A0A3Q0KR09_SCHMA Loading...

Enkurin domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M48.2Very low51.5Low245 Ų245153.4 Ų153.4100%1.20783%0.831SS**  0127.40-72.7-177.7159.300107.8
2T47.2Very low51.8Low134 Ų134149.8 Ų149.882%0.82282%0.818SS**  trans-75120.9-144.743.80000115.1
3S43.3Very low51.3Low123 Ų123148.3 Ų148.386%0.8681%0.809SS**  trans-86126164.7-78.60000109.8
4I59.8Low51Low156 Ų156147.9 Ų147.980%0.881%0.805SS**  trans-111.4114.6173.2-59.1172.7000107.8
5L45.2Very low50.3Low147 Ų147152.3 Ų152.377%0.7781%0.808SS**  trans-84.9118.4178.3-149.575.6000107.7
6S58.9Low50.2Low112 Ų112150.1 Ų150.178%0.78380%0.802SS**  trans-111.1117.9169.963.10000110.2
7H54.1Low50Low163 Ų163150.4 Ų150.476%0.75580%0.804SS**PPolyproline II helixtrans-83.9128.4175.8-81.336.5000110
8H55.3Low49.5Very low183 Ų183151.1 Ų151.185%0.84780%0.804SS**PPolyproline II helixtrans-94.2129.6164.8-98.6-51.2000109.7
9P58.7Low49.1Very low108 Ų108149.6 Ų149.670%0.70181%0.805SS**PPolyproline II helixtrans-82.5136.2173.331.3-30000111.3
10V48.7Very low49.1Very low127 Ų127152.4 Ų152.477%0.7781%0.809SS**PPolyproline II helixtrans-72.3120.1175.6175.60000109.6V12V10-V12 HydrophobicContact CG1-CG2 4.05Å
11F47.5Very low49.1Very low189 Ų189150.4 Ų150.483%0.82981%0.805SS**  trans-84.5112.5166.5-101.9-90.7000109.6
12V54.9Low48.8Very low111 Ų111146.7 Ų146.767%0.67379%0.79SS**  trans-91.9113.2171.4179.60000108.1V10 N14V10-V12 HydrophobicContact CG1-CG2 4.05Å; V12-N14 PolarHBondContact O-N 3.38Å
13N45.3Very low48.5Very low130 Ų130147.9 Ų147.970%0.69579%0.79SS**  trans-82.1104.5172.6-73-23.8000109.8
14N46.4Very low48.6Very low143 Ų143149.4 Ų149.477%0.76579%0.786SS**  trans-106.399.8162.9-92.8-11.9000109.4V12V12-N14 PolarHBondContact O-N 3.38Å
15Y41Very low47.8Very low214 Ų214149.2 Ų149.284%0.83979%0.787SS**  trans-88.599.6164.2-82.6-84.1000109
16T48.2Very low47.6Very low116 Ų116149.5 Ų149.571%0.71278%0.784SS**  trans-113.1108.3160.534.20000108.3M18T16-M18 PolarHBondContact O-N 3.15Å; T16-M18 VanDerWaalsContact O-N 3.16Å
17N46.5Very low47Very low156 Ų156152.3 Ų152.383%0.83479%0.79SS**  trans-61.7108.3171.2-78.6-40.3000109.7
18M41.7Very low46.3Very low163 Ų163152.5 Ų152.580%0.80380%0.796SS**PPolyproline II helixtrans-95.5122.5168-78.2-72.6106.100109.7T16T16-M18 PolarHBondContact O-N 3.15Å; T16-M18 VanDerWaalsContact O-N 3.16Å
19C42.7Very low45.9Very low123 Ų123153.9 Ų153.983%0.83180%0.799SS**PPolyproline II helixtrans-58.9133168.2-73.30000110.3P21C19-P21 WeakPolarHBondContact O-CD 3.33Å
20K48.3Very low44.9Very low205 Ų205153.4 Ų153.489%0.89180%0.798SS**PPolyproline II helixtrans-75.3127.6165.3-71.7177.5174.8179.20109.5
21P48.6Very low44.7Very low111 Ų111152.7 Ų152.772%0.72180%0.795SS**PPolyproline II helixtrans-94.5138.2159.432.5-23.4000110.2C19 L23C19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-L23 PolarHBondContact O-N 3.41Å
22N42Very low44.5Very low167 Ų167150 Ų15089%0.89379%0.789SS**PPolyproline II helixtrans-64.6125.7170.7-86.7-33.8000110.2M24N22-M24 PolarHBondContact O-N 3.01Å
23L41.1Very low44Very low158 Ų158152.7 Ų152.783%0.82779%0.794SS**  trans-75.8114.8166.7-10776.7000109.3P21P21-L23 PolarHBondContact O-N 3.41Å
24M46.3Very low44Very low155 Ų155152.8 Ų152.876%0.76480%0.799SS**  trans-90.1117.7165.5-140.3114.412400107.5N22 H26N22-M24 PolarHBondContact O-N 3.01Å; M24-H26 PolarHBondContact O-N 3.21Å
25N43.1Very low43.7Very low153 Ų153153 Ų15382%0.81880%0.8SS**  trans-73.3118.8175.8-79.8-36.9000110.3
26H41.1Very low43.7Very low152 Ų152153.4 Ų153.470%0.70481%0.807SS**  trans-111.8113.2165-57.9-66.3000108M24M24-H26 PolarHBondContact O-N 3.21Å
27N45.7Very low43.4Very low171 Ų171156.9 Ų156.991%0.91481%0.812SS**  trans-106.3105.8163.7-104.6-33.2000107.8
28L39Very low43.1Very low167 Ų167154.8 Ų154.887%0.87481%0.808SS**  trans-80.8132164.9-73.5160.1000108
29K46.5Very low43.3Very low212 Ų212152.4 Ų152.492%0.92280%0.804SS**  trans-138.6125.3155.8-143.2148.3-176.2-177.80110.3
30S37.3Very low43.4Very low98 Ų98154.5 Ų154.569%0.68581%0.806SS**  trans-81.2175.7-175.3-179.70000112.2
31T46Very low43.2Very low113 Ų113148.2 Ų148.269%0.69380%0.8SS**  trans85.2134.5162.6700000116.2
32D41.9Very low43.2Very low132 Ų132149 Ų14971%0.70680%0.804SS**  cis-164.4154.6-1.6-92.5-23.6000108.6
33E44.8Very low43.2Very low167 Ų167147 Ų14778%0.7880%0.798SS**  trans22.4130.5148.1-49.5-170.2167.100121.5
34T45.5Very low43.4Very low132 Ų132150.2 Ų150.281%0.8180%0.801SS**  172.6144.298.438.20000112.8
35N40.5Very low43.3Very low147 Ų147150.5 Ų150.579%0.78681%0.806SS**  trans-64.1151.5-176.2-62.2-70.9000114.6
36F41.5Very low43.7Very low223 Ų223150 Ų15098%0.97880%0.802SS**  -158.9141.6125.8-100-73.3000111.1
37K40.8Very low43.8Very low190 Ų190149.6 Ų149.683%0.82681%0.805SS**  trans-109176.4-165.4-159.9173.1-176-176.10109
38C39.8Very low43.8Very low111 Ų111148.9 Ų148.975%0.7580%0.8SS**  trans100.8139.4165.9-550000115
39T47.5Very low44.3Very low114 Ų114148.7 Ų148.770%0.69980%0.799SS**  cis-177.3134.9-1330.10000106.9
40N44.2Very low44.2Very low167 Ų167145.6 Ų145.689%0.89379%0.788SS**  trans31.3131.1143.7-51.5-22.5000123
41G44.7Very low44.7Very low73 Ų73152.3 Ų152.375%0.75380%0.799SS**  trans175.1143.7150.300000114.1
42P47.9Very low44.4Very low126 Ų126153.1 Ų153.182%0.81880%0.795SS**  trans-115.2177.2-140.739.2-26.5000118.1
43T41.8Very low44.8Very low125 Ų125153.9 Ų153.977%0.76780%0.804SS**  trans-42.2148.1176.847.10000120.3
44Y46.2Very low44.6Very low226 Ų226151.8 Ų151.889%0.88680%0.798SS**  trans-132.1124.3148.1-82-86.4000110.2
45N43Very low44.7Very low161 Ų161152.2 Ų152.286%0.86180%0.801SS**  trans-104.8140.6166.4-99.2-35.9000107.7
46I51.7Low44.8Very low144 Ų144150.8 Ų150.874%0.73880%0.799SS**  trans-133.5117.7170.3-68.4172.3000108.8
47D43.9Very low44.6Very low143 Ų143145.2 Ų145.277%0.76579%0.788SS**  trans45.2114.6145.5-53.6-24.8000120.7
48L46.1Very low44.5Very low155 Ų155143.4 Ų143.481%0.81279%0.788SS**  72.497.266.3-152.795.6000113.8
49L49.3Very low44.5Very low164 Ų164142.6 Ų142.686%0.85978%0.783SS**  trans-160.1118.3145.6-110.5135.6000110.9
50Q44.1Very low44.2Very low146 Ų146144.6 Ų144.668%0.68279%0.789SS**  trans-109137.3-174.5-175.9177.727.400108.2Q52Q50-Q52 HydrophobicContact CG-CG 4.47Å
51W48.3Very low44Very low240 Ų240144 Ų14491%0.90979%0.786SS**  trans-128116.3160.2-86.486.2000109.3
52Q38Very low43.9Very low130 Ų130151 Ų15161%0.60779%0.789SS**  trans-87.4143.9174.2-74.4166.5-47.900110.4Q50Q50-Q52 HydrophobicContact CG-CG 4.47Å
53T51.9Low43.6Very low147 Ų147153.1 Ų153.190%0.90279%0.793SS**  trans-133.4108.1145.749.70000109.5
54N39.6Very low43.6Very low124 Ų124158 Ų15866%0.66380%0.797SS**  trans-78150167.7-67.5-43.8000109.4
55T48.5Very low43.2Very low141 Ų141154.8 Ų154.887%0.86579%0.794SS**  176.2152.3119.532.80000112.1
56P42.3Very low43.1Very low116 Ų116158.8 Ų158.875%0.75380%0.797SS**  trans-113.5172.4-14239.7-29.1000115.3
57S37Very low42.4Very low106 Ų106159 Ų15974%0.74180%0.8SS**  trans-61.5134.5169.855.50000113.7
58N39.6Very low42.4Very low153 Ų153159.7 Ų159.782%0.81880%0.804SS**  trans-168129.9138.7-115.9-21.9000114.8
59S37.9Very low42.7Very low94 Ų94163.3 Ų163.366%0.65781%0.807SS**  trans76.2145.3140.784.40000120.9
60L41.9Very low43.1Very low156 Ų156166.8 Ų166.882%0.81781%0.809SS**  trans81.685.6166-55.9169.6000113.5
61D40.6Very low44.2Very low154 Ų154167.2 Ų167.282%0.82481%0.808SS**  54.9134.469.1-147.45.5000112.5
62R42Very low45.7Very low220 Ų220160.3 Ų160.383%0.8379%0.789SS**  trans81.595.4173-147.3-178.6-81.5-142.1-1.8116
63L41.7Very low48.1Very low170 Ų170162.2 Ų162.289%0.8979%0.792SS**  179.6119.4110-89.3166.3000111.6
64R41.8Very low49.5Very low228 Ų228161.4 Ų161.486%0.8678%0.781SS**  trans-75.3156.7174.2-97.8179.2172121.6-2.2111.3
65L38.7Very low51.6Low158 Ų158163.6 Ų163.683%0.82778%0.779SS**  trans70.2106159.6-83.782.1000118.4
66R39.4Very low53.4Low245 Ų245160.4 Ų160.493%0.92576%0.755SS**  -165.1126.9115.7-121.2176.9172.3-157-1.5112.3N68R66-N68 PolarHBondContact O-N 2.85Å; R66-N68 VanDerWaalsContact O-N 3.11Å
67N38.8Very low55.7Low150 Ų150159.7 Ų159.780%0.80275%0.745SS**  trans-56.8105.4173-72.2-38.5000111.4
68N42.9Very low58.2Low157 Ų157158.8 Ų158.884%0.8473%0.731SS**  trans-105.685.8158.7-94.7-18.7000108.1R66 R70R66-N68 PolarHBondContact O-N 2.85Å; R66-N68 VanDerWaalsContact O-N 3.11Å; N68-R70 PolarHBondContact O-N 2.95Å
69R52.7Low60.6Low230 Ų230157.7 Ų157.787%0.86872%0.715SS**  trans-61.889.9164.1-73.1-178.9-178.9163.80.1107.3K71R69-K71 PolarHBondContact O-N 3.35Å; R69-K71 VanDerWaalsContact O-N 3.14Å
70R57.3Low63.3Low238 Ų238157.8 Ų157.890%0.89871%0.705SS**  trans-56.6117.8162-87.5-179.6168152.5-3.3106.2N68 D72N68-R70 PolarHBondContact O-N 2.95Å; R70-D72 PolarHBondContact O-N 3.4Å; R70-D72 VanDerWaalsContact O-N 3.11Å
71K67.4Low65.7Low155 Ų155155.3 Ų155.367%0.67469%0.692SS**  trans-59.1113.7176.3-71.8175.3176.6178.20107.6R69 Y73R69-K71 PolarHBondContact O-N 3.35Å; R69-K71 VanDerWaalsContact O-N 3.14Å; K71-Y73 VanDerWaalsContact C-N 3.26Å; K71-Y73 HydrophobicContact CB-CE1 4.14Å; K71-Y73 VanDerWaalsContact O-CD2 3.27Å; K71-Y73 WeakPolarHBondContact O-CD2 3.43Å; K71-Y73 WeakPolarHBondContact O-CE2 3.35Å; K71-Y73 PolarHBondContact O-N 2.92Å
72D80.6Confident68Low94 Ų94155.5 Ų155.550%0.50368%0.681SS.*  trans-70.186.9168.1-92.5-20.7000107.7R70 I74 R75 E76R70-D72 PolarHBondContact O-N 3.4Å; R70-D72 VanDerWaalsContact O-N 3.11Å; D72-I74 PolarHBondContact O-N 3.42Å; D72-I74 VanDerWaalsContact O-N 3.12Å; D72-R75 HydrophobicContact CB-CB 3.64Å; D72-R75 PolarHBondContact O-N 3.2Å; D72-R75 IonicContact OD2-NE 3.9Å; D72-E76 PolarHBondContact O-N 2.99Å
73Y86.6Confident70.4Confident170 Ų170150.1 Ų150.167%0.66767%0.665SS**Hα-helixtrans-55-30.4178.1-57.9-77.1000111.8K71 N77K71-Y73 VanDerWaalsContact C-N 3.26Å; K71-Y73 HydrophobicContact CB-CE1 4.14Å; K71-Y73 VanDerWaalsContact O-CD2 3.27Å; K71-Y73 WeakPolarHBondContact O-CD2 3.43Å; K71-Y73 WeakPolarHBondContact O-CE2 3.35Å; K71-Y73 PolarHBondContact O-N 2.92Å; Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.21Å; Y73-N77 PolarHBondContact O-N 3.28Å
74I81.4Confident72.7Confident131 Ų131147.1 Ų147.167%0.67265%0.65SS**Hα-helixtrans-64.3-47.5174-60.7172.5000110.7D72 N77 I78D72-I74 PolarHBondContact O-N 3.42Å; D72-I74 VanDerWaalsContact O-N 3.12Å; I74-N77 PolarHBondContact O-N 2.64Å; I74-I78 HydrophobicContact CG2-CD1 3.88Å; I74-I78 WeakPolarHBondContact O-CB 3.33Å; I74-I78 VanDerWaalsContact O-CG1 3.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.07Å
75R85.3Confident74.8Confident169 Ų169142.3 Ų142.364%0.63864%0.637SS**Hα-helixtrans-68.2-38.6-178.6-168-175.7-73.1-103.52.4111.7D72 R79D72-R75 HydrophobicContact CB-CB 3.64Å; D72-R75 PolarHBondContact O-N 3.2Å; D72-R75 IonicContact OD2-NE 3.9Å; R75-R79 WeakPolarHBondContact O-CB 3.45Å; R75-R79 PolarHBondContact O-N 2.88Å
76E86.7Confident77.2Confident74 Ų74139.8 Ų139.835%0.34662%0.624SS.*Hα-helixtrans-68.6-42.8174.7-75.3-72.7124.900112D72 I78 R79 H80D72-E76 PolarHBondContact O-N 2.99Å; E76-I78 PolarHBondContact O-N 2.7Å; E76-R79 WeakPolarHBondContact O-CB 3.26Å; E76-R79 PolarHBondContact O-N 2.99Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 IonicContact OE1-CZ 2.71Å; E76-R79 IonicContact OE1-NH1 2.71Å; E76-R79 PolarHBondContact OE1-NH1 3.21Å; E76-R79 IonicContact OE1-NH2 3.35Å; E76-H80 PolarHBondContact O-N 3.02Å
77N89.5Confident79.5Confident101 Ų101130.4 Ų130.454%0.5460%0.596SS.*Hα-helixtrans-62.9-41.1175.4-82.8-6.3000112.3Y73 I74 R79 H80 L81Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.21Å; Y73-N77 PolarHBondContact O-N 3.28Å; I74-N77 PolarHBondContact O-N 2.64Å; N77-R79 VanDerWaalsContact C-N 3.31Å; N77-R79 PolarHBondContact O-N 2.94Å; N77-H80 PolarHBondContact O-N 3.03Å; N77-L81 WeakPolarHBondContact O-CB 3.45Å; N77-L81 PolarHBondContact O-N 3.21Å
78I89.4Confident81.5Confident87 Ų87129.5 Ų129.545%0.44659%0.589SS.*Hα-helixtrans-62.6-39.9173.9-68.7167.2000110.6I74 E76 R82I74-I78 HydrophobicContact CG2-CD1 3.88Å; I74-I78 WeakPolarHBondContact O-CB 3.33Å; I74-I78 VanDerWaalsContact O-CG1 3.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.07Å; E76-I78 PolarHBondContact O-N 2.7Å; I78-R82 WeakPolarHBondContact O-CB 3.39Å; I78-R82 PolarHBondContact O-N 2.88Å
79R91.1Very high83.4Confident130 Ų130124 Ų12449%0.49157%0.565SS.*Hα-helixtrans-64.2-45176.2-171.9-170.9-73.5156.62.4111.4R75 E76 N77 R82 Q83R75-R79 WeakPolarHBondContact O-CB 3.45Å; R75-R79 PolarHBondContact O-N 2.88Å; E76-R79 WeakPolarHBondContact O-CB 3.26Å; E76-R79 PolarHBondContact O-N 2.99Å; E76-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 IonicContact OE1-CZ 2.71Å; E76-R79 IonicContact OE1-NH1 2.71Å; E76-R79 PolarHBondContact OE1-NH1 3.21Å; E76-R79 IonicContact OE1-NH2 3.35Å; N77-R79 VanDerWaalsContact C-N 3.31Å; N77-R79 PolarHBondContact O-N 2.94Å; R79-R82 PolarHBondContact O-N 2.94Å; R79-Q83 WeakPolarHBondContact O-CG 3.33Å; R79-Q83 PolarHBondContact O-N 3.44Å
80H93.4Very high84.5Confident96 Ų96119.3 Ų119.344%0.44455%0.551SS.*Hα-helixtrans-63.8-42.6176.8-75.7161000112.6E76 N77 R82 Q83 L84E76-H80 PolarHBondContact O-N 3.02Å; N77-H80 PolarHBondContact O-N 3.03Å; H80-R82 VanDerWaalsContact C-N 3.32Å; H80-R82 PolarHBondContact O-N 3.44Å; H80-Q83 PolarHBondContact O-N 3.44Å; H80-L84 WeakPolarHBondContact O-CG 3.46Å; H80-L84 PolarHBondContact O-N 2.94Å
81L91.7Very high85.6Confident104 Ų104115.1 Ų115.155%0.54554%0.539SS..Hα-helixtrans-59.4-44174.8-87.7161.5000111.5N77 Q83 L84 E85N77-L81 WeakPolarHBondContact O-CB 3.45Å; N77-L81 PolarHBondContact O-N 3.21Å; L81-Q83 PolarHBondContact O-N 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.43Å; L81-L84 PolarHBondContact O-N 3Å; L81-E85 WeakPolarHBondContact O-CG 3.11Å; L81-E85 PolarHBondContact O-N 3.31Å
82R90.4Very high86.2Confident159 Ų159114.1 Ų114.160%0.654%0.535SS*.Hα-helixtrans-65.2-38.8178-152.1177.8-70.1-141.9-1.5112.1I78 R79 H80 E85 D86I78-R82 WeakPolarHBondContact O-CB 3.39Å; I78-R82 PolarHBondContact O-N 2.88Å; R79-R82 PolarHBondContact O-N 2.94Å; H80-R82 VanDerWaalsContact C-N 3.32Å; H80-R82 PolarHBondContact O-N 3.44Å; R82-E85 PolarHBondContact O-N 2.94Å; R82-D86 WeakPolarHBondContact O-CB 3.36Å; R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 3.16Å
83Q91.2Very high86Confident106 Ų106117 Ų11750%0.49554%0.539SS..Hα-helixtrans-64.5-37.4172.6-77.1173.5-11.500112.6R79 H80 L81 D86 S87R79-Q83 WeakPolarHBondContact O-CG 3.33Å; R79-Q83 PolarHBondContact O-N 3.44Å; H80-Q83 PolarHBondContact O-N 3.44Å; L81-Q83 PolarHBondContact O-N 3.38Å; Q83-D86 PolarHBondContact O-N 2.96Å; Q83-S87 WeakPolarHBondContact O-CB 3.35Å; Q83-S87 PolarHBondContact O-N 3.25Å
84L89.9Confident85.4Confident107 Ų107111.8 Ų111.856%0.5653%0.525SS*.Hα-helixtrans-66.2-44.7174.9-75.9171.4000111.2H80 L81 S87 M88H80-L84 WeakPolarHBondContact O-CG 3.46Å; H80-L84 PolarHBondContact O-N 2.94Å; L81-L84 WeakPolarHBondContact O-CB 3.43Å; L81-L84 PolarHBondContact O-N 3Å; L84-S87 PolarHBondContact O-N 3.48Å; L84-S87 PolarHBondContact O-OG 3.19Å; L84-M88 WeakPolarHBondContact O-CB 3.21Å; L84-M88 VanDerWaalsContact O-CG 3.24Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 3.3Å
85E85.9Confident85.1Confident128 Ų128108.6 Ų108.660%0.59852%0.518SS*.Hα-helixtrans-58.9-45.5173.9-72.5175.7168.600111.7L81 R82 S87 M88 A89L81-E85 WeakPolarHBondContact O-CG 3.11Å; L81-E85 PolarHBondContact O-N 3.31Å; R82-E85 PolarHBondContact O-N 2.94Å; E85-S87 VanDerWaalsContact C-N 3.34Å; E85-S87 PolarHBondContact O-N 3.04Å; E85-M88 PolarHBondContact O-N 2.78Å; E85-A89 VanDerWaalsContact O-CB 3.27Å; E85-A89 WeakPolarHBondContact O-CB 3.46Å; E85-A89 PolarHBondContact O-N 2.92Å
86D89.2Confident84.5Confident104 Ų104107 Ų10756%0.55652%0.518SS*.Hα-helixtrans-63.7-39.4176.3-73.9-24.8000111.5R82 Q83 A89 F90R82-D86 WeakPolarHBondContact O-CB 3.36Å; R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 3.16Å; Q83-D86 PolarHBondContact O-N 2.96Å; D86-A89 PolarHBondContact O-N 3.46Å; D86-F90 WeakPolarHBondContact O-CB 3.39Å; D86-F90 PolarHBondContact O-N 2.97Å
87S87.8Confident83.7Confident48 Ų48111.4 Ų111.434%0.33654%0.538SS..Hα-helixtrans-67-37176.4840000112.5Q83 L84 E85 K91Q83-S87 WeakPolarHBondContact O-CB 3.35Å; Q83-S87 PolarHBondContact O-N 3.25Å; L84-S87 PolarHBondContact O-N 3.48Å; L84-S87 PolarHBondContact O-OG 3.19Å; E85-S87 VanDerWaalsContact C-N 3.34Å; E85-S87 PolarHBondContact O-N 3.04Å; S87-K91 WeakPolarHBondContact O-CB 3.4Å; S87-K91 WeakPolarHBondContact O-CG 3.37Å; S87-K91 PolarHBondContact O-N 3.04Å
88M81.1Confident82.4Confident132 Ų132110 Ų11065%0.6554%0.535SS*.Hα-helixtrans-72.6-40.4176.8-71.2-77.1-86.100110.7L84 E85 F90 K91 K92L84-M88 WeakPolarHBondContact O-CB 3.21Å; L84-M88 VanDerWaalsContact O-CG 3.24Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 3.3Å; E85-M88 PolarHBondContact O-N 2.78Å; M88-F90 VanDerWaalsContact C-N 3.34Å; M88-K91 PolarHBondContact O-N 2.64Å; M88-K92 VanDerWaalsContact O-CB 3.24Å; M88-K92 WeakPolarHBondContact O-CB 3.43Å; M88-K92 PolarHBondContact O-N 3.11Å
89A82.1Confident80.7Confident41 Ų41109.5 Ų109.534%0.33955%0.552SS.*Hα-helixtrans-66.8-35.4173.800000112E85 D86 R93E85-A89 VanDerWaalsContact O-CB 3.27Å; E85-A89 WeakPolarHBondContact O-CB 3.46Å; E85-A89 PolarHBondContact O-N 2.92Å; D86-A89 PolarHBondContact O-N 3.46Å; A89-R93 WeakPolarHBondContact O-CB 3.24Å; A89-R93 PolarHBondContact O-N 2.94Å
90F77.4Confident78.7Confident132 Ų132108 Ų10858%0.57956%0.557SS**Hα-helixtrans-68-49172.8-177.6-98.2000111D86 M88 K92 R93 V94D86-F90 WeakPolarHBondContact O-CB 3.39Å; D86-F90 PolarHBondContact O-N 2.97Å; M88-F90 VanDerWaalsContact C-N 3.34Å; F90-K92 VanDerWaalsContact C-N 3.3Å; F90-K92 PolarHBondContact O-N 3.14Å; F90-R93 PolarHBondContact O-N 3.22Å; F90-V94 HydrophobicContact CD1-CG2 4.09Å; F90-V94 HydrophobicContact CE1-CG2 3.71Å; F90-V94 HydrophobicContact CE2-CG2 4.23Å; F90-V94 HydrophobicContact CZ-CG2 3.78Å; F90-V94 WeakPolarHBondContact O-CG2 3.45Å; F90-V94 PolarHBondContact O-N 3.1Å
91K78.8Confident76.1Confident149 Ų149108.7 Ų108.765%0.64857%0.573SS**Hα-helixtrans-60-38.8174.9-79.9-177.2178.3-175.30112.3S87 M88 V94 A95S87-K91 WeakPolarHBondContact O-CB 3.4Å; S87-K91 WeakPolarHBondContact O-CG 3.37Å; S87-K91 PolarHBondContact O-N 3.04Å; M88-K91 PolarHBondContact O-N 2.64Å; K91-V94 PolarHBondContact O-N 3.36Å; K91-A95 VanDerWaalsContact O-CB 3.27Å; K91-A95 WeakPolarHBondContact O-CB 3.24Å; K91-A95 PolarHBondContact O-N 2.69Å
92K80.9Confident74Confident135 Ų135110.6 Ų110.659%0.58758%0.582SS**Hα-helixtrans-64.8-44.4174.9-171.6177.5177.9-175.20111.6M88 F90 A95 E96M88-K92 VanDerWaalsContact O-CB 3.24Å; M88-K92 WeakPolarHBondContact O-CB 3.43Å; M88-K92 PolarHBondContact O-N 3.11Å; F90-K92 VanDerWaalsContact C-N 3.3Å; F90-K92 PolarHBondContact O-N 3.14Å; K92-A95 PolarHBondContact O-N 3.14Å; K92-E96 WeakPolarHBondContact CE-OE1 3.21Å; K92-E96 WeakPolarHBondContact O-CB 3.38Å; K92-E96 WeakPolarHBondContact O-CG 3.27Å; K92-E96 PolarHBondContact O-N 3.01Å
93R75.4Confident71.9Confident153 Ų153108.2 Ų108.258%0.57759%0.586SS**Hα-helixtrans-63.5-40174.3-96.5-175.3-79.5175.5-7112.9A89 F90 E96 Q97A89-R93 WeakPolarHBondContact O-CB 3.24Å; A89-R93 PolarHBondContact O-N 2.94Å; F90-R93 PolarHBondContact O-N 3.22Å; R93-E96 PolarHBondContact O-N 3.4Å; R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.47Å
94V75.9Confident69.8Low62 Ų62109 Ų10938%0.37660%0.6SS.*Hα-helixtrans-68-40.2176.71740000110.7F90 K91 E96 Q97 C98F90-V94 HydrophobicContact CD1-CG2 4.09Å; F90-V94 HydrophobicContact CE1-CG2 3.71Å; F90-V94 HydrophobicContact CE2-CG2 4.23Å; F90-V94 HydrophobicContact CZ-CG2 3.78Å; F90-V94 WeakPolarHBondContact O-CG2 3.45Å; F90-V94 PolarHBondContact O-N 3.1Å; K91-V94 PolarHBondContact O-N 3.36Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 3.36Å; V94-Q97 PolarHBondContact O-N 3.21Å; V94-C98 WeakPolarHBondContact O-CB 3.48Å; V94-C98 PolarHBondContact O-N 2.78Å
95A73.1Confident67.9Low64 Ų64110.1 Ų110.153%0.52961%0.611SS.*Hα-helixtrans-68.9-27.9174.200000113.2K91 K92 C98K91-A95 VanDerWaalsContact O-CB 3.27Å; K91-A95 WeakPolarHBondContact O-CB 3.24Å; K91-A95 PolarHBondContact O-N 2.69Å; K92-A95 PolarHBondContact O-N 3.14Å; A95-C98 CarbonylContact O-C 3.57Å
96E73.2Confident65.6Low134 Ų134111.5 Ų111.563%0.62662%0.623SS**Hα-helixtrans-77.1-30.5172.8-77.2172.5-176.500112.3K92 R93 V94K92-E96 WeakPolarHBondContact CE-OE1 3.21Å; K92-E96 WeakPolarHBondContact O-CB 3.38Å; K92-E96 WeakPolarHBondContact O-CG 3.27Å; K92-E96 PolarHBondContact O-N 3.01Å; R93-E96 PolarHBondContact O-N 3.4Å; V94-E96 VanDerWaalsContact C-N 3.33Å; V94-E96 PolarHBondContact O-N 3.36Å
97Q71.3Confident63.3Low167 Ų167117.3 Ų117.378%0.7864%0.637SS**Hα-helixtrans-79.9-37.9174.6-74.3-174.211.600112.8R93 V94 G99R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.47Å; V94-Q97 PolarHBondContact O-N 3.21Å; Q97-G99 PolarHBondContact O-N 2.71Å
98C62.2Low61Low71 Ų71120.3 Ų120.348%0.4865%0.653SS.*SBendtrans-95.885.9172-60.10000107.4V94 A95 T100V94-C98 WeakPolarHBondContact O-CB 3.48Å; V94-C98 PolarHBondContact O-N 2.78Å; A95-C98 CarbonylContact O-C 3.57Å; C98-T100 PolarHBondContact O-N 3.16Å; C98-T100 PolarHBondContact O-OG1 3.14Å
99G52.5Low59.1Low78 Ų78122.7 Ų122.780%0.80466%0.66SS**  trans-62.239.1-179.300000116.1Q97Q97-G99 PolarHBondContact O-N 2.71Å
100T48.7Very low57Low97 Ų97127.2 Ų127.260%0.59568%0.679SS**  trans-106.3109.8177.946.50000109.3C98 I102C98-T100 PolarHBondContact O-N 3.16Å; C98-T100 PolarHBondContact O-OG1 3.14Å; T100-I102 PolarHBondContact O-N 3.18Å
101S40.1Very low55.4Low111 Ų111130.2 Ų130.278%0.77669%0.691SS**  trans-48114.6163.8177.10000110.5
102I47.7Very low53.4Low144 Ų144131.2 Ų131.274%0.73870%0.696SS**  trans-113.9102.4167.7-56.7175.8000106.9T100 P104T100-I102 PolarHBondContact O-N 3.18Å; I102-P104 WeakPolarHBondContact O-CD 3.43Å
103V44.9Very low51.6Low110 Ų110132.7 Ų132.767%0.66771%0.709SS**PPolyproline II helixtrans-76.3119.7166176.20000107.5T105V103-T105 PolarHBondContact O-N 3.03Å
104P48.1Very low49.9Very low122 Ų122129.8 Ų129.879%0.79271%0.708SS**PPolyproline II helixtrans-78.8117.1170.3-7.825.7000108.9I102I102-P104 WeakPolarHBondContact O-CD 3.43Å
105T50.2Low48.2Very low131 Ų131137.7 Ų137.780%0.80473%0.732SS**PPolyproline II helixtrans-80.6130.3170.732.30000110V103V103-T105 PolarHBondContact O-N 3.03Å
106D38.1Very low46.7Very low156 Ų156141.8 Ų141.883%0.83474%0.74SS**PPolyproline II helixtrans-60.1129.5162.5-90.1-36.1000110.1
107R40.2Very low45.2Very low227 Ų227141.8 Ų141.886%0.85775%0.745SS**  trans172.2126131.3-98173.7173.9170.4-0.8113.7
108T39.5Very low43.7Very low111 Ų111137.6 Ų137.668%0.68174%0.739SS**  trans79.1119.8136.769.20000118.8
109K41.8Very low42.8Very low181 Ų181143.5 Ų143.579%0.78776%0.759SS**  158.3117.2100.4-78.7-176.6-171.7172.20110.9
110N37.6Very low42.1Very low137 Ų137145.6 Ų145.673%0.73376%0.756SS**  trans43.4124.5136.2-63.9-11.4000120.5
111K43.5Very low41.5Very low194 Ų194153 Ų15384%0.84377%0.774SS**  -170.8111.8110-97.8160.6-177.3-1750111.7
112F36.9Very low41.3Very low170 Ų170158 Ų15875%0.74678%0.775SS**  trans24.6128.6144.5-54.2-85.5000120.3
113I43Very low41.1Very low167 Ų167157 Ų15786%0.85678%0.781SS**  -157.6125.2115.2-88143.9000107.8
114T39.9Very low40.8Very low91 Ų91159.7 Ų159.756%0.55879%0.787SS**  trans-95.3136.5-178.1-58.90000109.5
115Y40.2Very low40.4Very low228 Ų228159 Ų15989%0.89479%0.785SS**  trans-149.7112140.8-86.6-72.2000110.8
116H41.2Very low39.8Very low150 Ų150159.6 Ų159.669%0.69478%0.783SS**  trans-28151.6152.8-87-94.3000115.5
117N41.2Very low39.7Very low135 Ų135160 Ų16072%0.72278%0.78SS**  cis-168.3136.747-101.1-29.5000109.7
118A39.8Very low39.6Very low79 Ų79156 Ų15665%0.65378%0.775SS**  76.2130.2100.600000113.9
119Q43.6Very low39.3Very low194 Ų194158 Ų15891%0.90778%0.781SS**  cis-157.3144.733.3-107.6146.527.700111.9
120T37.3Very low39.1Very low122 Ų122157.4 Ų157.475%0.74879%0.785SS**  trans-92.5143.6173-55.40000110.8R122T120-R122 HydrophobicContact CG2-CG 4.29Å
121R37.1Very low38.8Very low253 Ų253156.1 Ų156.196%0.95579%0.787SS**  trans-129.5119.5148.6-99-171.5176-154.4-0.5110.1
122R35.8Very low38.6Very low215 Ų215152.4 Ų152.481%0.81179%0.785SS**  trans-80.4146.7173.1-78.6173.4165.5175-4.6110.2T120T120-R122 HydrophobicContact CG2-CG 4.29Å
123S42.7Very low38.5Very low124 Ų124153.1 Ų153.187%0.86779%0.791SS**  trans-145.9124.5143.946.60000108.6
124Q38.4Very low38.3Very low166 Ų166151.5 Ų151.578%0.77679%0.789SS**  trans-96145177.3-68.9178.2-34.600110
125S39.6Very low38Very low109 Ų109152.2 Ų152.276%0.76279%0.793SS**  trans-176.3103.7144.5520000106.5
126N37.4Very low37.8Very low143 Ų143151.1 Ų151.177%0.76579%0.794SS**  75.5115.385.5-80.16.2000113.6
127E37.5Very low37.6Very low163 Ų163150.8 Ų150.876%0.76280%0.797SS**  trans121.8132.2136.3-54.8-137.4155.200118.5
128N37.6Very low37.3Very low143 Ų143151 Ų15177%0.76580%0.803SS**  trans9682154.3-57.9-29.4000119.8
129L34.1Very low37.1Very low154 Ų154151.9 Ų151.981%0.80681%0.805SS**  trans-34.4134.8136.4-101.367.4000113.1
130I36.6Very low36.7Very low169 Ų169150.2 Ų150.287%0.86780%0.802SS**  -153.7117.4126.1-89.4145.8000105.8
131S31.7Very low36.8Very low109 Ų109152.9 Ų152.976%0.76281%0.806SS**  trans-96.8140.7177.6-57.30000110.3
132S39.5Very low36.6Very low116 Ų116146.3 Ų146.381%0.81180%0.799SS**  trans-145.886.6156.147.30000109.1
133E35.2Very low36.7Very low186 Ų186143.5 Ų143.587%0.86980%0.799SS**  trans-99.1121.1165.2-85-176.6159.900109.2
134T37.3Very low36.2Very low133 Ų133143.3 Ų143.382%0.81679%0.793SS**  trans-89.1103.8171-18.10000108.7
135T33.4Very low36.3Very low106 Ų106144.8 Ų144.865%0.6580%0.797SS**  trans-80.1127.7169.945.10000111.2
136F37.3Very low36.3Very low205 Ų205145.7 Ų145.790%0.89980%0.798SS**  trans-110.2112.2155.3-88.2-78.7000109.6
137N36.4Very low36.5Very low142 Ų142143.3 Ų143.376%0.75980%0.798SS**  trans-79.4142.7176.2-76.8-35.6000111.2
138T34.7Very low36.7Very low139 Ų139140.9 Ų140.985%0.85380%0.796SS**  trans-143.6102.2149.7-49.50000108.3
139S36Very low36.9Very low98 Ų98140.7 Ų140.769%0.68579%0.794SS**  trans-85.7129.5176.272.30000110.6
140N34.4Very low37.3Very low159 Ų159142.2 Ų142.285%0.8579%0.794SS**  trans-88.8125.8157.2-73.4-50.2000108.5
141Q40Very low37.2Very low178 Ų178142.8 Ų142.883%0.83279%0.793SS**  trans-134.7117.9159-76.9-170.43800109.2
142S33.4Very low37.5Very low116 Ų116145.4 Ų145.481%0.81180%0.798SS**  trans-120.3124.9163.855.20000107.5
143L37.2Very low37.3Very low155 Ų155149.1 Ų149.181%0.81280%0.8SS**  trans-151.198.6170-98.6154.2000110
144T32.5Very low37.6Very low121 Ų121148 Ų14874%0.74280%0.795SS**  trans14.6137.5139.560.90000122.3
145K39.7Very low37.6Very low196 Ų196148 Ų14885%0.85279%0.79SS**  trans-172.9101.6134.3-101.9166.7-177-177.60110.5
146T40.1Very low37.6Very low128 Ų128152.3 Ų152.379%0.78580%0.802SS**  57.8102.3107.656.70000115.9
147A42Very low37.7Very low94 Ų94147.4 Ų147.478%0.77779%0.793SS**  102.9165.27900000112.2
148P41.9Very low37.7Very low111 Ų111148 Ų14872%0.72179%0.794SS**  cis-134.4-174.2-46.432.2-11.3000113
149I41.8Very low37.8Very low140 Ų140148.4 Ų148.472%0.71879%0.79SS**  trans148.1132.4134.4-73.1164.6000114.5
150K41.9Very low38Very low185 Ų185152.3 Ų152.380%0.80480%0.797SS**  trans92.999.8155.1-82.5160.1-161.4-175.20121.9
151H35.6Very low38.2Very low181 Ų181151.7 Ų151.784%0.83879%0.794SS**  trans-28.5138154.5-35.5-77000117.8
152N37.6Very low37.9Very low165 Ų165153 Ų15388%0.88280%0.797SS**  -156.7137121.3-140.5-11.9000112
153K36Very low37.9Very low193 Ų193152.7 Ų152.784%0.83979%0.794SS**  trans-88.8134.8-179.6-70.3169.1174.6172.70109.3
154H40.2Very low37.6Very low164 Ų164153.2 Ų153.276%0.75980%0.797SS**  176.1142.6119.2-124.428.1000113
155N37.8Very low37.9Very low133 Ų133153.9 Ų153.971%0.71180%0.801SS**  trans89.3108.9148-61.7-22.2000121.5
156H34.3Very low37.8Very low196 Ų196152 Ų15291%0.90780%0.8SS**  trans-54.1138159.8-77.1-81.3000114
157S38.1Very low37.5Very low102 Ų102153.5 Ų153.571%0.71380%0.803SS**  -165.5116.2129.263.70000111.9
158I36.7Very low37.3Very low154 Ų154156.8 Ų156.879%0.7981%0.807SS**  trans40.1103134.5-53.3164000116.4Q160I158-Q160 HydrophobicContact CG2-CG 4.35Å
159I36.4Very low37.1Very low147 Ų147159.6 Ų159.675%0.75481%0.808SS**  trans-105.1106.5161.5-64.2174000107.6N161I159-N161 WeakPolarHBondContact CG2-OD1 3.44Å
160Q39.8Very low37.1Very low180 Ų180160.9 Ų160.984%0.84182%0.815SS**  trans-89.6108.7157.8-73-173.1-6.200107.2I158 K162I158-Q160 HydrophobicContact CG2-CG 4.35Å; Q160-K162 PolarHBondContact O-N 3.14Å
161N38.7Very low36.9Very low146 Ų146157.4 Ų157.478%0.78181%0.805SS**  trans-74.5112.1173-75-24.2000109.6I159I159-N161 WeakPolarHBondContact CG2-OD1 3.44Å
162K33.8Very low37.1Very low206 Ų206156.7 Ų156.790%0.89681%0.807SS**  trans-135.193.2163-149.5170-172.6177.80106.8Q160Q160-K162 PolarHBondContact O-N 3.14Å
163C33.3Very low36.9Very low110 Ų110156 Ų15674%0.74380%0.804SS**  trans-85.6121.117532.10000109.2
164N32Very low36.9Very low166 Ų166155.7 Ų155.789%0.88881%0.805SS**  trans-143.3105.7152.6-91.3-11.2000104.9
165T38.8Very low36.5Very low134 Ų134157.3 Ų157.382%0.82281%0.806SS**  trans-107.5109.8170.827.80000108.4
166D36.8Very low36.2Very low157 Ų157156.6 Ų156.684%0.8481%0.806SS**  trans23.7134.3138.9-60.4-38.6000122
167L33.2Very low36.3Very low159 Ų159155.2 Ų155.283%0.83280%0.8SS**  trans-65.2144.7168.9-65.6151.3000112.5
168N39.7Very low35.9Very low163 Ų163155 Ų15587%0.87280%0.798SS**  trans-143.897.9144.6-80.9-39.3000105.9
169K36.3Very low35.9Very low170 Ų170155.3 Ų155.374%0.73980%0.802SS**  46.4102.397-84-163.4172.9-152.70114.3
170I42.4Very low35.6Very low167 Ų167155.9 Ų155.986%0.85681%0.806SS**  trans-133.9117.2143.1-63.8-178.3000106
171D38.3Very low35.3Very low113 Ų113155 Ų15560%0.60481%0.806SS**  trans-71.6146.4175.9-63.6-46.5000110.4
172N39Very low34.9Very low165 Ų165153.3 Ų153.388%0.88280%0.802SS**  trans-161.8107.5142.6-96-27.9000108.9
173D32.5Very low34.7Very low152 Ų152151.9 Ų151.981%0.81380%0.802SS**  trans-68.2135.9171.8-68-47.7000110.9
174Q36.6Very low34.5Very low185 Ų185151 Ų15186%0.86480%0.797SS**  -171.1127.9126.3-109.3168.2900113
175Y32.7Very low34.4Very low199 Ų199149.5 Ų149.578%0.7879%0.794SS**  trans80.785143.9-119.4-97.7000120.7
176V31.4Very low34.1Very low117 Ų117151 Ų15171%0.70979%0.792SS**  12.9116.2119-167.10000116.5
177Q35.5Very low33.8Very low167 Ų167149.7 Ų149.778%0.7879%0.79SS**  -168.8119.4114-102.6167.5-5.600111.3
178S30.8Very low34Very low97 Ų97148.1 Ų148.168%0.67878%0.782SS**  trans-40.3139.6160.346.60000113.3
179N36.3Very low33.7Very low162 Ų162147.7 Ų147.787%0.86678%0.78SS**  trans-152.6105.8140.6-87.1-28.5000109.3
180N29.9Very low33.7Very low158 Ų158146.6 Ų146.685%0.84578%0.782SS**  trans-69.8126.8158.6-71-34.2000107.3
181L33.6Very low33.7Very low161 Ų161146.8 Ų146.884%0.84379%0.785SS**  trans-142.5102.9158.2-132.879.4000109.8
182T30.4Very low33.9Very low112 Ų112147.2 Ų147.269%0.68780%0.797SS**  trans21111.1133.8-46.40000116.6S184T182-S184 PolarHBondContact O-N 2.85Å; T182-S184 VanDerWaalsContact O-N 3.08Å
183I28.9Very low34.1Very low175 Ų175148.3 Ų148.390%0.89779%0.79SS**  trans-66.3101.7165.3-65166.3000107.7
184S30.5Very low34.2Very low92 Ų92149.6 Ų149.664%0.64379%0.793SS**  trans-108.8127.6165.7-57.60000107.6T182 Q186T182-S184 PolarHBondContact O-N 2.85Å; T182-S184 VanDerWaalsContact O-N 3.08Å; S184-Q186 PolarHBondContact O-N 3.42Å
185T28.4Very low34.3Very low134 Ų134146.7 Ų146.782%0.82278%0.784SS**  trans-48.8121.6173.247.60000112.4
186Q33.5Very low34.5Very low166 Ų166145.6 Ų145.678%0.77679%0.786SS**  trans-157.9110155.3-107.1161.956.100108.4S184 N188S184-Q186 PolarHBondContact O-N 3.42Å; Q186-N188 PolarHBondContact O-N 3.01Å
187T30Very low34.8Very low129 Ų129145 Ų14579%0.79179%0.785SS**  trans-71110.9166.644.40000107.6
188N36.5Very low35Very low127 Ų127146.2 Ų146.268%0.67979%0.788SS**  trans-106.6102.2167.3-69.8-21.5000107.3Q186Q186-N188 PolarHBondContact O-N 3.01Å
189D33.5Very low35.3Very low154 Ų154150.5 Ų150.582%0.82480%0.797SS**  trans-77.7111.3160.7-66-52000107.1
190D37.9Very low35.5Very low146 Ų146154.4 Ų154.478%0.78180%0.8SS**  trans-121.888.4169.4-77.9-40.3000107.8
191D42.1Very low35.8Very low172 Ų172152.7 Ų152.792%0.9280%0.797SS**  trans-131.5101.2159.6-91.6-30000108.8
192S41.2Very low35.9Very low121 Ų121153 Ų15385%0.84680%0.798SS**  trans-81.7110.6169.71450000109.2
193Y44.8Very low36.7Very low189 Ų189153.7 Ų153.774%0.74180%0.802SS**  trans-159.3101.4145.6-164.4-99.5000109.5D195Y193-D195 HydrophobicContact CE1-CB 3.84Å; Y193-D195 PolarHBondContact OH-OD2 3.21Å
194M33.9Very low37Very low179 Ų179151 Ų15188%0.88280%0.796SS**  trans-81.9125166.1-74.8-74.8-169.200107.9
195D39.2Very low37.2Very low124 Ų124158.6 Ų158.666%0.66381%0.811SS**  trans-152.4130147-113.1-26.3000111.9Y193Y193-D195 HydrophobicContact CE1-CB 3.84Å; Y193-D195 PolarHBondContact OH-OD2 3.21Å
196E36.8Very low37.7Very low176 Ų176162.2 Ų162.282%0.82282%0.815SS**  trans-58.1138.4177.7-85.8171.6120.800112.9
197C37.1Very low37.7Very low103 Ų103159.7 Ų159.770%0.69682%0.816SS**  177.3121.3113.1-940000113.7
198K39.8Very low37.9Very low193 Ų193161.4 Ų161.484%0.83982%0.82SS**  trans75.896.7133.1-62.1179.1-175.41790118.8
199Q36.6Very low37.9Very low188 Ų188159.6 Ų159.688%0.87982%0.818SS**  trans-34.1132.3146-70.6150.7-1.800113.7
200R40.9Very low38.2Very low244 Ų244158.7 Ų158.792%0.92181%0.812SS**  trans-159.2144.8131.3-104.1166.3-161.5-112.83.7111.2
201P36.4Very low38.2Very low122 Ų122158.2 Ų158.279%0.79281%0.81SS**  trans-88.4148.7-162.5-2.122.7000113.2
202I35.6Very low37.8Very low167 Ų167156.1 Ų156.186%0.85680%0.803SS**  trans-65.4127.8172.6-63.5160.1000109.9
203T46.4Very low37.7Very low127 Ų127157.2 Ų157.278%0.77981%0.805SS**  trans-112.5140.9159.850.80000109.8
204P36.4Very low37.2Very low119 Ų119153.2 Ų153.277%0.77380%0.804SS**PPolyproline II helixtrans-85.2143.7-171.832.5-32.1000112.8
205R34.9Very low37.6Very low251 Ų251154.6 Ų154.695%0.94781%0.806SS**PPolyproline II helixtrans-47.1134.6172.2-87.2173.1162176.9-5.3113.4
206K37.5Very low37.5Very low210 Ų210154.3 Ų154.391%0.91381%0.808SS**PPolyproline II helixtrans-98.5123.4148.7-78.9-176.9176.5-179.90109.2
207S34.1Very low37.8Very low112 Ų112153.2 Ų153.278%0.78381%0.807SS**PPolyproline II helixtrans-74.1137.6164.146.10000110.2
208N35.6Very low38Very low165 Ų165156.5 Ų156.588%0.88281%0.812SS**  trans-140.3120.5149-117.21.2000108.7
209S35.5Very low38.1Very low90 Ų90155.3 Ų155.363%0.62981%0.809SS**  trans-63.9148.5165.653.50000109.7
210N38.8Very low38.4Very low134 Ų134152.2 Ų152.272%0.71781%0.805SS**  172.6133.7117.3-79.7-14.2000111.6
211N38.5Very low38.2Very low136 Ų136148.1 Ų148.173%0.72780%0.8SS**  trans75.688.4143.6-59.2-12000120.3
212V35.2Very low38.5Very low128 Ų128150.4 Ų150.478%0.77680%0.804SS**  26.4110112.9-173.20000116.4
213T38.6Very low39Very low145 Ų145148 Ų14889%0.8980%0.798SS**  trans-141.6125.4138.137.80000109.3
214S33.1Very low38.7Very low104 Ų104147.9 Ų147.973%0.72780%0.799SS**  trans-87.3133.9-175.723.60000111.3
215K43.7Very low39.1Very low209 Ų209149.9 Ų149.991%0.90980%0.801SS**  trans-137.1116.1155.2-76.8-171.7-179.8174.10111
216T36.9Very low39.7Very low117 Ų117145.8 Ų145.872%0.71879%0.793SS**  trans-43131.6173.2-52.80000115.6Q218T216-Q218 HydrophobicContact CG2-CG 4.13Å
217I42.6Very low39.9Very low153 Ų153142.1 Ų142.179%0.78579%0.789SS**  trans-130.4126.9148.7-62179.7000107.4
218Q41.6Very low40.6Very low172 Ų172142.7 Ų142.780%0.80478%0.783SS**  trans-79.8129.9-173.1-63.1171.4-1.100110.9T216T216-Q218 HydrophobicContact CG2-CG 4.13Å
219H40.7Very low41.3Very low169 Ų169144.1 Ų144.178%0.78278%0.781SS**  trans-123148.1159.3-75.9-69.7000109.1
220P44.2Very low42.1Very low122 Ų122149.2 Ų149.279%0.79279%0.792SS**  trans-78.3151.4-158.630.6-34000114.1
221I36.2Very low42.9Very low158 Ų158149.1 Ų149.181%0.8180%0.796SS**  trans-50.6123.8-173.6-62.6150.9000113.7
222L42.2Very low44.6Very low170 Ų170151 Ų15189%0.8980%0.801SS**  trans-118130.9148.4-70.7176.3000108.1
223T46.2Very low46.6Very low118 Ų118154.8 Ų154.872%0.72480%0.803SS**PPolyproline II helixtrans-60.3145.9-172.744.70000113.6
224P40.8Very low48.5Very low124 Ų124154.9 Ų154.981%0.80580%0.797SS**PPolyproline II helixtrans-78.5128.6-173.131-31.7000111.9Q226P224-Q226 PolarHBondContact O-N 2.78Å
225I43.7Very low50.8Low160 Ų160160 Ų16082%0.82180%0.8SS**PPolyproline II helixtrans-74.3121.6167.1-65.5169.7000107.7T227I225-T227 PolarHBondContact O-N 3.14Å
226Q48Very low52.4Low165 Ų165154 Ų15477%0.77179%0.79SS**  trans-60.7112.7176.9-71.5177.8-7.800110.7P224 N228P224-Q226 PolarHBondContact O-N 2.78Å; Q226-N228 PolarHBondContact O-N 3.49Å
227T41.2Very low54.2Low134 Ų134155.5 Ų155.582%0.82279%0.788SS**  trans-85.498.1163.355.10000108.3I225I225-T227 PolarHBondContact O-N 3.14Å
228N48.9Very low55.5Low124 Ų124151.5 Ų151.566%0.66377%0.774SS**  trans-122.6131.6172.2-86.4-28.7000109.9Q226Q226-N228 PolarHBondContact O-N 3.49Å
229K51.4Low56.7Low194 Ų194149.7 Ų149.784%0.84377%0.77SS**  trans93.3102.2162.3-56.9177.6-174.7-179.20116.7
230K51.7Low58Low198 Ų198149.5 Ų149.586%0.86176%0.764SS**SBendtrans-41.5137.5159-65.3164175.7177.50111.5
231T56.3Low58.9Low131 Ų131149.7 Ų149.780%0.80476%0.762SS**  trans54.372.4160.459.60000115.8
232E74.1Confident60.1Low176 Ų176147.9 Ų147.982%0.82275%0.754SS**  trans-113.2113.4162.6-161.1167.8-16100108.1
233Y76Confident60.6Low208 Ų208146.3 Ų146.382%0.81675%0.747SS**PPolyproline II helixtrans-73.912717712.7-94.1000108.9R235Y233-R235 PolarHBondContact O-N 3.48Å
234L79.8Confident61Low147 Ų147147.7 Ų147.777%0.7775%0.75SS**PPolyproline II helixtrans-56.9120.9178.9-70.5168.4000110.7
235R79.9Confident61.2Low211 Ų211148 Ų14880%0.79675%0.749SS**PPolyproline II helixtrans-89.8148.3172.9-160.8174.3-177.5-156.3-0.2110Y233 H237 S238Y233-R235 PolarHBondContact O-N 3.48Å; R235-H237 PolarHBondContact O-N 2.83Å; R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 2.96Å; R235-S238 PolarHBondContact O-OG 3.2Å
236A78.5Confident61.6Low84 Ų84145.8 Ų145.869%0.69474%0.739SS**THydrogen-bonded Turntrans-53.1130.4170.400000109.7
237H73.1Confident62Low147 Ų147144.4 Ų144.468%0.68174%0.736SS**THydrogen-bonded Turntrans73.58.3-174.5-47.6-79.3000117.7R235 N239 Y240R235-H237 PolarHBondContact O-N 2.83Å; H237-N239 PolarHBondContact O-N 3.32Å; H237-Y240 AromaticContact ND1-CD2 3.82Å; H237-Y240 WeakPolarHBondContact O-CB 3.27Å; H237-Y240 PolarHBondContact O-N 3.35Å
238S70.8Confident62.8Low70 Ų70146.1 Ų146.149%0.4973%0.732SS.*THydrogen-bonded Turntrans-60.1-26.7174.749.20000114.4R235R235-S238 WeakPolarHBondContact O-CB 3.46Å; R235-S238 PolarHBondContact O-N 2.96Å; R235-S238 PolarHBondContact O-OG 3.2Å
239N67.5Low63.2Low134 Ų134149.9 Ų149.972%0.71774%0.739SS**THydrogen-bonded Turntrans-104.812.3175.9-60.4-20.3000112.8H237 V241H237-N239 PolarHBondContact O-N 3.32Å; N239-V241 PolarHBondContact O-N 2.85Å; N239-V241 VanDerWaalsContact O-N 3.14Å
240Y67.5Low63.3Low164 Ų164148.2 Ų148.264%0.64374%0.738SS**  trans-75.8107.5177.8-142.8-98.8000107.9H237 D242H237-Y240 AromaticContact ND1-CD2 3.82Å; H237-Y240 WeakPolarHBondContact O-CB 3.27Å; H237-Y240 PolarHBondContact O-N 3.35Å; Y240-D242 PolarHBondContact O-N 3.49Å
241V63.1Low63.6Low126 Ų126141.1 Ų141.176%0.76471%0.714SS**  trans-70.599.2169.9179.40000106N239 N243N239-V241 PolarHBondContact O-N 2.85Å; N239-V241 VanDerWaalsContact O-N 3.14Å; V241-N243 PolarHBondContact O-N 2.86Å
242D60.4Low63.8Low121 Ų121143.3 Ų143.365%0.64772%0.72SS**  trans-60.3134.1165.5-78.3-28.1000108.3Y240Y240-D242 PolarHBondContact O-N 3.49Å
243N54.7Low63.3Low136 Ų136140.6 Ų140.673%0.72771%0.71SS**SBendtrans93.5109.5170.6-42.1-55.3000115.9V241V241-N243 PolarHBondContact O-N 2.86Å
244D52.8Low62.4Low147 Ų147136.6 Ų136.679%0.78671%0.71SS**  trans62.482.8141.9-55.8-22.4000117.9D246D244-D246 PolarHBondContact O-N 3.37Å; D244-D246 VanDerWaalsContact O-N 3.14Å
245V46.6Very low61.4Low132 Ų132135.4 Ų135.480%0.870%0.703SS**  trans18.286.1137-166.40000115.3
246D52.2Low60.5Low113 Ų113131.1 Ų131.160%0.60470%0.7SS**  trans-124.394.9153.1-121.8-11.9000108.1D244 K248D244-D246 PolarHBondContact O-N 3.37Å; D244-D246 VanDerWaalsContact O-N 3.14Å; D246-K248 PolarHBondContact O-N 2.82Å
247L56.2Low59.7Low136 Ų136131.9 Ų131.971%0.71270%0.701SS**THydrogen-bonded Turntrans-61.99.4-178.9-131.276.5000113.9
248K56.4Low59.3Low170 Ų170131.4 Ų131.474%0.73970%0.702SS**THydrogen-bonded Turntrans-82.8-16.3-174.9-86.5178.4174.4179.10114.9D246D246-K248 PolarHBondContact O-N 2.82Å
249Y58Low59.1Low203 Ų203136.6 Ų136.680%0.79672%0.718SS**SBendtrans-100.83.1-170.9-74.8-82.7000115.3
250L54.6Low58.9Low158 Ų158138.6 Ų138.683%0.82772%0.72SS**SBendtrans-103.57.9-172.1-71.3174000116.1
251S56.3Low58.7Low50 Ų50137.4 Ų137.435%0.3572%0.72SS.*  trans-157.2141.9169.460.20000112.9I253S251-I253 PolarHBondContact O-N 3.42Å
252N60.2Low58.6Low176 Ų176138 Ų13894%0.94172%0.718SS**SBendtrans-72.323.5169.6-66.1-16.6000112.4
253I65.5Low58.6Low120 Ų120137.5 Ų137.562%0.61572%0.716SS**SBendtrans-116.2119.4-178.4-55.4169.8000106.2S251 I255S251-I253 PolarHBondContact O-N 3.42Å; I253-I255 PolarHBondContact O-N 3.45Å
254P55.6Low59.1Low124 Ų124135.9 Ų135.981%0.80572%0.715SS**  trans-66.3101.2177.426.1-31.3000109.4T256P254-T256 PolarHBondContact O-N 2.85Å
255I58.4Low59.6Low122 Ų122133.3 Ų133.363%0.62671%0.714SS**  trans-74.9115.5170.2-57.6171.7000106.8I253 S257I253-I255 PolarHBondContact O-N 3.45Å; I255-S257 PolarHBondContact O-N 3.19Å
256T61.8Low60.3Low121 Ų121136.4 Ų136.474%0.74272%0.717SS**  trans-62.6133.6173.146.40000109.9P254 I258P254-T256 PolarHBondContact O-N 2.85Å; T256-I258 PolarHBondContact O-N 3.35Å; T256-I258 VanDerWaalsContact O-N 3.12Å
257S61.9Low60.8Low100 Ų100138 Ų13870%0.69973%0.725SS**  trans-56.1117.2176.21710000110I255 Q259I255-S257 PolarHBondContact O-N 3.19Å; S257-Q259 PolarHBondContact O-N 2.86Å
258I65Low61.6Low137 Ų137136.6 Ų136.670%0.70373%0.726SS**  trans-72.496.6167.8-57.1171.9000106.5T256 K260T256-I258 PolarHBondContact O-N 3.35Å; T256-I258 VanDerWaalsContact O-N 3.12Å; I258-K260 VanDerWaalsContact C-N 3.28Å; I258-K260 HydrophobicContact CG2-CG 4.04Å; I258-K260 PolarHBondContact O-N 2.97Å
259Q65.8Low62.5Low178 Ų178134.9 Ų134.983%0.83273%0.73SS**  trans-68.889.5169.7-67.3-167.4-9.800108.9S257 H261S257-Q259 PolarHBondContact O-N 2.86Å; Q259-H261 VanDerWaalsContact C-N 3.35Å; Q259-H261 PolarHBondContact O-N 3.18Å
260K63.8Low63.3Low177 Ų177129.4 Ų129.477%0.7772%0.719SS**  trans-7294.1165.2-67.1-176.6-176.8176.40107.5I258 L262I258-K260 VanDerWaalsContact C-N 3.28Å; I258-K260 HydrophobicContact CG2-CG 4.04Å; I258-K260 PolarHBondContact O-N 2.97Å; K260-L262 PolarHBondContact O-N 2.91Å
261H63.8Low64.4Low138 Ų138129.8 Ų129.864%0.63971%0.714SS**  trans-61.9108.4162.8136.2-97.2000107.2Q259 N263Q259-H261 VanDerWaalsContact C-N 3.35Å; Q259-H261 PolarHBondContact O-N 3.18Å; H261-N263 PolarHBondContact CE1-OD1 3.49Å; H261-N263 PolarHBondContact NE2-OD1 3.28Å; H261-N263 PolarHBondContact O-N 2.89Å; H261-N263 VanDerWaalsContact O-N 3.16Å
262L61.3Low65.2Low139 Ų139132 Ų13273%0.72874%0.735SS**  trans-63.8112.8163.4-90.5122000106.2K260 S264K260-L262 PolarHBondContact O-N 2.91Å; L262-S264 PolarHBondContact O-N 2.89Å
263N59.8Low65.9Low111 Ų111130.3 Ų130.359%0.59472%0.722SS**  trans-59.587.2164.1-82.7-65.8000108.1H261 A265H261-N263 PolarHBondContact CE1-OD1 3.49Å; H261-N263 PolarHBondContact NE2-OD1 3.28Å; H261-N263 PolarHBondContact O-N 2.89Å; H261-N263 VanDerWaalsContact O-N 3.16Å; N263-A265 PolarHBondContact O-N 3.46Å
264S64.1Low66.2Low102 Ų102128.5 Ų128.571%0.71372%0.72SS**G310 helixtrans-67.6-13178.652.20000112.5L262 K266L262-S264 PolarHBondContact O-N 2.89Å; S264-K266 PolarHBondContact O-N 2.8Å; S264-K266 VanDerWaalsContact O-N 3.1Å
265A63.6Low66.7Low93 Ų93125.5 Ų125.577%0.76971%0.706SS**G310 helixtrans-71.1-1.1-173.500000116.2N263N263-A265 PolarHBondContact O-N 3.46Å
266K62.2Low67Low196 Ų196128.7 Ų128.785%0.85272%0.715SS**G310 helixtrans-131.18.3-176.6-72.5-174178.61790115.9S264S264-K266 PolarHBondContact O-N 2.8Å; S264-K266 VanDerWaalsContact O-N 3.1Å
267L62.7Low67.2Low146 Ų146130.4 Ų130.476%0.76472%0.72SS**  trans-119.169-177.3-65.7169.4000110.7
268S73.5Confident67.2Low107 Ų107130 Ų13075%0.74871%0.713SS**  trans-130.2101.3164.2166.30000107.2
269V75.6Confident67.2Low135 Ų135131.8 Ų131.882%0.81872%0.718SS**PPolyproline II helixtrans-57.9126.4165.81800000106.8
270P74.9Confident67Low88 Ų88130.4 Ų130.457%0.57171%0.709SS**PPolyproline II helixtrans-59.9142.7176.724.8-32.4000109.8A272P270-A272 PolarHBondContact O-N 2.8Å
271K77.4Confident66.8Low166 Ų166128 Ų12872%0.72270%0.704SS**PPolyproline II helixtrans-52.1136.9174.4-103.9-179.3174.1-174.70109.6E273 S274K271-E273 PolarHBondContact O-N 2.91Å; K271-S274 PolarHBondContact O-N 3.34Å; K271-S274 PolarHBondContact O-OG 3.23Å
272A72.2Confident66.6Low95 Ų95130.1 Ų130.179%0.78571%0.706SS**G310 helixtrans-52.9-24-177.100000114.3P270 S274 A275P270-A272 PolarHBondContact O-N 2.8Å; A272-S274 VanDerWaalsContact C-N 3.27Å; A272-S274 PolarHBondContact O-N 3.15Å; A272-A275 PolarHBondContact O-N 3.46Å
273E74.8Confident66.9Low142 Ų142132.1 Ų132.166%0.66470%0.704SS**G310 helixtrans-66.5-22.6177.4-64.6171-167.100114K271 A275 K276K271-E273 PolarHBondContact O-N 2.91Å; E273-A275 PolarHBondContact O-N 2.8Å; E273-A275 VanDerWaalsContact O-N 3.15Å; E273-K276 PolarHBondContact O-N 2.86Å
274S71.3Confident67.6Low81 Ų81134.6 Ų134.657%0.56672%0.717SS**G310 helixtrans-68.5-11.7178.8750000113.4K271 A272 K276K271-S274 PolarHBondContact O-N 3.34Å; K271-S274 PolarHBondContact O-OG 3.23Å; A272-S274 VanDerWaalsContact C-N 3.27Å; A272-S274 PolarHBondContact O-N 3.15Å; S274-K276 VanDerWaalsContact C-N 3.34Å
275A67.4Low68.1Low62 Ų62134.2 Ų134.251%0.51271%0.706SS.*G310 helixtrans-80.9-7.2179.800000114.2A272 E273 N277 V278A272-A275 PolarHBondContact O-N 3.46Å; E273-A275 PolarHBondContact O-N 2.8Å; E273-A275 VanDerWaalsContact O-N 3.15Å; A275-N277 PolarHBondContact O-N 3.46Å; A275-V278 PolarHBondContact O-N 3.27Å
276K64.1Low69.1Low189 Ų189133.3 Ų133.382%0.82269%0.688SS**G310 helixtrans-67.2-18.7-174.9-79.8-175.6175.9179.50114.9E273 S274E273-K276 PolarHBondContact O-N 2.86Å; S274-K276 VanDerWaalsContact C-N 3.34Å
277N66.2Low70.2Confident157 Ų157131 Ų13184%0.8468%0.678SS**G310 helixtrans-116.634.3179.1-101.710000113.2A275 E279A275-N277 PolarHBondContact O-N 3.46Å; N277-E279 VanDerWaalsContact C-N 3.3Å; N277-E279 PolarHBondContact O-N 3.48Å
278V61Low71.4Confident92 Ų92129.5 Ų129.556%0.55868%0.676SS**  trans-76.889.5167.6-176.90000107.6A275 F280A275-V278 PolarHBondContact O-N 3.27Å; V278-F280 PolarHBondContact O-N 3.4Å
279E65.8Low72.1Confident173 Ų173132.8 Ų132.881%0.80867%0.671SS**  trans-55.6111.6157.2-74.2-172174.900106.2N277 I281N277-E279 VanDerWaalsContact C-N 3.3Å; N277-E279 PolarHBondContact O-N 3.48Å; E279-I281 PolarHBondContact O-N 2.97Å
280F60.6Low72.6Confident149 Ų149128.2 Ų128.265%0.65465%0.648SS**  trans-57.4108.7169.1-75.5-77.1000106V278 R282V278-F280 PolarHBondContact O-N 3.4Å; F280-R282 HydrophobicContact CB-CB 4.36Å; F280-R282 HydrophobicContact CB-CG 3.94Å; F280-R282 PolarHBondContact O-N 3.35Å
281I60.2Low73.1Confident127 Ų127129.1 Ų129.165%0.65165%0.648SS**  trans-69.155.1160.9-53.4169.4000106.7E279 R283E279-I281 PolarHBondContact O-N 2.97Å; I281-R283 HydrophobicContact CG2-CG 3.67Å; I281-R283 VanDerWaalsContact CG2-CZ 3.5Å; I281-R283 PolarHBondContact O-N 3.44Å
282R59.1Low73.5Confident182 Ų182123.7 Ų123.769%0.68763%0.634SS**  trans-74.673.9156.4-76.4172.4-165.7-173.26104.2F280 D284F280-R282 HydrophobicContact CB-CB 4.36Å; F280-R282 HydrophobicContact CB-CG 3.94Å; F280-R282 PolarHBondContact O-N 3.35Å; R282-D284 PolarHBondContact O-N 2.93Å
283R67.4Low74Confident181 Ų181125.4 Ų125.468%0.68363%0.626SS**  trans-54.9128.2151.1-54179.9-170.6118.1-0103.4I281 I285I281-R283 HydrophobicContact CG2-CG 3.67Å; I281-R283 VanDerWaalsContact CG2-CZ 3.5Å; I281-R283 PolarHBondContact O-N 3.44Å; R283-I285 HydrophobicContact CB-CG1 4.14Å; R283-I285 PolarHBondContact O-N 3.04Å
284D74.5Confident74.3Confident164 Ų164126 Ų12688%0.87763%0.63SS**  trans-65.272.6176.2-65.4-40.5000109R282 N286R282-D284 PolarHBondContact O-N 2.93Å; D284-N286 PolarHBondContact O-N 2.9Å
285I76.3Confident74.6Confident93 Ų93126.3 Ų126.348%0.47764%0.637SS.*  trans-72.8105.3176.5-61.6171.4000104.8R283 F287 A290R283-I285 HydrophobicContact CB-CG1 4.14Å; R283-I285 PolarHBondContact O-N 3.04Å; I285-F287 VanDerWaalsContact C-N 3.3Å; I285-F287 HydrophobicContact CG2-CD1 4.4Å; I285-F287 HydrophobicContact CG2-CE1 4.48Å; I285-F287 WeakPolarHBondContact O-CD2 3.46Å; I285-F287 PolarHBondContact O-N 3Å; I285-A290 HydrophobicContact CG2-CB 4.19Å
286N84.6Confident75.2Confident74 Ų74128.5 Ų128.540%0.39665%0.645SS.*  trans-66.794.9168.2-175.6-39.3000108.1D284 V288 R289 A290D284-N286 PolarHBondContact O-N 2.9Å; N286-V288 PolarHBondContact O-N 3.35Å; N286-V288 WeakPolarHBondContact OD1-CB 3.5Å; N286-V288 PolarHBondContact OD1-N 2.93Å; N286-R289 HydrophobicContact CB-CB 4.02Å; N286-R289 WeakPolarHBondContact O-CB 3.24Å; N286-R289 PolarHBondContact O-N 2.87Å; N286-R289 PolarHBondContact OD1-N 3.04Å; N286-A290 PolarHBondContact O-N 3.11Å
287F85.1Confident75.5Confident147 Ų147121.6 Ų121.665%0.64562%0.623SS**Hα-helixtrans-56.5-33.4-177.9-64.6-77.4000112.5I285 A290 N291I285-F287 VanDerWaalsContact C-N 3.3Å; I285-F287 HydrophobicContact CG2-CD1 4.4Å; I285-F287 HydrophobicContact CG2-CE1 4.48Å; I285-F287 WeakPolarHBondContact O-CD2 3.46Å; I285-F287 PolarHBondContact O-N 3Å; F287-A290 PolarHBondContact O-N 3.44Å; F287-N291 WeakPolarHBondContact O-CB 3.27Å; F287-N291 PolarHBondContact O-N 2.94Å; F287-N291 PolarHBondContact O-ND2 3.01Å
288V87Confident75.5Confident116 Ų116119.2 Ų119.270%0.70362%0.616SS**Hα-helixtrans-62-46.7176.1-176.20000110.2N286 A292N286-V288 PolarHBondContact O-N 3.35Å; N286-V288 WeakPolarHBondContact OD1-CB 3.5Å; N286-V288 PolarHBondContact OD1-N 2.93Å; V288-A292 WeakPolarHBondContact O-CB 3.48Å; V288-A292 PolarHBondContact O-N 3.12Å
289R89.1Confident75.4Confident175 Ų175119.6 Ų119.666%0.6662%0.623SS**Hα-helixtrans-66.9-43.4177.7-165.4-176.2-44-144.80.6112.4N286 A292 H293N286-R289 HydrophobicContact CB-CB 4.02Å; N286-R289 WeakPolarHBondContact O-CB 3.24Å; N286-R289 PolarHBondContact O-N 2.87Å; N286-R289 PolarHBondContact OD1-N 3.04Å; R289-A292 PolarHBondContact O-N 3.47Å; R289-H293 WeakPolarHBondContact O-CB 3.47Å; R289-H293 PolarHBondContact O-N 2.97Å
290A84.7Confident74.9Confident39 Ų39116.8 Ų116.832%0.32262%0.617SS.*Hα-helixtrans-63.1-41.9178.100000111.7I285 N286 F287 H293 M294I285-A290 HydrophobicContact CG2-CB 4.19Å; N286-A290 PolarHBondContact O-N 3.11Å; F287-A290 PolarHBondContact O-N 3.44Å; A290-H293 PolarHBondContact O-N 3.21Å; A290-M294 VanDerWaalsContact O-CG 3.26Å; A290-M294 WeakPolarHBondContact O-CG 3.05Å; A290-M294 PolarHBondContact O-N 2.89Å
291N86.1Confident74.6Confident107 Ų107118.2 Ų118.257%0.57262%0.623SS**Hα-helixtrans-69.1-42.2177.6-69.8-12.3000111.8F287 H293 M294 A295F287-N291 WeakPolarHBondContact O-CB 3.27Å; F287-N291 PolarHBondContact O-N 2.94Å; F287-N291 PolarHBondContact O-ND2 3.01Å; N291-H293 VanDerWaalsContact C-N 3.3Å; N291-H293 PolarHBondContact O-N 2.67Å; N291-M294 PolarHBondContact O-N 3.05Å; N291-A295 WeakPolarHBondContact O-CB 3.25Å; N291-A295 PolarHBondContact O-N 2.88Å
292A86.3Confident74.1Confident52 Ų52121 Ų12143%0.4363%0.625SS.*Hα-helixtrans-57.8-45.1172.700000111.1V288 R289 M294 A295 T296V288-A292 WeakPolarHBondContact O-CB 3.48Å; V288-A292 PolarHBondContact O-N 3.12Å; R289-A292 PolarHBondContact O-N 3.47Å; A292-M294 PolarHBondContact O-N 3.12Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A295 VanDerWaalsContact O-N 3.16Å; A292-T296 WeakPolarHBondContact O-CG2 3.44Å; A292-T296 PolarHBondContact O-N 2.97Å; A292-T296 PolarHBondContact O-OG1 3.37Å
293H83.3Confident73.7Confident132 Ų132118.7 Ų118.761%0.61163%0.632SS**Hα-helixtrans-65.9-35.2178.2-145.9-61.4000112.8R289 A290 N291 A295 A297R289-H293 WeakPolarHBondContact O-CB 3.47Å; R289-H293 PolarHBondContact O-N 2.97Å; A290-H293 PolarHBondContact O-N 3.21Å; N291-H293 VanDerWaalsContact C-N 3.3Å; N291-H293 PolarHBondContact O-N 2.67Å; H293-A295 VanDerWaalsContact C-N 3.33Å; H293-A297 WeakPolarHBondContact O-CB 3.49Å; H293-A297 PolarHBondContact O-N 3.31Å
294M80Confident73.1Confident154 Ų154113.6 Ų113.676%0.75964%0.635SS**Hα-helixtrans-69-30.3173.2-71.7-104.776.700112.7A290 N291 A292A290-M294 VanDerWaalsContact O-CG 3.26Å; A290-M294 WeakPolarHBondContact O-CG 3.05Å; A290-M294 PolarHBondContact O-N 2.89Å; N291-M294 PolarHBondContact O-N 3.05Å; A292-M294 PolarHBondContact O-N 3.12Å
295A78.1Confident72Confident87 Ų87111.9 Ų111.972%0.71963%0.625SS**Hα-helixtrans-80.5-35.4178.200000112.9N291 A292 H293N291-A295 WeakPolarHBondContact O-CB 3.25Å; N291-A295 PolarHBondContact O-N 2.88Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-A295 VanDerWaalsContact O-N 3.16Å; H293-A295 VanDerWaalsContact C-N 3.33Å
296T78.9Confident70.9Confident109 Ų109116.3 Ų116.367%0.66964%0.635SS**Hα-helixtrans-93.7-17.8-177.8600000113.9A292A292-T296 WeakPolarHBondContact O-CG2 3.44Å; A292-T296 PolarHBondContact O-N 2.97Å; A292-T296 PolarHBondContact O-OG1 3.37Å
297A71.1Confident69.3Low44 Ų44124.3 Ų124.336%0.36466%0.66SS.*SBendtrans-58.9125.7176.300000110.2H293 S299H293-A297 WeakPolarHBondContact O-CB 3.49Å; H293-A297 PolarHBondContact O-N 3.31Å; A297-S299 PolarHBondContact O-N 3.46Å
298P66.4Low68Low106 Ų106125.1 Ų125.169%0.68867%0.669SS**  trans-57.1137.517522-29.5000108.3V300P298-V300 HydrophobicContact CG-CG2 4.48Å; P298-V300 PolarHBondContact O-N 3.36Å
299S58.1Low66.4Low101 Ų101123 Ų12371%0.70667%0.665SS**  trans-63.569.2-177.5169.30000111.7A297 K301A297-S299 PolarHBondContact O-N 3.46Å; S299-K301 PolarHBondContact O-N 2.92Å
300V55.5Low64.7Low114 Ų114118.7 Ų118.769%0.69166%0.661SS**SBendtrans-81.197.8170.41800000105.2P298P298-V300 HydrophobicContact CG-CG2 4.48Å; P298-V300 PolarHBondContact O-N 3.36Å
301K54Low63.4Low178 Ų178124.7 Ų124.777%0.77469%0.685SS**  trans8539.5169-49.5174.6-174.3-177.20118.5S299 T303S299-K301 PolarHBondContact O-N 2.92Å; K301-T303 PolarHBondContact O-N 3.22Å; K301-T303 VanDerWaalsContact O-N 3.14Å
302R50.1Low62Low186 Ų186126.3 Ų126.370%0.70269%0.693SS**  trans-80.466.2143.5-85-172.5162.3155.9-2.7110.1G304R302-G304 VanDerWaalsContact C-N 3.34Å; R302-G304 PolarHBondContact O-N 2.82Å
303T51.1Low60.4Low134 Ų134127.9 Ų127.982%0.82270%0.701SS**  trans-63.597.6158.346.20000107.5K301K301-T303 PolarHBondContact O-N 3.22Å; K301-T303 VanDerWaalsContact O-N 3.14Å
304G54.6Low58.9Low73 Ų73129 Ų12975%0.75371%0.711SS**SBendtrans132.3-15.2163.500000117.6R302R302-G304 VanDerWaalsContact C-N 3.34Å; R302-G304 PolarHBondContact O-N 2.82Å
305I52.1Low57.5Low128 Ų128126.5 Ų126.566%0.65671%0.708SS**  trans-112.377.8177.7-52.7171.9000108.2R307I305-R307 PolarHBondContact O-N 2.9Å
306R52.5Low56.2Low186 Ų186126.6 Ų126.670%0.70270%0.704SS**PPolyproline II helixtrans-65.8125.3165.5-78.6-174.1173.2-161.70.9107.5I308 H334R306-I308 PolarHBondContact O-N 2.85Å; R306-I308 VanDerWaalsContact O-N 3.14Å; R306-H334 VanDerWaalsContact CZ-CE1 3.44Å; R306-H334 PolarHBondContact NH1-CE1 3.26Å; R306-H334 PolarHBondContact NH1-NE2 3.27Å
307R51.7Low54.9Low242 Ų242129 Ų12991%0.91371%0.713SS**PPolyproline II helixtrans-49.6122.1162.3-84.4-174.5-91.2153.2-7.4107.4I305 A309I305-R307 PolarHBondContact O-N 2.9Å; R307-A309 PolarHBondContact O-N 2.84Å
308I56.7Low54Low164 Ų164133.8 Ų133.884%0.84173%0.732SS**PPolyproline II helixtrans-57.5122.8174-53.4164.5000105.3R306 S310R306-I308 PolarHBondContact O-N 2.85Å; R306-I308 VanDerWaalsContact O-N 3.14Å; I308-S310 PolarHBondContact O-N 2.99Å
309A54.2Low53Low73 Ų73139.2 Ų139.260%0.60375%0.745SS**  trans-56.7110.8175.700000107.6R307 M311R307-A309 PolarHBondContact O-N 2.84Å; A309-M311 PolarHBondContact O-N 2.94Å
310S54.1Low52.5Low84 Ų84140 Ų14059%0.58775%0.745SS**  trans-54138.916851.20000107.9I308 N312 S313I308-S310 PolarHBondContact O-N 2.99Å; S310-N312 PolarHBondContact O-N 3.16Å; S310-S313 PolarHBondContact O-N 3.4Å
311M57.3Low52Low165 Ų165142.5 Ų142.581%0.81375%0.749SS**G310 helixtrans-51.1-5.8-171.8-68.6-175.460.500116.6A309A309-M311 PolarHBondContact O-N 2.94Å
312N56Low51.4Low140 Ų140142.5 Ų142.575%0.74976%0.757SS**G310 helixtrans-88.9-2.7-174.7-61.48.3000114.2S310S310-N312 PolarHBondContact O-N 3.16Å
313S53.7Low51.4Low85 Ų85138.6 Ų138.659%0.59475%0.753SS**G310 helixtrans-9514.2177.968.30000114.7S310S310-S313 PolarHBondContact O-N 3.4Å
314L51.8Low51.1Low156 Ų156139.9 Ų139.982%0.81776%0.755SS**SBendtrans-99.81.2-179-75.6162.8000113.9
315S50.5Low51Low101 Ų101141.2 Ų141.271%0.70675%0.753SS**SBendtrans-96.43.6-170.7680000115.9
316S49.1Very low50.8Low90 Ų90141.8 Ų141.863%0.62976%0.758SS**  trans-140.393.5-176.6-54.10000108.8
317N52.4Low50.8Low160 Ų160140.2 Ų140.286%0.85676%0.762SS**  trans-17685.1147.7-83.7-22000109.5
318N51.6Low50.7Low143 Ų143132 Ų13277%0.76574%0.742SS**  trans26101.6138.5-63.4-21.1000117.3T320N318-T320 VanDerWaalsContact C-N 3.35Å; N318-T320 PolarHBondContact O-N 3.41Å
319K45.1Very low50.6Low221 Ų221133.8 Ų133.896%0.96174%0.743SS**  trans-55.293.8152-79.1170.8171.2172.30109.3
320T48.6Very low50.6Low117 Ų117134 Ų13472%0.71874%0.74SS**  trans-135.1110.916552.60000109.5N318N318-T320 VanDerWaalsContact C-N 3.35Å; N318-T320 PolarHBondContact O-N 3.41Å
321H45.2Very low50.7Low167 Ų167137.6 Ų137.677%0.77375%0.747SS**  trans67.193.9153.7-145-99.9000117.9T323H321-T323 PolarHBondContact O-N 2.98Å
322L41.4Very low50.5Low177 Ų177133.4 Ų133.493%0.92773%0.728SS**  trans-70.8100.2167.4-68.5148.5000108.9
323T49.9Very low50.3Low104 Ų104128.3 Ų128.364%0.63870%0.703SS**  trans-124123.2155.147.90000108.3H321 S325H321-T323 PolarHBondContact O-N 2.98Å; T323-S325 PolarHBondContact O-N 2.84Å
324D44.3Very low50.2Low161 Ų161128.4 Ų128.486%0.86169%0.694SS**THydrogen-bonded Turntrans-57.5127-178.2-59.7-55.9000111.1
325S52.6Low50.2Low101 Ų101126.4 Ų126.471%0.70669%0.688SS**THydrogen-bonded Turntrans159.1-17.8148.9470000114.2T323T323-S325 PolarHBondContact O-N 2.84Å
326N48.8Very low50.3Low140 Ų140123.3 Ų123.375%0.74967%0.667SS**  trans-128.358.3-170.1-68.7-53.3000113.2S328N326-S328 PolarHBondContact O-N 2.7Å
327I51.7Low50.5Low154 Ų154127 Ų12779%0.7967%0.667SS**  trans-70.286.5161.9-62.6173.4000107.5K329I327-K329 PolarHBondContact O-N 2.79Å
328S49.6Very low50.7Low70 Ų70126.9 Ų126.949%0.4966%0.663SS.*  trans-10.5106.7164.3-69.30000115N326 S330 Q331N326-S328 PolarHBondContact O-N 2.7Å; S328-S330 WeakPolarHBondContact CB-OG 3.49Å; S328-S330 PolarHBondContact O-N 3.37Å; S328-Q331 PolarHBondContact O-N 3.11Å; S328-Q331 VanDerWaalsContact O-N 3.11Å
329K54.9Low50.6Low200 Ų200128 Ų12887%0.8766%0.657SS**THydrogen-bonded Turntrans-46.2-14.6166.6-76.8170.6177.5167.40114.4I327I327-K329 PolarHBondContact O-N 2.79Å
330S55Low51.1Low77 Ų77123.2 Ų123.254%0.53865%0.649SS.*THydrogen-bonded Turntrans-75.6-30.7179.258.10000114S328 S333S328-S330 WeakPolarHBondContact CB-OG 3.49Å; S328-S330 PolarHBondContact O-N 3.37Å; S330-S333 PolarHBondContact O-OG 3.25Å
331Q55.5Low51.3Low160 Ų160122.4 Ų122.475%0.74864%0.636SS**THydrogen-bonded Turntrans-82.7-24.9-178.7-72.2-113.7-49.300113.7S328 S333S328-Q331 PolarHBondContact O-N 3.11Å; S328-Q331 VanDerWaalsContact O-N 3.11Å; Q331-S333 PolarHBondContact O-N 2.83Å
332I52.1Low51.8Low77 Ų77122.9 Ų122.940%0.39563%0.631SS.*THydrogen-bonded Turntrans-74-14.1174.6-6399.7000112.2H334 S336I332-H334 VanDerWaalsContact C-N 3.33Å; I332-H334 PolarHBondContact O-N 2.82Å; I332-S336 WeakPolarHBondContact O-CB 3.47Å
333S53Low52.8Low34 Ų34122.3 Ų122.324%0.23862%0.617CS.*THydrogen-bonded Turntrans-77.5-7.8-169.378.70000115.5S330 Q331 R337S330-S333 PolarHBondContact O-OG 3.25Å; Q331-S333 PolarHBondContact O-N 2.83Å; S333-R337 PolarHBondContact O-NE 2.89Å; S333-R337 PolarHBondContact O-NH2 3.46Å; S333-R337 PolarHBondContact OG-NH2 2.94Å
334H50.4Low53.6Low86 Ų86122 Ų12240%0.39861%0.611SS.*THydrogen-bonded Turntrans-100.1-25.8-175.3-64.1-46.8000114.2R306 I332R306-H334 VanDerWaalsContact CZ-CE1 3.44Å; R306-H334 PolarHBondContact NH1-CE1 3.26Å; R306-H334 PolarHBondContact NH1-NE2 3.27Å; I332-H334 VanDerWaalsContact C-N 3.33Å; I332-H334 PolarHBondContact O-N 2.82Å
335T52.4Low54.9Low114 Ų114121.9 Ų121.970%0.69960%0.603SS**THydrogen-bonded Turntrans-90.6-26.3172.955.30000112.5R337T335-R337 PolarHBondContact O-N 2.88Å
336S51.9Low56.1Low37 Ų37123.3 Ų123.326%0.25961%0.613SS.*THydrogen-bonded Turntrans-68.6-12.5177165.50000114.2I332 E341I332-S336 WeakPolarHBondContact O-CB 3.47Å; S336-E341 PolarHBondContact OG-OE2 3.47Å
337R53.6Low57.8Low167 Ų167120.4 Ų120.463%0.6362%0.616SS**THydrogen-bonded Turntrans-102-6.7-176.4-84.3-174.8-74.2-139.9-4.7116.8S333 T335S333-R337 PolarHBondContact O-NE 2.89Å; S333-R337 PolarHBondContact O-NH2 3.46Å; S333-R337 PolarHBondContact OG-NH2 2.94Å; T335-R337 PolarHBondContact O-N 2.88Å
338M56Low59.3Low157 Ų157117.5 Ų117.577%0.77360%0.602SS**THydrogen-bonded Turntrans-88.5-15.8-178.3-83.6-177.564.100114.2
339W49.4Very low61.1Low166 Ų166119.6 Ų119.663%0.62961%0.607SS**THydrogen-bonded Turntrans-147.9125.7163.8-71.889.1000106E341W339-E341 PolarHBondContact O-N 3.05Å
340P56.2Low62.8Low122 Ų122111.3 Ų111.379%0.79257%0.574SS**THydrogen-bonded Turntrans-54.9108.5176.1-19.629.8000108.6R342P340-R342 PolarHBondContact O-N 3.44Å
341E53.8Low64.3Low99 Ų99111.3 Ų111.346%0.46357%0.571SS.*  trans19.671.5163.8-131.178.8-146.100115.4S336 W339 R343S336-E341 PolarHBondContact OG-OE2 3.47Å; W339-E341 PolarHBondContact O-N 3.05Å; E341-R343 HydrophobicContact CG-CB 4.3Å; E341-R343 HydrophobicContact CG-CG 4.2Å; E341-R343 PolarHBondContact O-N 3.45Å; E341-R343 IonicContact OE1-CZ 3.53Å; E341-R343 IonicContact OE1-NE 2.9Å; E341-R343 PolarHBondContact OE1-NE 3.23Å; E341-R343 IonicContact OE1-NH2 3.9Å; E341-R343 PolarHBondContact OE1-NH2 3.46Å
342R56Low66.1Low177 Ų177110.3 Ų110.367%0.66856%0.562SS**  trans-71.652.5159.7-80.1-169.5-72-114.9-4.3110.3P340P340-R342 PolarHBondContact O-N 3.44Å
343R61.9Low68.1Low166 Ų166110.1 Ų110.163%0.62656%0.561SS**  trans-108.469174.1-61.7-159.7-132.3-155.26.9109.3E341E341-R343 HydrophobicContact CG-CB 4.3Å; E341-R343 HydrophobicContact CG-CG 4.2Å; E341-R343 PolarHBondContact O-N 3.45Å; E341-R343 IonicContact OE1-CZ 3.53Å; E341-R343 IonicContact OE1-NE 2.9Å; E341-R343 PolarHBondContact OE1-NE 3.23Å; E341-R343 IonicContact OE1-NH2 3.9Å; E341-R343 PolarHBondContact OE1-NH2 3.46Å
344L66.1Low70Confident97 Ų97112.3 Ų112.351%0.50857%0.569SS.*PPolyproline II helixtrans-59.2136.1152.8-67.5166.7000106.5S346 P350L344-S346 PolarHBondContact O-N 3.42Å; L344-P350 HydrophobicContact CD1-CB 3.67Å; L344-P350 HydrophobicContact CD1-CG 3.6Å
345K72.3Confident72.2Confident158 Ų158115.1 Ų115.169%0.68758%0.581SS**PPolyproline II helixtrans-62.5136.3175-56.7170.5-178.2-84.20107.1G347 D348K345-G347 PolarHBondContact O-N 3.11Å; K345-D348 WeakPolarHBondContact CB-OD2 3.21Å; K345-D348 PolarHBondContact O-N 2.9Å
346S77.6Confident74.2Confident131 Ų131115.5 Ų115.592%0.91658%0.576SS**THydrogen-bonded Turntrans-55.6125175.9-58.60000109.3L344L344-S346 PolarHBondContact O-N 3.42Å
347G83.5Confident76.3Confident80 Ų80121.7 Ų121.783%0.82560%0.598SS**THydrogen-bonded Turntrans104.2-18.8-175.500000114.8K345K345-G347 PolarHBondContact O-N 3.11Å
348D84.7Confident78.3Confident93 Ų93118.9 Ų118.950%0.49759%0.592SS.*PPolyproline II helixtrans-84.7136.8178-70.7-13.9000111.8K345 P350K345-D348 WeakPolarHBondContact CB-OD2 3.21Å; K345-D348 PolarHBondContact O-N 2.9Å; D348-P350 WeakPolarHBondContact O-CD 3.36Å
349I87.6Confident80.2Confident113 Ų113118.9 Ų118.958%0.57959%0.588SS**PPolyproline II helixtrans-73124.8176.1-60.5163.2000109L353 I354I349-L353 HydrophobicContact CG2-CB 3.76Å; I349-L353 HydrophobicContact CG2-CD1 4.11Å; I349-I354 HydrophobicContact CB-CG1 4.47Å; I349-I354 HydrophobicContact CG2-CG1 3.98Å
350P89.5Confident82.3Confident27 Ų27114.9 Ų114.918%0.17558%0.576CS.*PPolyproline II helixtrans-51.1138.7174.4-2524.3000113.4L344 D348 Y352 L353 I354L344-P350 HydrophobicContact CD1-CB 3.67Å; L344-P350 HydrophobicContact CD1-CG 3.6Å; D348-P350 WeakPolarHBondContact O-CD 3.36Å; P350-Y352 HydrophobicContact CB-CD1 3.36Å; P350-Y352 HydrophobicContact CB-CE1 3.17Å; P350-Y352 HydrophobicContact CB-CG 4.43Å; P350-Y352 HydrophobicContact CG-CD1 4.4Å; P350-Y352 HydrophobicContact CG-CE1 3.74Å; P350-Y352 PolarHBondContact O-N 3.4Å; P350-L353 HydrophobicContact CB-CD1 4.4Å; P350-L353 HydrophobicContact CB-CG 4.4Å; P350-L353 HydrophobicContact CG-CD1 4.02Å; P350-L353 WeakPolarHBondContact O-CB 3.39Å; P350-L353 PolarHBondContact O-N 2.95Å; P350-I354 PolarHBondContact O-N 3.36Å
351P86.9Confident84.2Confident76 Ų76116.8 Ų116.849%0.49457%0.572SS.*Hα-helixtrans-61.2-25.8-175.323.6-34.6000113.3L353 I354 K355P351-L353 VanDerWaalsContact C-N 3.34Å; P351-I354 PolarHBondContact O-N 3.19Å; P351-K355 WeakPolarHBondContact O-CG 3.36Å; P351-K355 PolarHBondContact O-N 2.96Å
352Y93.1Very high86.1Confident140 Ų140117.3 Ų117.355%0.54957%0.574SS.*Hα-helixtrans-67-34.717677.8-91.7000112.1P350 K355 M356P350-Y352 HydrophobicContact CB-CD1 3.36Å; P350-Y352 HydrophobicContact CB-CE1 3.17Å; P350-Y352 HydrophobicContact CB-CG 4.43Å; P350-Y352 HydrophobicContact CG-CD1 4.4Å; P350-Y352 HydrophobicContact CG-CE1 3.74Å; P350-Y352 PolarHBondContact O-N 3.4Å; Y352-K355 PolarHBondContact O-N 2.91Å; Y352-M356 HydrophobicContact CD2-SD 4.05Å; Y352-M356 WeakPolarHBondContact O-CB 3.4Å; Y352-M356 WeakPolarHBondContact O-CG 3.45Å; Y352-M356 PolarHBondContact O-N 3.4Å
353L94Very high87.9Confident73 Ų73114.7 Ų114.738%0.38256%0.564SS.*Hα-helixtrans-69.6-39.1176.9-66.5177.2000111.4I349 P350 P351 M356 K357I349-L353 HydrophobicContact CG2-CB 3.76Å; I349-L353 HydrophobicContact CG2-CD1 4.11Å; P350-L353 HydrophobicContact CB-CD1 4.4Å; P350-L353 HydrophobicContact CB-CG 4.4Å; P350-L353 HydrophobicContact CG-CD1 4.02Å; P350-L353 WeakPolarHBondContact O-CB 3.39Å; P350-L353 PolarHBondContact O-N 2.95Å; P351-L353 VanDerWaalsContact C-N 3.34Å; L353-M356 PolarHBondContact O-N 3.47Å; L353-K357 PolarHBondContact O-N 3.42Å
354I93.8Very high89.4Confident79 Ų79110.5 Ų110.541%0.40555%0.554SS.*Hα-helixtrans-60.5-49.9174.3-58.6174.3000109.9I349 P350 P351 M356 K357 Q358I349-I354 HydrophobicContact CB-CG1 4.47Å; I349-I354 HydrophobicContact CG2-CG1 3.98Å; P350-I354 PolarHBondContact O-N 3.36Å; P351-I354 PolarHBondContact O-N 3.19Å; I354-M356 VanDerWaalsContact C-N 3.32Å; I354-M356 PolarHBondContact O-N 3.47Å; I354-K357 PolarHBondContact O-N 2.93Å; I354-Q358 WeakPolarHBondContact O-CG 3.36Å; I354-Q358 PolarHBondContact O-N 3.33Å
355K94.9Very high90.5Very high146 Ų146110.5 Ų110.564%0.63555%0.551SS**Hα-helixtrans-60.3-40176.8-71.9177.2-178.8-175.70112.4P351 Y352 Q358 K359P351-K355 WeakPolarHBondContact O-CG 3.36Å; P351-K355 PolarHBondContact O-N 2.96Å; Y352-K355 PolarHBondContact O-N 2.91Å; K355-Q358 PolarHBondContact O-N 2.94Å; K355-K359 WeakPolarHBondContact O-CB 3.34Å; K355-K359 PolarHBondContact O-N 2.94Å
356M95Very high91.3Very high121 Ų121108.9 Ų108.960%0.59654%0.544SS*.Hα-helixtrans-64.3-45.2176.2-76.8-177.874.600111.8Y352 L353 I354 Q358 K359 E360Y352-M356 HydrophobicContact CD2-SD 4.05Å; Y352-M356 WeakPolarHBondContact O-CB 3.4Å; Y352-M356 WeakPolarHBondContact O-CG 3.45Å; Y352-M356 PolarHBondContact O-N 3.4Å; L353-M356 PolarHBondContact O-N 3.47Å; I354-M356 VanDerWaalsContact C-N 3.32Å; I354-M356 PolarHBondContact O-N 3.47Å; M356-Q358 PolarHBondContact O-N 3.48Å; M356-K359 PolarHBondContact O-N 3.49Å; M356-E360 WeakPolarHBondContact O-CB 3.48Å; M356-E360 PolarHBondContact O-N 2.94Å
357K95.6Very high91.7Very high168 Ų168106.7 Ų106.773%0.7352%0.519SS*.Hα-helixtrans-63.2-40.7176.9-173177.9-179.21800112L353 I354 E360 K361L353-K357 PolarHBondContact O-N 3.42Å; I354-K357 PolarHBondContact O-N 2.93Å; K357-E360 PolarHBondContact O-N 3.25Å; K357-K361 WeakPolarHBondContact O-CB 3.44Å; K357-K361 PolarHBondContact O-N 3.34Å
358Q96.3Very high91.6Very high108 Ų108107.3 Ų107.351%0.50550%0.503SS..Hα-helixtrans-61.6-49.3174.6-74.2171.9-15.700111.3I354 K355 M356 E360 K361 E362I354-Q358 WeakPolarHBondContact O-CG 3.36Å; I354-Q358 PolarHBondContact O-N 3.33Å; K355-Q358 PolarHBondContact O-N 2.94Å; M356-Q358 PolarHBondContact O-N 3.48Å; Q358-E360 VanDerWaalsContact C-N 3.29Å; Q358-E360 PolarHBondContact O-N 2.92Å; Q358-K361 WeakPolarHBondContact O-CB 3.35Å; Q358-K361 PolarHBondContact O-N 3.32Å; Q358-K361 VanDerWaalsContact O-N 3.16Å; Q358-E362 WeakPolarHBondContact O-CG 3.46Å; Q358-E362 PolarHBondContact O-N 3.07Å
359K96.1Very high91.4Very high156 Ų156109 Ų10968%0.67851%0.508SS*.Hα-helixtrans-59.8-39.3177.4-171.7179.3-178.8-177.70112.4K355 M356 E362 R363K355-K359 WeakPolarHBondContact O-CB 3.34Å; K355-K359 PolarHBondContact O-N 2.94Å; M356-K359 PolarHBondContact O-N 3.49Å; K359-E362 PolarHBondContact O-N 3.49Å; K359-R363 WeakPolarHBondContact O-CB 3.41Å; K359-R363 PolarHBondContact O-N 3.47Å
360E94.4Very high91Very high82 Ų82109.9 Ų109.938%0.38351%0.514SS..Hα-helixtrans-67.9-41.3176.5-175.359-166.300111.7M356 K357 Q358 E362 R363 I364M356-E360 WeakPolarHBondContact O-CB 3.48Å; M356-E360 PolarHBondContact O-N 2.94Å; K357-E360 PolarHBondContact O-N 3.25Å; Q358-E360 VanDerWaalsContact C-N 3.29Å; Q358-E360 PolarHBondContact O-N 2.92Å; E360-E362 PolarHBondContact O-N 3.4Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 3.35Å; E360-R363 IonicContact OE1-CZ 3.4Å; E360-R363 IonicContact OE1-NE 3.15Å; E360-R363 PolarHBondContact OE1-NE 2.75Å; E360-R363 IonicContact OE1-NH2 3.11Å; E360-R363 PolarHBondContact OE1-NH2 2.99Å; E360-R363 IonicContact OE2-CZ 3.74Å; E360-R363 IonicContact OE2-NE 2.7Å; E360-R363 PolarHBondContact OE2-NE 3.04Å; E360-R363 IonicContact OE2-NH2 3.46Å; E360-I364 HydrophobicContact CG-CD1 4.02Å; E360-I364 WeakPolarHBondContact O-CG1 3.47Å; E360-I364 PolarHBondContact O-N 3.4Å
361K95.1Very high90.4Very high162 Ų162115.1 Ų115.170%0.70453%0.53SS*.Hα-helixtrans-59.7-45.4173.5-173.9-179.1179.1-178.30111.5K357 Q358 R363 I364 Q365K357-K361 WeakPolarHBondContact O-CB 3.44Å; K357-K361 PolarHBondContact O-N 3.34Å; Q358-K361 WeakPolarHBondContact O-CB 3.35Å; Q358-K361 PolarHBondContact O-N 3.32Å; Q358-K361 VanDerWaalsContact O-N 3.16Å; K361-R363 VanDerWaalsContact C-N 3.32Å; K361-R363 PolarHBondContact O-N 2.71Å; K361-I364 PolarHBondContact O-N 3.41Å; K361-Q365 WeakPolarHBondContact O-CB 3.44Å; K361-Q365 PolarHBondContact O-N 2.89Å
362E94.8Very high89.8Confident110 Ų110116.1 Ų116.151%0.51454%0.537SS..Hα-helixtrans-62-38.8175.3-71.8172.6-161.700112.2Q358 K359 E360 K366Q358-E362 WeakPolarHBondContact O-CG 3.46Å; Q358-E362 PolarHBondContact O-N 3.07Å; K359-E362 PolarHBondContact O-N 3.49Å; E360-E362 PolarHBondContact O-N 3.4Å; E362-K366 WeakPolarHBondContact O-CB 3.45Å; E362-K366 VanDerWaalsContact O-CG 3.29Å; E362-K366 WeakPolarHBondContact O-CG 3.44Å; E362-K366 PolarHBondContact O-N 3.45Å
363R93.6Very high89.1Confident123 Ų123111.4 Ų111.446%0.46452%0.521SS..Hα-helixtrans-64.1-48176.6-169.9-173.274.576.71.3111.2K359 E360 K361 K366 E367K359-R363 WeakPolarHBondContact O-CB 3.41Å; K359-R363 PolarHBondContact O-N 3.47Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 3.35Å; E360-R363 IonicContact OE1-CZ 3.4Å; E360-R363 IonicContact OE1-NE 3.15Å; E360-R363 PolarHBondContact OE1-NE 2.75Å; E360-R363 IonicContact OE1-NH2 3.11Å; E360-R363 PolarHBondContact OE1-NH2 2.99Å; E360-R363 IonicContact OE2-CZ 3.74Å; E360-R363 IonicContact OE2-NE 2.7Å; E360-R363 PolarHBondContact OE2-NE 3.04Å; E360-R363 IonicContact OE2-NH2 3.46Å; K361-R363 VanDerWaalsContact C-N 3.32Å; K361-R363 PolarHBondContact O-N 2.71Å; R363-K366 PolarHBondContact O-N 3.01Å; R363-E367 IonicContact NH1-OE2 2.67Å; R363-E367 PolarHBondContact NH1-OE2 3.23Å; R363-E367 VanDerWaalsContact NH1-OE2 3.11Å; R363-E367 WeakPolarHBondContact O-CB 3.26Å; R363-E367 PolarHBondContact O-N 3.18Å
364I91.7Very high88.5Confident78 Ų78113.2 Ų113.240%0.454%0.537SS..Hα-helixtrans-63-43.2178.1-67.5166.9000110.4E360 K361 E367 L368E360-I364 HydrophobicContact CG-CD1 4.02Å; E360-I364 WeakPolarHBondContact O-CG1 3.47Å; E360-I364 PolarHBondContact O-N 3.4Å; K361-I364 PolarHBondContact O-N 3.41Å; I364-E367 PolarHBondContact O-N 3.44Å; I364-L368 HydrophobicContact CG2-CD1 3.95Å; I364-L368 HydrophobicContact CG2-CG 4.36Å; I364-L368 WeakPolarHBondContact O-CG 3.29Å; I364-L368 PolarHBondContact O-N 2.86Å
365Q90.5Very high88.1Confident96 Ų96115 Ų11545%0.44955%0.548SS..Hα-helixtrans-60.2-48.2177.2-177.36227.400111.6K361 E367 L368 E369K361-Q365 WeakPolarHBondContact O-CB 3.44Å; K361-Q365 PolarHBondContact O-N 2.89Å; Q365-E367 VanDerWaalsContact C-N 3.29Å; Q365-E367 PolarHBondContact O-N 2.95Å; Q365-L368 PolarHBondContact O-N 3.39Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.34Å; Q365-E369 PolarHBondContact NE2-OE1 2.9Å; Q365-E369 WeakPolarHBondContact O-CG 3.34Å; Q365-E369 PolarHBondContact O-N 3.18Å
366K88.1Confident87.8Confident124 Ų124111.6 Ų111.654%0.53953%0.534SS..Hα-helixtrans-61.2-38.1174.5-73.7173.7-179175.70112E362 R363 N370E362-K366 WeakPolarHBondContact O-CB 3.45Å; E362-K366 VanDerWaalsContact O-CG 3.29Å; E362-K366 WeakPolarHBondContact O-CG 3.44Å; E362-K366 PolarHBondContact O-N 3.45Å; R363-K366 PolarHBondContact O-N 3.01Å; K366-N370 WeakPolarHBondContact O-CB 3.47Å; K366-N370 PolarHBondContact O-N 2.91Å; K366-N370 PolarHBondContact O-ND2 3.16Å
367E85.9Confident87.6Confident85 Ų85108.2 Ų108.240%0.39752%0.521SS..Hα-helixtrans-66.6-39.8177.2-165.8-177.4143.600111.5R363 I364 Q365 R371R363-E367 IonicContact NH1-OE2 2.67Å; R363-E367 PolarHBondContact NH1-OE2 3.23Å; R363-E367 VanDerWaalsContact NH1-OE2 3.11Å; R363-E367 WeakPolarHBondContact O-CB 3.26Å; R363-E367 PolarHBondContact O-N 3.18Å; I364-E367 PolarHBondContact O-N 3.44Å; Q365-E367 VanDerWaalsContact C-N 3.29Å; Q365-E367 PolarHBondContact O-N 2.95Å; E367-R371 VanDerWaalsContact O-CB 3.26Å; E367-R371 WeakPolarHBondContact O-CB 3.22Å; E367-R371 PolarHBondContact O-N 2.77Å; E367-R371 IonicContact OE1-NH2 2.79Å; E367-R371 PolarHBondContact OE1-NH2 3.26Å
368L82.3Confident87.3Confident94 Ų94106.2 Ų106.249%0.49253%0.525SS..Hα-helixtrans-66.8-40.4175.8-72.3169.1000112.4I364 Q365 R371I364-L368 HydrophobicContact CG2-CD1 3.95Å; I364-L368 HydrophobicContact CG2-CG 4.36Å; I364-L368 WeakPolarHBondContact O-CG 3.29Å; I364-L368 PolarHBondContact O-N 2.86Å; Q365-L368 PolarHBondContact O-N 3.39Å; L368-R371 PolarHBondContact O-N 2.84Å
369E79.4Confident87.1Confident128 Ų128104 Ų10460%0.59853%0.531SS*.Hα-helixtrans-66.9-37.2176.6-73.4167.9-170.300112.6Q365Q365-E369 WeakPolarHBondContact CG-OE1 3.34Å; Q365-E369 PolarHBondContact NE2-OE1 2.9Å; Q365-E369 WeakPolarHBondContact O-CG 3.34Å; Q365-E369 PolarHBondContact O-N 3.18Å
370N79.1Confident87Confident131 Ų13199.6 Ų99.670%0.70151%0.513SS*.Hα-helixtrans-87.1-11.6178.6-69.9-61.4000113.3K366 P372K366-N370 WeakPolarHBondContact O-CB 3.47Å; K366-N370 PolarHBondContact O-N 2.91Å; K366-N370 PolarHBondContact O-ND2 3.16Å; N370-P372 WeakPolarHBondContact O-CD 3.4Å
371R77.1Confident86.9Confident138 Ų138101.5 Ų101.552%0.52152%0.522SS..SBendtrans-66.9121.9177.8-177.1173.9-67.9-177.1-0.1107.3E367 L368 D373E367-R371 VanDerWaalsContact O-CB 3.26Å; E367-R371 WeakPolarHBondContact O-CB 3.22Å; E367-R371 PolarHBondContact O-N 2.77Å; E367-R371 IonicContact OE1-NH2 2.79Å; E367-R371 PolarHBondContact OE1-NH2 3.26Å; L368-R371 PolarHBondContact O-N 2.84Å; R371-D373 PolarHBondContact O-N 3.01Å
372P74.8Confident86.7Confident97 Ų9799.1 Ų99.163%0.6351%0.508SS*.PPolyproline II helixtrans-56.8139.9173.124.8-32.9000108.8N370 P374N370-P372 WeakPolarHBondContact O-CD 3.4Å; P372-P374 VanDerWaalsContact O-N 3.14Å
373D78.5Confident86.7Confident40 Ų4094.6 Ų94.621%0.21449%0.487CS..PPolyproline II helixtrans-50.7123.3179-96.6-44.2000108R371 D375 Q376 R382 K443 F445R371-D373 PolarHBondContact O-N 3.01Å; D373-D375 PolarHBondContact O-N 3.1Å; D373-D375 VanDerWaalsContact O-N 3.09Å; D373-Q376 HydrophobicContact CB-CB 4.14Å; D373-Q376 VanDerWaalsContact O-CB 3.28Å; D373-Q376 WeakPolarHBondContact O-CB 3.37Å; D373-Q376 PolarHBondContact O-N 2.98Å; D373-R382 IonicContact OD2-NH1 3.45Å; D373-K443 IonicContact OD1-NZ 3.19Å; D373-K443 PolarHBondContact OD1-NZ 2.71Å; D373-K443 IonicContact OD2-NZ 3.52Å; D373-F445 HydrophobicContact CB-CE1 4.43Å; D373-F445 HydrophobicContact CB-CZ 4.22Å
374P80.9Confident86.8Confident112 Ų11291.6 Ų91.673%0.72748%0.484SS*.THydrogen-bonded Turntrans-62.1-23.1-174.525.2-34.8000112.5P372P372-P374 VanDerWaalsContact O-N 3.14Å
375D85.3Confident86.9Confident116 Ų11693.5 Ų93.562%0.6249%0.491SS*.THydrogen-bonded Turntrans-88.1-6.1-180-53.7-33.8000113D373 P377 F445D373-D375 PolarHBondContact O-N 3.1Å; D373-D375 VanDerWaalsContact O-N 3.09Å; D375-P377 WeakPolarHBondContact O-CD 3.47Å; D375-F445 HydrophobicContact CB-CE2 4.37Å
376Q89Confident87.2Confident74 Ų7495.5 Ų95.535%0.34650%0.501SS..PPolyproline II helixtrans-69.6116.1-176.8-177.1175-34.300110.3D373 H380 F445D373-Q376 HydrophobicContact CB-CB 4.14Å; D373-Q376 VanDerWaalsContact O-CB 3.28Å; D373-Q376 WeakPolarHBondContact O-CB 3.37Å; D373-Q376 PolarHBondContact O-N 2.98Å; Q376-H380 PolarHBondContact NE2-O 3.44Å; Q376-F445 HydrophobicContact CB-CD1 4.15Å; Q376-F445 HydrophobicContact CB-CE1 3.64Å; Q376-F445 HydrophobicContact CB-CZ 3.99Å; Q376-F445 HydrophobicContact CG-CD1 3.8Å; Q376-F445 HydrophobicContact CG-CE1 3.76Å
377P91.3Very high87.6Confident51 Ų5194.2 Ų94.233%0.33150%0.497SS..PPolyproline II helixtrans-65.1148178.9-21.234.4000111.6D375 G379 H380D375-P377 WeakPolarHBondContact O-CD 3.47Å; P377-G379 PolarHBondContact O-N 2.9Å; P377-H380 HydrophobicContact CB-CB 4.31Å; P377-H380 WeakPolarHBondContact O-CB 3.28Å; P377-H380 PolarHBondContact O-N 2.85Å; P377-H380 VanDerWaalsContact O-N 3.1Å
378P89.9Confident88.2Confident126 Ų12691.3 Ų91.382%0.81848%0.482SS*.THydrogen-bonded Turntrans-54.8136.3175.9-24.833.5000111.9H380P378-H380 PolarHBondContact O-N 3.09Å; P378-H380 PolarHBondContact O-ND1 2.85Å
379G90.7Very high88.9Confident61 Ų6190.8 Ų90.863%0.62948%0.479SS*.THydrogen-bonded Turntrans69.910-179.800000115P377 P448P377-G379 PolarHBondContact O-N 2.9Å; G379-P448 WeakPolarHBondContact O-CD 3.39Å
380H93.8Very high89.8Confident63 Ų6391.7 Ų91.729%0.29248%0.481SS..  trans-108.6154.7172.1-64.662.3000110.4Q376 P377 P378 F445 I446Q376-H380 PolarHBondContact NE2-O 3.44Å; P377-H380 HydrophobicContact CB-CB 4.31Å; P377-H380 WeakPolarHBondContact O-CB 3.28Å; P377-H380 PolarHBondContact O-N 2.85Å; P377-H380 VanDerWaalsContact O-N 3.1Å; P378-H380 PolarHBondContact O-N 3.09Å; P378-H380 PolarHBondContact O-ND1 2.85Å; H380-F445 HydrophobicContact CB-CB 4.05Å; H380-I446 CarbonylContact C-O 3.44Å; H380-I446 VanDerWaalsContact CA-O 3.25Å; H380-I446 WeakPolarHBondContact CA-O 3.41Å; H380-I446 WeakPolarHBondContact CB-O 3.47Å
381Q92.3Very high90.7Very high123 Ų12387.3 Ų87.358%0.57546%0.459SS*.EExtended strand (participates in β ladder)trans-120.8144.7175178.8176.1-14.100109.7M383 F445 I446Q381-M383 PolarHBondContact O-N 3.46Å; Q381-F445 CarbonylContact O-C 3.48Å; Q381-F445 WeakPolarHBondContact O-CA 3.17Å; Q381-I446 PolarHBondContact N-O 3.08Å; Q381-I446 PolarHBondContact O-N 3.38Å
382R92.2Very high91.7Very high111 Ų11182 Ų8242%0.41944%0.441SS..EExtended strand (participates in β ladder)trans-67.3127.2173.7-177.2174.7170.8-176-6.8110.6D373 F445D373-R382 IonicContact OD2-NH1 3.45Å; R382-F445 HydrophobicContact CB-CD1 3.96Å; R382-F445 HydrophobicContact CB-CE1 3.9Å; R382-F445 HydrophobicContact CG-CE1 4.35Å
383M94.2Very high92.8Very high15 Ų1584.2 Ų84.27%0.07444%0.443CS..PPolyproline II helixtrans-66.3132.6172.4-171.4179.5-104.500110Q381 E387 R388 F439 V444 I446Q381-M383 PolarHBondContact O-N 3.46Å; M383-E387 HydrophobicContact CE-CG 4.37Å; M383-E387 HydrophobicContact CG-CB 4.18Å; M383-E387 HydrophobicContact CG-CG 4.33Å; M383-R388 HydrophobicContact CG-CB 4.23Å; M383-R388 WeakPolarHBondContact SD-CA 3.49Å; M383-R388 HydrophobicContact SD-CB 3.7Å; M383-R388 HydrophobicContact SD-CG 4.23Å; M383-F439 HydrophobicContact CE-CD1 4.37Å; M383-F439 HydrophobicContact CE-CE1 3.46Å; M383-F439 VanDerWaalsContact CE-CE1 3.46Å; M383-F439 HydrophobicContact CE-CZ 4.16Å; M383-F439 HydrophobicContact SD-CD1 4.03Å; M383-F439 HydrophobicContact SD-CE1 3.64Å; M383-V444 HydrophobicContact CB-CB 4.31Å; M383-V444 PolarHBondContact N-O 3.04Å; M383-I446 HydrophobicContact CB-CD1 3.75Å; M383-I446 HydrophobicContact CB-CG1 4.02Å; M383-I446 HydrophobicContact CE-CD1 3.16Å; M383-I446 HydrophobicContact CE-CG1 3.95Å; M383-I446 HydrophobicContact CG-CD1 3.75Å; M383-I446 HydrophobicContact CG-CG1 4.48Å; M383-I446 HydrophobicContact SD-CD1 4.1Å
384P94.9Very high93.7Very high60 Ų6088 Ų8839%0.3946%0.462SS..PPolyproline II helixtrans-64.4145.8173.926.1-30.8000110.5Q386 E387 R388P384-Q386 VanDerWaalsContact C-N 3.31Å; P384-Q386 PolarHBondContact O-N 3.28Å; P384-E387 WeakPolarHBondContact CD-OE2 3.24Å; P384-E387 HydrophobicContact CG-CB 3.76Å; P384-E387 VanDerWaalsContact CG-OE2 3.24Å; P384-E387 WeakPolarHBondContact CG-OE2 3.36Å; P384-E387 PolarHBondContact O-N 3.14Å; P384-E387 VanDerWaalsContact O-N 3.12Å; P384-R388 PolarHBondContact O-N 3.4Å
385E95.5Very high94.6Very high119 Ų11984 Ų8456%0.55643%0.434SS*.Hα-helixtrans-61.2-38.5-171.6-176.5174.1-17100112.8E387 R388 L389E385-E387 VanDerWaalsContact C-N 3.31Å; E385-E387 PolarHBondContact O-N 2.82Å; E385-R388 WeakPolarHBondContact O-CB 3.4Å; E385-R388 PolarHBondContact O-N 3.01Å; E385-L389 HydrophobicContact CG-CD1 4.21Å; E385-L389 HydrophobicContact CG-CG 4.49Å; E385-L389 WeakPolarHBondContact O-CG 3.25Å; E385-L389 PolarHBondContact O-N 3.17Å
386Q96.6Very high95.2Very high138 Ų13881.7 Ų81.765%0.64542%0.422SS*.Hα-helixtrans-63.4-37.8178.4-6096.2-15.900112.2P384 K390P384-Q386 VanDerWaalsContact C-N 3.31Å; P384-Q386 PolarHBondContact O-N 3.28Å; Q386-K390 VanDerWaalsContact O-CG 3.27Å; Q386-K390 WeakPolarHBondContact O-CG 3.36Å; Q386-K390 PolarHBondContact O-N 3.12Å; Q386-K390 VanDerWaalsContact O-N 3.14Å
387E96.4Very high95.6Very high97 Ų9784.3 Ų84.345%0.45343%0.432SS..Hα-helixtrans-72.4-38.8178.6-171.6179.2171.100111.4M383 P384 E385 L389 K390 T391M383-E387 HydrophobicContact CE-CG 4.37Å; M383-E387 HydrophobicContact CG-CB 4.18Å; M383-E387 HydrophobicContact CG-CG 4.33Å; P384-E387 WeakPolarHBondContact CD-OE2 3.24Å; P384-E387 HydrophobicContact CG-CB 3.76Å; P384-E387 VanDerWaalsContact CG-OE2 3.24Å; P384-E387 WeakPolarHBondContact CG-OE2 3.36Å; P384-E387 PolarHBondContact O-N 3.14Å; P384-E387 VanDerWaalsContact O-N 3.12Å; E385-E387 VanDerWaalsContact C-N 3.31Å; E385-E387 PolarHBondContact O-N 2.82Å; E387-L389 PolarHBondContact O-N 2.94Å; E387-K390 PolarHBondContact O-N 3.39Å; E387-T391 WeakPolarHBondContact O-CB 3.27Å; E387-T391 PolarHBondContact O-N 3.48Å; E387-T391 PolarHBondContact O-OG1 2.8Å
388R97.5Very high95.9Very high24 Ų2483.3 Ų83.39%0.09143%0.429CS..Hα-helixtrans-57.3-49.2173.2-173.8-166.968.296.1-3.6111.5M383 P384 E385 T391 L392 F439 S440 K441 V444M383-R388 HydrophobicContact CG-CB 4.23Å; M383-R388 WeakPolarHBondContact SD-CA 3.49Å; M383-R388 HydrophobicContact SD-CB 3.7Å; M383-R388 HydrophobicContact SD-CG 4.23Å; P384-R388 PolarHBondContact O-N 3.4Å; E385-R388 WeakPolarHBondContact O-CB 3.4Å; E385-R388 PolarHBondContact O-N 3.01Å; R388-T391 PolarHBondContact O-N 2.9Å; R388-L392 WeakPolarHBondContact O-CB 3.44Å; R388-L392 PolarHBondContact O-N 3.33Å; R388-F439 HydrophobicContact CG-CD1 4.26Å; R388-F439 PolarHBondContact NH1-O 3Å; R388-S440 PolarHBondContact NH1-O 3.32Å; R388-K441 VanDerWaalsContact CD-O 3.27Å; R388-K441 WeakPolarHBondContact CD-O 3.36Å; R388-K441 PolarHBondContact NH1-O 3.46Å; R388-K441 VanDerWaalsContact NH1-O 3.17Å; R388-V444 HydrophobicContact CG-CG2 4.02Å
389L97.7Very high96.4Very high82 Ų8279.6 Ų79.643%0.42940%0.4SS..Hα-helixtrans-64.6-43.2-179.5-70.7174.3000112.1E385 E387 T391 L392 E393E385-L389 HydrophobicContact CG-CD1 4.21Å; E385-L389 HydrophobicContact CG-CG 4.49Å; E385-L389 WeakPolarHBondContact O-CG 3.25Å; E385-L389 PolarHBondContact O-N 3.17Å; E387-L389 PolarHBondContact O-N 2.94Å; L389-T391 VanDerWaalsContact C-N 3.32Å; L389-T391 PolarHBondContact O-N 3.3Å; L389-L392 PolarHBondContact O-N 3.4Å; L389-E393 PolarHBondContact O-N 3.2Å
390K97.9Very high96.7Very high148 Ų14880.1 Ų80.164%0.64339%0.391SS*.Hα-helixtrans-59.1-43.4174.5-74.5174.7-178.6-176.50112.1Q386 E387 E393 L394Q386-K390 VanDerWaalsContact O-CG 3.27Å; Q386-K390 WeakPolarHBondContact O-CG 3.36Å; Q386-K390 PolarHBondContact O-N 3.12Å; Q386-K390 VanDerWaalsContact O-N 3.14Å; E387-K390 PolarHBondContact O-N 3.39Å; K390-E393 PolarHBondContact O-N 3.01Å; K390-L394 PolarHBondContact O-N 2.91Å; K390-L394 VanDerWaalsContact O-N 3.08Å
391T97.8Very high96.9Very high38 Ų3881.6 Ų81.623%0.23340%0.398CS..Hα-helixtrans-65-43.7177.8-54.10000111E387 R388 L389 E393 L394 L395 F439E387-T391 WeakPolarHBondContact O-CB 3.27Å; E387-T391 PolarHBondContact O-N 3.48Å; E387-T391 PolarHBondContact O-OG1 2.8Å; R388-T391 PolarHBondContact O-N 2.9Å; L389-T391 VanDerWaalsContact C-N 3.32Å; L389-T391 PolarHBondContact O-N 3.3Å; T391-E393 PolarHBondContact O-N 3.37Å; T391-L394 PolarHBondContact O-N 3.29Å; T391-L395 HydrophobicContact CG2-CD1 4.16Å; T391-L395 VanDerWaalsContact O-CG 3.32Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 3.5Å; T391-F439 HydrophobicContact CG2-CD1 4.2Å; T391-F439 HydrophobicContact CG2-CD2 4.13Å; T391-F439 HydrophobicContact CG2-CE1 4.03Å; T391-F439 HydrophobicContact CG2-CE2 3.94Å; T391-F439 HydrophobicContact CG2-CG 4.26Å; T391-F439 HydrophobicContact CG2-CZ 3.9Å
392L98.1Very high97.1Very high28 Ų2876.8 Ų76.815%0.14738%0.377CS..Hα-helixtrans-61.1-42.6176.8-177.362.9000112.1R388 L389 L395 N396 I436 F439R388-L392 WeakPolarHBondContact O-CB 3.44Å; R388-L392 PolarHBondContact O-N 3.33Å; L389-L392 PolarHBondContact O-N 3.4Å; L392-L395 PolarHBondContact O-N 3.16Å; L392-N396 WeakPolarHBondContact O-CB 3.39Å; L392-N396 PolarHBondContact O-N 3.36Å; L392-N396 PolarHBondContact O-ND2 3.49Å; L392-N396 VanDerWaalsContact O-ND2 3.15Å; L392-I436 HydrophobicContact CD1-CG2 4.1Å; L392-F439 HydrophobicContact CB-CB 4.36Å; L392-F439 HydrophobicContact CD1-CB 4.14Å
393E98.2Very high97.4Very high143 Ų14374.1 Ų74.167%0.66838%0.375SS*.Hα-helixtrans-60.7-45.5175.4-172.9-176.3173.900111.7L389 K390 T391 L395 N396 K397L389-E393 PolarHBondContact O-N 3.2Å; K390-E393 PolarHBondContact O-N 3.01Å; T391-E393 PolarHBondContact O-N 3.37Å; E393-L395 PolarHBondContact O-N 3.37Å; E393-N396 PolarHBondContact O-N 3.04Å; E393-K397 PolarHBondContact O-N 3.41Å
394L98.2Very high97.6Very high119 Ų11978.9 Ų78.962%0.62340%0.397SS*.Hα-helixtrans-61.1-44.4176.9179.663.2000112K390 T391 K397 A398K390-L394 PolarHBondContact O-N 2.91Å; K390-L394 VanDerWaalsContact O-N 3.08Å; T391-L394 PolarHBondContact O-N 3.29Å; L394-K397 PolarHBondContact O-N 3.42Å; L394-A398 PolarHBondContact O-N 3.49Å
395L98.3Very high97.7Very high27 Ų2779.8 Ų79.814%0.14140%0.396CS..Hα-helixtrans-64.1-43.2178.2-71.1171.1000111.9T391 L392 E393 K397 A398 H399 L432 A435 I436 F439T391-L395 HydrophobicContact CG2-CD1 4.16Å; T391-L395 VanDerWaalsContact O-CG 3.32Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 3.5Å; L392-L395 PolarHBondContact O-N 3.16Å; E393-L395 PolarHBondContact O-N 3.37Å; L395-K397 VanDerWaalsContact C-N 3.34Å; L395-K397 PolarHBondContact O-N 2.77Å; L395-A398 PolarHBondContact O-N 3.38Å; L395-H399 WeakPolarHBondContact O-CB 3.4Å; L395-H399 PolarHBondContact O-N 3.44Å; L395-L432 HydrophobicContact CD2-CD2 3.68Å; L395-A435 HydrophobicContact CD1-CB 3.84Å; L395-A435 HydrophobicContact CD2-CB 4.01Å; L395-I436 HydrophobicContact CB-CD1 4.47Å; L395-I436 HydrophobicContact CB-CG1 3.79Å; L395-F439 HydrophobicContact CD1-CB 4.38Å; L395-F439 HydrophobicContact CD1-CD2 3.35Å; L395-F439 HydrophobicContact CD1-CE2 3.96Å; L395-F439 HydrophobicContact CD1-CG 4.14Å
396N98.3Very high97.7Very high69 Ų6977.3 Ų77.337%0.36938%0.384SS..Hα-helixtrans-61.4-43.1176-77.8-37.5000111.6L392 E393 A398 H399 T400L392-N396 WeakPolarHBondContact O-CB 3.39Å; L392-N396 PolarHBondContact O-N 3.36Å; L392-N396 PolarHBondContact O-ND2 3.49Å; L392-N396 VanDerWaalsContact O-ND2 3.15Å; E393-N396 PolarHBondContact O-N 3.04Å; N396-A398 PolarHBondContact O-N 3.28Å; N396-H399 WeakPolarHBondContact O-CB 3.5Å; N396-H399 PolarHBondContact O-N 2.92Å; N396-T400 WeakPolarHBondContact O-CG2 3.49Å; N396-T400 PolarHBondContact O-N 2.76Å; N396-T400 PolarHBondContact O-OG1 3.43Å
397K98.4Very high97.7Very high128 Ų12874.8 Ų74.856%0.55738%0.381SS*.Hα-helixtrans-62.2-42176.4-175.2178.9179.7179.30112.2E393 L394 L395 H399 T400 Q401E393-K397 PolarHBondContact O-N 3.41Å; L394-K397 PolarHBondContact O-N 3.42Å; L395-K397 VanDerWaalsContact C-N 3.34Å; L395-K397 PolarHBondContact O-N 2.77Å; K397-H399 VanDerWaalsContact C-N 3.34Å; K397-T400 PolarHBondContact O-OG1 3.01Å; K397-Q401 VanDerWaalsContact O-CG 3.23Å; K397-Q401 WeakPolarHBondContact O-CG 3.29Å; K397-Q401 PolarHBondContact O-N 2.95Å; K397-Q401 VanDerWaalsContact O-N 3.15Å
398A98.2Very high97.7Very high30 Ų3077.5 Ų77.525%0.24839%0.393CS..Hα-helixtrans-65.4-39.6175.700000111.7L394 L395 N396 Q401 L402 L432L394-A398 PolarHBondContact O-N 3.49Å; L395-A398 PolarHBondContact O-N 3.38Å; N396-A398 PolarHBondContact O-N 3.28Å; A398-Q401 PolarHBondContact O-N 3.08Å; A398-L402 PolarHBondContact O-N 3.47Å; A398-L432 HydrophobicContact CB-CD1 3.98Å; A398-L432 HydrophobicContact CB-CD2 4.28Å
399H98.4Very high97.6Very high48 Ų4878.2 Ų78.222%0.22240%0.399CS..Hα-helixtrans-63.5-46.5177.6177.1-81.9000111.7L395 N396 K397 Q401 L402 S403 L432 E433 I436L395-H399 WeakPolarHBondContact O-CB 3.4Å; L395-H399 PolarHBondContact O-N 3.44Å; N396-H399 WeakPolarHBondContact O-CB 3.5Å; N396-H399 PolarHBondContact O-N 2.92Å; K397-H399 VanDerWaalsContact C-N 3.34Å; H399-Q401 VanDerWaalsContact C-N 3.34Å; H399-Q401 PolarHBondContact O-N 3.44Å; H399-L402 PolarHBondContact O-N 3.3Å; H399-S403 WeakPolarHBondContact O-CB 3.17Å; H399-S403 PolarHBondContact O-N 2.94Å; H399-L432 HydrophobicContact CB-CD1 4.19Å; H399-E433 IonicContact NE2-OE1 2.95Å; H399-I436 HydrophobicContact CB-CD1 3.83Å
400T98Very high97.6Very high72 Ų7277.8 Ų77.844%0.44240%0.401SS..Hα-helixtrans-61.7-42.4177.154.90000111.7N396 K397 S403 E404N396-T400 WeakPolarHBondContact O-CG2 3.49Å; N396-T400 PolarHBondContact O-N 2.76Å; N396-T400 PolarHBondContact O-OG1 3.43Å; K397-T400 PolarHBondContact O-OG1 3.01Å; T400-S403 PolarHBondContact O-N 3.47Å; T400-E404 WeakPolarHBondContact O-CG 3.27Å; T400-E404 PolarHBondContact O-N 3.28Å
401Q97.8Very high97.5Very high95 Ų9577.5 Ų77.544%0.44441%0.411SS..Hα-helixtrans-61-46.8177.6-73.4173.2-14.800112.4K397 A398 H399 S403 E404 E405K397-Q401 VanDerWaalsContact O-CG 3.23Å; K397-Q401 WeakPolarHBondContact O-CG 3.29Å; K397-Q401 PolarHBondContact O-N 2.95Å; K397-Q401 VanDerWaalsContact O-N 3.15Å; A398-Q401 PolarHBondContact O-N 3.08Å; H399-Q401 VanDerWaalsContact C-N 3.34Å; H399-Q401 PolarHBondContact O-N 3.44Å; Q401-S403 VanDerWaalsContact C-N 3.35Å; Q401-E404 PolarHBondContact O-N 3.15Å; Q401-E405 PolarHBondContact O-N 2.96Å
402L97.5Very high97.4Very high22 Ų2284.9 Ų84.912%0.11544%0.435CS..Hα-helixtrans-69-33177.6-74-178000112.8A398 H399 E405 F406 I425 R428 L429 L432A398-L402 PolarHBondContact O-N 3.47Å; H399-L402 PolarHBondContact O-N 3.3Å; L402-E405 PolarHBondContact O-N 3.03Å; L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 PolarHBondContact O-N 3.19Å; L402-I425 HydrophobicContact CB-CG2 4.42Å; L402-R428 HydrophobicContact CD1-CB 3.61Å; L402-L429 HydrophobicContact CB-CD2 3.84Å; L402-L429 HydrophobicContact CB-CG 4.21Å; L402-L432 HydrophobicContact CD1-CD1 3.77Å
403S97.7Very high97.2Very high55 Ų5587.2 Ų87.239%0.38545%0.446SS..Hα-helixtrans-65.7-39.6174-175.20000111.7H399 T400 Q401 F406 S407H399-S403 WeakPolarHBondContact O-CB 3.17Å; H399-S403 PolarHBondContact O-N 2.94Å; T400-S403 PolarHBondContact O-N 3.47Å; Q401-S403 VanDerWaalsContact C-N 3.35Å; S403-F406 PolarHBondContact O-N 2.86Å; S403-S407 PolarHBondContact O-N 3.48Å
404E97.8Very high97.1Very high114 Ų11486.2 Ų86.253%0.53345%0.445SS..Hα-helixtrans-62.2-48.6172.5-73.8171.3-171.400110.5T400 Q401 F406 S407 H408T400-E404 WeakPolarHBondContact O-CG 3.27Å; T400-E404 PolarHBondContact O-N 3.28Å; Q401-E404 PolarHBondContact O-N 3.15Å; E404-F406 VanDerWaalsContact C-N 3.3Å; E404-F406 PolarHBondContact O-N 3.39Å; E404-S407 PolarHBondContact O-N 3.32Å; E404-S407 VanDerWaalsContact O-N 3.1Å; E404-S407 PolarHBondContact O-OG 3.34Å; E404-H408 PolarHBondContact O-CD2 3.36Å; E404-H408 PolarHBondContact O-N 3.23Å; E404-H408 VanDerWaalsContact O-N 3.07Å
405E96.7Very high97.1Very high80 Ų8083.9 Ų83.937%0.37444%0.436SS..Hα-helixtrans-57.5-41.6175.2-73.7-172-153.700112.9Q401 L402 S407 H408 L409 R421 I425Q401-E405 PolarHBondContact O-N 2.96Å; L402-E405 PolarHBondContact O-N 3.03Å; E405-S407 VanDerWaalsContact C-N 3.33Å; E405-S407 PolarHBondContact O-N 2.78Å; E405-H408 PolarHBondContact O-N 3.48Å; E405-L409 PolarHBondContact O-N 2.86Å; E405-R421 IonicContact OE2-CZ 3.36Å; E405-R421 IonicContact OE2-NH2 3.76Å; E405-R421 PolarHBondContact OE2-NH2 3.26Å; E405-I425 HydrophobicContact CB-CD1 4.2Å
406F97Very high97.1Very high67 Ų6788.4 Ų88.429%0.29446%0.46SS..Hα-helixtrans-61.1-43.2175.9-175.6-101.3000111.3L402 S403 E404 H408 L409 R422 I425 E426 L429L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 PolarHBondContact O-N 3.19Å; S403-F406 PolarHBondContact O-N 2.86Å; E404-F406 VanDerWaalsContact C-N 3.3Å; E404-F406 PolarHBondContact O-N 3.39Å; F406-H408 VanDerWaalsContact C-N 3.25Å; F406-H408 PolarHBondContact O-N 3.01Å; F406-L409 HydrophobicContact CD2-CD1 4.2Å; F406-L409 WeakPolarHBondContact O-CB 3.5Å; F406-L409 PolarHBondContact O-N 3.28Å; F406-R422 HydrophobicContact CE2-CG 3.87Å; F406-I425 HydrophobicContact CB-CG2 3.86Å; F406-I425 HydrophobicContact CD2-CG2 4.06Å; F406-I425 HydrophobicContact CG-CG2 4.42Å; F406-E426 HydrophobicContact CD2-CG 4.3Å; F406-E426 HydrophobicContact CE2-CG 3.63Å; F406-E426 WeakPolarHBondContact CE2-OE1 3.45Å; F406-E426 HydrophobicContact CZ-CG 4.38Å; F406-L429 HydrophobicContact CB-CD1 4.35Å; F406-L429 HydrophobicContact CG-CD1 4.47Å
407S96.5Very high97Very high84 Ų8495.5 Ų95.559%0.58748%0.481SS*.Hα-helixtrans-66.5-25.8178.879.20000113.4S403 E404 E405 L409S403-S407 PolarHBondContact O-N 3.48Å; E404-S407 PolarHBondContact O-N 3.32Å; E404-S407 VanDerWaalsContact O-N 3.1Å; E404-S407 PolarHBondContact O-OG 3.34Å; E405-S407 VanDerWaalsContact C-N 3.33Å; E405-S407 PolarHBondContact O-N 2.78Å; S407-L409 VanDerWaalsContact C-N 3.34Å
408H96.1Very high97Very high154 Ų15491.3 Ų91.371%0.71346%0.464SS*.THydrogen-bonded Turntrans-82.6-6.9176.8-70.6-49000114E404 E405 F406E404-H408 PolarHBondContact O-CD2 3.36Å; E404-H408 PolarHBondContact O-N 3.23Å; E404-H408 VanDerWaalsContact O-N 3.07Å; E405-H408 PolarHBondContact O-N 3.48Å; F406-H408 VanDerWaalsContact C-N 3.25Å; F406-H408 PolarHBondContact O-N 3.01Å
409L95.8Very high96.9Very high40 Ų4096 Ų9621%0.20948%0.476CS..SBendtrans-68.2141.3176.6-67.2177.4000111.2E405 F406 S407 V411 R421 R422 I425E405-L409 PolarHBondContact O-N 2.86Å; F406-L409 HydrophobicContact CD2-CD1 4.2Å; F406-L409 WeakPolarHBondContact O-CB 3.5Å; F406-L409 PolarHBondContact O-N 3.28Å; S407-L409 VanDerWaalsContact C-N 3.34Å; L409-V411 PolarHBondContact O-N 3.37Å; L409-R421 HydrophobicContact CD2-CG 4.09Å; L409-R422 HydrophobicContact CD1-CB 3.87Å; L409-R422 HydrophobicContact CD1-CG 4.08Å; L409-I425 HydrophobicContact CD1-CD1 4.09Å; L409-I425 HydrophobicContact CG-CD1 4.5Å
410P96.6Very high96.9Very high72 Ų7296.9 Ų96.947%0.46849%0.487SS..  trans-57.5138.9173.9-23.633.3000111.8R412 I418P410-R412 PolarHBondContact O-N 3Å; P410-I418 HydrophobicContact CG-CD1 4.19Å
411V95.3Very high96.9Very high143 Ų14397.3 Ų97.387%0.86748%0.481SS*.SBendtrans-60.2-34.5177.7-179.60000111.6L409L409-V411 PolarHBondContact O-N 3.37Å
412R96.4Very high96.8Very high192 Ų19296.5 Ų96.573%0.72547%0.474SS*.  trans-83.3134176-66.8-171.7178.41180.3111.3P410P410-R412 PolarHBondContact O-N 3Å
413M95.1Very high96.8Very high77 Ų7798 Ų9838%0.37949%0.49SS..  trans-112.743.2-175.5-62.8-173.5-72.100112.7I418 R419 R422M413-I418 HydrophobicContact CG-CG2 4.42Å; M413-R419 HydrophobicContact CB-CG 3.95Å; M413-R419 WeakPolarHBondContact O-CG 3.33Å; M413-R422 WeakPolarHBondContact SD-CD 3.32Å; M413-R422 PolarHBondContact SD-NH1 3.47Å
414D96.1Very high96.8Very high122 Ų12298.9 Ų98.965%0.65249%0.487SS*.  trans-73.1-35.1-169.8-55-29.8000112.3
415T97.3Very high96.9Very high71 Ų7193.5 Ų93.544%0.43646%0.462SS..SBendtrans-90.9144.7-177.8740000112.1R417 I418 R419T415-R417 PolarHBondContact O-N 3.46Å; T415-I418 PolarHBondContact O-N 2.88Å; T415-I418 WeakPolarHBondContact OG1-CD1 3.23Å; T415-I418 VanDerWaalsContact OG1-CG1 3.23Å; T415-I418 WeakPolarHBondContact OG1-CG1 3.47Å; T415-I418 PolarHBondContact OG1-N 3.24Å; T415-R419 PolarHBondContact O-N 3.42Å
416L97.3Very high96.9Very high122 Ų12293.7 Ų93.764%0.63946%0.463SS*.Hα-helixtrans-58.7-36.6175.8-132.5152000111.5I418 R419 S420L416-I418 PolarHBondContact O-N 3.38Å; L416-R419 PolarHBondContact O-N 2.67Å; L416-S420 WeakPolarHBondContact O-CB 3.43Å; L416-S420 PolarHBondContact O-N 3.05Å; L416-S420 PolarHBondContact O-OG 2.92Å; L416-S420 VanDerWaalsContact O-OG 3.1Å
417R97.3Very high97Very high218 Ų21893.7 Ų93.782%0.82347%0.472SS*.Hα-helixtrans-59.4-45.4176-177.2-179.7175.8-172.7-1.5112.8T415 R421T415-R417 PolarHBondContact O-N 3.46Å; R417-R421 WeakPolarHBondContact O-CB 3.5Å; R417-R421 PolarHBondContact O-N 3.4Å
418I97.3Very high97.1Very high39 Ų3994.8 Ų94.820%0.246%0.463CS..Hα-helixtrans-66-43.6178.7-67.4167.4000109.9P410 M413 T415 L416 R421 R422P410-I418 HydrophobicContact CG-CD1 4.19Å; M413-I418 HydrophobicContact CG-CG2 4.42Å; T415-I418 PolarHBondContact O-N 2.88Å; T415-I418 WeakPolarHBondContact OG1-CD1 3.23Å; T415-I418 VanDerWaalsContact OG1-CG1 3.23Å; T415-I418 WeakPolarHBondContact OG1-CG1 3.47Å; T415-I418 PolarHBondContact OG1-N 3.24Å; L416-I418 PolarHBondContact O-N 3.38Å; I418-R421 PolarHBondContact O-N 2.98Å; I418-R422 WeakPolarHBondContact O-CB 3.47Å; I418-R422 PolarHBondContact O-N 3.13Å
419R97.5Very high97.2Very high128 Ų12888.5 Ų88.548%0.48343%0.434SS..Hα-helixtrans-60.9-47177-70.8-173.2-70.1-143.8-1.3112.5M413 T415 L416 R422 A423M413-R419 HydrophobicContact CB-CG 3.95Å; M413-R419 WeakPolarHBondContact O-CG 3.33Å; T415-R419 PolarHBondContact O-N 3.42Å; L416-R419 PolarHBondContact O-N 2.67Å; R419-R422 PolarHBondContact O-N 3.49Å; R419-A423 WeakPolarHBondContact O-CB 3.17Å; R419-A423 PolarHBondContact O-N 3.46Å
420S97.5Very high97.3Very high67 Ų6787.6 Ų87.647%0.46944%0.435SS..Hα-helixtrans-63-43.7177.1-62.80000111.9L416 A423 E424L416-S420 WeakPolarHBondContact O-CB 3.43Å; L416-S420 PolarHBondContact O-N 3.05Å; L416-S420 PolarHBondContact O-OG 2.92Å; L416-S420 VanDerWaalsContact O-OG 3.1Å; S420-A423 PolarHBondContact O-N 3.33Å; S420-E424 WeakPolarHBondContact O-CB 3.41Å; S420-E424 PolarHBondContact O-N 2.97Å
421R97.6Very high97.3Very high82 Ų8289.8 Ų89.831%0.30944%0.439SS..Hα-helixtrans-64.3-41.7178.1-178.755.7178.4-1792.2112E405 L409 R417 I418 E424 I425E405-R421 IonicContact OE2-CZ 3.36Å; E405-R421 IonicContact OE2-NH2 3.76Å; E405-R421 PolarHBondContact OE2-NH2 3.26Å; L409-R421 HydrophobicContact CD2-CG 4.09Å; R417-R421 WeakPolarHBondContact O-CB 3.5Å; R417-R421 PolarHBondContact O-N 3.4Å; I418-R421 PolarHBondContact O-N 2.98Å; R421-E424 WeakPolarHBondContact CD-OE2 3.37Å; R421-E424 IonicContact CZ-OE2 3.79Å; R421-E424 VanDerWaalsContact NH1-CD 3.34Å; R421-E424 IonicContact NH1-OE1 3.98Å; R421-E424 PolarHBondContact NH1-OE1 3.02Å; R421-E424 IonicContact NH1-OE2 2.67Å; R421-E424 PolarHBondContact NH1-OE2 3.41Å; R421-E424 PolarHBondContact O-N 2.9Å; R421-I425 HydrophobicContact CG-CD1 4.07Å; R421-I425 WeakPolarHBondContact O-CG1 3.43Å; R421-I425 PolarHBondContact O-N 3.38Å; R421-I425 VanDerWaalsContact O-N 3.08Å
422R97.5Very high97.5Very high78 Ų7884.2 Ų84.229%0.29440%0.404SS..Hα-helixtrans-60.1-50.2175.7-175-179.3171.6145.64.8111.4F406 L409 M413 I418 R419 E424 I425 E426F406-R422 HydrophobicContact CE2-CG 3.87Å; L409-R422 HydrophobicContact CD1-CB 3.87Å; L409-R422 HydrophobicContact CD1-CG 4.08Å; M413-R422 WeakPolarHBondContact SD-CD 3.32Å; M413-R422 PolarHBondContact SD-NH1 3.47Å; I418-R422 WeakPolarHBondContact O-CB 3.47Å; I418-R422 PolarHBondContact O-N 3.13Å; R419-R422 PolarHBondContact O-N 3.49Å; R422-E424 VanDerWaalsContact C-N 3.3Å; R422-E424 PolarHBondContact O-N 2.85Å; R422-I425 PolarHBondContact O-N 3.15Å; R422-E426 HydrophobicContact CG-CG 4.4Å; R422-E426 IonicContact CZ-OE1 3.51Å; R422-E426 IonicContact NE-OE1 2.77Å; R422-E426 PolarHBondContact NE-OE1 2.67Å; R422-E426 IonicContact NH2-OE1 3.32Å; R422-E426 PolarHBondContact NH2-OE1 3.3Å; R422-E426 WeakPolarHBondContact O-CG 3.41Å; R422-E426 PolarHBondContact O-N 2.82Å
423A97.5Very high97.6Very high54 Ų5480.3 Ų80.345%0.44639%0.394SS..Hα-helixtrans-61.5-37.1179.100000112.6R419 S420 S427R419-A423 WeakPolarHBondContact O-CB 3.17Å; R419-A423 PolarHBondContact O-N 3.46Å; S420-A423 PolarHBondContact O-N 3.33Å; A423-S427 WeakPolarHBondContact O-CB 3.41Å; A423-S427 PolarHBondContact O-N 2.92Å
424E97.8Very high97.7Very high72 Ų7282.6 Ų82.634%0.33640%0.404SS..Hα-helixtrans-62.2-46.4174.4-175.1-168.7-17900111.8S420 R421 R422 R428S420-E424 WeakPolarHBondContact O-CB 3.41Å; S420-E424 PolarHBondContact O-N 2.97Å; R421-E424 WeakPolarHBondContact CD-OE2 3.37Å; R421-E424 IonicContact CZ-OE2 3.79Å; R421-E424 VanDerWaalsContact NH1-CD 3.34Å; R421-E424 IonicContact NH1-OE1 3.98Å; R421-E424 PolarHBondContact NH1-OE1 3.02Å; R421-E424 IonicContact NH1-OE2 2.67Å; R421-E424 PolarHBondContact NH1-OE2 3.41Å; R421-E424 PolarHBondContact O-N 2.9Å; R422-E424 VanDerWaalsContact C-N 3.3Å; R422-E424 PolarHBondContact O-N 2.85Å; E424-R428 WeakPolarHBondContact O-CG 3.47Å; E424-R428 PolarHBondContact O-N 3.01Å; E424-R428 VanDerWaalsContact O-N 3.13Å; E424-R428 IonicContact OE1-CZ 3.98Å; E424-R428 IonicContact OE1-NE 2.82Å; E424-R428 IonicContact OE1-NH1 3.83Å; E424-R428 IonicContact OE1-NH2 3.8Å; E424-R428 PolarHBondContact OE1-NH2 2.93Å
425I98.2Very high97.8Very high1 Ų177.9 Ų77.91%0.00538%0.381CS..Hα-helixtrans-67.3-43.5178.9-66.6166000110.8L402 E405 F406 L409 R421 R422 S427 R428 L429L402-I425 HydrophobicContact CB-CG2 4.42Å; E405-I425 HydrophobicContact CB-CD1 4.2Å; F406-I425 HydrophobicContact CB-CG2 3.86Å; F406-I425 HydrophobicContact CD2-CG2 4.06Å; F406-I425 HydrophobicContact CG-CG2 4.42Å; L409-I425 HydrophobicContact CD1-CD1 4.09Å; L409-I425 HydrophobicContact CG-CD1 4.5Å; R421-I425 HydrophobicContact CG-CD1 4.07Å; R421-I425 WeakPolarHBondContact O-CG1 3.43Å; R421-I425 PolarHBondContact O-N 3.38Å; R421-I425 VanDerWaalsContact O-N 3.08Å; R422-I425 PolarHBondContact O-N 3.15Å; I425-S427 PolarHBondContact O-N 3.39Å; I425-R428 PolarHBondContact O-N 3.35Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.25Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 WeakPolarHBondContact O-CG 3.49Å; I425-L429 PolarHBondContact O-N 2.9Å
426E97.7Very high97.8Very high84 Ų8476 Ų7639%0.39337%0.369SS..Hα-helixtrans-59.8-43.4176.7-73.5172.8172.800111.8F406 R422 R428 L429 G430F406-E426 HydrophobicContact CD2-CG 4.3Å; F406-E426 HydrophobicContact CE2-CG 3.63Å; F406-E426 WeakPolarHBondContact CE2-OE1 3.45Å; F406-E426 HydrophobicContact CZ-CG 4.38Å; R422-E426 HydrophobicContact CG-CG 4.4Å; R422-E426 IonicContact CZ-OE1 3.51Å; R422-E426 IonicContact NE-OE1 2.77Å; R422-E426 PolarHBondContact NE-OE1 2.67Å; R422-E426 IonicContact NH2-OE1 3.32Å; R422-E426 PolarHBondContact NH2-OE1 3.3Å; R422-E426 WeakPolarHBondContact O-CG 3.41Å; R422-E426 PolarHBondContact O-N 2.82Å; E426-R428 PolarHBondContact O-N 3.44Å; E426-L429 PolarHBondContact O-N 3.1Å; E426-G430 PolarHBondContact O-N 2.87Å
427S98.2Very high97.8Very high68 Ų6876 Ų7648%0.47637%0.365SS..Hα-helixtrans-59.7-46.9175.5-170.90000111.7A423 I425 G430 E431A423-S427 WeakPolarHBondContact O-CB 3.41Å; A423-S427 PolarHBondContact O-N 2.92Å; I425-S427 PolarHBondContact O-N 3.39Å; S427-G430 PolarHBondContact O-N 2.85Å; S427-E431 WeakPolarHBondContact O-CG 3.42Å; S427-E431 PolarHBondContact O-N 3.38Å
428R98.1Very high97.8Very high106 Ų10669.7 Ų69.740%0.435%0.347SS..Hα-helixtrans-67.9-37.6179.9-72.1-177.5-177.9166.99.3112.9L402 E424 I425 E426 G430 E431 L432L402-R428 HydrophobicContact CD1-CB 3.61Å; E424-R428 WeakPolarHBondContact O-CG 3.47Å; E424-R428 PolarHBondContact O-N 3.01Å; E424-R428 VanDerWaalsContact O-N 3.13Å; E424-R428 IonicContact OE1-CZ 3.98Å; E424-R428 IonicContact OE1-NE 2.82Å; E424-R428 IonicContact OE1-NH1 3.83Å; E424-R428 IonicContact OE1-NH2 3.8Å; E424-R428 PolarHBondContact OE1-NH2 2.93Å; I425-R428 PolarHBondContact O-N 3.35Å; E426-R428 PolarHBondContact O-N 3.44Å; R428-G430 VanDerWaalsContact C-N 3.33Å; R428-E431 PolarHBondContact O-N 2.9Å; R428-L432 WeakPolarHBondContact O-CG 3.5Å; R428-L432 PolarHBondContact O-N 3.37Å
429L98.3Very high97.8Very high22 Ų2269.7 Ų69.712%0.11535%0.346CS..Hα-helixtrans-60-45.8173.1-78.7170.7000110.3L402 F406 I425 E426 E431 L432 E433L402-L429 HydrophobicContact CB-CD2 3.84Å; L402-L429 HydrophobicContact CB-CG 4.21Å; F406-L429 HydrophobicContact CB-CD1 4.35Å; F406-L429 HydrophobicContact CG-CD1 4.47Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.25Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 WeakPolarHBondContact O-CG 3.49Å; I425-L429 PolarHBondContact O-N 2.9Å; E426-L429 PolarHBondContact O-N 3.1Å; L429-E431 VanDerWaalsContact C-N 3.34Å; L429-E431 PolarHBondContact O-N 3.42Å; L429-L432 PolarHBondContact O-N 2.95Å; L429-E433 WeakPolarHBondContact O-CB 3.44Å; L429-E433 WeakPolarHBondContact O-CG 3.33Å; L429-E433 PolarHBondContact O-N 3.41Å
430G98Very high97.8Very high21 Ų2166.7 Ų66.722%0.21635%0.345CS..Hα-helixtrans-62.1-36.3176.100000114E426 S427 R428 Q434E426-G430 PolarHBondContact O-N 2.87Å; S427-G430 PolarHBondContact O-N 2.85Å; R428-G430 VanDerWaalsContact C-N 3.33Å; G430-Q434 WeakPolarHBondContact O-CG 3.47Å; G430-Q434 PolarHBondContact O-N 3.48Å; G430-Q434 PolarHBondContact O-NE2 3.3Å
431E98.1Very high97.7Very high119 Ų11968.4 Ų68.456%0.55634%0.344SS*.Hα-helixtrans-66.2-43.6172.9-72.5169.9-155.500112.1S427 R428 L429 Q434 A435S427-E431 WeakPolarHBondContact O-CG 3.42Å; S427-E431 PolarHBondContact O-N 3.38Å; R428-E431 PolarHBondContact O-N 2.9Å; L429-E431 VanDerWaalsContact C-N 3.34Å; L429-E431 PolarHBondContact O-N 3.42Å; E431-Q434 PolarHBondContact O-N 3.08Å; E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.45Å
432L98.3Very high97.5Very high25 Ų2569.6 Ų69.613%0.13136%0.362CS..Hα-helixtrans-67.1-40.7178-72.8178.2000112.2L395 A398 H399 L402 R428 L429 Q434 A435 I436L395-L432 HydrophobicContact CD2-CD2 3.68Å; A398-L432 HydrophobicContact CB-CD1 3.98Å; A398-L432 HydrophobicContact CB-CD2 4.28Å; H399-L432 HydrophobicContact CB-CD1 4.19Å; L402-L432 HydrophobicContact CD1-CD1 3.77Å; R428-L432 WeakPolarHBondContact O-CG 3.5Å; R428-L432 PolarHBondContact O-N 3.37Å; L429-L432 PolarHBondContact O-N 2.95Å; L432-Q434 VanDerWaalsContact C-N 3.34Å; L432-Q434 PolarHBondContact O-N 3.01Å; L432-A435 PolarHBondContact O-N 3.26Å; L432-I436 WeakPolarHBondContact O-CB 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.23Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 3.07Å
433E98.2Very high97.3Very high110 Ų11069.9 Ų69.951%0.51437%0.365SS..Hα-helixtrans-59.2-45.2175.8-75.5174.1174.500111.2H399 L429 A435 I436 E437H399-E433 IonicContact NE2-OE1 2.95Å; L429-E433 WeakPolarHBondContact O-CB 3.44Å; L429-E433 WeakPolarHBondContact O-CG 3.33Å; L429-E433 PolarHBondContact O-N 3.41Å; E433-A435 PolarHBondContact O-N 3.5Å; E433-I436 PolarHBondContact O-N 2.67Å; E433-E437 WeakPolarHBondContact O-CB 3.37Å; E433-E437 PolarHBondContact O-N 3.2Å
434Q98.2Very high97.2Very high126 Ų12667.8 Ų67.859%0.58935%0.347SS*.Hα-helixtrans-62-42.8174.5-72.3172.647.400111.8G430 E431 L432 E437 I438G430-Q434 WeakPolarHBondContact O-CG 3.47Å; G430-Q434 PolarHBondContact O-N 3.48Å; G430-Q434 PolarHBondContact O-NE2 3.3Å; E431-Q434 PolarHBondContact O-N 3.08Å; L432-Q434 VanDerWaalsContact C-N 3.34Å; L432-Q434 PolarHBondContact O-N 3.01Å; Q434-E437 PolarHBondContact O-N 3.32Å; Q434-I438 VanDerWaalsContact O-CG1 3.29Å; Q434-I438 WeakPolarHBondContact O-CG1 3.46Å; Q434-I438 PolarHBondContact O-N 2.77Å
435A97.7Very high97Very high22 Ų2266.6 Ų66.618%0.18234%0.341CS..Hα-helixtrans-64.2-45.3177.200000111.5L395 E431 L432 E433 E437 I438 F439L395-A435 HydrophobicContact CD1-CB 3.84Å; L395-A435 HydrophobicContact CD2-CB 4.01Å; E431-A435 WeakPolarHBondContact O-CB 3.37Å; E431-A435 PolarHBondContact O-N 3.45Å; L432-A435 PolarHBondContact O-N 3.26Å; E433-A435 PolarHBondContact O-N 3.5Å; A435-E437 VanDerWaalsContact C-N 3.31Å; A435-E437 PolarHBondContact O-N 3.09Å; A435-I438 WeakPolarHBondContact O-CB 3.36Å; A435-I438 PolarHBondContact O-N 3.34Å; A435-I438 VanDerWaalsContact O-N 3.16Å; A435-F439 WeakPolarHBondContact O-CD2 3.23Å; A435-F439 PolarHBondContact O-N 3.2Å
436I98.1Very high96.8Very high32 Ų3269.8 Ų69.816%0.16436%0.357CS..Hα-helixtrans-60-43.4176-70.5165.3000110L392 L395 H399 L432 E433 I438 F439 S440L392-I436 HydrophobicContact CD1-CG2 4.1Å; L395-I436 HydrophobicContact CB-CD1 4.47Å; L395-I436 HydrophobicContact CB-CG1 3.79Å; H399-I436 HydrophobicContact CB-CD1 3.83Å; L432-I436 WeakPolarHBondContact O-CB 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.23Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 3.07Å; E433-I436 PolarHBondContact O-N 2.67Å; I436-I438 VanDerWaalsContact C-N 3.3Å; I436-I438 PolarHBondContact O-N 3.29Å; I436-F439 PolarHBondContact O-N 3.36Å; I436-S440 WeakPolarHBondContact O-CB 3.35Å; I436-S440 PolarHBondContact O-N 3.19Å; I436-S440 PolarHBondContact O-OG 3.25Å
437E97.8Very high96.7Very high122 Ų12272.9 Ų72.957%0.5737%0.369SS*.Hα-helixtrans-57.6-44.3175.8-169.1-168.8156.200111.2E433 Q434 A435 S440E433-E437 WeakPolarHBondContact O-CB 3.37Å; E433-E437 PolarHBondContact O-N 3.2Å; Q434-E437 PolarHBondContact O-N 3.32Å; A435-E437 VanDerWaalsContact C-N 3.31Å; A435-E437 PolarHBondContact O-N 3.09Å; E437-S440 PolarHBondContact O-OG 3.1Å
438I96.5Very high96.3Very high86 Ų8673.2 Ų73.244%0.44137%0.369SS..Hα-helixtrans-63.5-50177.2-66.5163.1000111Q434 A435 I436 S440 K441 V444Q434-I438 VanDerWaalsContact O-CG1 3.29Å; Q434-I438 WeakPolarHBondContact O-CG1 3.46Å; Q434-I438 PolarHBondContact O-N 2.77Å; A435-I438 WeakPolarHBondContact O-CB 3.36Å; A435-I438 PolarHBondContact O-N 3.34Å; A435-I438 VanDerWaalsContact O-N 3.16Å; I436-I438 VanDerWaalsContact C-N 3.3Å; I436-I438 PolarHBondContact O-N 3.29Å; I438-S440 PolarHBondContact O-N 3.22Å; I438-K441 WeakPolarHBondContact O-CB 3.39Å; I438-K441 PolarHBondContact O-N 3.31Å; I438-V444 HydrophobicContact CG2-CG1 4.26Å; I438-V444 WeakPolarHBondContact O-CG2 3.35Å
439F97.2Very high95.7Very high38 Ų3879.7 Ų79.717%0.16741%0.412CS..Hα-helixtrans-78.3-16.9-175.2-72.8-70.9000114.3M383 R388 T391 L392 L395 A435 I436 K441 V444M383-F439 HydrophobicContact CE-CD1 4.37Å; M383-F439 HydrophobicContact CE-CE1 3.46Å; M383-F439 VanDerWaalsContact CE-CE1 3.46Å; M383-F439 HydrophobicContact CE-CZ 4.16Å; M383-F439 HydrophobicContact SD-CD1 4.03Å; M383-F439 HydrophobicContact SD-CE1 3.64Å; R388-F439 HydrophobicContact CG-CD1 4.26Å; R388-F439 PolarHBondContact NH1-O 3Å; T391-F439 HydrophobicContact CG2-CD1 4.2Å; T391-F439 HydrophobicContact CG2-CD2 4.13Å; T391-F439 HydrophobicContact CG2-CE1 4.03Å; T391-F439 HydrophobicContact CG2-CE2 3.94Å; T391-F439 HydrophobicContact CG2-CG 4.26Å; T391-F439 HydrophobicContact CG2-CZ 3.9Å; L392-F439 HydrophobicContact CB-CB 4.36Å; L392-F439 HydrophobicContact CD1-CB 4.14Å; L395-F439 HydrophobicContact CD1-CB 4.38Å; L395-F439 HydrophobicContact CD1-CD2 3.35Å; L395-F439 HydrophobicContact CD1-CE2 3.96Å; L395-F439 HydrophobicContact CD1-CG 4.14Å; A435-F439 WeakPolarHBondContact O-CD2 3.23Å; A435-F439 PolarHBondContact O-N 3.2Å; I436-F439 PolarHBondContact O-N 3.36Å; F439-K441 PolarHBondContact O-N 3.42Å; F439-V444 HydrophobicContact CD1-CG1 4.07Å; F439-V444 HydrophobicContact CD1-CG2 4.25Å; F439-V444 HydrophobicContact CE1-CG1 3.87Å
440S97Very high95.5Very high66 Ų6682.6 Ų82.646%0.46243%0.427SS..Hα-helixtrans-65.1-28.1172.6730000112.2R388 I436 E437 I438R388-S440 PolarHBondContact NH1-O 3.32Å; I436-S440 WeakPolarHBondContact O-CB 3.35Å; I436-S440 PolarHBondContact O-N 3.19Å; I436-S440 PolarHBondContact O-OG 3.25Å; E437-S440 PolarHBondContact O-OG 3.1Å; I438-S440 PolarHBondContact O-N 3.22Å
441K95.4Very high95.4Very high103 Ų10385.8 Ų85.845%0.44844%0.438SS..SBendtrans-62.9143178.8-64174.5-175.6173.90111R388 I438 F439 K443R388-K441 VanDerWaalsContact CD-O 3.27Å; R388-K441 WeakPolarHBondContact CD-O 3.36Å; R388-K441 PolarHBondContact NH1-O 3.46Å; R388-K441 VanDerWaalsContact NH1-O 3.17Å; I438-K441 WeakPolarHBondContact O-CB 3.39Å; I438-K441 PolarHBondContact O-N 3.31Å; F439-K441 PolarHBondContact O-N 3.42Å; K441-K443 VanDerWaalsContact C-N 3.26Å; K441-K443 PolarHBondContact O-N 3.28Å
442P94.4Very high95.3Very high106 Ų10683.9 Ų83.969%0.68843%0.431SS*.SBendtrans-67.4-26.6-177.726.4-34.8000113.2
443K92.5Very high95.1Very high84 Ų8487.4 Ų87.437%0.36545%0.449SS..  trans-120121.9176.7-60.3-174.5-178.3-171.30109.1D373 K441D373-K443 IonicContact OD1-NZ 3.19Å; D373-K443 PolarHBondContact OD1-NZ 2.71Å; D373-K443 IonicContact OD2-NZ 3.52Å; K441-K443 VanDerWaalsContact C-N 3.26Å; K441-K443 PolarHBondContact O-N 3.28Å
444V95Very high94.9Very high11 Ų1186 Ų867%0.06745%0.445CS..  trans-124.7134.1176.5-177.80000108.2M383 R388 I438 F439M383-V444 HydrophobicContact CB-CB 4.31Å; M383-V444 PolarHBondContact N-O 3.04Å; R388-V444 HydrophobicContact CG-CG2 4.02Å; I438-V444 HydrophobicContact CG2-CG1 4.26Å; I438-V444 WeakPolarHBondContact O-CG2 3.35Å; F439-V444 HydrophobicContact CD1-CG1 4.07Å; F439-V444 HydrophobicContact CD1-CG2 4.25Å; F439-V444 HydrophobicContact CE1-CG1 3.87Å
445F94.6Very high94.7Very high47 Ų4783.3 Ų83.321%0.20644%0.435CS..EExtended strand (participates in β ladder)trans-112.3133178.4-59.6-73.3000109.5D373 D375 Q376 H380 Q381 R382D373-F445 HydrophobicContact CB-CE1 4.43Å; D373-F445 HydrophobicContact CB-CZ 4.22Å; D375-F445 HydrophobicContact CB-CE2 4.37Å; Q376-F445 HydrophobicContact CB-CD1 4.15Å; Q376-F445 HydrophobicContact CB-CE1 3.64Å; Q376-F445 HydrophobicContact CB-CZ 3.99Å; Q376-F445 HydrophobicContact CG-CD1 3.8Å; Q376-F445 HydrophobicContact CG-CE1 3.76Å; H380-F445 HydrophobicContact CB-CB 4.05Å; Q381-F445 CarbonylContact O-C 3.48Å; Q381-F445 WeakPolarHBondContact O-CA 3.17Å; R382-F445 HydrophobicContact CB-CD1 3.96Å; R382-F445 HydrophobicContact CB-CE1 3.9Å; R382-F445 HydrophobicContact CG-CE1 4.35Å
446I94.4Very high94.5Very high67 Ų6787.7 Ų87.734%0.34445%0.453SS..EExtended strand (participates in β ladder)trans-120.3146.8-179.3-39.8166.7000108.1H380 Q381 M383H380-I446 CarbonylContact C-O 3.44Å; H380-I446 VanDerWaalsContact CA-O 3.25Å; H380-I446 WeakPolarHBondContact CA-O 3.41Å; H380-I446 WeakPolarHBondContact CB-O 3.47Å; Q381-I446 PolarHBondContact N-O 3.08Å; Q381-I446 PolarHBondContact O-N 3.38Å; M383-I446 HydrophobicContact CB-CD1 3.75Å; M383-I446 HydrophobicContact CB-CG1 4.02Å; M383-I446 HydrophobicContact CE-CD1 3.16Å; M383-I446 HydrophobicContact CE-CG1 3.95Å; M383-I446 HydrophobicContact CG-CD1 3.75Å; M383-I446 HydrophobicContact CG-CG1 4.48Å; M383-I446 HydrophobicContact SD-CD1 4.1Å
447K94.6Very high94.2Very high150 Ų15092 Ų9265%0.65248%0.476SS*.  trans-79121.2167-170.5-179.2177-172.30108.7
448P89.6Confident93.9Very high74 Ų7489.5 Ų89.548%0.48147%0.468SS..  trans-64.5147172.529.4-32.3000110G379G379-P448 WeakPolarHBondContact O-CD 3.39Å
449D85.5Confident93.6Very high242 Ų24289.8 Ų89.8100%1.29447%0.47SS*.  trans-62.40-178.2-69.9-30.5000114.4

Retrieved 449 of 449 residues in 132.1 ms (Link to these results)