaalsContact C-N 3.34Å; E615-E617 PolarHBondContact O-N 3.42Å; E615-E618 PolarHBondContact O-N 2.89Å; E615-I619 VanDerWaalsContact O-CB 3.31Å; E615-I619 WeakPolarHBondContact O-CB 3.48Å; E615-I619 WeakPolarHBondContact O-CD1 3.3Å; E615-I619 WeakPolarHBondContact O-CG1 3.33Å; E615-I619 PolarHBondContact O-N 3.18Å
616R93.1Very high90.2Very high155 Ų155117.5 Ų117.559%0.58553%0.53SS*.Hα-helixtrans-61.8-42.5176.1-76170.3179.7-164.43.3111.5E612 Q613 R614 A620E612-R616 HydrophobicContact CG-CG 4.46Å; E612-R616 VanDerWaalsContact O-CB 3.3Å; E612-R616 WeakPolarHBondContact O-CB 3.31Å; E612-R616 WeakPolarHBondContact O-CD 3.5Å; E612-R616 WeakPolarHBondContact O-CG 3.41Å; E612-R616 PolarHBondContact O-N 2.87Å; E612-R616 IonicContact OE1-CZ 2.64Å; E612-R616 VanDerWaalsContact OE1-CZ 3.23Å; E612-R616 IonicContact OE1-NE 2.73Å; E612-R616 PolarHBondContact OE1-NE 3.06Å; E612-R616 IonicContact OE1-NH2 3.18Å; E612-R616 PolarHBondContact OE1-NH2 3.33Å; E612-R616 IonicContact OE2-NH2 3.23Å; Q613-R616 PolarHBondContact O-N 3.26Å; R614-R616 VanDerWaalsContact C-N 3.34Å; R614-R616 PolarHBondContact O-N 3.5Å; R616-A620 VanDerWaalsContact O-CB 3.26Å; R616-A620 WeakPolarHBondContact O-CB 3.49Å; R616-A620 PolarHBondContact O-N 3.22Å
617E93.3Very high90.3Very high131 Ų131117.9 Ų117.961%0.61254%0.538SS*.Hα-helixtrans-65.8-44.6176.5-74176.5-176.400112.1Q613 R614 E615 A620 R621Q613-E617 WeakPolarHBondContact O-CB 3.36Å; Q613-E617 WeakPolarHBondContact O-CG 3.38Å; Q613-E617 PolarHBondContact O-N 3.26Å; R614-E617 PolarHBondContact O-N 2.95Å; E615-E617 VanDerWaalsContact C-N 3.34Å; E615-E617 PolarHBondContact O-N 3.42Å; E617-A620 PolarHBondContact O-N 2.91Å; E617-R621 WeakPolarHBondContact O-CB 3.17Å; E617-R621 PolarHBondContact O-N 3.37Å
618E93.8Very high90.1Very high141 Ų141121.3 Ų121.366%0.65955%0.554SS**Hα-helixtrans-62.8-43.7175.9-76-173.9-18000111.7R614 E615 A620 R621 L622R614-E618 WeakPolarHBondContact O-CB 3.49Å; R614-E618 WeakPolarHBondContact O-CG 3.27Å; R614-E618 PolarHBondContact O-N 3.39Å; E615-E618 PolarHBondContact O-N 2.89Å; E618-A620 VanDerWaalsContact C-N 3.34Å; E618-R621 PolarHBondContact O-N 3.43Å; E618-L622 WeakPolarHBondContact O-CB 3.41Å; E618-L622 PolarHBondContact O-N 2.88Å
619I90.7Very high90Very high82 Ų82123.2 Ų123.242%0.42157%0.566SS.*Hα-helixtrans-63.8-42175.3-69.4165.1000110.2E615 L622 R623E615-I619 VanDerWaalsContact O-CB 3.31Å; E615-I619 WeakPolarHBondContact O-CB 3.48Å; E615-I619 WeakPolarHBondContact O-CD1 3.3Å; E615-I619 WeakPolarHBondContact O-CG1 3.33Å; E615-I619 PolarHBondContact O-N 3.18Å; I619-L622 PolarHBondContact O-N 3.46Å; I619-R623 HydrophobicContact CG2-CG 4.46Å; I619-R623 WeakPolarHBondContact O-CB 3.3Å; I619-R623 VanDerWaalsContact O-CG 3.22Å; I619-R623 WeakPolarHBondContact O-CG 3.38Å; I619-R623 PolarHBondContact O-N 2.88Å
620A94.5Very high89.7Confident42 Ų42123 Ų12335%0.34758%0.579SS.*Hα-helixtrans-62.6-43.4176.700000111.3R616 E617 E618 R623 Q624R616-A620 VanDerWaalsContact O-CB 3.26Å; R616-A620 WeakPolarHBondContact O-CB 3.49Å; R616-A620 PolarHBondContact O-N 3.22Å; E617-A620 PolarHBondContact O-N 2.91Å; E618-A620 VanDerWaalsContact C-N 3.34Å; A620-R623 PolarHBondContact O-N 3.02Å; A620-Q624 VanDerWaalsContact O-CG 3.3Å; A620-Q624 WeakPolarHBondContact O-CG 3.5Å; A620-Q624 PolarHBondContact O-N 3.13Å
621R95.4Very high89.4Confident163 Ų163125.6 Ų125.662%0.61559%0.591SS**Hα-helixtrans-63.6-46.8175.3-176.8-177.4172169.63.3111.9E617 E618 R623 Q624 E625E617-R621 WeakPolarHBondContact O-CB 3.17Å; E617-R621 PolarHBondContact O-N 3.37Å; E618-R621 PolarHBondContact O-N 3.43Å; R621-R623 VanDerWaalsContact C-N 3.27Å; R621-R623 PolarHBondContact O-N 3.14Å; R621-Q624 WeakPolarHBondContact O-CA 3.26Å; R621-Q624 WeakPolarHBondContact O-CB 3.29Å; R621-Q624 PolarHBondContact O-N 3.45Å; R621-E625 IonicContact CZ-OE1 2.79Å; R621-E625 IonicContact NE-OE1 3.75Å; R621-E625 PolarHBondContact NE-OE1 3.29Å; R621-E625 IonicContact NH2-OE1 3.18Å; R621-E625 WeakPolarHBondContact O-CG 3.27Å; R621-E625 PolarHBondContact O-N 3.05Å
622L91.7Very high89.5Confident92 Ų92125.6 Ų125.648%0.48260%0.601SS.*Hα-helixtrans-61.5-39.3178-158.483.5000110.9E618 I619 E625 Q626E618-L622 WeakPolarHBondContact O-CB 3.41Å; E618-L622 PolarHBondContact O-N 2.88Å; I619-L622 PolarHBondContact O-N 3.46Å; L622-E625 PolarHBondContact O-N 3.46Å; L622-Q626 VanDerWaalsContact O-CB 3.29Å; L622-Q626 WeakPolarHBondContact O-CB 3.37Å; L622-Q626 WeakPolarHBondContact O-CG 3.4Å; L622-Q626 PolarHBondContact O-N 2.89Å
623R89.7Confident89.1Confident169 Ų169128.7 Ų128.764%0.63862%0.618SS**Hα-helixtrans-63.1-44.1172.3-74.9174.1-176.8178.54.3111.3I619 A620 R621 E625 Q626 V627I619-R623 HydrophobicContact CG2-CG 4.46Å; I619-R623 WeakPolarHBondContact O-CB 3.3Å; I619-R623 VanDerWaalsContact O-CG 3.22Å; I619-R623 WeakPolarHBondContact O-CG 3.38Å; I619-R623 PolarHBondContact O-N 2.88Å; A620-R623 PolarHBondContact O-N 3.02Å; R621-R623 VanDerWaalsContact C-N 3.27Å; R621-R623 PolarHBondContact O-N 3.14Å; R623-E625 VanDerWaalsContact C-N 3.34Å; R623-E625 PolarHBondContact O-N 2.97Å; R623-Q626 PolarHBondContact O-N 3.13Å; R623-V627 WeakPolarHBondContact O-CG2 3.22Å; R623-V627 PolarHBondContact O-N 3.39Å
624Q89.3Confident88.8Confident140 Ų140130.9 Ų130.965%0.65462%0.622SS**Hα-helixtrans-61.9-40.6176.5-72.6174.317.500112.4A620 R621 V627A620-Q624 VanDerWaalsContact O-CG 3.3Å; A620-Q624 WeakPolarHBondContact O-CG 3.5Å; A620-Q624 PolarHBondContact O-N 3.13Å; R621-Q624 WeakPolarHBondContact O-CA 3.26Å; R621-Q624 WeakPolarHBondContact O-CB 3.29Å; R621-Q624 PolarHBondContact O-N 3.45Å; Q624-V627 PolarHBondContact O-N 3.27Å
625E88.6Confident88.3Confident119 Ų119132.8 Ų132.856%0.55664%0.636SS**Hα-helixtrans-69.7-36.6177.3-71.9175.3-171.100112R621 L622 R623R621-E625 IonicContact CZ-OE1 2.79Å; R621-E625 IonicContact NE-OE1 3.75Å; R621-E625 PolarHBondContact NE-OE1 3.29Å; R621-E625 IonicContact NH2-OE1 3.18Å; R621-E625 WeakPolarHBondContact O-CG 3.27Å; R621-E625 PolarHBondContact O-N 3.05Å; L622-E625 PolarHBondContact O-N 3.46Å; R623-E625 VanDerWaalsContact C-N 3.34Å; R623-E625 PolarHBondContact O-N 2.97Å
626Q86.5Confident88Confident129 Ų129135.7 Ų135.760%0.60364%0.643SS**Hα-helixtrans-76.5-20.6176.8-73.1178.1200113.8L622 R623 H628L622-Q626 VanDerWaalsContact O-CB 3.29Å; L622-Q626 WeakPolarHBondContact O-CB 3.37Å; L622-Q626 WeakPolarHBondContact O-CG 3.4Å; L622-Q626 PolarHBondContact O-N 2.89Å; R623-Q626 PolarHBondContact O-N 3.13Å; Q626-H628 PolarHBondContact O-CD2 3.26Å; Q626-H628 PolarHBondContact O-N 2.84Å
627V89.3Confident87.7Confident98 Ų98137.7 Ų137.759%0.59466%0.656SS**SBendtrans-70.299.1173.7170.70000108.6R623 Q624 K629R623-V627 WeakPolarHBondContact O-CG2 3.22Å; R623-V627 PolarHBondContact O-N 3.39Å; Q624-V627 PolarHBondContact O-N 3.27Å; V627-K629 PolarHBondContact O-N 3.48Å
628H80.3Confident87Confident177 Ų177137.4 Ų137.482%0.81967%0.666SS**  trans-60.6110.2174.3-66.2173.1000110.2Q626 A630Q626-H628 PolarHBondContact O-CD2 3.26Å; Q626-H628 PolarHBondContact O-N 2.84Å; H628-A630 PolarHBondContact O-N 3.13Å
629K84.6Confident86.4Confident194 Ų194136.8 Ų136.884%0.84367%0.671SS**PPolyproline II helixtrans-69.7127.4171.8-63.8-175.3-179179.30108.8V627 Q631V627-K629 PolarHBondContact O-N 3.48Å; K629-Q631 PolarHBondContact O-N 3.07Å
630A83.6Confident85.8Confident94 Ų94137 Ų13778%0.77769%0.685SS**PPolyproline II helixtrans-58.6137.417800000110.2H628H628-A630 PolarHBondContact O-N 3.13Å
631Q83Confident84.9Confident148 Ų148141 Ų14169%0.69271%0.705SS**PPolyproline II helixtrans-61.5132.7170.3-69.1-170.2-10.500108.3K629 I633K629-Q631 PolarHBondContact O-N 3.07Å; Q631-I633 PolarHBondContact O-N 3.45Å
632P87.9Confident84.1Confident115 Ų115142.1 Ų142.175%0.74772%0.715SS**PPolyproline II helixtrans-55.4138.3176.420.6-29.9000109.5R634P632-R634 PolarHBondContact O-N 3.11Å; P632-R634 VanDerWaalsContact O-N 3.13Å
633I82.6Confident83.4Confident143 Ų143146.7 Ų146.773%0.73373%0.73SS**PPolyproline II helixtrans-54123.1-175.6-62172.8000108.5Q631 H635Q631-I633 PolarHBondContact O-N 3.45Å; I633-H635 PolarHBondContact O-CE1 3.36Å; I633-H635 PolarHBondContact O-N 3.21Å; I633-H635 VanDerWaalsContact O-N 3.13Å; I633-H635 PolarHBondContact O-ND1 3.11Å
634R83.6Confident82.4Confident160 Ų160143.2 Ų143.260%0.60473%0.732SS**  trans-69.5110.6178.6-67.3-177.7179.5-166.70.5108.4P632 Y636P632-R634 PolarHBondContact O-N 3.11Å; P632-R634 VanDerWaalsContact O-N 3.13Å; R634-Y636 HydrophobicContact CB-CD2 4.5Å; R634-Y636 HydrophobicContact CB-CE1 4.2Å; R634-Y636 HydrophobicContact CB-CE2 3.82Å; R634-Y636 WeakPolarHBondContact CD-OH 3.33Å; R634-Y636 WeakPolarHBondContact O-CD2 3.34Å; R634-Y636 WeakPolarHBondContact O-CE2 3.46Å; R634-Y636 PolarHBondContact O-N 2.93Å
635H83.3Confident81.5Confident178 Ų178144.4 Ų144.482%0.82474%0.743SS**  trans-81.5100.2173.3-6671.4000108I633I633-H635 PolarHBondContact O-CE1 3.36Å; I633-H635 PolarHBondContact O-N 3.21Å; I633-H635 VanDerWaalsContact O-N 3.13Å; I633-H635 PolarHBondContact O-ND1 3.11Å
636Y84.2Confident81Confident180 Ų180143.8 Ų143.871%0.70675%0.747SS**PPolyproline II helixtrans-77.3150.9174.5-58.6-77.5000110R634R634-Y636 HydrophobicContact CB-CD2 4.5Å; R634-Y636 HydrophobicContact CB-CE1 4.2Å; R634-Y636 HydrophobicContact CB-CE2 3.82Å; R634-Y636 WeakPolarHBondContact CD-OH 3.33Å; R634-Y636 WeakPolarHBondContact O-CD2 3.34Å; R634-Y636 WeakPolarHBondContact O-CE2 3.46Å; R634-Y636 PolarHBondContact O-N 2.93Å
637K85.3Confident80.5Confident196 Ų196143 Ų14385%0.85275%0.753SS**PPolyproline II helixtrans-56.4125.8171.1-71.7-176.4178.1-179.30108.4V639K637-V639 PolarHBondContact O-N 3.32Å
638P80.3Confident79.8Confident125 Ų125146.4 Ų146.481%0.81277%0.767SS**PPolyproline II helixtrans-60.1126.417924-32.3000108.7A640P638-A640 PolarHBondContact O-N 2.89Å; P638-A640 VanDerWaalsContact O-N 3.11Å
639V80.1Confident79.7Confident128 Ų128144 Ų14478%0.77677%0.765SS**  trans-64.4114.8176177.10000107K637 V641K637-V639 PolarHBondContact O-N 3.32Å; V639-V641 VanDerWaalsContact C-N 3.31Å; V639-V641 HydrophobicContact CG1-CG2 4.46Å; V639-V641 PolarHBondContact O-N 3.42Å
640A78.8Confident79Confident86 Ų86140.5 Ų140.571%0.71176%0.76SS**  trans-68.692.8172.100000108.3P638 K642P638-A640 PolarHBondContact O-N 2.89Å; P638-A640 VanDerWaalsContact O-N 3.11Å; A640-K642 VanDerWaalsContact C-N 3.33Å; A640-K642 PolarHBondContact O-N 3.22Å
641V74.8Confident78.3Confident127 Ų127141.8 Ų141.877%0.7776%0.76SS**  trans-69.494.1173.1-176.40000107.4V639 K643V639-V641 VanDerWaalsContact C-N 3.31Å; V639-V641 HydrophobicContact CG1-CG2 4.46Å; V639-V641 PolarHBondContact O-N 3.42Å; V641-K643 PolarHBondContact O-N 3.28Å
642K78.7Confident77.7Confident187 Ų187143.6 Ų143.681%0.81377%0.768SS**PPolyproline II helixtrans-65.4121.8167.7-65.1-175.1178-176.90107.1A640 S644A640-K642 VanDerWaalsContact C-N 3.33Å; A640-K642 PolarHBondContact O-N 3.22Å; K642-S644 PolarHBondContact O-N 3.35Å
643K76.1Confident76.8Confident187 Ų187143.2 Ų143.281%0.81377%0.768SS**PPolyproline II helixtrans-60.5133.5169.7-64.9-178.6-179.6177.90107.1V641 D645V641-K643 PolarHBondContact O-N 3.28Å; K643-D645 PolarHBondContact O-N 2.8Å
644S70.3Confident76.2Confident97 Ų97140.7 Ų140.768%0.67876%0.761SS**PPolyproline II helixtrans-68.5124.6174.953.50000109K642 V646K642-S644 PolarHBondContact O-N 3.35Å; S644-V646 PolarHBondContact O-N 3.43Å; S644-V646 VanDerWaalsContact O-N 3.14Å
645D70.6Confident75.3Confident165 Ų165140.3 Ų140.388%0.88277%0.771SS**  trans-73.86.7171.8-60.2-42.1000112.7K643K643-D645 PolarHBondContact O-N 2.8Å
646V77.1Confident74Confident106 Ų106140 Ų14064%0.64277%0.768SS**SBendtrans-78.2119177.5-176.70000108.5S644 L648S644-V646 PolarHBondContact O-N 3.43Å; S644-V646 VanDerWaalsContact O-N 3.14Å; V646-L648 PolarHBondContact O-N 2.81Å
647P76.3Confident72.8Confident111 Ų111135.7 Ų135.772%0.72176%0.764SS**PPolyproline II helixtrans-62138.8177.226.2-33.4000109.9T649P647-T649 PolarHBondContact O-N 3.14Å; P647-T649 VanDerWaalsContact O-N 3.11Å
648L75.1Confident71.5Confident171 Ų171135.5 Ų135.590%0.89576%0.763SS**PPolyproline II helixtrans-57.4117.9-179.1-147.180.2000109.4V646 V650V646-L648 PolarHBondContact O-N 2.81Å; L648-V650 PolarHBondContact O-N 3.39Å; L648-V650 VanDerWaalsContact O-N 3.15Å
649T77.1Confident70.1Confident126 Ų126139.7 Ų139.777%0.77376%0.763SS**  trans-64115-178.8-49.50000109.7P647P647-T649 PolarHBondContact O-N 3.14Å; P647-T649 VanDerWaalsContact O-N 3.11Å
650V71.6Confident68.7Low121 Ų121141.8 Ų141.873%0.73376%0.762SS**  trans-70.4124.2172.8-178.20000107.8L648 E652L648-V650 PolarHBondContact O-N 3.39Å; L648-V650 VanDerWaalsContact O-N 3.15Å; V650-E652 PolarHBondContact O-N 3.11Å; V650-E652 VanDerWaalsContact O-N 3.15Å
651P67.9Low67.4Low120 Ų120148.8 Ų148.878%0.77977%0.77SS**  trans-70.3111.3178.427.2-32.4000110
652E70.4Confident66.1Low186 Ų186151 Ų15187%0.86977%0.769SS**PPolyproline II helixtrans-77.8127.6163.6-73.7-162.3154.800109.4V650V650-E652 PolarHBondContact O-N 3.11Å; V650-E652 VanDerWaalsContact O-N 3.15Å
653S69.8Low64.5Low107 Ų107149.8 Ų149.875%0.74877%0.771SS**PPolyproline II helixtrans-69.5140.6175.254.40000110.2N655S653-N655 PolarHBondContact O-N 3.48Å
654P69.4Low63.1Low90 Ų90151 Ų15158%0.58478%0.776SS**PPolyproline II helixtrans-59.7135176.1-17.528000110.3F656P654-F656 HydrophobicContact CB-CD2 4.2Å; P654-F656 HydrophobicContact CB-CE2 3.79Å; P654-F656 HydrophobicContact CB-CZ 4.21Å; P654-F656 HydrophobicContact CG-CE2 3.96Å; P654-F656 HydrophobicContact CG-CZ 4.38Å; P654-F656 WeakPolarHBondContact O-CD2 3.2Å; P654-F656 PolarHBondContact O-N 3.15Å
655N64.5Low61.6Low153 Ų153150 Ų15082%0.81878%0.781SS**  trans-73.676.6-178.7-152.1-18.8000110.3S653 S657S653-N655 PolarHBondContact O-N 3.48Å; N655-S657 PolarHBondContact O-N 3.15Å
656F56.9Low60.3Low172 Ų172145.3 Ų145.375%0.75477%0.772SS**  trans-63.9130175.7-71.4-79.2000109.6P654P654-F656 HydrophobicContact CB-CD2 4.2Å; P654-F656 HydrophobicContact CB-CE2 3.79Å; P654-F656 HydrophobicContact CB-CZ 4.21Å; P654-F656 HydrophobicContact CG-CE2 3.96Å; P654-F656 HydrophobicContact CG-CZ 4.38Å; P654-F656 WeakPolarHBondContact O-CD2 3.2Å; P654-F656 PolarHBondContact O-N 3.15Å
657S57.7Low58.7Low89 Ų89149.7 Ų149.762%0.62279%0.785SS**  trans-42.9142.1-169.169.30000115.7N655 R659N655-S657 PolarHBondContact O-N 3.15Å; S657-R659 PolarHBondContact O-N 3.39Å
658K57.4Low57.4Low191 Ų191154.1 Ų154.183%0.8379%0.793SS**SBendtrans-69.441.6173.8-60.9179.1-179.5175.80113.8
659R52.1Low55.8Low214 Ų214154 Ų15481%0.80879%0.792SS**  trans-1052.2-174.8-88.6-170.6-166-166.25.2116.3S657S657-R659 PolarHBondContact O-N 3.39Å
660F49.9Very low54.6Low171 Ų171153.4 Ų153.475%0.7579%0.79SS**  trans-129.581.4169-70.7-73.1000110.6F662F660-F662 HydrophobicContact CB-CD2 4.47Å; F660-F662 AromaticContact CD1-CD2 3.97Å; F660-F662 HydrophobicContact CD1-CD2 3.97Å; F660-F662 AromaticContact CD1-CE2 3.59Å; F660-F662 HydrophobicContact CD1-CE2 3.59Å; F660-F662 HydrophobicContact CE1-CE2 4.1Å; F660-F662 PolarHBondContact O-N 3.4Å
661R52.5Low53.3Low234 Ų234156.1 Ų156.188%0.88380%0.795SS**  trans-82.492.7153.2-68.4-171.1-163.91695106.8
662F47.2Very low52.1Low173 Ų173155.7 Ų155.776%0.75979%0.79SS**  trans-91136.6158.5-86.4-73.9000109.6F660F660-F662 HydrophobicContact CB-CD2 4.47Å; F660-F662 AromaticContact CD1-CD2 3.97Å; F660-F662 HydrophobicContact CD1-CD2 3.97Å; F660-F662 AromaticContact CD1-CE2 3.59Å; F660-F662 HydrophobicContact CD1-CE2 3.59Å; F660-F662 HydrophobicContact CE1-CE2 4.1Å; F660-F662 PolarHBondContact O-N 3.4Å
663L44.2Very low50.8Low161 Ų161152.5 Ų152.584%0.84378%0.783SS**  trans-64.2154.3-165.9-74.6134.9000113.4
664K46.7Very low49.5Very low212 Ų212155.5 Ų155.592%0.92278%0.784SS**  trans-25136.4165.8-67.8179.1173.1179.60115.2
665G39.4Very low48.2Very low76 Ų76155.8 Ų155.878%0.78479%0.789SS**  trans-170.194.815700000108.3
666G43.5Very low47Very low67 Ų67154.1 Ų154.169%0.69179%0.788SS**  trans-66.8153.4178.900000111.4
667H44.1Very low46.3Very low198 Ų198153 Ų15392%0.91779%0.789SS**  trans-165.6120.1135-99-74.9000107.7
668K47.9Very low45.6Very low205 Ų205157 Ų15789%0.89180%0.796SS**  trans-59.8134.1170-73.5172.4172.1178.20109.3
669L41.5Very low45.4Very low168 Ų168154.5 Ų154.588%0.8880%0.797SS**  trans-135142151.7-79.3175.8000110.2
670P52.9Low45.1Very low113 Ų113152.6 Ų152.673%0.73480%0.795SS**  trans-84.5152.4-162.532.7-35.6000114.4V672P670-V672 PolarHBondContact O-N 3.23Å
671H43.1Very low45Very low178 Ų178155.8 Ų155.882%0.82482%0.817SS**  trans-44.3125.9164.6-106.3-95.8000112.8
672V42.7Very low44.7Very low112 Ų112151.9 Ų151.968%0.67981%0.814SS**  trans-124.2110.8155-178.40000107.8P670P670-V672 PolarHBondContact O-N 3.23Å
673V43.8Very low44.5Very low118 Ų118150.7 Ų150.772%0.71582%0.816SS**  trans-76.2117.5175-178.10000107.7
674H41.4Very low44.6Very low170 Ų170150.2 Ų150.279%0.78782%0.815SS**  trans-110.899162-81.481.2000108.1C676H674-C676 PolarHBondContact O-N 3.37Å
675S43Very low44.4Very low96 Ų96146.5 Ų146.567%0.67181%0.809SS**  trans-72.1114.5168.166.20000109
676C38.5Very low44.8Very low119 Ų119150.9 Ų150.980%0.80481%0.81SS**  trans-9496.1167.3-152.40000107.4H674 K678H674-C676 PolarHBondContact O-N 3.37Å; C676-K678 PolarHBondContact O-N 3.49Å
677N43.9Very low44.8Very low147 Ų147156.5 Ų156.579%0.78682%0.818SS**  trans-75.5104.3167.7-81.9-18.3000108.1
678K42.9Very low44.9Very low174 Ų174153.6 Ų153.676%0.75781%0.811SS**  trans-106.487.6171.3-160.3166.9-169.8172.50107.3C676C676-K678 PolarHBondContact O-N 3.49Å
679T51.7Low44.7Very low138 Ų138149.6 Ų149.685%0.84781%0.805SS**  trans-84.9112.116811.40000108.4
680F47.2Very low44.9Very low175 Ų175148.1 Ų148.177%0.76880%0.799SS**  trans-86.7117.8160.5-101.5-92.9000107.6
681I47.9Very low44.2Very low237 Ų237151.3 Ų151.3100%1.21581%0.805SS**  trans-136.90130.6-63.6-172000105.8

Retrieved 681 of 681 residues in 2422.9 ms (Link to these results)