A0A3Q0KCI6_SCHMA Loading...

Putative nk homeobox protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 485 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
1M42.5Very low43.7Very low245 Ų245164.5 Ų164.5100%1.20785%0.85SS**  0105.50-86.5-176.2170.900108.4
2Q50.4Low43.7Very low203 Ų203161.4 Ų161.495%0.94985%0.848SS**  trans159.7101.3151.4-90.4-175.421.300106.3
3L33.2Very low43.7Very low142 Ų142153.8 Ų153.874%0.74383%0.832SS**  trans-89.5169168.1-82.2167.3000108.9
4Y40.2Very low43.8Very low211 Ų211152.5 Ų152.583%0.82783%0.832SS**  trans83.7131.9169.3-50.2-76.8000113.2
5T50.4Low43.7Very low130 Ų130153.1 Ų153.180%0.79883%0.832SS**  cis-153.314336.743.70000111.8
6V41.6Very low43.8Very low126 Ų126151.2 Ų151.276%0.76483%0.827SS**  trans-77.1136.2168-176.50000109.1
7N51Low43.9Very low168 Ų168148.6 Ų148.690%0.89882%0.817SS**  trans-128.2118.4160.3-107.11.5000108.9
8S38.4Very low44.3Very low109 Ų109146.5 Ų146.576%0.76281%0.812SS**  trans-102.4125.8175.9-65.30000110
9S45.6Very low44.3Very low107 Ų107145.4 Ų145.475%0.74881%0.809SS**  trans-161.9100149.163.20000107.7
10N43.9Very low44.4Very low148 Ų148145.4 Ų145.479%0.79181%0.806SS**  45.897.299.4-77.9-26.6000113.7
11Y43.2Very low44.6Very low221 Ų221145 Ų14587%0.86780%0.801SS**  175.9143.5115-92.7-75.2000107.8G13Y11-G13 PolarHBondContact O-N 2.86Å
12P43.9Very low44.7Very low127 Ų127138.5 Ų138.583%0.82578%0.777SS**  trans-82.7108.8-164.232.3-29.6000110.6
13G44.3Very low44.4Very low62 Ų62133.7 Ų133.764%0.63977%0.766SS**  trans-82129.8172.600000111.4Y11 I15Y11-G13 PolarHBondContact O-N 2.86Å; G13-I15 PolarHBondContact O-N 3.29Å; G13-I15 VanDerWaalsContact O-N 3.14Å
14T44.5Very low45.1Very low136 Ų136132.2 Ų132.283%0.83477%0.768SS**  trans-37.8107164.329.50000112.8T16T14-T16 PolarHBondContact O-N 2.92Å; T14-T16 VanDerWaalsContact O-N 3.08Å
15I41.6Very low45.3Very low161 Ų161129.5 Ų129.583%0.82677%0.767SS**  trans-79.493.4167.1-59.9177.5000107G13 T17G13-I15 PolarHBondContact O-N 3.29Å; G13-I15 VanDerWaalsContact O-N 3.14Å; I15-T17 PolarHBondContact O-N 3.32Å
16T46Very low45.4Very low123 Ų123132.2 Ų132.276%0.75577%0.771SS**PPolyproline II helixtrans-66.6117.3162.8-67.10000107.4T14T14-T16 PolarHBondContact O-N 2.92Å; T14-T16 VanDerWaalsContact O-N 3.08Å
17T44.8Very low45.5Very low108 Ų108133.3 Ų133.366%0.66377%0.771SS**PPolyproline II helixtrans-63.1134.5174.835.10000110.3I15 V19I15-T17 PolarHBondContact O-N 3.32Å; T17-V19 PolarHBondContact O-N 3.36Å
18P51.1Low45.1Very low110 Ų110135 Ų13571%0.71477%0.767SS**PPolyproline II helixtrans-68.1124.3165.528.1-30.6000108.5I20P18-I20 PolarHBondContact O-N 3.27Å
19V44.6Very low46.1Very low126 Ų126135.2 Ų135.276%0.76476%0.763SS**  trans-67.499.9170.7176.70000107.6T17 I21T17-V19 PolarHBondContact O-N 3.36Å; V19-I21 HydrophobicContact CG1-CG1 4.01Å; V19-I21 PolarHBondContact O-N 3.02Å
20I45.9Very low46.4Very low144 Ų144133.4 Ų133.474%0.73875%0.749SS**  trans-81.5102.4168.6-61.8175.6000106.5P18 P22P18-I20 PolarHBondContact O-N 3.27Å; I20-P22 WeakPolarHBondContact O-CD 3.24Å
21I48.8Very low47Very low137 Ų137129.8 Ų129.870%0.70373%0.734SS**  trans-73.3116.9169.7-57.8173.2000106.5V19 S23V19-I21 HydrophobicContact CG1-CG1 4.01Å; V19-I21 PolarHBondContact O-N 3.02Å; I21-S23 PolarHBondContact O-N 2.94Å; I21-S23 VanDerWaalsContact O-N 3.14Å
22P45.4Very low47.8Very low110 Ų110128 Ų12871%0.71473%0.73SS**  trans-70.4112.8171.527.4-28.6000108.1I20 S24I20-P22 WeakPolarHBondContact O-CD 3.24Å; P22-S24 PolarHBondContact O-N 3.41Å
23S44.7Very low48.3Very low101 Ų101129 Ų12971%0.70672%0.724SS**  trans-50.8130.1168.5-78.70000110I21 N25I21-S23 PolarHBondContact O-N 2.94Å; I21-S23 VanDerWaalsContact O-N 3.14Å; S23-N25 PolarHBondContact O-N 3.34Å
24S46.9Very low48.5Very low112 Ų112128.7 Ų128.778%0.78371%0.711SS**  trans-20102.1166.944.20000114.3P22 H26P22-S24 PolarHBondContact O-N 3.41Å; S24-H26 PolarHBondContact O-N 3.41Å; S24-H26 VanDerWaalsContact O-N 3.09Å
25N44.4Very low49Very low153 Ų153128.1 Ų128.182%0.81870%0.699SS**  trans-66.6106.3163.5-77.6-27.2000107.7S23 L27S23-N25 PolarHBondContact O-N 3.34Å; N25-L27 PolarHBondContact O-N 2.91Å
26H53.1Low50.3Low188 Ų188122 Ų12287%0.8768%0.676SS**  trans-51.6106.1164.8-119.9-77.6000107.9S24 Y28S24-H26 PolarHBondContact O-N 3.41Å; S24-H26 VanDerWaalsContact O-N 3.09Å; H26-Y28 PolarHBondContact O-N 2.97Å
27L43.7Very low51.6Low149 Ų149125.2 Ų125.278%0.7867%0.674SS**  trans-60.6110.7171.5-136.978.2000106.6N25 T29N25-L27 PolarHBondContact O-N 2.91Å; L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 2.93Å
28Y43.2Very low52.9Low203 Ų203125 Ų12580%0.79667%0.668SS**  trans-66.892.3172-167.2-90.7000107.4H26 P30H26-Y28 PolarHBondContact O-N 2.97Å; Y28-P30 WeakPolarHBondContact O-CD 3.35Å
29T58.3Low54.1Low113 Ų113126.4 Ų126.469%0.69366%0.66SS**  trans-71.9115.6168.851.10000107.4L27L27-T29 VanDerWaalsContact C-N 3.29Å; L27-T29 PolarHBondContact O-N 2.93Å
30P52.3Low55.7Low69 Ų69125.6 Ų125.645%0.44865%0.651SS.*  trans-60148177.524.6-31.5000109.8Y28 K32 C34Y28-P30 WeakPolarHBondContact O-CD 3.35Å; P30-K32 PolarHBondContact O-N 3.19Å; P30-C34 HydrophobicContact CB-CB 4.5Å
31P57.2Low57.3Low73 Ų73127.6 Ų127.647%0.47465%0.65SS.*  trans-54.4137177.3-19.229000109.9E33 C34P31-E33 PolarHBondContact O-N 3Å; P31-C34 WeakPolarHBondContact O-CB 3.46Å; P31-C34 PolarHBondContact O-N 2.8Å
32K58.4Low58.7Low183 Ų183126.8 Ų126.880%0.79664%0.643SS**Hα-helixtrans-56.1-14.5-177.4-65.6-153.6175.3-169.30114.5P30 C34P30-K32 PolarHBondContact O-N 3.19Å; K32-C34 VanDerWaalsContact C-N 3.3Å; K32-C34 PolarHBondContact O-N 2.97Å
33E56Low60.3Low149 Ų149124.2 Ų124.270%0.69662%0.621SS**Hα-helixtrans-68-24.5171.5-73.4-171.9147.800114.1P31 R37P31-E33 PolarHBondContact O-N 3Å; E33-R37 PolarHBondContact O-N 3.3Å
34C48.4Very low62Low54 Ų54124.3 Ų124.337%0.36561%0.614SS.*Hα-helixtrans-73.3-39.8178.8-58.10000111.9P30 P31 K32 G36 R37 I38P30-C34 HydrophobicContact CB-CB 4.5Å; P31-C34 WeakPolarHBondContact O-CB 3.46Å; P31-C34 PolarHBondContact O-N 2.8Å; K32-C34 VanDerWaalsContact C-N 3.3Å; K32-C34 PolarHBondContact O-N 2.97Å; C34-G36 VanDerWaalsContact C-N 3.33Å; C34-G36 PolarHBondContact O-N 3.15Å; C34-R37 PolarHBondContact O-N 3.48Å; C34-I38 WeakPolarHBondContact O-CG1 3.33Å; C34-I38 PolarHBondContact O-N 3.15Å
35E55.1Low63.6Low124 Ų124123.4 Ų123.458%0.57960%0.599SS**Hα-helixtrans-63.3-40.5178.1-67.4-172.415500111.3R37 I38 Y39E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.07Å; E35-I38 PolarHBondContact O-N 3.38Å; E35-Y39 WeakPolarHBondContact O-CB 3.46Å; E35-Y39 PolarHBondContact O-N 2.89Å
36G69Low65.6Low33 Ų33121.6 Ų121.634%0.3458%0.584SS.*Hα-helixtrans-60.9-38.8175.300000113.2C34 N40C34-G36 VanDerWaalsContact C-N 3.33Å; C34-G36 PolarHBondContact O-N 3.15Å; G36-N40 VanDerWaalsContact O-CB 3.29Å; G36-N40 WeakPolarHBondContact O-CB 3.36Å; G36-N40 PolarHBondContact O-N 3.49Å; G36-N40 PolarHBondContact O-ND2 3.27Å
37R71.9Confident67.1Low191 Ų191116.7 Ų116.772%0.72156%0.564SS**Hα-helixtrans-71.4-38.5176.4-66.9-172.5-165.6-155.65.3112.3E33 C34 E35 R41E33-R37 PolarHBondContact O-N 3.3Å; C34-R37 PolarHBondContact O-N 3.48Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.07Å; R37-R41 WeakPolarHBondContact O-CB 3.32Å; R37-R41 PolarHBondContact O-N 3.34Å
38I73.4Confident68.9Low102 Ų102113.7 Ų113.752%0.52355%0.549SS..Hα-helixtrans-67.9-43.1177.5-68166.8000110.3C34 E35 R41 Q42C34-I38 WeakPolarHBondContact O-CG1 3.33Å; C34-I38 PolarHBondContact O-N 3.15Å; E35-I38 PolarHBondContact O-N 3.38Å; I38-R41 PolarHBondContact O-N 3.22Å; I38-Q42 VanDerWaalsContact CG2-NE2 3.29Å; I38-Q42 WeakPolarHBondContact O-CB 3.31Å; I38-Q42 WeakPolarHBondContact O-CG 3.41Å; I38-Q42 PolarHBondContact O-N 2.84Å; I38-Q42 PolarHBondContact O-NE2 3.27Å
39Y76.3Confident70.8Confident140 Ų140108 Ų10855%0.54953%0.532SS..Hα-helixtrans-63.2-47.1174.7-177-100.7000111.7E35 R41 Q42 Q43E35-Y39 WeakPolarHBondContact O-CB 3.46Å; E35-Y39 PolarHBondContact O-N 2.89Å; Y39-R41 VanDerWaalsContact C-N 3.32Å; Y39-R41 PolarHBondContact O-N 3.47Å; Y39-Q42 PolarHBondContact O-N 3.46Å; Y39-Q43 HydrophobicContact CD1-CG 4.07Å; Y39-Q43 HydrophobicContact CD2-CG 4.49Å; Y39-Q43 HydrophobicContact CE1-CG 3.74Å; Y39-Q43 HydrophobicContact CE2-CG 4.17Å; Y39-Q43 HydrophobicContact CG-CG 4.44Å; Y39-Q43 VanDerWaalsContact CZ-NE2 3.33Å; Y39-Q43 WeakPolarHBondContact O-CG 3.41Å; Y39-Q43 PolarHBondContact O-N 3.4Å; Y39-Q43 PolarHBondContact OH-NE2 2.78Å
40N77.1Confident72Confident109 Ų109105.6 Ų105.658%0.58352%0.515SS*.Hα-helixtrans-61.7-38.8176.2-83.6-45.1000112.5G36 Q43 N44G36-N40 VanDerWaalsContact O-CB 3.29Å; G36-N40 WeakPolarHBondContact O-CB 3.36Å; G36-N40 PolarHBondContact O-N 3.49Å; G36-N40 PolarHBondContact O-ND2 3.27Å; N40-Q43 PolarHBondContact O-N 3.37Å; N40-N44 VanDerWaalsContact O-CB 3.32Å; N40-N44 WeakPolarHBondContact O-CB 3.38Å; N40-N44 PolarHBondContact O-N 3.28Å
41R79.7Confident73.4Confident187 Ų187108.7 Ų108.771%0.70652%0.517SS*.Hα-helixtrans-63.7-45.3174.1-177.9-179.1-74.3-148.9-0.9111.3R37 I38 Y39 N44 I45R37-R41 WeakPolarHBondContact O-CB 3.32Å; R37-R41 PolarHBondContact O-N 3.34Å; I38-R41 PolarHBondContact O-N 3.22Å; Y39-R41 VanDerWaalsContact C-N 3.32Å; Y39-R41 PolarHBondContact O-N 3.47Å; R41-N44 PolarHBondContact O-N 2.85Å; R41-I45 HydrophobicContact CG-CD1 4.01Å; R41-I45 VanDerWaalsContact O-CG1 3.27Å; R41-I45 WeakPolarHBondContact O-CG1 3.35Å; R41-I45 PolarHBondContact O-N 3.5Å
42Q78.3Confident74.4Confident119 Ų119111.2 Ų111.256%0.55652%0.523SS*.Hα-helixtrans-62.5-43.7177.5-75.3177.88800111.8I38 Y39 N44 I45 K46I38-Q42 VanDerWaalsContact CG2-NE2 3.29Å; I38-Q42 WeakPolarHBondContact O-CB 3.31Å; I38-Q42 WeakPolarHBondContact O-CG 3.41Å; I38-Q42 PolarHBondContact O-N 2.84Å; I38-Q42 PolarHBondContact O-NE2 3.27Å; Y39-Q42 PolarHBondContact O-N 3.46Å; Q42-N44 PolarHBondContact O-N 2.95Å; Q42-I45 PolarHBondContact O-N 3.03Å; Q42-K46 WeakPolarHBondContact O-CB 3.33Å; Q42-K46 PolarHBondContact O-N 3.18Å
43Q78.5Confident75.2Confident57 Ų57106.8 Ų106.827%0.26651%0.507SS..Hα-helixtrans-67.1-36177.2-67.2-6840.300112.5Y39 N40 K46 N47Y39-Q43 HydrophobicContact CD1-CG 4.07Å; Y39-Q43 HydrophobicContact CD2-CG 4.49Å; Y39-Q43 HydrophobicContact CE1-CG 3.74Å; Y39-Q43 HydrophobicContact CE2-CG 4.17Å; Y39-Q43 HydrophobicContact CG-CG 4.44Å; Y39-Q43 VanDerWaalsContact CZ-NE2 3.33Å; Y39-Q43 WeakPolarHBondContact O-CG 3.41Å; Y39-Q43 PolarHBondContact O-N 3.4Å; Y39-Q43 PolarHBondContact OH-NE2 2.78Å; N40-Q43 PolarHBondContact O-N 3.37Å; Q43-K46 PolarHBondContact O-N 3.38Å; Q43-N47 VanDerWaalsContact O-CB 3.32Å; Q43-N47 WeakPolarHBondContact O-CB 3.29Å; Q43-N47 PolarHBondContact O-N 2.87Å; Q43-N47 PolarHBondContact O-ND2 2.83Å
44N80.5Confident76.2Confident102 Ų102106.5 Ų106.555%0.54550%0.503SS..Hα-helixtrans-69-36175.5-153.9-4000111.8N40 R41 Q42 N48N40-N44 VanDerWaalsContact O-CB 3.32Å; N40-N44 WeakPolarHBondContact O-CB 3.38Å; N40-N44 PolarHBondContact O-N 3.28Å; R41-N44 PolarHBondContact O-N 2.85Å; Q42-N44 PolarHBondContact O-N 2.95Å; N44-N48 WeakPolarHBondContact O-CB 3.28Å; N44-N48 PolarHBondContact O-N 2.84Å
45I81.6Confident77.1Confident93 Ų93109.4 Ų109.448%0.47752%0.515SS..Hα-helixtrans-63.9-47.7171.2-68.5165.1000110.2R41 Q42 N47 N48 I49R41-I45 HydrophobicContact CG-CD1 4.01Å; R41-I45 VanDerWaalsContact O-CG1 3.27Å; R41-I45 WeakPolarHBondContact O-CG1 3.35Å; R41-I45 PolarHBondContact O-N 3.5Å; Q42-I45 PolarHBondContact O-N 3.03Å; I45-N47 PolarHBondContact O-N 3.36Å; I45-N48 PolarHBondContact O-N 3.5Å; I45-N48 VanDerWaalsContact O-N 3.16Å; I45-I49 HydrophobicContact CG2-CD1 3.81Å; I45-I49 WeakPolarHBondContact O-CG1 3.47Å; I45-I49 PolarHBondContact O-N 3.36Å
46K85.4Confident77.7Confident116 Ų116107 Ų10750%0.50451%0.509SS..Hα-helixtrans-57.6-50176.6-172.8179.9177.8-175.90111.6Q42 Q43 N48 I49 D50Q42-K46 WeakPolarHBondContact O-CB 3.33Å; Q42-K46 PolarHBondContact O-N 3.18Å; Q43-K46 PolarHBondContact O-N 3.38Å; K46-N48 VanDerWaalsContact C-N 3.25Å; K46-N48 PolarHBondContact O-N 2.92Å; K46-I49 PolarHBondContact O-N 2.94Å; K46-I49 VanDerWaalsContact O-N 3.17Å; K46-D50 VanDerWaalsContact O-CG 3.3Å; K46-D50 PolarHBondContact O-N 3.31Å
47N84.6Confident77.3Confident85 Ų85109.6 Ų109.646%0.45552%0.519SS..Hα-helixtrans-65.2-25177.9-68.9-17000113.5Q43 I45 R51Q43-N47 VanDerWaalsContact O-CB 3.32Å; Q43-N47 WeakPolarHBondContact O-CB 3.29Å; Q43-N47 PolarHBondContact O-N 2.87Å; Q43-N47 PolarHBondContact O-ND2 2.83Å; I45-N47 PolarHBondContact O-N 3.36Å; N47-R51 WeakPolarHBondContact O-CB 3.48Å; N47-R51 WeakPolarHBondContact O-CG 3.32Å; N47-R51 PolarHBondContact O-N 3.29Å; N47-R51 PolarHBondContact O-NE 3.49Å
48N82.5Confident76.5Confident86 Ų86104.9 Ų104.946%0.4651%0.514SS..Hα-helixtrans-76-43.6173.4-165.820.3000110.9N44 I45 K46 R51 E52N44-N48 WeakPolarHBondContact O-CB 3.28Å; N44-N48 PolarHBondContact O-N 2.84Å; I45-N48 PolarHBondContact O-N 3.5Å; I45-N48 VanDerWaalsContact O-N 3.16Å; K46-N48 VanDerWaalsContact C-N 3.25Å; K46-N48 PolarHBondContact O-N 2.92Å; N48-R51 PolarHBondContact O-N 2.99Å; N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 2.98Å
49I83Confident75.5Confident83 Ų83103.3 Ų103.343%0.42652%0.517SS..Hα-helixtrans-61.6-45.7174.3-65.7165.9000110.2I45 K46 R51 E52 I53I45-I49 HydrophobicContact CG2-CD1 3.81Å; I45-I49 WeakPolarHBondContact O-CG1 3.47Å; I45-I49 PolarHBondContact O-N 3.36Å; K46-I49 PolarHBondContact O-N 2.94Å; K46-I49 VanDerWaalsContact O-N 3.17Å; I49-R51 VanDerWaalsContact C-N 3.29Å; I49-R51 PolarHBondContact O-N 2.84Å; I49-E52 PolarHBondContact O-N 3.26Å; I49-E52 VanDerWaalsContact O-N 3.13Å; I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.34Å; I49-I53 WeakPolarHBondContact O-CG1 3.36Å; I49-I53 PolarHBondContact O-N 2.97Å
50D83Confident74.3Confident63 Ų63102.4 Ų102.434%0.33752%0.522SS..Hα-helixtrans-63.4-34.5178.9-68.2-22.8000112.2K46 K54K46-D50 VanDerWaalsContact O-CG 3.3Å; K46-D50 PolarHBondContact O-N 3.31Å; D50-K54 WeakPolarHBondContact O-CB 3.46Å; D50-K54 VanDerWaalsContact O-CG 3.24Å; D50-K54 WeakPolarHBondContact O-CG 3.33Å; D50-K54 PolarHBondContact O-N 3.16Å
51R80.9Confident72.9Confident133 Ų133101.3 Ų101.350%0.50252%0.523SS..Hα-helixtrans-70.4-39.8172.7-81.5-177.9-71.4148.9-5.6112.1N47 N48 I49 I53 K54 N55N47-R51 WeakPolarHBondContact O-CB 3.48Å; N47-R51 WeakPolarHBondContact O-CG 3.32Å; N47-R51 PolarHBondContact O-N 3.29Å; N47-R51 PolarHBondContact O-NE 3.49Å; N48-R51 PolarHBondContact O-N 2.99Å; I49-R51 VanDerWaalsContact C-N 3.29Å; I49-R51 PolarHBondContact O-N 2.84Å; R51-I53 VanDerWaalsContact C-N 3.35Å; R51-K54 PolarHBondContact O-N 2.83Å; R51-N55 VanDerWaalsContact O-CB 3.31Å; R51-N55 WeakPolarHBondContact O-CB 3.34Å; R51-N55 PolarHBondContact O-N 3.17Å; R51-N55 PolarHBondContact O-ND2 2.79Å
52E78.8Confident71.2Confident126 Ų12697.3 Ų97.359%0.58952%0.523SS*.Hα-helixtrans-66.7-38.3177.1-161.8166.3-164.200111N48 I49 T56N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 2.98Å; I49-E52 PolarHBondContact O-N 3.26Å; I49-E52 VanDerWaalsContact O-N 3.13Å; E52-T56 WeakPolarHBondContact O-CB 3.4Å; E52-T56 VanDerWaalsContact O-CG2 3.26Å; E52-T56 WeakPolarHBondContact O-CG2 3.46Å; E52-T56 PolarHBondContact O-N 3.22Å; E52-T56 PolarHBondContact O-OG1 2.88Å
53I75.5Confident69.5Low90 Ų9098.6 Ų98.646%0.46253%0.534SS..Hα-helixtrans-65.4-50171.9-65.2169000110.3I49 R51 N55 T56 T57I49-I53 HydrophobicContact CG2-CD1 3.76Å; I49-I53 HydrophobicContact CG2-CG1 4.34Å; I49-I53 WeakPolarHBondContact O-CG1 3.36Å; I49-I53 PolarHBondContact O-N 2.97Å; R51-I53 VanDerWaalsContact C-N 3.35Å; I53-N55 VanDerWaalsContact C-N 3.31Å; I53-N55 PolarHBondContact O-N 2.92Å; I53-T56 WeakPolarHBondContact CA-OG1 3.43Å; I53-T56 PolarHBondContact O-N 3.44Å; I53-T56 PolarHBondContact O-OG1 3.3Å; I53-T57 WeakPolarHBondContact O-CB 3.37Å; I53-T57 PolarHBondContact O-N 3.44Å; I53-T57 PolarHBondContact O-OG1 3.25Å
54K77.3Confident67.8Low144 Ų144102.3 Ų102.363%0.62656%0.556SS**Hα-helixtrans-60.4-37.6178.9-75.4174.4-177.5-177.90113.3D50 R51 S58D50-K54 WeakPolarHBondContact O-CB 3.46Å; D50-K54 VanDerWaalsContact O-CG 3.24Å; D50-K54 WeakPolarHBondContact O-CG 3.33Å; D50-K54 PolarHBondContact O-N 3.16Å; R51-K54 PolarHBondContact O-N 2.83Å; K54-S58 WeakPolarHBondContact O-CB 3.34Å; K54-S58 PolarHBondContact O-N 2.93Å; K54-S58 PolarHBondContact O-OG 3.37Å
55N67.5Low66Low115 Ų115104.9 Ų104.962%0.61557%0.57SS**Hα-helixtrans-71.5-38.1177.1-70.6-10.9000112R51 I53 A59R51-N55 VanDerWaalsContact O-CB 3.31Å; R51-N55 WeakPolarHBondContact O-CB 3.34Å; R51-N55 PolarHBondContact O-N 3.17Å; R51-N55 PolarHBondContact O-ND2 2.79Å; I53-N55 VanDerWaalsContact C-N 3.31Å; I53-N55 PolarHBondContact O-N 2.92Å; N55-A59 VanDerWaalsContact O-CB 3.28Å; N55-A59 WeakPolarHBondContact O-CB 3.26Å; N55-A59 PolarHBondContact O-N 3.13Å
56T66.9Low64.6Low74 Ų74108.3 Ų108.345%0.45459%0.587SS.*Hα-helixtrans-74.8-34.3176.7520000112.4E52 I53 A59 N60E52-T56 WeakPolarHBondContact O-CB 3.4Å; E52-T56 VanDerWaalsContact O-CG2 3.26Å; E52-T56 WeakPolarHBondContact O-CG2 3.46Å; E52-T56 PolarHBondContact O-N 3.22Å; E52-T56 PolarHBondContact O-OG1 2.88Å; I53-T56 WeakPolarHBondContact CA-OG1 3.43Å; I53-T56 PolarHBondContact O-N 3.44Å; I53-T56 PolarHBondContact O-OG1 3.3Å; T56-A59 PolarHBondContact O-N 3.38Å; T56-N60 WeakPolarHBondContact O-CB 3.32Å; T56-N60 PolarHBondContact O-N 2.94Å; T56-N60 VanDerWaalsContact O-N 3.15Å; T56-N60 PolarHBondContact O-ND2 2.87Å
57T61.1Low62.5Low87 Ų87110.5 Ų110.553%0.53460%0.604SS.*Hα-helixtrans-69.7-39.5173-52.70000111.7I53 A59 N60 S61I53-T57 WeakPolarHBondContact O-CB 3.37Å; I53-T57 PolarHBondContact O-N 3.44Å; I53-T57 PolarHBondContact O-OG1 3.25Å; T57-A59 VanDerWaalsContact C-N 3.33Å; T57-A59 PolarHBondContact O-N 3.05Å; T57-N60 PolarHBondContact O-N 3.39Å; T57-S61 PolarHBondContact O-N 3.1Å
58S55Low60.9Low91 Ų91115.9 Ų115.964%0.63662%0.624SS**Hα-helixtrans-71.7-26.6176-56.40000112.9K54K54-S58 WeakPolarHBondContact O-CB 3.34Å; K54-S58 PolarHBondContact O-N 2.93Å; K54-S58 PolarHBondContact O-OG 3.37Å
59A51.9Low59.1Low70 Ų70122 Ų12258%0.57964%0.642SS**Hα-helixtrans-79.8-21.2175.400000113.5N55 T56 T57N55-A59 VanDerWaalsContact O-CB 3.28Å; N55-A59 WeakPolarHBondContact O-CB 3.26Å; N55-A59 PolarHBondContact O-N 3.13Å; T56-A59 PolarHBondContact O-N 3.38Å; T57-A59 VanDerWaalsContact C-N 3.33Å; T57-A59 PolarHBondContact O-N 3.05Å
60N50.4Low57.7Low121 Ų121124.9 Ų124.965%0.64766%0.663SS**Hα-helixtrans-103-3.4-176.2-67.8-14.8000114.1T56 T57T56-N60 WeakPolarHBondContact O-CB 3.32Å; T56-N60 PolarHBondContact O-N 2.94Å; T56-N60 VanDerWaalsContact O-N 3.15Å; T56-N60 PolarHBondContact O-ND2 2.87Å; T57-N60 PolarHBondContact O-N 3.39Å
61S48.4Very low55.9Low86 Ų86128.6 Ų128.660%0.60168%0.683SS**THydrogen-bonded Turntrans-90.86.7-177-165.50000115T57T57-S61 PolarHBondContact O-N 3.1Å
62S45Very low54.6Low103 Ų103131.1 Ų131.172%0.7270%0.7SS**THydrogen-bonded Turntrans-110.713.2-176.9-640000115.3
63N42.6Very low53.2Low145 Ų145132.1 Ų132.178%0.77571%0.71SS**  trans-116.89.3179.8-74.9-19.7000115.2N65N63-N65 PolarHBondContact O-N 3.44Å
64D42.2Very low52Low136 Ų136135.5 Ų135.573%0.72773%0.725SS**  trans-95.171.7175.8-63.3-25000110.1
65N43.1Very low50.8Low156 Ų156133.1 Ų133.183%0.83473%0.727SS**  trans-168.272.3166.6-88.2-40.5000110.8N63N63-N65 PolarHBondContact O-N 3.44Å
66I50.8Low49.7Very low165 Ų165134.5 Ų134.585%0.84673%0.734SS**  trans-168.589.1153.6-107.2149000107
67D43Very low48.8Very low161 Ų161138.8 Ų138.886%0.86175%0.753SS**  trans-17193.8153.2-110.2-13.2000109.1
68K51.1Low48.1Very low199 Ų199142.3 Ų142.387%0.86576%0.763SS**  trans-177.4133.1152-107.3171.3-176.2-176.50110.6
69Y42.9Very low47.5Very low213 Ų213145.2 Ų145.284%0.83577%0.772SS**  trans71.6102.2170.2-92.6-98.1000116.5
70V53.5Low46.9Very low145 Ų145147.3 Ų147.388%0.87978%0.782SS**  -158.912098.8-133.10000108.4
71D45.7Very low46.7Very low141 Ų141146.9 Ų146.975%0.75479%0.786SS**  trans-72.5164158.9-72.1-58.7000109.5
72E54.8Low46.4Very low186 Ų186152.7 Ų152.787%0.86980%0.8SS**  trans115.9121.8158.8-60.5-173.4177.700117.6
73D48.1Very low46.5Very low146 Ų146150.9 Ų150.978%0.78179%0.792SS**  trans67.1108.2159.7-82.3-11.8000119.6
74M51.8Low46.7Very low161 Ų161150.9 Ų150.979%0.79379%0.792SS**  94.6119.669-91.8-70.7-157.900112.7
75S51.8Low47Very low94 Ų94151.1 Ų151.166%0.65779%0.793SS**  trans63.5111.6152.859.10000119.9
76D43.2Very low47.2Very low145 Ų145150.8 Ų150.878%0.77579%0.79SS**  36.6124.7119.5-51.9-30.7000118.2
77I49.5Very low47.1Very low164 Ų164151.6 Ų151.684%0.84179%0.793SS**  -171.7131.4118-90.3148.6000109.9
78E44.9Very low47.3Very low161 Ų161149.4 Ų149.475%0.75279%0.79SS**  trans-40.7143.2165.5-63.1168.4119.800114.1
79N43.7Very low47Very low152 Ų152145.5 Ų145.581%0.81379%0.785SS**  175.2144.9103.5-90.4-58.2000113.2
80S38.6Very low46.7Very low113 Ų113143 Ų14379%0.7979%0.786SS**  trans-86.3-173.2-173.9-142.50000112.1
81P47Very low46.4Very low113 Ų113144 Ų14473%0.73479%0.785SS**  -121.2167.8-123.525.20.5000114.2
82K41.9Very low46Very low207 Ų207146.6 Ų146.690%0.979%0.785SS**  trans165.8150.3160.6-103.9164.8168.71710107.4
83A45.9Very low45.6Very low66 Ų66146.7 Ų146.755%0.54579%0.788SS.*  cis-173.4165.5-1600000105.1
84D47.6Very low45.3Very low144 Ų144144.8 Ų144.877%0.7778%0.778SS**  trans66.6102.6152.8-40.9-36000118.3
85D47.5Very low44.8Very low142 Ų142144.9 Ų144.976%0.75978%0.781SS**  -178.8118.5115.5-97.4-19.4000113.3
86L49.1Very low44Very low148 Ų148149.1 Ų149.178%0.77579%0.788SS**  trans66.4116.8132.7-53.7175.1000121.7
87M47.6Very low44.1Very low183 Ų183153.7 Ų153.790%0.90180%0.795SS**  trans101.9123.6140.1-56.4-130.872.700120
88S46.8Very low43.8Very low114 Ų114151.2 Ų151.280%0.79779%0.789SS**  trans-63.5163-177.9-59.20000116
89P44.7Very low43.3Very low118 Ų118151.6 Ų151.677%0.76680%0.796SS**  trans-98.3137.5-162.936.3-29.3000113.6
90N37.9Very low43.6Very low159 Ų159148.3 Ų148.385%0.8579%0.791SS**  trans-172.2104.7158.7-105.9-36.6000111.1
91L45.8Very low44.1Very low166 Ų166150.8 Ų150.887%0.86980%0.795SS**  trans-162101.3149.1-75.9-169.9000106.9
92R38.4Very low44Very low196 Ų196152.1 Ų152.174%0.7480%0.796SS**  59.591.693.5-163.8-176.5-172.7-161.37.1112.9N94R92-N94 PolarHBondContact NE-ND2 3.45Å; R92-N94 PolarHBondContact NE-OD1 3.42Å; R92-N94 PolarHBondContact NH2-ND2 2.79Å; R92-N94 VanDerWaalsContact NH2-ND2 3.15Å
93M45.9Very low44.3Very low189 Ų189149.8 Ų149.893%0.93179%0.793SS**  trans-97.7104.1157.5-86.8-69.5170.300108.6
94N41.5Very low44.2Very low106 Ų106149.6 Ų149.657%0.56780%0.797SS**  trans-82.5148.1171.1-93.9-1.6000110.3R92R92-N94 PolarHBondContact NE-ND2 3.45Å; R92-N94 PolarHBondContact NE-OD1 3.42Å; R92-N94 PolarHBondContact NH2-ND2 2.79Å; R92-N94 VanDerWaalsContact NH2-ND2 3.15Å
95N42.1Very low44.2Very low163 Ų163149.3 Ų149.387%0.87280%0.8SS**  trans-58.9150.9175.9-59.4-38.7000114.1
96F35.7Very low43.8Very low183 Ų183149.2 Ų149.280%0.80380%0.8SS**  trans-121.3106.9167.4-150.9-93.1000109.2
97W43.8Very low43.9Very low240 Ų240150.3 Ų150.391%0.90980%0.801SS**  trans-171.7145.2133.7-93.1-21.1000110.2
98P42.8Very low43.8Very low112 Ų112150.3 Ų150.373%0.72780%0.798SS**  trans-106.4158.9-133.520.4-2.4000114.5
99N35.7Very low43.6Very low169 Ų169148.6 Ų148.690%0.90479%0.791SS**  trans-66.6145.7178-61.9-47.3000113.2
100A49.1Very low43.7Very low84 Ų84150.6 Ų150.669%0.69480%0.795SS**  trans-146.8142.4148.200000108.3
101D50.2Low43.8Very low164 Ų164151.5 Ų151.588%0.87780%0.795SS**  trans100.778.3160.9-44.5-18.6000117
102D45Very low44.2Very low142 Ų142150.8 Ų150.876%0.75979%0.791SS**  trans-53.6131153.5171.739.8000113.8
103L47Very low44.7Very low158 Ų158147.9 Ų147.983%0.82779%0.79SS**  172.2116.4128.6-103.8136.7000110.4
104G44Very low44.6Very low61 Ų61145.5 Ų145.563%0.62978%0.781SS**  trans-76.9168.6174.500000114.3
105T46.9Very low44.8Very low138 Ų138147.3 Ų147.385%0.84779%0.789SS**  171.8132.7123-61.20000108.2
106D40.4Very low45Very low140 Ų140142.6 Ų142.675%0.74978%0.779SS**  trans-62157.4176.7-61.1-57.5000113.8
107H51.5Low45.7Very low172 Ų172141 Ų14180%0.79679%0.785SS**  174.9110125.3-86.6-54.3000112
108Q45.5Very low46Very low183 Ų183136.5 Ų136.586%0.85578%0.778SS**  39.4120.4128.2-122.217149.700121.2
109A42.7Very low46.5Very low78 Ų78138.9 Ų138.965%0.64579%0.785SS**  trans39.6119.9134.800000119.8
110N45.7Very low47.4Very low160 Ų160139.8 Ų139.886%0.85678%0.784SS**  -170.1142.2108.2-96.9-21.1000112.2
111E39.3Very low47.7Very low178 Ų178143.4 Ų143.483%0.83279%0.79SS**  trans-50.5153.5167.3-59.4173.6137.300111.7
112L54.4Low48.1Very low151 Ų151140.5 Ų140.579%0.79177%0.774SS**  -179.7112.2127.1-88.5175.3000109.4
113N50.5Low48.3Very low135 Ų135139.4 Ų139.472%0.72278%0.776SS**  58.3109.3129.4-63.1-16000122.2
114N42.7Very low48.8Very low139 Ų139139.5 Ų139.574%0.74377%0.77SS**  69.3134.8103.5-128.96.5000121.4
115I46.1Very low49.4Very low143 Ų143145.8 Ų145.873%0.73378%0.78SS**  trans80.995.8149.3-69.1150.6000117.5
116G45.7Very low49.8Very low64 Ų64146.7 Ų146.766%0.6678%0.78SS**  77.6109.510100000117.4
117T49.8Very low50.6Low150 Ų150149.2 Ų149.292%0.9278%0.784SS**  trans-162.6134.1132.5-2.40000110
118D51.1Low50.6Low146 Ų146146.1 Ų146.178%0.78177%0.774SS**  trans-62.7147.2175.8-63.8-57000111.7
119D53.8Low51.4Low161 Ų161142 Ų14286%0.86177%0.766SS**  trans150.4135.4139.7-73.2-31.7000110.9
120E54.3Low52.3Low188 Ų188146 Ų14688%0.87977%0.768SS**  trans84.578.4164-141.9173.1-158.300118.4D122E120-D122 PolarHBondContact O-N 2.95Å
121I55.7Low52.9Low161 Ų161141.8 Ų141.883%0.82675%0.751SS**  trans-83.790.4161.4-61.8175.4000109.1C123I121-C123 PolarHBondContact O-N 3.33Å
122D58.3Low53.9Low103 Ų103138.5 Ų138.555%0.55174%0.739SS**  trans-66.6110.7156.5-176.722.3000108.6E120 K124E120-D122 PolarHBondContact O-N 2.95Å; D122-K124 PolarHBondContact O-N 2.88Å; D122-K124 WeakPolarHBondContact OD2-CD 3.27Å; D122-K124 IonicContact OD2-NZ 3.63Å
123C49.7Very low54.3Low119 Ų119134.1 Ų134.180%0.80472%0.721SS**  trans-76.964.6174.7-62.70000110.9I121I121-C123 PolarHBondContact O-N 3.33Å
124K56.5Low55Low160 Ų160133.1 Ų133.170%0.69671%0.714SS**  trans-112.390.7162.1-72.1-179.1-167.4148.80109D122D122-K124 PolarHBondContact O-N 2.88Å; D122-K124 WeakPolarHBondContact OD2-CD 3.27Å; D122-K124 IonicContact OD2-NZ 3.63Å
125K57.2Low55.9Low192 Ų192132.4 Ų132.484%0.83571%0.706SS**  trans-128.3115.7161.9-89.4-177.9179.9169.20109.7F127K125-F127 PolarHBondContact O-N 3.02Å
126D54.3Low56.7Low158 Ų158131 Ų13185%0.84570%0.7SS**  trans-50.2117.7178.8-56.3-65.2000111.6N128D126-N128 PolarHBondContact O-N 3.44Å
127F57.9Low57.6Low192 Ų192135.3 Ų135.384%0.84271%0.707SS**  trans-67.989.4163.6-83.3-86.5000108.4K125 S129K125-F127 PolarHBondContact O-N 3.02Å; F127-S129 PolarHBondContact O-N 3.42Å; F127-S129 PolarHBondContact O-OG 3.2Å
128N51Low58.2Low107 Ų107138.3 Ų138.357%0.57270%0.701SS**  trans-60.390.1167.5-174.9-4.3000109.1D126 K130 S131D126-N128 PolarHBondContact O-N 3.44Å; N128-K130 PolarHBondContact O-N 3.39Å; N128-K130 WeakPolarHBondContact OD1-CB 3.32Å; N128-K130 PolarHBondContact OD1-N 3.47Å; N128-S131 PolarHBondContact O-N 3.42Å; N128-S131 VanDerWaalsContact O-N 3.1Å
129S62.5Low59.1Low98 Ų98139.7 Ų139.769%0.68570%0.696SS**Hα-helixtrans-59.9-8.5-177.8-670000113.6F127F127-S129 PolarHBondContact O-N 3.42Å; F127-S129 PolarHBondContact O-OG 3.2Å
130K61.4Low60.2Low162 Ų162141.8 Ų141.870%0.70470%0.697SS**Hα-helixtrans-83.6-19.7177.6-58178.8-179172.70113.4N128 S133N128-K130 PolarHBondContact O-N 3.39Å; N128-K130 WeakPolarHBondContact OD1-CB 3.32Å; N128-K130 PolarHBondContact OD1-N 3.47Å; K130-S133 WeakPolarHBondContact CA-OG 3.45Å; K130-S133 PolarHBondContact O-OG 3.25Å
131S58.9Low61.5Low71 Ų71142.5 Ų142.550%0.49770%0.697SS.*Hα-helixtrans-74.7-36.1179.3-172.90000112.6N128 I134 Q135N128-S131 PolarHBondContact O-N 3.42Å; N128-S131 VanDerWaalsContact O-N 3.1Å; S131-I134 PolarHBondContact O-N 3.18Å; S131-Q135 PolarHBondContact O-N 3.36Å
132L60.7Low62.9Low109 Ų109144.4 Ų144.457%0.57170%0.7SS**Hα-helixtrans-69.8-32.6176.5-75.6168.6000112.8I134 Q135 L136L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 3.38Å; L132-Q135 PolarHBondContact O-N 3.46Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.92Å
133S63.2Low64.3Low59 Ų59145.6 Ų145.641%0.41371%0.711SS.*Hα-helixtrans-66.1-32.7177.342.60000113.2K130 L137K130-S133 WeakPolarHBondContact CA-OG 3.45Å; K130-S133 PolarHBondContact O-OG 3.25Å; S133-L137 PolarHBondContact O-N 3.4Å
134I63.4Low66.3Low114 Ų114151.2 Ų151.259%0.58572%0.715SS**Hα-helixtrans-76.6-35.5178.4-63.3-170.9000111.4S131 L132 L136 L137 R138S131-I134 PolarHBondContact O-N 3.18Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 3.38Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 3.39Å; I134-L137 PolarHBondContact O-N 3.07Å; I134-R138 PolarHBondContact O-N 3.34Å
135Q61.9Low67.9Low123 Ų123148.9 Ų148.958%0.57571%0.714SS**Hα-helixtrans-68-28.5174.8-74-171.9-0.400113.3S131 L132S131-Q135 PolarHBondContact O-N 3.36Å; L132-Q135 PolarHBondContact O-N 3.46Å
136L64Low69.7Low114 Ų114146.3 Ų146.360%0.59771%0.714SS**Hα-helixtrans-75-32.9174.7-70.6171000112.8L132 I134 R138 R139L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.92Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 3.39Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 3.09Å; L136-R139 PolarHBondContact O-N 3.37Å
137L63.7Low71.7Confident154 Ų154141.3 Ų141.381%0.80669%0.685SS**Hα-helixtrans-69.6-21.8177.5-11169000114S133 I134S133-L137 PolarHBondContact O-N 3.4Å; I134-L137 PolarHBondContact O-N 3.07Å
138R63.7Low73.7Confident213 Ų213135.5 Ų135.580%0.80467%0.669SS**THydrogen-bonded Turntrans-81.6-7.2179.1-79.3-176.7145.5172.3-5.4114.8I134 L136 K140I134-R138 PolarHBondContact O-N 3.34Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 3.09Å; R138-K140 PolarHBondContact O-N 3.05Å
139R68.3Low75.9Confident176 Ų176139.5 Ų139.566%0.66468%0.675SS**SBendtrans-77.492.4173.2-71.2-173171.788.4-5.6109.8L136 K141L136-R139 PolarHBondContact O-N 3.37Å; R139-K141 PolarHBondContact O-N 3.13Å; R139-K141 VanDerWaalsContact O-N 3.13Å
140K76.8Confident77.6Confident205 Ų205139.4 Ų139.489%0.89167%0.667SS**PPolyproline II helixtrans-49.7116.1173.1-78.1172.7168.8172.20110.3R138 K142R138-K140 PolarHBondContact O-N 3.05Å; K140-K142 PolarHBondContact O-N 3.32Å
141K83.4Confident79.4Confident202 Ų202133.4 Ų133.488%0.87864%0.642SS**PPolyproline II helixtrans-61.6133.4173.8-70.3161.585.41700108.9R139 T143R139-K141 PolarHBondContact O-N 3.13Å; R139-K141 VanDerWaalsContact O-N 3.13Å; K141-T143 PolarHBondContact O-N 3.35Å
142K83.5Confident81.2Confident202 Ų202131.6 Ų131.688%0.87863%0.628SS**PPolyproline II helixtrans-66.2126.7175.6-164.384.3128.1179.30109.2K140K140-K142 PolarHBondContact O-N 3.32Å
143T88.9Confident83Confident127 Ų127133.2 Ų133.278%0.77963%0.627SS**PPolyproline II helixtrans-59.3135.1173-54.60000110.3K141K141-T143 PolarHBondContact O-N 3.35Å
144R90.8Very high84.7Confident237 Ų237136.5 Ų136.589%0.89463%0.63SS**PPolyproline II helixtrans-71.6136.3174.7-67.6-174.5176-148.70.9109.7
145T90.1Very high86.4Confident112 Ų112131 Ų13169%0.68760%0.603SS**PPolyproline II helixtrans-91.814817257.90000110.5
146V94.9Very high88.2Confident138 Ų138128.8 Ų128.884%0.83659%0.592SS**  trans-113.9136.9173.5-177.10000108
147F97.5Very high89.8Confident53 Ų53125.4 Ų125.423%0.23258%0.578CS.*  trans-78.5144.3174.8-60-43.3000110.7Q151 V152 L155 L179 Q183 W187F147-Q151 HydrophobicContact CB-CB 4.17Å; F147-V152 HydrophobicContact CB-CG2 3.91Å; F147-L155 HydrophobicContact CD2-CD1 4.35Å; F147-L179 HydrophobicContact CD1-CD1 4.39Å; F147-L179 HydrophobicContact CD1-CD2 3.84Å; F147-L179 HydrophobicContact CE1-CD1 4.27Å; F147-L179 HydrophobicContact CE1-CD2 3.69Å; F147-Q183 HydrophobicContact CZ-CB 4.2Å; F147-Q183 HydrophobicContact CZ-CG 4.45Å; F147-W187 AromaticContact CD2-CD1 3.86Å; F147-W187 HydrophobicContact CE2-CB 4.29Å; F147-W187 AromaticContact CE2-CD1 3.71Å; F147-W187 HydrophobicContact CE2-CG 4.33Å
148S98.2Very high91.4Very high70 Ų70119.7 Ų119.749%0.4955%0.549SS..  trans-60.5153.7173.6170.60000111.3N150 Q151 V152S148-N150 VanDerWaalsContact C-N 3.26Å; S148-N150 PolarHBondContact O-N 3.19Å; S148-Q151 WeakPolarHBondContact O-CB 3.35Å; S148-Q151 PolarHBondContact O-N 3.06Å; S148-V152 PolarHBondContact O-N 2.99Å
149R98.1Very high93.1Very high190 Ų190110 Ų11072%0.71751%0.513SS*.Hα-helixtrans-55.5-40.6178.5-170.471.6-150.3-176.54.6112.5V152 Y153R149-V152 PolarHBondContact O-N 3.17Å; R149-Y153 WeakPolarHBondContact O-CB 3.39Å; R149-Y153 PolarHBondContact O-N 3.33Å
150N98.2Very high94.5Very high97 Ų97105.1 Ų105.152%0.51951%0.51SS..Hα-helixtrans-63.5-40.6176.4176.553.8000112S148 Y153 R154S148-N150 VanDerWaalsContact C-N 3.26Å; S148-N150 PolarHBondContact O-N 3.19Å; N150-Y153 PolarHBondContact O-N 3.38Å; N150-R154 WeakPolarHBondContact O-CG 3.04Å; N150-R154 PolarHBondContact O-N 3.14Å; N150-R154 VanDerWaalsContact O-N 3.08Å
151Q98.5Very high95.5Very high35 Ų35102.7 Ų102.716%0.16451%0.506CS..Hα-helixtrans-63.1-47.7176.2-67.8174-40.600110.7F147 S148 Y153 R154 L155 L177F147-Q151 HydrophobicContact CB-CB 4.17Å; S148-Q151 WeakPolarHBondContact O-CB 3.35Å; S148-Q151 PolarHBondContact O-N 3.06Å; Q151-Y153 PolarHBondContact O-N 3.3Å; Q151-R154 PolarHBondContact O-N 3.45Å; Q151-L155 WeakPolarHBondContact O-CB 3.22Å; Q151-L155 WeakPolarHBondContact O-CD1 2.99Å; Q151-L155 WeakPolarHBondContact O-CG 3.28Å; Q151-L155 PolarHBondContact O-N 3.4Å; Q151-L177 PolarHBondContact NE2-O 2.96Å
152V98.5Very high96.2Very high33 Ų3396.7 Ų96.720%0.248%0.48CS..Hα-helixtrans-60.2-45.3177.2177.90000111.1F147 S148 R149 R154 L155 E156F147-V152 HydrophobicContact CB-CG2 3.91Å; S148-V152 PolarHBondContact O-N 2.99Å; R149-V152 PolarHBondContact O-N 3.17Å; V152-R154 PolarHBondContact O-N 3.21Å; V152-L155 PolarHBondContact O-N 2.97Å; V152-E156 HydrophobicContact CG1-CG 4.27Å; V152-E156 WeakPolarHBondContact O-CB 3.42Å; V152-E156 WeakPolarHBondContact O-CG 3.38Å; V152-E156 PolarHBondContact O-N 2.82Å
153Y98.4Very high96.8Very high143 Ų14392.2 Ų92.256%0.56146%0.458SS*.Hα-helixtrans-56.7-48.6178.2172.6-102.8000112.3R149 N150 Q151 E156 S157R149-Y153 WeakPolarHBondContact O-CB 3.39Å; R149-Y153 PolarHBondContact O-N 3.33Å; N150-Y153 PolarHBondContact O-N 3.38Å; Q151-Y153 PolarHBondContact O-N 3.3Å; Y153-E156 PolarHBondContact O-N 3.29Å; Y153-S157 WeakPolarHBondContact O-CB 3.49Å; Y153-S157 PolarHBondContact O-N 2.85Å; Y153-S157 PolarHBondContact O-OG 3.11Å
154R98.5Very high97.3Very high128 Ų12893.3 Ų93.348%0.48345%0.449SS..Hα-helixtrans-66.6-37.2178.7-68.5-71.1-172.2174.31.9112.8N150 Q151 V152 S157 T158 L177N150-R154 WeakPolarHBondContact O-CG 3.04Å; N150-R154 PolarHBondContact O-N 3.14Å; N150-R154 VanDerWaalsContact O-N 3.08Å; Q151-R154 PolarHBondContact O-N 3.45Å; V152-R154 PolarHBondContact O-N 3.21Å; R154-S157 WeakPolarHBondContact CA-OG 3.48Å; R154-S157 PolarHBondContact O-OG 3.32Å; R154-S157 VanDerWaalsContact O-OG 3.07Å; R154-T158 WeakPolarHBondContact O-CB 3.24Å; R154-T158 PolarHBondContact O-N 3.18Å; R154-T158 PolarHBondContact O-OG1 3.29Å; R154-L177 HydrophobicContact CB-CD1 4.13Å; R154-L177 HydrophobicContact CB-CD2 3.48Å; R154-L177 VanDerWaalsContact CB-CD2 3.48Å; R154-L177 HydrophobicContact CB-CG 4.41Å; R154-L177 HydrophobicContact CG-CD2 3.77Å
155L98.8Very high97.6Very high0 Ų083.2 Ų83.20%041%0.412CS..Hα-helixtrans-64.5-44.8174.7-72.7164.6000111F147 Q151 V152 F159 L173 L177 L179 V184 W187 F188F147-L155 HydrophobicContact CD2-CD1 4.35Å; Q151-L155 WeakPolarHBondContact O-CB 3.22Å; Q151-L155 WeakPolarHBondContact O-CD1 2.99Å; Q151-L155 WeakPolarHBondContact O-CG 3.28Å; Q151-L155 PolarHBondContact O-N 3.4Å; V152-L155 PolarHBondContact O-N 2.97Å; L155-F159 WeakPolarHBondContact O-CB 3.41Å; L155-F159 PolarHBondContact O-N 3.38Å; L155-L173 HydrophobicContact CD2-CD2 4Å; L155-L177 HydrophobicContact CD1-CD1 4.43Å; L155-L177 HydrophobicContact CD2-CD1 3.77Å; L155-L177 HydrophobicContact CG-CD1 3.65Å; L155-L179 HydrophobicContact CD1-CD1 4.17Å; L155-V184 HydrophobicContact CD2-CG1 4.38Å; L155-W187 HydrophobicContact CB-CD2 3.8Å; L155-W187 HydrophobicContact CB-CE3 3.83Å; L155-W187 HydrophobicContact CB-CH2 3.6Å; L155-W187 HydrophobicContact CB-CZ2 3.53Å; L155-W187 HydrophobicContact CB-CZ3 3.74Å; L155-W187 HydrophobicContact CD1-CD2 3.85Å; L155-W187 HydrophobicContact CD1-CG 3.82Å; L155-W187 HydrophobicContact CD2-CD2 4.11Å; L155-W187 HydrophobicContact CD2-CE3 3.97Å; L155-W187 HydrophobicContact CD2-CG 4.46Å; L155-W187 HydrophobicContact CG-CD2 4.14Å; L155-W187 HydrophobicContact CG-CE3 4.31Å; L155-W187 VanDerWaalsContact O-CH2 3.31Å; L155-W187 WeakPolarHBondContact O-CH2 3.26Å; L155-W187 WeakPolarHBondContact O-CZ3 3.45Å; L155-F188 HydrophobicContact CD2-CE2 4.15Å
156E98.7Very high98Very high76 Ų7680.2 Ų80.236%0.35540%0.396SS..Hα-helixtrans-67.4-43.2177.8-73.2-159.1160.600112.9V152 Y153 T158 F159 A160 W187V152-E156 HydrophobicContact CG1-CG 4.27Å; V152-E156 WeakPolarHBondContact O-CB 3.42Å; V152-E156 WeakPolarHBondContact O-CG 3.38Å; V152-E156 PolarHBondContact O-N 2.82Å; Y153-E156 PolarHBondContact O-N 3.29Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-T158 PolarHBondContact O-N 3.31Å; E156-F159 WeakPolarHBondContact O-CB 3.34Å; E156-F159 PolarHBondContact O-N 3.13Å; E156-A160 PolarHBondContact O-N 3.4Å; E156-W187 HydrophobicContact CG-CH2 3.96Å; E156-W187 HydrophobicContact CG-CZ2 3.72Å
157S98.3Very high98.2Very high42 Ų4277.3 Ų77.329%0.29438%0.381SS..Hα-helixtrans-62.8-42176.665.10000111.4Y153 R154 F159 A160 L161Y153-S157 WeakPolarHBondContact O-CB 3.49Å; Y153-S157 PolarHBondContact O-N 2.85Å; Y153-S157 PolarHBondContact O-OG 3.11Å; R154-S157 WeakPolarHBondContact CA-OG 3.48Å; R154-S157 PolarHBondContact O-OG 3.32Å; R154-S157 VanDerWaalsContact O-OG 3.07Å; S157-F159 VanDerWaalsContact C-N 3.34Å; S157-F159 PolarHBondContact O-N 3.14Å; S157-A160 PolarHBondContact O-N 3.47Å; S157-L161 WeakPolarHBondContact O-CG 3.41Å; S157-L161 PolarHBondContact O-N 3.49Å
158T98.3Very high98.2Very high34 Ų3479 Ų7921%0.20940%0.4CS..Hα-helixtrans-64.5-39.6174.4-51.30000111.5R154 E156 A160 L161 K162 L165 L173 F188R154-T158 WeakPolarHBondContact O-CB 3.24Å; R154-T158 PolarHBondContact O-N 3.18Å; R154-T158 PolarHBondContact O-OG1 3.29Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-T158 PolarHBondContact O-N 3.31Å; T158-A160 VanDerWaalsContact C-N 3.35Å; T158-L161 PolarHBondContact O-N 3.27Å; T158-K162 PolarHBondContact O-N 3.41Å; T158-L165 HydrophobicContact CG2-CD1 4.48Å; T158-L165 HydrophobicContact CG2-CD2 3.96Å; T158-L173 HydrophobicContact CG2-CD2 4.06Å; T158-F188 HydrophobicContact CG2-CZ 4.12Å
159F98.6Very high98.2Very high11 Ų1179.4 Ų79.45%0.04839%0.394CS..Hα-helixtrans-64.9-37.6177.2-176.4-94.7000112.9L155 E156 S157 L161 K162 R163 W187 F188 R191 R192 W195L155-F159 WeakPolarHBondContact O-CB 3.41Å; L155-F159 PolarHBondContact O-N 3.38Å; E156-F159 WeakPolarHBondContact O-CB 3.34Å; E156-F159 PolarHBondContact O-N 3.13Å; S157-F159 VanDerWaalsContact C-N 3.34Å; S157-F159 PolarHBondContact O-N 3.14Å; F159-L161 VanDerWaalsContact C-N 3.3Å; F159-K162 CarbonylContact O-C 3.41Å; F159-K162 VanDerWaalsContact O-C 3.28Å; F159-K162 PolarHBondContact O-N 3.01Å; F159-R163 HydrophobicContact CE2-CB 4.34Å; F159-R163 HydrophobicContact CE2-CG 4.47Å; F159-R163 HydrophobicContact CZ-CB 4.48Å; F159-R163 HydrophobicContact CZ-CG 4.17Å; F159-W187 HydrophobicContact CB-CH2 3.99Å; F159-W187 HydrophobicContact CB-CZ3 3.95Å; F159-W187 HydrophobicContact CD2-CZ3 4.37Å; F159-W187 HydrophobicContact CG-CH2 4.49Å; F159-W187 HydrophobicContact CG-CZ3 4.4Å; F159-F188 HydrophobicContact CB-CE1 4.18Å; F159-F188 HydrophobicContact CB-CZ 4.37Å; F159-F188 AromaticContact CD2-CD1 3.81Å; F159-F188 HydrophobicContact CD2-CD1 3.81Å; F159-F188 AromaticContact CD2-CE1 3.78Å; F159-F188 HydrophobicContact CD2-CE1 3.78Å; F159-F188 HydrophobicContact CE2-CD1 4.47Å; F159-F188 HydrophobicContact CG-CE1 4.49Å; F159-R191 HydrophobicContact CB-CG 4.43Å; F159-R191 HydrophobicContact CD1-CG 3.62Å; F159-R191 HydrophobicContact CD2-CB 4.15Å; F159-R191 HydrophobicContact CD2-CG 3.62Å; F159-R191 HydrophobicContact CE1-CG 3.66Å; F159-R191 HydrophobicContact CE2-CB 4.1Å; F159-R191 HydrophobicContact CE2-CG 3.67Å; F159-R191 HydrophobicContact CG-CG 3.6Å; F159-R191 HydrophobicContact CZ-CB 4.45Å; F159-R191 HydrophobicContact CZ-CG 3.69Å; F159-R192 HydrophobicContact CE2-CG 3.76Å; F159-R192 HydrophobicContact CZ-CG 4.2Å; F159-W195 HydrophobicContact CE1-CB 4.48Å; F159-W195 HydrophobicContact CZ-CB 4.3Å
160A97.8Very high98.2Very high73 Ų7373.2 Ų73.260%0.60337%0.371SS*.Hα-helixtrans-61.9-40.4175.900000111.4E156 S157 T158E156-A160 PolarHBondContact O-N 3.4Å; S157-A160 PolarHBondContact O-N 3.47Å; T158-A160 VanDerWaalsContact C-N 3.35Å
161L97.6Very high98.3Very high154 Ų15470.9 Ų70.981%0.80636%0.36SS*.Hα-helixtrans-70.6-44.1173.9-63.4174000111.9S157 T158 F159S157-L161 WeakPolarHBondContact O-CG 3.41Å; S157-L161 PolarHBondContact O-N 3.49Å; T158-L161 PolarHBondContact O-N 3.27Å; F159-L161 VanDerWaalsContact C-N 3.3Å
162K97.5Very high98.2Very high75 Ų7570.3 Ų70.333%0.32636%0.363SS..  trans-146.9119.3-177.8-162163.971.2162.20114.2T158 F159 Y164 E169 F188T158-K162 PolarHBondContact O-N 3.41Å; F159-K162 CarbonylContact O-C 3.41Å; F159-K162 VanDerWaalsContact O-C 3.28Å; F159-K162 PolarHBondContact O-N 3.01Å; K162-Y164 VanDerWaalsContact C-N 3.31Å; K162-Y164 WeakPolarHBondContact CD-O 3.43Å; K162-Y164 WeakPolarHBondContact CE-O 3.34Å; K162-Y164 WeakPolarHBondContact CG-O 3.35Å; K162-Y164 PolarHBondContact O-N 3.44Å; K162-E169 VanDerWaalsContact CE-OE1 3.27Å; K162-E169 WeakPolarHBondContact CE-OE1 3.3Å; K162-E169 VanDerWaalsContact CE-OE2 3.32Å; K162-E169 WeakPolarHBondContact CE-OE2 3.49Å; K162-E169 IonicContact NZ-OE1 3.2Å; K162-E169 PolarHBondContact NZ-OE1 3.16Å; K162-E169 IonicContact NZ-OE2 2.72Å; K162-E169 PolarHBondContact NZ-OE2 2.97Å; K162-F188 WeakPolarHBondContact O-CE1 3.25Å
163R97.5Very high98.2Very high109 Ų10969.8 Ų69.841%0.41136%0.359SS..SBendtrans-69.3-23.1-178.6-67.9168.416474.1-1.5114.3F159 R192F159-R163 HydrophobicContact CE2-CB 4.34Å; F159-R163 HydrophobicContact CE2-CG 4.47Å; F159-R163 HydrophobicContact CZ-CB 4.48Å; F159-R163 HydrophobicContact CZ-CG 4.17Å; R163-R192 PolarHBondContact O-NH1 3.23Å; R163-R192 VanDerWaalsContact O-NH1 3.11Å
164Y98.4Very high98.3Very high150 Ų15063.2 Ų63.259%0.58833%0.334SS*.SBendtrans-135.4116.9-178.1-62.7-93.3000110.8K162 R192K162-Y164 VanDerWaalsContact C-N 3.31Å; K162-Y164 WeakPolarHBondContact CD-O 3.43Å; K162-Y164 WeakPolarHBondContact CE-O 3.34Å; K162-Y164 WeakPolarHBondContact CG-O 3.35Å; K162-Y164 PolarHBondContact O-N 3.44Å; Y164-R192 VanDerWaalsContact CZ-CD 3.4Å
165L98.1Very high98.3Very high25 Ų2566 Ų6613%0.13135%0.345CS..  trans-88.3140.1175.4-60.2-176.2000111.6T158 E169 L173 V184 F188T158-L165 HydrophobicContact CG2-CD1 4.48Å; T158-L165 HydrophobicContact CG2-CD2 3.96Å; L165-E169 HydrophobicContact CB-CB 4.36Å; L165-E169 HydrophobicContact CD2-CB 4.35Å; L165-L173 HydrophobicContact CD1-CD2 3.75Å; L165-V184 HydrophobicContact CD1-CG1 4.27Å; L165-F188 HydrophobicContact CD1-CD1 4.47Å; L165-F188 HydrophobicContact CD1-CD2 4.01Å; L165-F188 HydrophobicContact CD1-CE1 3.93Å; L165-F188 HydrophobicContact CD1-CE2 3.42Å; L165-F188 VanDerWaalsContact CD1-CE2 3.42Å; L165-F188 HydrophobicContact CD1-CZ 3.38Å; L165-F188 HydrophobicContact CD2-CE1 4.18Å; L165-F188 HydrophobicContact CD2-CZ 4.11Å; L165-F188 HydrophobicContact CG-CD1 4.16Å; L165-F188 HydrophobicContact CG-CE1 3.63Å; L165-F188 HydrophobicContact CG-CE2 4.08Å; L165-F188 HydrophobicContact CG-CZ 3.61Å
166S98.1Very high98.2Very high49 Ų4971.1 Ų71.134%0.34338%0.376SS..  trans-68.3170.6164.869.70000111S168 E169 R170S166-S168 PolarHBondContact OG-OG 3.4Å; S166-E169 VanDerWaalsContact CB-OE2 3.23Å; S166-E169 WeakPolarHBondContact CB-OE2 3.42Å; S166-E169 PolarHBondContact N-OE2 3.04Å; S166-E169 VanDerWaalsContact OG-CG 3.32Å; S166-E169 WeakPolarHBondContact OG-CG 3.38Å; S166-E169 PolarHBondContact OG-N 3.11Å; S166-E169 PolarHBondContact OG-OE2 3.4Å; S166-R170 WeakPolarHBondContact O-CB 3.42Å; S166-R170 PolarHBondContact O-N 3.14Å; S166-R170 VanDerWaalsContact O-N 3.08Å
167S98.1Very high98.2Very high76 Ų7668 Ų6853%0.53136%0.362SS..Hα-helixtrans-62.5-45178.8-153.80000112E169 R170 V171S167-E169 PolarHBondContact O-N 3.34Å; S167-R170 WeakPolarHBondContact O-CB 3.42Å; S167-R170 PolarHBondContact O-N 2.91Å; S167-V171 VanDerWaalsContact O-CG2 3.31Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.12Å
168S98.1Very high98.2Very high89 Ų8974.5 Ų74.562%0.62239%0.388SS*.Hα-helixtrans-64.6-41.8-17952.50000112.5S166 R170 V171 G172S166-S168 PolarHBondContact OG-OG 3.4Å; S168-R170 VanDerWaalsContact C-N 3.33Å; S168-R170 PolarHBondContact O-N 3.47Å; S168-V171 WeakPolarHBondContact O-CB 3.39Å; S168-V171 PolarHBondContact O-N 2.93Å; S168-G172 PolarHBondContact O-N 3.03Å
169E98.4Very high98.2Very high78 Ų7873.9 Ų73.936%0.36438%0.383SS..Hα-helixtrans-67.5-36.2177.4-67.2161.8136.400112K162 L165 S166 S167 V171 G172 L173K162-E169 VanDerWaalsContact CE-OE1 3.27Å; K162-E169 WeakPolarHBondContact CE-OE1 3.3Å; K162-E169 VanDerWaalsContact CE-OE2 3.32Å; K162-E169 WeakPolarHBondContact CE-OE2 3.49Å; K162-E169 IonicContact NZ-OE1 3.2Å; K162-E169 PolarHBondContact NZ-OE1 3.16Å; K162-E169 IonicContact NZ-OE2 2.72Å; K162-E169 PolarHBondContact NZ-OE2 2.97Å; L165-E169 HydrophobicContact CB-CB 4.36Å; L165-E169 HydrophobicContact CD2-CB 4.35Å; S166-E169 VanDerWaalsContact CB-OE2 3.23Å; S166-E169 WeakPolarHBondContact CB-OE2 3.42Å; S166-E169 PolarHBondContact N-OE2 3.04Å; S166-E169 VanDerWaalsContact OG-CG 3.32Å; S166-E169 WeakPolarHBondContact OG-CG 3.38Å; S166-E169 PolarHBondContact OG-N 3.11Å; S166-E169 PolarHBondContact OG-OE2 3.4Å; S167-E169 PolarHBondContact O-N 3.34Å; E169-V171 VanDerWaalsContact C-N 3.34Å; E169-G172 PolarHBondContact O-N 3.04Å; E169-L173 WeakPolarHBondContact O-CB 3.49Å; E169-L173 PolarHBondContact O-N 2.9Å
170R98.6Very high98.2Very high61 Ų6176.9 Ų76.923%0.2340%0.403CS..Hα-helixtrans-61.5-44.8174-172.5-168.6-57.4145.67.6110.9S166 S167 S168 G172 L173 A174 E181 V184S166-R170 WeakPolarHBondContact O-CB 3.42Å; S166-R170 PolarHBondContact O-N 3.14Å; S166-R170 VanDerWaalsContact O-N 3.08Å; S167-R170 WeakPolarHBondContact O-CB 3.42Å; S167-R170 PolarHBondContact O-N 2.91Å; S168-R170 VanDerWaalsContact C-N 3.33Å; S168-R170 PolarHBondContact O-N 3.47Å; R170-G172 VanDerWaalsContact C-N 3.33Å; R170-G172 PolarHBondContact O-N 2.66Å; R170-L173 PolarHBondContact O-N 2.94Å; R170-A174 WeakPolarHBondContact O-CB 3.45Å; R170-A174 PolarHBondContact O-N 2.97Å; R170-E181 WeakPolarHBondContact CD-O 3.31Å; R170-E181 HydrophobicContact CG-CB 4.24Å; R170-E181 HydrophobicContact CG-CG 4.4Å; R170-V184 HydrophobicContact CG-CB 4.13Å; R170-V184 HydrophobicContact CG-CG1 3.96Å
171V98.6Very high98.2Very high48 Ų4877.1 Ų77.129%0.29139%0.391SS..Hα-helixtrans-59.9-43.8175175.90000110.8S167 S168 E169 R175 E181S167-V171 VanDerWaalsContact O-CG2 3.31Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.12Å; S168-V171 WeakPolarHBondContact O-CB 3.39Å; S168-V171 PolarHBondContact O-N 2.93Å; E169-V171 VanDerWaalsContact C-N 3.34Å; V171-R175 WeakPolarHBondContact O-CG 3.37Å; V171-R175 PolarHBondContact O-N 3.35Å; V171-R175 VanDerWaalsContact O-N 3.13Å; V171-R175 PolarHBondContact O-NE 3.27Å; V171-E181 HydrophobicContact CG2-CG 4.19Å; V171-E181 VanDerWaalsContact CG2-OE2 3.3Å; V171-E181 WeakPolarHBondContact CG2-OE2 3.32Å
172G98.4Very high98.2Very high22 Ų2273.9 Ų73.923%0.22738%0.378CS..Hα-helixtrans-59.2-53176.300000112.4S168 E169 R170 A174 R175 T176S168-G172 PolarHBondContact O-N 3.03Å; E169-G172 PolarHBondContact O-N 3.04Å; R170-G172 VanDerWaalsContact C-N 3.33Å; R170-G172 PolarHBondContact O-N 2.66Å; G172-A174 PolarHBondContact O-N 2.87Å; G172-R175 PolarHBondContact O-N 3.43Å; G172-T176 PolarHBondContact O-N 2.97Å; G172-T176 VanDerWaalsContact O-N 3.1Å; G172-T176 PolarHBondContact O-OG1 3.41Å
173L98.5Very high98.2Very high22 Ų2273.3 Ų73.312%0.11538%0.376CS..Hα-helixtrans-65.4-39.7-178.5-168.965.4000112.4L155 T158 L165 E169 R170 R175 T176 L177 V184 F188L155-L173 HydrophobicContact CD2-CD2 4Å; T158-L173 HydrophobicContact CG2-CD2 4.06Å; L165-L173 HydrophobicContact CD1-CD2 3.75Å; E169-L173 WeakPolarHBondContact O-CB 3.49Å; E169-L173 PolarHBondContact O-N 2.9Å; R170-L173 PolarHBondContact O-N 2.94Å; L173-R175 PolarHBondContact O-N 3.4Å; L173-T176 PolarHBondContact O-N 3.45Å; L173-L177 HydrophobicContact CD1-CD1 3.91Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 3.9Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3Å; L173-V184 HydrophobicContact CD2-CG1 4.01Å; L173-F188 HydrophobicContact CD2-CE2 3.84Å; L173-F188 HydrophobicContact CD2-CZ 4.34Å
174A98.7Very high98.3Very high5 Ų568.1 Ų68.14%0.04136%0.357CS..Hα-helixtrans-57.4-48.1175.800000111.4R170 G172 L177 Q178 L179 E181 V184R170-A174 WeakPolarHBondContact O-CB 3.45Å; R170-A174 PolarHBondContact O-N 2.97Å; G172-A174 PolarHBondContact O-N 2.87Å; A174-L177 PolarHBondContact O-N 3.42Å; A174-Q178 PolarHBondContact O-N 3.19Å; A174-L179 CarbonylContact C-O 3.28Å; A174-L179 WeakPolarHBondContact CA-O 3.43Å; A174-L179 VanDerWaalsContact CB-O 3.31Å; A174-L179 WeakPolarHBondContact CB-O 3.37Å; A174-L179 PolarHBondContact O-N 3.41Å; A174-L179 VanDerWaalsContact O-O 3.08Å; A174-E181 HydrophobicContact CB-CG 4.05Å; A174-V184 HydrophobicContact CB-CG2 4.05Å
175R98.4Very high98.3Very high187 Ų18766.4 Ų66.471%0.70635%0.352SS*.Hα-helixtrans-61.4-47.3176.5-72.9-175.9-68.3159.8-4112.2V171 G172 L173 L177 Q178V171-R175 WeakPolarHBondContact O-CG 3.37Å; V171-R175 PolarHBondContact O-N 3.35Å; V171-R175 VanDerWaalsContact O-N 3.13Å; V171-R175 PolarHBondContact O-NE 3.27Å; G172-R175 PolarHBondContact O-N 3.43Å; L173-R175 PolarHBondContact O-N 3.4Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.41Å; R175-Q178 PolarHBondContact O-N 3.42Å
176T98.2Very high98.3Very high108 Ų10869.4 Ų69.466%0.66337%0.367SS*.Hα-helixtrans-63.3-35.9-179.3-56.40000112.9G172 L173G172-T176 PolarHBondContact O-N 2.97Å; G172-T176 VanDerWaalsContact O-N 3.1Å; G172-T176 PolarHBondContact O-OG1 3.41Å; L173-T176 PolarHBondContact O-N 3.45Å
177L98.1Very high98.3Very high10 Ų1068.6 Ų68.65%0.05236%0.357CS..Hα-helixtrans-93.50.5-177.2-59.3-176.3000114.3Q151 R154 L155 L173 A174 R175 L179Q151-L177 PolarHBondContact NE2-O 2.96Å; R154-L177 HydrophobicContact CB-CD1 4.13Å; R154-L177 HydrophobicContact CB-CD2 3.48Å; R154-L177 VanDerWaalsContact CB-CD2 3.48Å; R154-L177 HydrophobicContact CB-CG 4.41Å; R154-L177 HydrophobicContact CG-CD2 3.77Å; L155-L177 HydrophobicContact CD1-CD1 4.43Å; L155-L177 HydrophobicContact CD2-CD1 3.77Å; L155-L177 HydrophobicContact CG-CD1 3.65Å; L173-L177 HydrophobicContact CD1-CD1 3.91Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 3.9Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3Å; A174-L177 PolarHBondContact O-N 3.42Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.41Å; L177-L179 HydrophobicContact CB-CD1 4.09Å; L177-L179 HydrophobicContact CB-CG 4.05Å; L177-L179 HydrophobicContact CD1-CD1 4.43Å; L177-L179 PolarHBondContact O-N 2.88Å
178Q98.3Very high98.3Very high179 Ų17965.1 Ų65.184%0.83633%0.332SS*.THydrogen-bonded Turntrans52.843-172.9-57.8176.2-4.700111.7A174 R175A174-Q178 PolarHBondContact O-N 3.19Å; R175-Q178 PolarHBondContact O-N 3.42Å
179L98Very high98.3Very high20 Ų2064.9 Ų64.911%0.10532%0.321CS..  trans-115.8157.9175.4-64.9179.1000109.5F147 L155 A174 L177 Q183 V184F147-L179 HydrophobicContact CD1-CD1 4.39Å; F147-L179 HydrophobicContact CD1-CD2 3.84Å; F147-L179 HydrophobicContact CE1-CD1 4.27Å; F147-L179 HydrophobicContact CE1-CD2 3.69Å; L155-L179 HydrophobicContact CD1-CD1 4.17Å; A174-L179 CarbonylContact C-O 3.28Å; A174-L179 WeakPolarHBondContact CA-O 3.43Å; A174-L179 VanDerWaalsContact CB-O 3.31Å; A174-L179 WeakPolarHBondContact CB-O 3.37Å; A174-L179 PolarHBondContact O-N 3.41Å; A174-L179 VanDerWaalsContact O-O 3.08Å; L177-L179 HydrophobicContact CB-CD1 4.09Å; L177-L179 HydrophobicContact CB-CG 4.05Å; L177-L179 HydrophobicContact CD1-CD1 4.43Å; L177-L179 PolarHBondContact O-N 2.88Å; L179-Q183 HydrophobicContact CB-CB 4.36Å; L179-V184 HydrophobicContact CB-CG2 4.1Å; L179-V184 HydrophobicContact CD1-CG2 4.42Å
180T98.2Very high98.3Very high75 Ų7565.7 Ų65.746%0.4633%0.328SS..  trans-74.6150.616961.80000110.6T182 Q183 V184T180-T182 PolarHBondContact O-N 3.49Å; T180-Q183 WeakPolarHBondContact O-CB 3.29Å; T180-Q183 PolarHBondContact O-N 2.9Å; T180-Q183 WeakPolarHBondContact OG1-CB 3.45Å; T180-Q183 VanDerWaalsContact OG1-CD 3.31Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.26Å; T180-Q183 PolarHBondContact OG1-N 3.29Å; T180-Q183 VanDerWaalsContact OG1-N 3.13Å; T180-Q183 PolarHBondContact OG1-OE1 3.41Å; T180-V184 PolarHBondContact O-N 2.93Å; T180-V184 VanDerWaalsContact O-N 3.08Å
181E98.5Very high98.3Very high78 Ų7865.1 Ų65.136%0.36433%0.326SS..Hα-helixtrans-54-37.1173-71.2-174.7-11200112.1R170 V171 A174 V184 K185R170-E181 WeakPolarHBondContact CD-O 3.31Å; R170-E181 HydrophobicContact CG-CB 4.24Å; R170-E181 HydrophobicContact CG-CG 4.4Å; V171-E181 HydrophobicContact CG2-CG 4.19Å; V171-E181 VanDerWaalsContact CG2-OE2 3.3Å; V171-E181 WeakPolarHBondContact CG2-OE2 3.32Å; A174-E181 HydrophobicContact CB-CG 4.05Å; E181-V184 PolarHBondContact O-N 3.34Å; E181-K185 VanDerWaalsContact O-CB 3.26Å; E181-K185 WeakPolarHBondContact O-CB 3.37Å; E181-K185 PolarHBondContact O-N 2.94Å
182T98.1Very high98.3Very high85 Ų8564.7 Ų64.752%0.52132%0.319SS..Hα-helixtrans-62.7-42.7176-59.10000112T180 K185 I186T180-T182 PolarHBondContact O-N 3.49Å; T182-K185 PolarHBondContact O-N 3.31Å; T182-I186 HydrophobicContact CG2-CD1 3.84Å; T182-I186 HydrophobicContact CG2-CG1 4.44Å; T182-I186 WeakPolarHBondContact O-CB 3.2Å; T182-I186 VanDerWaalsContact O-CG1 3.26Å; T182-I186 WeakPolarHBondContact O-CG1 3.35Å; T182-I186 PolarHBondContact O-N 3.37Å
183Q98Very high98.3Very high63 Ų6365.7 Ų65.729%0.29432%0.319SS..Hα-helixtrans-62.8-44.9175.2-77.6164.5-40.300111.6F147 L179 T180 I186 W187F147-Q183 HydrophobicContact CZ-CB 4.2Å; F147-Q183 HydrophobicContact CZ-CG 4.45Å; L179-Q183 HydrophobicContact CB-CB 4.36Å; T180-Q183 WeakPolarHBondContact O-CB 3.29Å; T180-Q183 PolarHBondContact O-N 2.9Å; T180-Q183 WeakPolarHBondContact OG1-CB 3.45Å; T180-Q183 VanDerWaalsContact OG1-CD 3.31Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.26Å; T180-Q183 PolarHBondContact OG1-N 3.29Å; T180-Q183 VanDerWaalsContact OG1-N 3.13Å; T180-Q183 PolarHBondContact OG1-OE1 3.41Å; Q183-I186 PolarHBondContact O-N 3.28Å; Q183-W187 WeakPolarHBondContact O-CB 3.49Å; Q183-W187 PolarHBondContact O-N 2.89Å
184V98.6Very high98.2Very high0 Ų069.6 Ų69.60%034%0.335CS..Hα-helixtrans-61.6-45.4175.8177.90000110.5L155 L165 R170 L173 A174 L179 T180 E181 I186 W187 F188L155-V184 HydrophobicContact CD2-CG1 4.38Å; L165-V184 HydrophobicContact CD1-CG1 4.27Å; R170-V184 HydrophobicContact CG-CB 4.13Å; R170-V184 HydrophobicContact CG-CG1 3.96Å; L173-V184 HydrophobicContact CD2-CG1 4.01Å; A174-V184 HydrophobicContact CB-CG2 4.05Å; L179-V184 HydrophobicContact CB-CG2 4.1Å; L179-V184 HydrophobicContact CD1-CG2 4.42Å; T180-V184 PolarHBondContact O-N 2.93Å; T180-V184 VanDerWaalsContact O-N 3.08Å; E181-V184 PolarHBondContact O-N 3.34Å; V184-I186 PolarHBondContact O-N 3.21Å; V184-W187 PolarHBondContact O-N 3.47Å; V184-F188 HydrophobicContact CG1-CD2 3.81Å; V184-F188 HydrophobicContact CG1-CE2 4.01Å; V184-F188 WeakPolarHBondContact O-CB 3.43Å; V184-F188 WeakPolarHBondContact O-CD2 3.36Å; V184-F188 PolarHBondContact O-N 2.88Å
185K98.3Very high98.1Very high115 Ų11573.1 Ų73.150%0.535%0.348SS..Hα-helixtrans-57.9-47.8176.7175.2179141.3-179.10111.9E181 T182 F188 Q189E181-K185 VanDerWaalsContact O-CB 3.26Å; E181-K185 WeakPolarHBondContact O-CB 3.37Å; E181-K185 PolarHBondContact O-N 2.94Å; T182-K185 PolarHBondContact O-N 3.31Å; K185-F188 PolarHBondContact O-N 2.8Å; K185-Q189 WeakPolarHBondContact O-CB 3.18Å; K185-Q189 PolarHBondContact O-N 2.87Å
186I98.3Very high98Very high87 Ų8769.4 Ų69.445%0.44634%0.336SS..Hα-helixtrans-64.4-44178-70.3168.5000110.6T182 Q183 V184 F188 Q189 N190T182-I186 HydrophobicContact CG2-CD1 3.84Å; T182-I186 HydrophobicContact CG2-CG1 4.44Å; T182-I186 WeakPolarHBondContact O-CB 3.2Å; T182-I186 VanDerWaalsContact O-CG1 3.26Å; T182-I186 WeakPolarHBondContact O-CG1 3.35Å; T182-I186 PolarHBondContact O-N 3.37Å; Q183-I186 PolarHBondContact O-N 3.28Å; V184-I186 PolarHBondContact O-N 3.21Å; I186-F188 PolarHBondContact O-N 3.04Å; I186-Q189 WeakPolarHBondContact O-CB 3.38Å; I186-Q189 PolarHBondContact O-N 3.49Å; I186-N190 WeakPolarHBondContact O-CB 3.36Å; I186-N190 PolarHBondContact O-N 2.98Å
187W98.5Very high97.8Very high32 Ų3272 Ų7212%0.12133%0.334CS..Hα-helixtrans-60.6-47.8178.3-175.395.4000111.3F147 L155 E156 F159 Q183 V184 Q189 N190 R191F147-W187 AromaticContact CD2-CD1 3.86Å; F147-W187 HydrophobicContact CE2-CB 4.29Å; F147-W187 AromaticContact CE2-CD1 3.71Å; F147-W187 HydrophobicContact CE2-CG 4.33Å; L155-W187 HydrophobicContact CB-CD2 3.8Å; L155-W187 HydrophobicContact CB-CE3 3.83Å; L155-W187 HydrophobicContact CB-CH2 3.6Å; L155-W187 HydrophobicContact CB-CZ2 3.53Å; L155-W187 HydrophobicContact CB-CZ3 3.74Å; L155-W187 HydrophobicContact CD1-CD2 3.85Å; L155-W187 HydrophobicContact CD1-CG 3.82Å; L155-W187 HydrophobicContact CD2-CD2 4.11Å; L155-W187 HydrophobicContact CD2-CE3 3.97Å; L155-W187 HydrophobicContact CD2-CG 4.46Å; L155-W187 HydrophobicContact CG-CD2 4.14Å; L155-W187 HydrophobicContact CG-CE3 4.31Å; L155-W187 VanDerWaalsContact O-CH2 3.31Å; L155-W187 WeakPolarHBondContact O-CH2 3.26Å; L155-W187 WeakPolarHBondContact O-CZ3 3.45Å; E156-W187 HydrophobicContact CG-CH2 3.96Å; E156-W187 HydrophobicContact CG-CZ2 3.72Å; F159-W187 HydrophobicContact CB-CH2 3.99Å; F159-W187 HydrophobicContact CB-CZ3 3.95Å; F159-W187 HydrophobicContact CD2-CZ3 4.37Å; F159-W187 HydrophobicContact CG-CH2 4.49Å; F159-W187 HydrophobicContact CG-CZ3 4.4Å; Q183-W187 WeakPolarHBondContact O-CB 3.49Å; Q183-W187 PolarHBondContact O-N 2.89Å; V184-W187 PolarHBondContact O-N 3.47Å; W187-Q189 VanDerWaalsContact C-N 3.29Å; W187-Q189 PolarHBondContact O-N 2.86Å; W187-N190 PolarHBondContact O-N 3.08Å; W187-R191 HydrophobicContact CE3-CB 4.18Å; W187-R191 HydrophobicContact CH2-CB 3.95Å; W187-R191 HydrophobicContact CH2-CG 3.74Å; W187-R191 HydrophobicContact CZ2-CB 4.36Å; W187-R191 HydrophobicContact CZ2-CG 4.33Å; W187-R191 HydrophobicContact CZ3-CB 3.86Å; W187-R191 HydrophobicContact CZ3-CG 4.02Å; W187-R191 WeakPolarHBondContact O-CB 3.49Å; W187-R191 PolarHBondContact O-N 3.39Å
188F98.7Very high97.4Very high4 Ų474.9 Ų74.92%0.01835%0.348CS..Hα-helixtrans-61.3-38177-95.4-97000111.9L155 T158 F159 K162 L165 L173 V184 K185 I186 R191 R192L155-F188 HydrophobicContact CD2-CE2 4.15Å; T158-F188 HydrophobicContact CG2-CZ 4.12Å; F159-F188 HydrophobicContact CB-CE1 4.18Å; F159-F188 HydrophobicContact CB-CZ 4.37Å; F159-F188 AromaticContact CD2-CD1 3.81Å; F159-F188 HydrophobicContact CD2-CD1 3.81Å; F159-F188 AromaticContact CD2-CE1 3.78Å; F159-F188 HydrophobicContact CD2-CE1 3.78Å; F159-F188 HydrophobicContact CE2-CD1 4.47Å; F159-F188 HydrophobicContact CG-CE1 4.49Å; K162-F188 WeakPolarHBondContact O-CE1 3.25Å; L165-F188 HydrophobicContact CD1-CD1 4.47Å; L165-F188 HydrophobicContact CD1-CD2 4.01Å; L165-F188 HydrophobicContact CD1-CE1 3.93Å; L165-F188 HydrophobicContact CD1-CE2 3.42Å; L165-F188 VanDerWaalsContact CD1-CE2 3.42Å; L165-F188 HydrophobicContact CD1-CZ 3.38Å; L165-F188 HydrophobicContact CD2-CE1 4.18Å; L165-F188 HydrophobicContact CD2-CZ 4.11Å; L165-F188 HydrophobicContact CG-CD1 4.16Å; L165-F188 HydrophobicContact CG-CE1 3.63Å; L165-F188 HydrophobicContact CG-CE2 4.08Å; L165-F188 HydrophobicContact CG-CZ 3.61Å; L173-F188 HydrophobicContact CD2-CE2 3.84Å; L173-F188 HydrophobicContact CD2-CZ 4.34Å; V184-F188 HydrophobicContact CG1-CD2 3.81Å; V184-F188 HydrophobicContact CG1-CE2 4.01Å; V184-F188 WeakPolarHBondContact O-CB 3.43Å; V184-F188 WeakPolarHBondContact O-CD2 3.36Å; V184-F188 PolarHBondContact O-N 2.88Å; K185-F188 PolarHBondContact O-N 2.8Å; I186-F188 PolarHBondContact O-N 3.04Å; F188-R191 PolarHBondContact O-N 3.37Å; F188-R192 WeakPolarHBondContact O-CB 3.5Å; F188-R192 WeakPolarHBondContact O-CG 3.47Å; F188-R192 PolarHBondContact O-N 3.48Å
189Q98.3Very high96.9Very high83 Ų8367.8 Ų67.839%0.38832%0.316SS..Hα-helixtrans-64.3-47.1175.1-172.859.342.300111.9K185 I186 W187 R191 R192 N193K185-Q189 WeakPolarHBondContact O-CB 3.18Å; K185-Q189 PolarHBondContact O-N 2.87Å; I186-Q189 WeakPolarHBondContact O-CB 3.38Å; I186-Q189 PolarHBondContact O-N 3.49Å; W187-Q189 VanDerWaalsContact C-N 3.29Å; W187-Q189 PolarHBondContact O-N 2.86Å; Q189-R191 VanDerWaalsContact C-N 3.32Å; Q189-R191 PolarHBondContact O-N 3.32Å; Q189-R192 PolarHBondContact O-N 3.41Å; Q189-N193 PolarHBondContact O-N 3.46Å; Q189-N193 PolarHBondContact O-ND2 2.94Å
190N98.3Very high96.2Very high96 Ų9670 Ų7051%0.51333%0.328SS..Hα-helixtrans-62.7-40.9177-72-18.1000111.3I186 W187 N193 K194I186-N190 WeakPolarHBondContact O-CB 3.36Å; I186-N190 PolarHBondContact O-N 2.98Å; W187-N190 PolarHBondContact O-N 3.08Å; N190-N193 PolarHBondContact O-N 3.41Å; N190-K194 PolarHBondContact O-N 3.5Å
191R98.4Very high95.4Very high49 Ų4970.4 Ų70.419%0.18533%0.33CS..Hα-helixtrans-64.2-43.5177.6-174.563.1-173.9110.3-8.4111.8F159 W187 F188 Q189 K194 W195F159-R191 HydrophobicContact CB-CG 4.43Å; F159-R191 HydrophobicContact CD1-CG 3.62Å; F159-R191 HydrophobicContact CD2-CB 4.15Å; F159-R191 HydrophobicContact CD2-CG 3.62Å; F159-R191 HydrophobicContact CE1-CG 3.66Å; F159-R191 HydrophobicContact CE2-CB 4.1Å; F159-R191 HydrophobicContact CE2-CG 3.67Å; F159-R191 HydrophobicContact CG-CG 3.6Å; F159-R191 HydrophobicContact CZ-CB 4.45Å; F159-R191 HydrophobicContact CZ-CG 3.69Å; W187-R191 HydrophobicContact CE3-CB 4.18Å; W187-R191 HydrophobicContact CH2-CB 3.95Å; W187-R191 HydrophobicContact CH2-CG 3.74Å; W187-R191 HydrophobicContact CZ2-CB 4.36Å; W187-R191 HydrophobicContact CZ2-CG 4.33Å; W187-R191 HydrophobicContact CZ3-CB 3.86Å; W187-R191 HydrophobicContact CZ3-CG 4.02Å; W187-R191 WeakPolarHBondContact O-CB 3.49Å; W187-R191 PolarHBondContact O-N 3.39Å; F188-R191 PolarHBondContact O-N 3.37Å; Q189-R191 VanDerWaalsContact C-N 3.32Å; Q189-R191 PolarHBondContact O-N 3.32Å; R191-K194 PolarHBondContact O-N 3.38Å; R191-W195 WeakPolarHBondContact O-CB 3.49Å; R191-W195 PolarHBondContact O-N 3.37Å
192R98.3Very high94.2Very high38 Ų3871.6 Ų71.614%0.14334%0.339CS..Hα-helixtrans-61.2-42.9172.6-75.7-170.2-65.3-89.3-0.7112.4F159 R163 Y164 F188 Q189 K194 W195 K196F159-R192 HydrophobicContact CE2-CG 3.76Å; F159-R192 HydrophobicContact CZ-CG 4.2Å; R163-R192 PolarHBondContact O-NH1 3.23Å; R163-R192 VanDerWaalsContact O-NH1 3.11Å; Y164-R192 VanDerWaalsContact CZ-CD 3.4Å; F188-R192 WeakPolarHBondContact O-CB 3.5Å; F188-R192 WeakPolarHBondContact O-CG 3.47Å; F188-R192 PolarHBondContact O-N 3.48Å; Q189-R192 PolarHBondContact O-N 3.41Å; R192-K194 PolarHBondContact O-N 2.89Å; R192-W195 PolarHBondContact O-N 3.06Å; R192-K196 WeakPolarHBondContact O-CB 3.45Å; R192-K196 PolarHBondContact O-N 2.89Å
193N97.8Very high92.5Very high43 Ų4372 Ų7223%0.2333%0.332CS..Hα-helixtrans-61.6-43.3176-76.2-32.7000111.7Q189 N190 R197Q189-N193 PolarHBondContact O-N 3.46Å; Q189-N193 PolarHBondContact O-ND2 2.94Å; N190-N193 PolarHBondContact O-N 3.41Å; N193-R197 WeakPolarHBondContact O-CG 3.4Å; N193-R197 PolarHBondContact O-N 2.99Å; N193-R197 VanDerWaalsContact O-N 3.14Å
194K96.9Very high90.8Very high105 Ų10576.3 Ų76.346%0.45735%0.35SS..Hα-helixtrans-61.4-49.3174.4-175.3-177.3177.8-170.50111.1N190 R191 R192 K196 R197 Q198N190-K194 PolarHBondContact O-N 3.5Å; R191-K194 PolarHBondContact O-N 3.38Å; R192-K194 PolarHBondContact O-N 2.89Å; K194-K196 VanDerWaalsContact C-N 3.34Å; K194-K196 PolarHBondContact O-N 3.33Å; K194-R197 PolarHBondContact O-N 2.82Å; K194-R197 VanDerWaalsContact O-N 3.13Å; K194-Q198 HydrophobicContact CG-CG 4.5Å; K194-Q198 WeakPolarHBondContact O-CG 3.26Å; K194-Q198 PolarHBondContact O-N 3.49Å
195W96.5Very high88.9Confident79 Ų7979.8 Ų79.830%0.29937%0.374SS..Hα-helixtrans-57.3-45.8178.717366.8000111.9F159 R191 R192 R197 Q198 V199F159-W195 HydrophobicContact CE1-CB 4.48Å; F159-W195 HydrophobicContact CZ-CB 4.3Å; R191-W195 WeakPolarHBondContact O-CB 3.49Å; R191-W195 PolarHBondContact O-N 3.37Å; R192-W195 PolarHBondContact O-N 3.06Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 3.42Å; W195-Q198 WeakPolarHBondContact O-CB 3.37Å; W195-Q198 PolarHBondContact O-N 3.4Å; W195-Q198 VanDerWaalsContact O-N 3.16Å; W195-V199 HydrophobicContact CD2-CG2 4.43Å; W195-V199 HydrophobicContact CZ2-CG2 4.18Å; W195-V199 WeakPolarHBondContact O-CG2 3.49Å; W195-V199 PolarHBondContact O-N 2.93Å
196K95.1Very high87Confident108 Ų10878.8 Ų78.847%0.4738%0.378SS..Hα-helixtrans-56.7-45.8175.2-176.1172.863.2-178.50111.9R192 K194 Q198 V199 N200R192-K196 WeakPolarHBondContact O-CB 3.45Å; R192-K196 PolarHBondContact O-N 2.89Å; K194-K196 VanDerWaalsContact C-N 3.34Å; K194-K196 PolarHBondContact O-N 3.33Å; K196-Q198 PolarHBondContact O-N 2.85Å; K196-V199 PolarHBondContact O-N 3.29Å; K196-N200 PolarHBondContact O-N 3.43Å; K196-N200 VanDerWaalsContact O-N 3.11Å; K196-N200 PolarHBondContact O-OD1 3.08Å
197R94.3Very high84.9Confident163 Ų16380.6 Ų80.662%0.61539%0.388SS*.Hα-helixtrans-63.5-39.5177.4-68.2-176.9-162.9113-2.5112.6N193 K194 W195 N200 V201N193-R197 WeakPolarHBondContact O-CG 3.4Å; N193-R197 PolarHBondContact O-N 2.99Å; N193-R197 VanDerWaalsContact O-N 3.14Å; K194-R197 PolarHBondContact O-N 2.82Å; K194-R197 VanDerWaalsContact O-N 3.13Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 3.42Å; R197-N200 PolarHBondContact O-N 2.85Å; R197-V201 WeakPolarHBondContact O-CG2 3.34Å; R197-V201 PolarHBondContact O-N 2.98Å
198Q90.4Very high83Confident71 Ų7184.8 Ų84.833%0.33241%0.413SS..Hα-helixtrans-61-49.9177.2-70173.5-52.300110.4K194 W195 K196 N200 V201 D202K194-Q198 HydrophobicContact CG-CG 4.5Å; K194-Q198 WeakPolarHBondContact O-CG 3.26Å; K194-Q198 PolarHBondContact O-N 3.49Å; W195-Q198 WeakPolarHBondContact O-CB 3.37Å; W195-Q198 PolarHBondContact O-N 3.4Å; W195-Q198 VanDerWaalsContact O-N 3.16Å; K196-Q198 PolarHBondContact O-N 2.85Å; Q198-N200 PolarHBondContact O-N 3.23Å; Q198-V201 PolarHBondContact O-N 3.47Å; Q198-D202 PolarHBondContact O-N 2.88Å
199V88.3Confident80.9Confident30 Ų3089 Ų8918%0.18244%0.443CS..Hα-helixtrans-57.5-35.3176.9175.80000112W195 K196 Y203W195-V199 HydrophobicContact CD2-CG2 4.43Å; W195-V199 HydrophobicContact CZ2-CG2 4.18Å; W195-V199 WeakPolarHBondContact O-CG2 3.49Å; W195-V199 PolarHBondContact O-N 2.93Å; K196-V199 PolarHBondContact O-N 3.29Å; V199-Y203 HydrophobicContact CG1-CE2 3.82Å; V199-Y203 WeakPolarHBondContact O-CD2 3.39Å; V199-Y203 VanDerWaalsContact O-CE2 3.28Å; V199-Y203 WeakPolarHBondContact O-CE2 3.42Å
200N82.2Confident78.6Confident67 Ų6792.5 Ų92.536%0.35846%0.464SS..Hα-helixtrans-74.3-23.9177.4-72.9116.9000114.7K196 R197 Q198K196-N200 PolarHBondContact O-N 3.43Å; K196-N200 VanDerWaalsContact O-N 3.11Å; K196-N200 PolarHBondContact O-OD1 3.08Å; R197-N200 PolarHBondContact O-N 2.85Å; Q198-N200 PolarHBondContact O-N 3.23Å
201V81.5Confident76.3Confident83 Ų8392 Ų9250%0.50347%0.468SS..Hα-helixtrans-78.5-38.7-179.8170.50000110.4R197 Q198 Y203 K204 S205R197-V201 WeakPolarHBondContact O-CG2 3.34Å; R197-V201 PolarHBondContact O-N 2.98Å; Q198-V201 PolarHBondContact O-N 3.47Å; V201-Y203 PolarHBondContact O-N 3.47Å; V201-K204 PolarHBondContact O-N 2.83Å; V201-S205 PolarHBondContact O-N 3.5Å; V201-S205 PolarHBondContact O-OG 2.64Å
202D72.7Confident74Confident103 Ų10396.6 Ų96.655%0.55150%0.496SS*.Hα-helixtrans-62.8-27.9-176.6-57.1-29.9000113Q198 T206Q198-D202 PolarHBondContact O-N 2.88Å; D202-T206 PolarHBondContact O-OG1 3.22Å
203Y62.6Low71.8Confident93 Ų93102.3 Ų102.337%0.36553%0.53SS..Hα-helixtrans-77.9-20176.8-68.6-69.4000114.8V199 V201 I431V199-Y203 HydrophobicContact CG1-CE2 3.82Å; V199-Y203 WeakPolarHBondContact O-CD2 3.39Å; V199-Y203 VanDerWaalsContact O-CE2 3.28Å; V199-Y203 WeakPolarHBondContact O-CE2 3.42Å; V201-Y203 PolarHBondContact O-N 3.47Å; Y203-I431 HydrophobicContact CE2-CG2 3.84Å; Y203-I431 WeakPolarHBondContact OH-CG2 3.23Å
204K62.1Low69.4Low153 Ų153107.6 Ų107.667%0.66556%0.557SS**Hα-helixtrans-87.6-39.8178.7-73-170.5165.4-1200111.2V201 T206 N207V201-K204 PolarHBondContact O-N 2.83Å; K204-T206 PolarHBondContact O-N 2.94Å; K204-N207 PolarHBondContact O-N 3.18Å
205S58.8Low66.8Low74 Ų74110 Ų11052%0.51757%0.573SS.*Hα-helixtrans-66.8-23.9-177.2-54.80000113.7V201 S209V201-S205 PolarHBondContact O-N 3.5Å; V201-S205 PolarHBondContact O-OG 2.64Å; S205-S209 PolarHBondContact O-OG 3.35Å
206T59.7Low64.2Low93 Ų93112 Ų11257%0.57160%0.599SS**THydrogen-bonded Turntrans-87.8-20.9-17953.50000114.5D202 K204D202-T206 PolarHBondContact O-OG1 3.22Å; K204-T206 PolarHBondContact O-N 2.94Å
207N53.8Low61.5Low125 Ų125112.4 Ų112.467%0.66862%0.616SS**THydrogen-bonded Turntrans-92.7-24.7-177.2-77.9-9000113.8K204K204-N207 PolarHBondContact O-N 3.18Å
208D57.5Low58.9Low120 Ų120115.7 Ų115.764%0.64263%0.628SS**THydrogen-bonded Turntrans-90.7-1.5-176.7-63.7-21.5000113.3
209S56.3Low56.7Low92 Ų92117.3 Ų117.364%0.64365%0.647SS**THydrogen-bonded Turntrans-93.88.4-175.3-58.20000115S205S205-S209 PolarHBondContact O-OG 3.35Å
210N49Very low54.5Low158 Ų158122.2 Ų122.285%0.84568%0.677SS**SBendtrans-129.416.2-175.5-82.1-27.4000115.4
211S49.4Very low52.5Low85 Ų85122.1 Ų122.159%0.59469%0.692SS**SBendtrans-127.3-2.2-176.558.30000118.2
212D51.4Low50.9Low145 Ų145126.1 Ų126.178%0.77571%0.709SS**  trans-121.456.5-174.7-66.6-26000113.6
213D50.9Low49.6Very low158 Ų158128.6 Ų128.685%0.84572%0.721SS**SBendtrans-131.186.1157.9-85.2-38.6000106.6
214I48Very low48.4Very low155 Ų155131.1 Ų131.180%0.79574%0.739SS**SBendtrans165.4113.6159.1-86152.9000108.2
215I42.9Very low47.5Very low154 Ų154129.9 Ų129.979%0.7975%0.747SS**  trans80.988.7164.6-49.3155.2000117.1
216S41Very low46.6Very low121 Ų121131.1 Ų131.185%0.84676%0.756SS**  -165.577.7129-92.90000111.9
217S39.8Very low45.7Very low118 Ų118131.4 Ų131.483%0.82576%0.762SS**  trans-86.3104.5153.8-480000108.2
218R39.3Very low45.6Very low232 Ų232133.1 Ų133.188%0.87577%0.767SS**  trans176.4128.6144.2-104.4158.685.8-174.35.6111.6
219S43.3Very low45Very low104 Ų104135 Ų13573%0.72778%0.776SS**  trans75129.7140.1-69.90000117.5
220T42.7Very low44.2Very low133 Ų133133.4 Ų133.482%0.81678%0.775SS**  cis-170.7136.50.4-58.20000107
221G40.3Very low43.8Very low65 Ų65132.1 Ų132.167%0.6777%0.773SS**  trans88.6106.7140.900000119.8
222I46.9Very low43.6Very low167 Ų167134.4 Ų134.486%0.85678%0.783SS**  -152.6105.7118.7-64.6-153.2000109.1
223I45.6Very low43.1Very low156 Ų156137.5 Ų137.580%0.879%0.789SS**  trans12.2110.3144.9-49.7174.7000120.2
224L38.7Very low42.4Very low145 Ų145138.1 Ų138.176%0.75979%0.792SS**  trans15.5162.2131.4-70.9170.5000122.4
225P43Very low41.9Very low127 Ų127139.8 Ų139.883%0.82580%0.796SS**  cis-140.2168.223.434.6-11.6000119.6
226S39.9Very low41.6Very low100 Ų100138 Ų13870%0.69979%0.793SS**  trans-73.7159-176.3-46.70000116.6
227S40.6Very low41.6Very low100 Ų100138 Ų13870%0.69979%0.792SS**  trans-170.3125.4138.3-95.80000114.4
228M50.6Low41.5Very low160 Ų160138.6 Ų138.679%0.78879%0.791SS**  trans73.4135.5150.9-47.1-70.1120.600116.7
229I45.6Very low41.8Very low159 Ų159134 Ų13482%0.81579%0.789SS**  cis-164.9152.217-150.181.3000110.7
230G38.6Very low41.5Very low60 Ų60136.1 Ų136.162%0.61979%0.792SS**  trans86.789148.200000118.8
231T42.5Very low41.6Very low131 Ų131139.1 Ų139.180%0.80479%0.794SS**  41.4115.981.873.70000114.2
232T44.3Very low41.6Very low132 Ų132142.9 Ų142.981%0.8180%0.799SS**  -170.2141.267.941.20000113
233K41.5Very low41.4Very low210 Ų210140 Ų14091%0.91379%0.791SS**  trans39.9122145.1-99.2174.8173.1179.90123.3
234L35.2Very low41.1Very low172 Ų172138.2 Ų138.290%0.90179%0.792SS**  trans-53.8143.8153.8-66.7152.2000113.6
235Q38.7Very low41.3Very low189 Ų189137 Ų13788%0.88380%0.797SS**  trans-153.8132.3137.8-164.9165.2-1600111.5
236T35.8Very low41.3Very low118 Ų118137 Ų13772%0.72479%0.794SS**  trans-78141.1175.951.70000112
237S39.8Very low41.5Very low119 Ų119141.4 Ų141.483%0.83280%0.803SS**  174.4138.912854.30000112.2
238V39.4Very low41.4Very low131 Ų131144 Ų14479%0.79481%0.807SS**  trans-55.2148.8174.9-67.80000115
239T44.2Very low40.9Very low137 Ų137142.3 Ų142.384%0.8481%0.812SS**  179.6138.7123.538.20000110.4
240D37.6Very low40.4Very low147 Ų147138.2 Ų138.279%0.78681%0.808SS**  trans-54.4155.8178.4-55.2-71.9000115.1
241F45.1Very low40.2Very low197 Ų197140.8 Ų140.886%0.86482%0.817SS**  176.4118123.3-109.7-91.1000112.1
242D40Very low40.1Very low143 Ų143142.5 Ų142.577%0.76582%0.819SS**  trans52.7127.6136.7-149.726000122.7
243P41.9Very low39.6Very low107 Ų107138.8 Ų138.870%0.69581%0.807SS**  trans-101.3135.7176.536-25.3000112.7
244S40.4Very low39.9Very low118 Ų118133.6 Ų133.683%0.82580%0.795SS**  trans-179.6109.5152.5-81.70000111.7
245S43.3Very low40.2Very low121 Ų121132 Ų13285%0.84679%0.793SS**  trans177.9116.6135.4-85.50000111.9
246T42.2Very low40.2Very low126 Ų126131.8 Ų131.877%0.77379%0.79SS**  trans-59.6129.8165.734.80000112.8
247H44.8Very low40.3Very low192 Ų192131 Ų13189%0.88979%0.789SS**  trans-138117.9145.6-94.3-89.4000108.7
248I38.8Very low40.1Very low154 Ų154132.9 Ų132.979%0.7979%0.789SS**  trans-95.5124.6174.9-59.1169.1000107.3
249S39Very low40Very low126 Ų126133.9 Ų133.988%0.88179%0.789SS**  trans-173.7135.8148.7-87.60000111.3
250G36Very low39.6Very low72 Ų72133.3 Ų133.374%0.74278%0.781SS**  trans106.677.914700000118.5
251S33.2Very low39.4Very low115 Ų115134.1 Ų134.180%0.80478%0.778SS**  trans-10.3118.8145.6169.90000118.1
252I40.2Very low39.1Very low166 Ų166133.3 Ų133.385%0.85178%0.779SS**  trans-147.2123.5135.8-73.1110.5000106.9
253G33.6Very low38.9Very low54 Ų54133 Ų13356%0.55778%0.778SS**  trans-71.2157.1-175.200000114.2T255G253-T255 PolarHBondContact O-N 3.18Å
254P48.5Very low38.7Very low102 Ų102130.9 Ų130.966%0.66276%0.763SS**  trans-76.6122.2178.630.3-30000110.1F256P254-F256 HydrophobicContact CG-CE1 4.08Å; P254-F256 HydrophobicContact CG-CZ 3.93Å; P254-F256 WeakPolarHBondContact O-CE2 3.31Å; P254-F256 PolarHBondContact O-N 3.46Å
255T42.4Very low38.4Very low139 Ų139128.9 Ų128.985%0.85375%0.749SS**  trans-66.1112.8165.445.50000108.8G253 S257G253-T255 PolarHBondContact O-N 3.18Å; T255-S257 PolarHBondContact O-N 3.21Å
256F37.6Very low38.4Very low184 Ų184127.3 Ų127.381%0.80774%0.738SS**  trans-80.7113.2174.3-48.7-79.7000109P254 L258P254-F256 HydrophobicContact CG-CE1 4.08Å; P254-F256 HydrophobicContact CG-CZ 3.93Å; P254-F256 WeakPolarHBondContact O-CE2 3.31Å; P254-F256 PolarHBondContact O-N 3.46Å; F256-L258 PolarHBondContact O-N 2.8Å
257S37.5Very low38.5Very low102 Ų102124.4 Ų124.471%0.71373%0.727SS**  trans-55.5128.3169.8-890000111T255 N259T255-S257 PolarHBondContact O-N 3.21Å; S257-N259 PolarHBondContact O-N 3.09Å
258L36.7Very low38.3Very low158 Ų158120 Ų12083%0.82771%0.709SS**G310 helixtrans-62.63.4-179.5-90.1151.1000115.3F256 N260F256-L258 PolarHBondContact O-N 2.8Å; L258-N260 VanDerWaalsContact C-N 3.33Å; L258-N260 PolarHBondContact O-N 3.11Å
259N37.1Very low38.5Very low151 Ų151119 Ų11981%0.80770%0.701SS**G310 helixtrans-85.23.9-175.4-70.4-7.9000114.8S257S257-N259 PolarHBondContact O-N 3.09Å
260N36.6Very low38.8Very low125 Ų125116.1 Ų116.167%0.66868%0.68SS**G310 helixtrans-111.516.3179.4-90.6-20000115.4L258 M262 N263L258-N260 VanDerWaalsContact C-N 3.33Å; L258-N260 PolarHBondContact O-N 3.11Å; N260-M262 PolarHBondContact O-N 3.35Å; N260-N263 PolarHBondContact O-N 3.24Å
261F31.7Very low39.2Very low165 Ų165120.9 Ų120.972%0.72468%0.676SS**THydrogen-bonded Turntrans-65-7.4-174.7-165.8-105.9000115.4
262M39.2Very low40Very low179 Ų179119.2 Ų119.288%0.88266%0.661SS**THydrogen-bonded Turntrans-92-4.6176.4-82-101.897.400115.2N260N260-M262 PolarHBondContact O-N 3.35Å
263N36.1Very low40.1Very low137 Ų137113.6 Ų113.673%0.73364%0.639SS**  trans-101.327.5-178.6-101.8-5.5000114.8N260 S265N260-N263 PolarHBondContact O-N 3.24Å; N263-S265 PolarHBondContact O-N 3.46Å
264T37.4Very low40.3Very low62 Ų62115.7 Ų115.738%0.3864%0.638SS.*Hα-helixtrans-82-5.2-173.151.60000115.6I268T264-I268 WeakPolarHBondContact O-CD1 3.49Å; T264-I268 VanDerWaalsContact O-CG1 3.24Å; T264-I268 WeakPolarHBondContact O-CG1 3.46Å; T264-I268 PolarHBondContact O-N 3.01Å; T264-I268 VanDerWaalsContact O-N 3.14Å
265S35.1Very low40Very low77 Ų77114 Ų11454%0.53862%0.623SS.*Hα-helixtrans-66.3-39.7-179.8-87.80000113.3N263 E269N263-S265 PolarHBondContact O-N 3.46Å; S265-E269 WeakPolarHBondContact O-CB 3.43Å; S265-E269 VanDerWaalsContact O-CG 3.31Å; S265-E269 WeakPolarHBondContact O-CG 3.26Å; S265-E269 PolarHBondContact O-N 2.87Å
266S43.8Very low39.8Very low87 Ų87114.8 Ų114.861%0.60861%0.611SS**Hα-helixtrans-71.9-37.5179.1179.80000112.5I268 E269 S270S266-I268 PolarHBondContact O-N 3.5Å; S266-E269 PolarHBondContact O-N 3.47Å; S266-S270 WeakPolarHBondContact O-CB 3.46Å; S266-S270 PolarHBondContact O-N 3Å
267A42.9Very low40Very low66 Ų66111.6 Ų111.655%0.54560%0.602SS.*Hα-helixtrans-67.9-35.8177.500000112.4W271A267-W271 WeakPolarHBondContact O-CB 3.43Å; A267-W271 PolarHBondContact O-N 3.5Å
268I41.4Very low39.9Very low99 Ų99114.1 Ų114.151%0.50860%0.602SS.*Hα-helixtrans-71.6-39.9175.2-66.7166.7000110.6T264 S266 W271 V272T264-I268 WeakPolarHBondContact O-CD1 3.49Å; T264-I268 VanDerWaalsContact O-CG1 3.24Å; T264-I268 WeakPolarHBondContact O-CG1 3.46Å; T264-I268 PolarHBondContact O-N 3.01Å; T264-I268 VanDerWaalsContact O-N 3.14Å; S266-I268 PolarHBondContact O-N 3.5Å; I268-W271 PolarHBondContact O-N 2.9Å; I268-V272 HydrophobicContact CG2-CG2 4.39Å; I268-V272 WeakPolarHBondContact O-CB 3.37Å; I268-V272 VanDerWaalsContact O-CG2 3.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.4Å; I268-V272 PolarHBondContact O-N 3.29Å
269E43.3Very low39.8Very low134 Ų134110.2 Ų110.263%0.62659%0.588SS**Hα-helixtrans-65.3-39.4175.1-76.1172.3-175.400112.1S265 S266 V272 A273S265-E269 WeakPolarHBondContact O-CB 3.43Å; S265-E269 VanDerWaalsContact O-CG 3.31Å; S265-E269 WeakPolarHBondContact O-CG 3.26Å; S265-E269 PolarHBondContact O-N 2.87Å; S266-E269 PolarHBondContact O-N 3.47Å; E269-V272 PolarHBondContact O-N 3.37Å; E269-A273 VanDerWaalsContact O-CB 3.3Å; E269-A273 WeakPolarHBondContact O-CB 3.3Å; E269-A273 PolarHBondContact O-N 2.88Å
270S44.4Very low39.8Very low64 Ų64108.1 Ų108.145%0.44858%0.577SS.*Hα-helixtrans-69.1-33.6174.8-154.40000112.3S266 N274S266-S270 WeakPolarHBondContact O-CB 3.46Å; S266-S270 PolarHBondContact O-N 3Å; S270-N274 VanDerWaalsContact O-CB 3.26Å; S270-N274 WeakPolarHBondContact O-CB 3.41Å; S270-N274 PolarHBondContact O-N 2.85Å; S270-N274 PolarHBondContact O-ND2 3.13Å
271W44.3Very low39.8Very low172 Ų172108 Ų10865%0.65258%0.58SS**Hα-helixtrans-71.1-40.3173.8-172.480.9000111.9A267 I268 N274 N275A267-W271 WeakPolarHBondContact O-CB 3.43Å; A267-W271 PolarHBondContact O-N 3.5Å; I268-W271 PolarHBondContact O-N 2.9Å; W271-N274 PolarHBondContact O-N 3.35Å; W271-N275 VanDerWaalsContact CD1-ND2 3.34Å; W271-N275 VanDerWaalsContact CE2-ND2 3.25Å; W271-N275 PolarHBondContact NE1-ND2 2.99Å; W271-N275 VanDerWaalsContact NE1-ND2 3.16Å; W271-N275 WeakPolarHBondContact O-CB 3.26Å; W271-N275 PolarHBondContact O-N 3.36Å; W271-N275 PolarHBondContact O-ND2 3.29Å
272V50.6Low40Very low80 Ų80107.3 Ų107.349%0.48558%0.583SS.*Hα-helixtrans-66.5-41.8174.8172.20000110.7I268 E269 Y276I268-V272 HydrophobicContact CG2-CG2 4.39Å; I268-V272 WeakPolarHBondContact O-CB 3.37Å; I268-V272 VanDerWaalsContact O-CG2 3.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.4Å; I268-V272 PolarHBondContact O-N 3.29Å; E269-V272 PolarHBondContact O-N 3.37Å; V272-Y276 WeakPolarHBondContact O-CB 3.48Å; V272-Y276 PolarHBondContact O-N 2.85Å
273A41.3Very low39.6Very low48 Ų48104 Ų10440%0.39757%0.569SS.*Hα-helixtrans-63.4-46.3174.700000112E269 N275 Y276 I277E269-A273 VanDerWaalsContact O-CB 3.3Å; E269-A273 WeakPolarHBondContact O-CB 3.3Å; E269-A273 PolarHBondContact O-N 2.88Å; A273-N275 PolarHBondContact O-N 3.25Å; A273-Y276 PolarHBondContact O-N 3.42Å; A273-I277 WeakPolarHBondContact O-CD1 3.31Å; A273-I277 WeakPolarHBondContact O-CG1 3.41Å; A273-I277 PolarHBondContact O-N 3.42Å; A273-I277 VanDerWaalsContact O-N 3.17Å
274N39.3Very low39.6Very low98 Ų98103.3 Ų103.352%0.52457%0.572SS.*Hα-helixtrans-67.1-33.9179.3-82.5-25000113.4S270 W271S270-N274 VanDerWaalsContact O-CB 3.26Å; S270-N274 WeakPolarHBondContact O-CB 3.41Å; S270-N274 PolarHBondContact O-N 2.85Å; S270-N274 PolarHBondContact O-ND2 3.13Å; W271-N274 PolarHBondContact O-N 3.35Å
275N42.5Very low39.6Very low67 Ų67106.7 Ų106.736%0.35859%0.587SS.*Hα-helixtrans-83.9-26.9177.7-74.3-86.7000113.1W271 A273 I277 Q278 S279W271-N275 VanDerWaalsContact CD1-ND2 3.34Å; W271-N275 VanDerWaalsContact CE2-ND2 3.25Å; W271-N275 PolarHBondContact NE1-ND2 2.99Å; W271-N275 VanDerWaalsContact NE1-ND2 3.16Å; W271-N275 WeakPolarHBondContact O-CB 3.26Å; W271-N275 PolarHBondContact O-N 3.36Å; W271-N275 PolarHBondContact O-ND2 3.29Å; A273-N275 PolarHBondContact O-N 3.25Å; N275-I277 VanDerWaalsContact C-N 3.29Å; N275-Q278 PolarHBondContact O-N 3.43Å; N275-S279 PolarHBondContact O-N 3.37Å
276Y37.2Very low39.6Very low155 Ų155112.3 Ų112.361%0.60860%0.598SS**Hα-helixtrans-70.7-26.3172.9-165-101.5000112.3V272 A273 S279V272-Y276 WeakPolarHBondContact O-CB 3.48Å; V272-Y276 PolarHBondContact O-N 2.85Å; A273-Y276 PolarHBondContact O-N 3.42Å; Y276-S279 PolarHBondContact O-OG 2.89Å
277I41Very low39.2Very low118 Ų118115.4 Ų115.461%0.60561%0.607SS**Hα-helixtrans-76.4-29.8174.5-68166.2000111.8A273 N275A273-I277 WeakPolarHBondContact O-CD1 3.31Å; A273-I277 WeakPolarHBondContact O-CG1 3.41Å; A273-I277 PolarHBondContact O-N 3.42Å; A273-I277 VanDerWaalsContact O-N 3.17Å; N275-I277 VanDerWaalsContact C-N 3.29Å
278Q35.3Very low38.9Very low154 Ų154120.8 Ų120.872%0.7262%0.621SS**Hα-helixtrans-81.4-25.7178.3-70.9-166.2-2.400114.1N275 N280N275-Q278 PolarHBondContact O-N 3.43Å; Q278-N280 VanDerWaalsContact C-N 3.34Å; Q278-N280 PolarHBondContact O-N 3.26Å
279S35.1Very low38.5Very low76 Ų76121.3 Ų121.353%0.53163%0.633SS.*THydrogen-bonded Turntrans-81.1-6.7-178.460.30000115.1N275 Y276N275-S279 PolarHBondContact O-N 3.37Å; Y276-S279 PolarHBondContact O-OG 2.89Å
280N37.1Very low38.3Very low107 Ų107121.2 Ų121.257%0.57264%0.636SS**THydrogen-bonded Turntrans-105.318.4-175.9-73.90.2000114.5Q278 I282Q278-N280 VanDerWaalsContact C-N 3.34Å; Q278-N280 PolarHBondContact O-N 3.26Å; N280-I282 PolarHBondContact O-N 3.02Å
281V37.3Very low38Very low122 Ų122125.4 Ų125.474%0.73965%0.653SS**  trans-82.116175.4-173.40000112.8
282I35.4Very low37.5Very low152 Ų152124 Ų12478%0.77966%0.658SS**SBendtrans-103.594.9177.7-56.9176.9000109.9N280N280-I282 PolarHBondContact O-N 3.02Å
283N30.2Very low36.8Very low109 Ų109127.9 Ų127.958%0.58368%0.677SS**  trans23.1105.9158.6-158.2-5.3000117.6N285N283-N285 PolarHBondContact O-N 2.93Å; N283-N285 PolarHBondContact OD1-N 3.49Å; N283-N285 PolarHBondContact OD1-ND2 3.4Å
284P36Very low36.8Very low123 Ų123135 Ų13580%0.79970%0.699SS**THydrogen-bonded Turntrans-72.97.3-17930.7-33.6000114.8
285N38.7Very low36.9Very low133 Ų133137.1 Ų137.171%0.71171%0.71SS**THydrogen-bonded Turntrans-93.310.5-174.1-72.2-55.7000116.1N283N283-N285 PolarHBondContact O-N 2.93Å; N283-N285 PolarHBondContact OD1-N 3.49Å; N283-N285 PolarHBondContact OD1-ND2 3.4Å
286Y34.8Very low36.8Very low195 Ų195141.9 Ų141.977%0.76574%0.735SS**SBendtrans-99.8-5.9-175.5-153.6-102.2000115.7
287L35Very low36.9Very low152 Ų152142.2 Ų142.280%0.79675%0.746SS**SBendtrans-115.218.7-178.7-69.8-176.7000115.3
288Q37.1Very low36.9Very low179 Ų179142.1 Ų142.184%0.83675%0.753SS**SBendtrans-102.43.5177.1-152.473.532.800114
289S33.6Very low37Very low110 Ų110140.4 Ų140.477%0.76976%0.755SS**SBendtrans-114.39.8-172.7-1630000116
290I38.6Very low36.7Very low131 Ų131142.7 Ų142.767%0.67277%0.77SS**SBendtrans-114.113.6-169.1-46.9179.4000113.6
291N36.7Very low36.5Very low153 Ų153142.3 Ų142.382%0.81878%0.775SS**SBendtrans-132.47.8-179.7-119.1-9.2000117.7
292N35.1Very low36.4Very low142 Ų142142.4 Ų142.476%0.75977%0.772SS**SBendtrans-13192173.7-66.9-26.5000108.7
293N35.7Very low36.2Very low162 Ų162142 Ų14287%0.86677%0.771SS**  trans173.392.3143.5-84.4-24.2000109.4N295N293-N295 PolarHBondContact O-N 2.79Å
294K40.8Very low36.6Very low197 Ų197147.6 Ų147.686%0.85779%0.786SS**  trans-71.7114.6153.5-55.4179.2-174.6178.80105.3
295N42.2Very low36.5Very low143 Ų143149 Ų14977%0.76579%0.786SS**  trans141.7126.5154.5-69.7-22.6000110.9N293N293-N295 PolarHBondContact O-N 2.79Å
296L40.2Very low36.3Very low167 Ų167147 Ų14787%0.87478%0.783SS**  trans87.8127.2161.5-61.1132.5000117.4
297L38.4Very low36.6Very low162 Ų162146.1 Ų146.185%0.84878%0.782SS**  trans-64.8158.4-168-76.777.2000114.8
298P40.9Very low36.7Very low116 Ų116144.6 Ų144.675%0.75378%0.775SS**  trans-89.2163.5167.338.4-31.5000111.4
299P38.1Very low36.8Very low118 Ų118143.6 Ų143.677%0.76677%0.77SS**  -149.8153.7102.835.3-16.9000116.6
300C28.3Very low37.3Very low123 Ų123145 Ų14583%0.83177%0.768SS**  trans40.2127143.2-75.60000123.1
301S33.4Very low37.2Very low99 Ų99147.4 Ų147.469%0.69277%0.773SS**  118137.4120.387.70000119.6
302D34.7Very low37Very low124 Ų124146.6 Ų146.666%0.66377%0.768SS**  trans83.2101147.2-52-39.1000122.2
303N32.2Very low37.2Very low145 Ų145147.5 Ų147.578%0.77577%0.773SS**  37111121.5-69.1-36.2000119.9
304Y38.1Very low37.2Very low225 Ų225143.6 Ų143.688%0.88276%0.758SS**  trans-148.6103.1140.9-83.5-81.9000108.5
305L33.2Very low37Very low153 Ų153144.9 Ų144.980%0.80176%0.759SS**  83.2121.978.1-15183000114.9
306S35.5Very low36.9Very low92 Ų92143.1 Ų143.164%0.64376%0.756SS**  trans84.6116143.6-107.20000120.6
307K40.6Very low36.5Very low175 Ų175142.6 Ų142.676%0.76175%0.753SS**  -179.3124.188.1-129.5115.8-177.8177.20113.9
308N38.3Very low36.5Very low120 Ų120143.2 Ų143.264%0.64276%0.757SS**  trans62.2133.4133.8-61.2-4.9000120.4
309H38.3Very low36Very low158 Ų158143.6 Ų143.673%0.73175%0.753SS**  cis-173.5148.125.5-130.7-130.2000112.4
310I43.1Very low36.3Very low140 Ų140146.3 Ų146.372%0.71876%0.759SS**  trans107.8108.8145.7-58.6156.3000121.6
311K37.6Very low36.7Very low182 Ų182146.7 Ų146.779%0.79175%0.753SS**  trans68.599.2148.3-89162.7169.8171.80120.2
312L32.8Very low37.2Very low136 Ų136146.7 Ų146.771%0.71275%0.75SS**  75.1102.581.7-82.5165.8000114.2
313N38.2Very low37.3Very low161 Ų161149.4 Ų149.486%0.86176%0.759SS**  -162.2123.5110.2-90.5-18.3000111.1
314S36.2Very low37.5Very low79 Ų79148.8 Ų148.855%0.55275%0.754SS**  trans-54.1156.4174-49.50000112.4
315Y37.6Very low37.5Very low224 Ų224143.8 Ų143.888%0.87875%0.747SS**  -160.216465.3-78.7-81.4000113.2
316P39Very low37.6Very low107 Ų107141.7 Ų141.770%0.69575%0.745SS**  trans-113.2159.1-148.340.1-30.3000116.7
317L31.6Very low37.6Very low156 Ų156142.2 Ų142.282%0.81775%0.749SS**  trans16.3131.9143.4-65.2161.7000119.5
318N39.5Very low37.5Very low175 Ų175138.1 Ų138.194%0.93674%0.742SS**  trans-140.6134.2130.7-105-12.9000112.3
319N30.9Very low37.5Very low123 Ų123138.8 Ų138.866%0.65875%0.746SS**  trans-107.1129.6-167.217035.8000108.1
320I44Very low37.6Very low176 Ų176138.5 Ų138.590%0.90375%0.75SS**  trans-141120.8155.7-56.7-178.6000108.2
321N35Very low37.6Very low130 Ų130140.7 Ų140.770%0.69576%0.759SS**  trans-98.2-165.1-173.5-152.318.1000109.3
322P43.9Very low37.6Very low99 Ų99140.6 Ų140.664%0.64376%0.761SS**  -119.1175.5-114.637.7-18.4000114
323H38.4Very low38Very low182 Ų182138.4 Ų138.484%0.84376%0.755SS**  trans-135.9103.1167.2-134.5-78.1000112.6
324I35.1Very low38.2Very low132 Ų132136.9 Ų136.968%0.67775%0.752SS**  trans-6131.8135.1-24.1-179.1000113.1
325T39.2Very low38Very low119 Ų119139.3 Ų139.373%0.7376%0.759SS**  -173146.766.645.30000113.3
326S34.9Very low38Very low110 Ų110136.3 Ų136.377%0.76976%0.757SS**  trans-22.5161.114755.10000116.9
327S36Very low37.8Very low102 Ų102136.3 Ų136.371%0.71376%0.759SS**  cis-176.5166.313150.20000107
328S37.5Very low37.9Very low89 Ų89135.7 Ų135.762%0.62276%0.755SS**  trans80.4120.5148.8420000121.4
329D38.8Very low37.8Very low134 Ų134132.3 Ų132.372%0.71775%0.745SS**  trans77.6106.8134.3-52.1-18.4000118.8
330N41.1Very low38Very low152 Ų152131.4 Ų131.481%0.81375%0.749SS**  166145.2100.3-84.5-55.4000113.4
331M41.5Very low37.5Very low187 Ų187135.1 Ų135.192%0.92175%0.752SS**  trans93.8113.1154.2-51.1-148.170.900120.8
332H38.8Very low37.8Very low180 Ų180133.9 Ų133.983%0.83375%0.752SS**  trans-79.8175.1171.3-168.2-121.9000110
333P40.2Very low37.3Very low89 Ų89138.2 Ų138.258%0.57876%0.763SS**  -114.7172.9-122.916.413.7000109.9
334T42.1Very low37.1Very low130 Ų130132.9 Ų132.980%0.79876%0.758SS**  trans-150.8136.5159.2-36.50000109.8
335D32.6Very low37.2Very low130 Ų130134.7 Ų134.770%0.69577%0.769SS**  trans12.4131.4159.7-82.7-53.5000118.6
336L37.9Very low37.3Very low160 Ų160133.5 Ų133.584%0.83877%0.771SS**  -15491.5120.1-84.9-171000109.5
337S35.3Very low37.3Very low107 Ų107135.2 Ų135.275%0.74877%0.772SS**  trans-70.2117.2150.6-79.90000108.6
338I33.7Very low37.8Very low143 Ų143136.7 Ų136.773%0.73378%0.776SS**  trans-136.699.7155.1-61.8-176.8000109.2
339S35.9Very low37.9Very low104 Ų104138.7 Ų138.773%0.72778%0.78SS**  trans-69.1148.1158.243.50000112
340S35.9Very low38.2Very low105 Ų105137.9 Ų137.973%0.73478%0.78SS**  trans77.6101.9147.1-151.50000118.4
341W33.7Very low38.2Very low253 Ų253137.7 Ų137.796%0.95878%0.779SS**  trans-85.8123.6159.2-71.7-5.3000110.3
342C41Very low38.3Very low105 Ų105134.6 Ų134.671%0.70977%0.77SS**  trans-142.3110.2156.7-83.40000110.4
343H33.8Very low38.4Very low189 Ų189130.7 Ų130.788%0.87576%0.763SS**  trans46.2131.1138.2-6489.6000123.1
344G35.2Very low38.5Very low71 Ų71130.7 Ų130.773%0.73277%0.765SS**  trans101.9132.914900000112.9
345N36.3Very low38.5Very low170 Ų170133.3 Ų133.391%0.90977%0.768SS**  cis-160.1152.83.5-116.63.7000106.6
346A41.9Very low39Very low94 Ų94131.4 Ų131.478%0.77777%0.765SS**  trans-80.8128.617600000111.8
347N33.5Very low39.2Very low145 Ų145130.5 Ų130.578%0.77576%0.756SS**  28.6122.2126.9-132.90.3000119.7
348V47.3Very low39.5Very low134 Ų134133.9 Ų133.981%0.81276%0.758SS**  -166.1113.3128.5-95.90000111
349D39.4Very low40.1Very low130 Ų130131.6 Ų131.670%0.69575%0.754SS**  trans51.4106.2134.4-56-43.7000123.6
350V46.2Very low40.7Very low117 Ų117131.4 Ų131.471%0.70975%0.753SS**  38.5114.6116.5-170.80000119.5
351D40Very low41.2Very low148 Ų148133.5 Ų133.579%0.79176%0.755SS**  -170.9117.2109.1-107-32.8000115
352V44.6Very low41.7Very low122 Ų122126.3 Ų126.374%0.73974%0.743SS**  trans32.8129.9134.9176.40000123.7
353S41Very low41.8Very low99 Ų99127.3 Ų127.369%0.69275%0.748SS**  trans106.297.3138.3-97.40000122.6
354S42.1Very low42.2Very low89 Ų89125.9 Ų125.962%0.62275%0.746SS**  74.6137.1112.8630000123.1
355H41.6Very low42.4Very low184 Ų184127.3 Ų127.385%0.85275%0.745SS**  trans87.5140.5157.5-67.7-25.8000117.9
356S43.6Very low42.5Very low91 Ų91124.7 Ų124.764%0.63674%0.74SS**  cis-178153.7-13.9-164.10000107.3
357Q42.1Very low42.5Very low140 Ų140125 Ų12565%0.65474%0.736SS**  trans81.8113.3155.8-49.7-140.5-000119
358K40.1Very low42.7Very low178 Ų178125.7 Ų125.777%0.77474%0.739SS**  90135.8102.2-83.2-179-175.21570111
359S48Very low42.3Very low95 Ų95125.7 Ų125.766%0.66474%0.744SS**  cis-173.815119.537.50000109.8
360S46.8Very low42.5Very low100 Ų100123.9 Ų123.970%0.69975%0.746SS**  trans66.7133.7138.169.50000117.9
361I47.8Very low42.4Very low150 Ų150124.4 Ų124.477%0.76975%0.752SS**  -165.1127.751.3-74.2174.6000110.2
362S44.1Very low42.7Very low102 Ų102122.2 Ų122.271%0.71376%0.755SS**  trans53.5126.4149.166.10000125.3
363P42.7Very low42.3Very low125 Ų125122.7 Ų122.781%0.81276%0.758SS**  trans-117.2153.3149.637.3-24.5000112.9
364L41.9Very low42.5Very low159 Ų159124 Ų12483%0.83276%0.761SS**  trans-146111.6163.8-85.6152000106.1
365S39.8Very low42.4Very low102 Ų102124.6 Ų124.671%0.71376%0.762SS**  64.5130.984.8-55.20000111.1
366S38.9Very low42.4Very low114 Ų114124.5 Ų124.580%0.79776%0.762SS**  cis173.8172.518.226.20000108.1
367S42Very low42.2Very low101 Ų101124.2 Ų124.271%0.70677%0.765SS**  trans108.191.1158.9-166.80000114.9
368L37.6Very low42.2Very low160 Ų160122.6 Ų122.684%0.83877%0.769SS**  63.2112.879.1-70.9156.8000113.5
369C38.6Very low42.4Very low134 Ų134122.6 Ų122.691%0.90577%0.769SS**  -162.4127116.1-126.60000111.1
370A42.7Very low41.8Very low91 Ų91124.6 Ų124.675%0.75277%0.772SS**  trans-91171.618000000111.5
371P45.2Very low41.8Very low128 Ų128126.1 Ų126.183%0.83178%0.778SS**  trans-99.5165.8-165.937.9-30.6000113.7
372A44.8Very low41.5Very low103 Ų103124.7 Ų124.785%0.85178%0.776SS**  trans-142126.3166.900000112.3
373T37.4Very low41.6Very low132 Ų132125 Ų12581%0.8178%0.776SS**  trans-52.5156.9170.5-530000114.3
374V45.2Very low41.8Very low125 Ų125126.7 Ų126.776%0.75878%0.776SS**  160.9109.4129157.50000112.6
375T39.2Very low41.8Very low103 Ų103123.6 Ų123.663%0.63277%0.768SS**  84.3108.1125.8-55.20000122.5
376Q40.9Very low42.5Very low181 Ų181125 Ų12585%0.84678%0.775SS**  trans72.6137.7130.5-66.917818.900124
377A40.5Very low42.9Very low85 Ų85129.1 Ų129.170%0.70278%0.779SS**  trans98.1107.2135.800000119.8
378S42.2Very low43.1Very low106 Ų106129 Ų12974%0.74178%0.775SS**  76.1121.5127.6-70.70000122
379K43.3Very low43.4Very low178 Ų178128.4 Ų128.477%0.77477%0.771SS**  trans84.3115.5134.9-72.7178.7179.7178.40120.4
380D37Very low43.6Very low138 Ų138128.1 Ų128.174%0.73877%0.768SS**  trans69.4130.1131.2-55.6-28.8000121
381T45.7Very low43.3Very low132 Ų132131.6 Ų131.681%0.8177%0.773SS**  trans122.2109.7143.6-44.70000115.3
382T41.8Very low43.1Very low119 Ų119131.6 Ų131.673%0.7378%0.776SS**  trans-32.8158.3156.349.50000114.3
383P47.2Very low42.6Very low110 Ų110132 Ų13271%0.71477%0.772SS**  -158.7-172.660.432.6-5.2000117.3
384I45.8Very low42.7Very low159 Ų159131.2 Ų131.282%0.81577%0.773SS**  trans125.7115.4142.4-60.7157.8000115.7
385S41.4Very low42.2Very low94 Ų94132.8 Ų132.866%0.65778%0.776SS**  trans-76.7168.7166.4570000113.4
386P56.1Low42Very low133 Ų133135.6 Ų135.686%0.86479%0.786SS**  -142.8160.1119.427.1-6.8000116.7
387F47.5Very low41.6Very low200 Ų200132.2 Ų132.288%0.87778%0.782SS**  trans-96-174.1-174.4-114.5-57000111.8
388P45.5Very low41.5Very low97 Ų97134.2 Ų134.263%0.6379%0.791SS**  trans-124.3175.2-131.243.8-24.7000117.6
389I43.1Very low41Very low148 Ų148136 Ų13676%0.75979%0.793SS**  trans19.1145.5150.9-47.6159.8000121.2
390P43.9Very low40.8Very low128 Ų128133.9 Ų133.983%0.83180%0.795SS**  -136.9152.3128.735.5-20.5000116.2
391L35Very low40.8Very low164 Ų164136.8 Ų136.886%0.85980%0.797SS**  trans-86155.9171.4-84.6145.6000111.7
392S43Very low40.4Very low128 Ų128138.1 Ų138.190%0.89580%0.798SS**  trans-152.1147.3161.3-71.10000111.9
393S32.5Very low39.9Very low111 Ų111136.6 Ų136.678%0.77679%0.792SS**  trans-112.4155.7-159.845.10000114.3
394S39.6Very low39.6Very low117 Ų117137.7 Ų137.782%0.81880%0.797SS**  trans-169.4122.8155.540.50000107.3
395L34.8Very low39Very low158 Ų158133.4 Ų133.483%0.82779%0.792SS**  cis80.6135.844.2-69.5-178.7000116.3
396L36.6Very low38.6Very low161 Ų161135.3 Ų135.384%0.84380%0.8SS**  trans99.3108.3176.1-76.679.8000115.3
397S31.1Very low37.5Very low110 Ų110135.3 Ų135.377%0.76979%0.792SS**  cis84.9118.746.4-64.70000114.5
398S38.4Very low37Very low127 Ų127131.7 Ų131.789%0.88878%0.781SS**  trans175.4131133.3-72.40000113
399D31.6Very low36.5Very low144 Ų144133.8 Ų133.877%0.7779%0.787SS**  trans-87.9163.5-179.2-59.2-60.1000114.1
400T39.5Very low35.9Very low134 Ų134131.1 Ų131.182%0.82278%0.781SS**  trans164.9110.513531.20000111.4
401Y36.5Very low35.3Very low199 Ų199135.9 Ų135.978%0.7878%0.784SS**  83.7128.980.5-88.2-71.5000117.8
402L36.9Very low35.2Very low160 Ų160133 Ų13384%0.83878%0.778SS**  trans82144.1152.1-60.9151000119.1
403S33.2Very low34.4Very low87 Ų87134.6 Ų134.661%0.60878%0.776SS**  cis-176.7166.5-9.6-172.90000109
404T39.1Very low34.3Very low132 Ų132134.4 Ų134.481%0.8177%0.773SS**  trans75.1126.1165.473.30000116.5
405G33.7Very low33.7Very low69 Ų69135.4 Ų135.471%0.71177%0.774SS**  cis88.4128.433.300000109.5
406V34Very low33.6Very low135 Ų135137 Ų13782%0.81878%0.775SS**  cis-177.2142.721.91440000107
407N33.2Very low33.5Very low133 Ų133134.7 Ų134.771%0.71177%0.767SS**  trans73.5150.4147.1-142.816.1000118
408I36.4Very low33.6Very low123 Ų123138.1 Ų138.163%0.63177%0.771SS**  cis-164.1152.923.6-15.9-169.6000109.5
409N33.7Very low33.5Very low141 Ų141136.7 Ų136.775%0.75476%0.761SS**  trans67.2102.2145.7-74.38.4000123.5
410S30.8Very low33.6Very low93 Ų93136.7 Ų136.765%0.6576%0.761SS**  42.1113118.758.80000120
411Y31Very low33.7Very low228 Ų228134.7 Ų134.789%0.89475%0.749SS**  trans-166.2133.9133.9-106.9-79000110
412S34.7Very low33.9Very low102 Ų102131.9 Ų131.971%0.71375%0.747SS**  trans76.2116.3151.4-47.90000120.2
413N24.7Very low34.3Very low163 Ų163130.1 Ų130.187%0.87274%0.738SS**  trans-45.9142.6160.2-79.3-39.6000111.6
414P31Very low34.5Very low107 Ų107134.4 Ų134.470%0.69574%0.741SS**  -147.3148.8100.633.3-15.2000114.8
415T27.4Very low34.5Very low137 Ų137134 Ų13484%0.8473%0.734SS**  trans28.5101140.6-35.10000117
416F32.6Very low35.2Very low193 Ų193133.3 Ų133.385%0.84672%0.718SS**  trans-123.6126.4160.8-149.1-100.9000111.4
417T34.9Very low35.7Very low111 Ų111131.4 Ų131.468%0.68170%0.703SS**  trans-56.7122.6166.946.60000110.9
418E31.8Very low36.3Very low182 Ų182129 Ų12985%0.8569%0.69SS**  trans-103.3114.1164-132.9172.7-16300109.6N420E418-N420 PolarHBondContact O-N 2.94Å
419S37Very low36.9Very low98 Ų98127.2 Ų127.269%0.68568%0.679SS**  trans-27.3121.6156.540.50000112.2
420N33.1Very low38Very low144 Ų144123.9 Ų123.977%0.7766%0.664SS**SBend50.972.762.6-151.316.4000112.5E418E418-N420 PolarHBondContact O-N 2.94Å
421T41.6Very low38.9Very low92 Ų92121.7 Ų121.756%0.56464%0.644SS**SBend175.6-17.3105.640.20000113.3
422D41Very low40Very low140 Ų140115.8 Ų115.875%0.74963%0.628SS**THydrogen-bonded Turntrans-96.7-17.5-162.6-59.1-20.9000114.8R424D422-R424 VanDerWaalsContact C-N 3.33Å; D422-R424 PolarHBondContact O-N 3.16Å
423N46.3Very low40.6Very low122 Ų122114.1 Ų114.165%0.65261%0.607SS**Hα-helixtrans-85.24.7176.6-74.1-26.4000114.7S426 N427N423-S426 PolarHBondContact O-OG 2.99Å; N423-N427 PolarHBondContact O-ND2 3.21Å
424R37.5Very low41.8Very low177 Ų177110 Ų11067%0.66859%0.586SS**Hα-helixtrans-89.7-26-175.7-63.6-156.977.3-178.77.3114.2D422 L428D422-R424 VanDerWaalsContact C-N 3.33Å; D422-R424 PolarHBondContact O-N 3.16Å; R424-L428 WeakPolarHBondContact O-CG 3.46Å; R424-L428 PolarHBondContact O-N 3.14Å
425L37.4Very low42.9Very low125 Ų125109 Ų10965%0.65457%0.571SS**Hα-helixtrans-76.9-45177.6-78.3163.3000111.2N427 L428 E429L425-N427 VanDerWaalsContact C-N 3.28Å; L425-N427 PolarHBondContact O-N 3.39Å; L425-L428 PolarHBondContact O-N 3.36Å; L425-L428 VanDerWaalsContact O-N 3.12Å; L425-E429 PolarHBondContact O-N 3.02Å
426S48.5Very low44.1Very low54 Ų54105 Ų10538%0.37855%0.547SS..Hα-helixtrans-57.6-40.3175.656.50000112.5N423 T430N423-S426 PolarHBondContact O-OG 2.99Å; S426-T430 VanDerWaalsContact O-CB 3.25Å; S426-T430 WeakPolarHBondContact O-CB 3.37Å; S426-T430 PolarHBondContact O-N 3.49Å; S426-T430 PolarHBondContact O-OG1 3.12Å
427N44.6Very low45Very low94 Ų9497.7 Ų97.750%0.50352%0.517SS..Hα-helixtrans-70-38.8177.1-80.1-44.1000112.8N423 L425 I431N423-N427 PolarHBondContact O-ND2 3.21Å; L425-N427 VanDerWaalsContact C-N 3.28Å; L425-N427 PolarHBondContact O-N 3.39Å; N427-I431 VanDerWaalsContact O-CB 3.3Å; N427-I431 WeakPolarHBondContact O-CB 3.35Å; N427-I431 WeakPolarHBondContact O-CD1 3.49Å; N427-I431 WeakPolarHBondContact O-CG1 3.38Å; N427-I431 PolarHBondContact O-N 3Å
428L46.7Very low46Very low83 Ų8398.8 Ų98.844%0.43552%0.518SS..Hα-helixtrans-69.3-36.8177.5-80171000112.5R424 L425 I431 L432R424-L428 WeakPolarHBondContact O-CG 3.46Å; R424-L428 PolarHBondContact O-N 3.14Å; L425-L428 PolarHBondContact O-N 3.36Å; L425-L428 VanDerWaalsContact O-N 3.12Å; L428-I431 PolarHBondContact O-N 3.44Å; L428-L432 PolarHBondContact O-N 2.83Å
429E48.4Very low47Very low85 Ų8596.1 Ų96.140%0.39750%0.504SS..Hα-helixtrans-69.6-41.4175.3-71.7179.2166.900111.5L425 I431 L432 F433L425-E429 PolarHBondContact O-N 3.02Å; E429-I431 VanDerWaalsContact C-N 3.29Å; E429-I431 PolarHBondContact O-N 3.27Å; E429-L432 PolarHBondContact O-N 3.47Å; E429-F433 WeakPolarHBondContact O-CB 3.47Å; E429-F433 PolarHBondContact O-N 3.45Å
430T56.4Low47.5Very low72 Ų7299.1 Ų99.144%0.44251%0.512SS..Hα-helixtrans-62.2-37.1172.6-57.10000111.7S426 F433 N434S426-T430 VanDerWaalsContact O-CB 3.25Å; S426-T430 WeakPolarHBondContact O-CB 3.37Å; S426-T430 PolarHBondContact O-N 3.49Å; S426-T430 PolarHBondContact O-OG1 3.12Å; T430-F433 WeakPolarHBondContact O-CB 3.36Å; T430-F433 PolarHBondContact O-N 2.99Å; T430-N434 PolarHBondContact O-N 3.41Å; T430-N434 PolarHBondContact O-ND2 2.82Å
431I50.6Low48.3Very low47 Ų4798.1 Ų98.124%0.24151%0.506CS..Hα-helixtrans-69-42.3176.7-72.4163000111Y203 N427 L428 E429 F433 N434 Q435Y203-I431 HydrophobicContact CE2-CG2 3.84Å; Y203-I431 WeakPolarHBondContact OH-CG2 3.23Å; N427-I431 VanDerWaalsContact O-CB 3.3Å; N427-I431 WeakPolarHBondContact O-CB 3.35Å; N427-I431 WeakPolarHBondContact O-CD1 3.49Å; N427-I431 WeakPolarHBondContact O-CG1 3.38Å; N427-I431 PolarHBondContact O-N 3Å; L428-I431 PolarHBondContact O-N 3.44Å; E429-I431 VanDerWaalsContact C-N 3.29Å; E429-I431 PolarHBondContact O-N 3.27Å; I431-F433 VanDerWaalsContact C-N 3.33Å; I431-F433 PolarHBondContact O-N 2.93Å; I431-N434 PolarHBondContact O-N 3.47Å; I431-Q435 WeakPolarHBondContact O-CB 3.42Å; I431-Q435 PolarHBondContact O-N 3.35Å
432L53.2Low48.9Very low104 Ų10497.1 Ų97.155%0.54551%0.514SS..Hα-helixtrans-63.1-38.9173.7-104.3140.7000112.2L428 E429 Q435 T436L428-L432 PolarHBondContact O-N 2.83Å; E429-L432 PolarHBondContact O-N 3.47Å; L432-Q435 PolarHBondContact O-N 3.08Å; L432-T436 PolarHBondContact O-N 2.95Å; L432-T436 VanDerWaalsContact O-N 3.09Å; L432-T436 PolarHBondContact O-OG1 2.83Å
433F48.6Very low49.4Very low66 Ų6696 Ų9629%0.28951%0.508SS..Hα-helixtrans-60.7-49.9175-178.5-101.7000111.5E429 T430 I431 Q435 T436 L437 V476E429-F433 WeakPolarHBondContact O-CB 3.47Å; E429-F433 PolarHBondContact O-N 3.45Å; T430-F433 WeakPolarHBondContact O-CB 3.36Å; T430-F433 PolarHBondContact O-N 2.99Å; I431-F433 VanDerWaalsContact C-N 3.33Å; I431-F433 PolarHBondContact O-N 2.93Å; F433-Q435 VanDerWaalsContact C-N 3.34Å; F433-Q435 PolarHBondContact O-N 3.17Å; F433-T436 PolarHBondContact O-N 2.9Å; F433-L437 HydrophobicContact CD1-CD1 4.14Å; F433-L437 HydrophobicContact CE1-CD1 3.59Å; F433-L437 HydrophobicContact CE2-CD1 4.48Å; F433-L437 HydrophobicContact CZ-CD1 3.79Å; F433-L437 PolarHBondContact O-N 3.47Å; F433-V476 HydrophobicContact CE2-CG2 4.14Å; F433-V476 HydrophobicContact CZ-CG2 4.17Å
434N48.5Very low49.9Very low77 Ų7795.4 Ų95.441%0.41250%0.504SS..Hα-helixtrans-66-34.6177.9-75.2-51.6000113T430 I431 T436 L437 N438T430-N434 PolarHBondContact O-N 3.41Å; T430-N434 PolarHBondContact O-ND2 2.82Å; I431-N434 PolarHBondContact O-N 3.47Å; N434-T436 VanDerWaalsContact C-N 3.28Å; N434-T436 PolarHBondContact O-N 3.04Å; N434-L437 PolarHBondContact O-N 3.29Å; N434-N438 WeakPolarHBondContact O-CB 3.26Å; N434-N438 PolarHBondContact O-N 2.99Å; N434-N438 PolarHBondContact O-ND2 3.34Å
435Q55.2Low51.1Low85 Ų8590.9 Ų90.940%0.39749%0.493SS..Hα-helixtrans-71.1-24.5177.7-155.9168.161.700112.7I431 L432 F433I431-Q435 WeakPolarHBondContact O-CB 3.42Å; I431-Q435 PolarHBondContact O-N 3.35Å; L432-Q435 PolarHBondContact O-N 3.08Å; F433-Q435 VanDerWaalsContact C-N 3.34Å; F433-Q435 PolarHBondContact O-N 3.17Å
436T52.8Low52.4Low53 Ų5389.9 Ų89.933%0.32550%0.496SS..Hα-helixtrans-79.5-37.1175.4-52.60000111.1L432 F433 N434 N438L432-T436 PolarHBondContact O-N 2.95Å; L432-T436 VanDerWaalsContact O-N 3.09Å; L432-T436 PolarHBondContact O-OG1 2.83Å; F433-T436 PolarHBondContact O-N 2.9Å; N434-T436 VanDerWaalsContact C-N 3.28Å; N434-T436 PolarHBondContact O-N 3.04Å; T436-N438 VanDerWaalsContact C-N 3.32Å; T436-N438 PolarHBondContact O-N 3.35Å
437L50.3Low53.6Low40 Ų4090.3 Ų90.321%0.20950%0.5CS..Hα-helixtrans-73.6-19177-67.8-179.6000114.5F433 N434F433-L437 HydrophobicContact CD1-CD1 4.14Å; F433-L437 HydrophobicContact CE1-CD1 3.59Å; F433-L437 HydrophobicContact CE2-CD1 4.48Å; F433-L437 HydrophobicContact CZ-CD1 3.79Å; F433-L437 PolarHBondContact O-N 3.47Å; N434-L437 PolarHBondContact O-N 3.29Å
438N55.9Low54.9Low135 Ų13588.2 Ų88.272%0.72249%0.489SS*.THydrogen-bonded Turntrans-96.84.8-178.9-79.4-25.8000114.7N434 T436N434-N438 WeakPolarHBondContact O-CB 3.26Å; N434-N438 PolarHBondContact O-N 2.99Å; N434-N438 PolarHBondContact O-ND2 3.34Å; T436-N438 VanDerWaalsContact C-N 3.32Å; T436-N438 PolarHBondContact O-N 3.35Å
439K54Low56.1Low125 Ų12588.7 Ų88.754%0.54349%0.491SS..SBendtrans-78.7130.8169.1-69.9179.4-175.3175.90109.2L441K439-L441 PolarHBondContact O-N 3.17Å
440N47.9Very low57.3Low161 Ų16187.4 Ų87.486%0.86149%0.492SS*.  trans-38.6124.4-179.1-82.2-50.3000113G442N440-G442 PolarHBondContact O-N 2.91Å
441L50Low58Low124 Ų12488.7 Ų88.765%0.64950%0.495SS*.THydrogen-bonded Turntrans-70.119-161.4-149.271.2000115.6K439K439-L441 PolarHBondContact O-N 3.17Å
442G52.3Low59.1Low71 Ų7189.3 Ų89.373%0.73250%0.499SS*.THydrogen-bonded Turntrans-105.8-12-17100000116.1N440N440-G442 PolarHBondContact O-N 2.91Å
443N51.6Low60.1Low115 Ų11588.3 Ų88.362%0.61549%0.494SS*.  trans-154.855.6-171.5-152.273.3000112.3D445N443-D445 PolarHBondContact ND2-OD1 2.88Å; N443-D445 PolarHBondContact O-N 3.32Å; N443-D445 VanDerWaalsContact O-N 3.1Å
444I58.6Low61.3Low111 Ų11188.3 Ų88.357%0.56950%0.495SS*.  trans-73.898.4167.4-63.3171.4000106.6D448I444-D448 HydrophobicContact CG2-CB 3.91Å
445D62.2Low62.3Low81 Ų8188 Ų8843%0.43350%0.495SS..  trans-67.7155.8176.3-68.2-27.3000110.3N443 S447 D448 L449N443-D445 PolarHBondContact ND2-OD1 2.88Å; N443-D445 PolarHBondContact O-N 3.32Å; N443-D445 VanDerWaalsContact O-N 3.1Å; D445-S447 WeakPolarHBondContact CB-OG 3.44Å; D445-S447 PolarHBondContact O-N 2.97Å; D445-D448 PolarHBondContact O-N 3.36Å; D445-L449 PolarHBondContact O-N 3.22Å
446S63.5Low62.6Low104 Ų10486.6 Ų86.673%0.72749%0.489SS*.Hα-helixtrans-51.7-27.5175.2-179.70000113S450S446-S450 VanDerWaalsContact O-CB 3.32Å; S446-S450 WeakPolarHBondContact O-CB 3.2Å; S446-S450 PolarHBondContact O-N 2.89Å
447S74.7Confident63.2Low64 Ų6490.6 Ų90.645%0.44850%0.498SS..Hα-helixtrans-67.2-39.5173.756.20000113.3D445 S450 N451D445-S447 WeakPolarHBondContact CB-OG 3.44Å; D445-S447 PolarHBondContact O-N 2.97Å; S447-S450 PolarHBondContact O-N 3.46Å; S447-N451 WeakPolarHBondContact O-CB 3.43Å; S447-N451 PolarHBondContact O-N 3.03Å; S447-N451 PolarHBondContact O-ND2 2.98Å; S447-N451 VanDerWaalsContact O-ND2 3.1Å
448D71.3Confident64Low50 Ų5096.2 Ų96.227%0.26752%0.516SS..Hα-helixtrans-70.1-39.2178.4-79.4-23.1000110.9I444 D445 N451 L452I444-D448 HydrophobicContact CG2-CB 3.91Å; D445-D448 PolarHBondContact O-N 3.36Å; D448-N451 PolarHBondContact O-N 2.87Å; D448-L452 WeakPolarHBondContact O-CB 3.46Å; D448-L452 PolarHBondContact O-N 2.7Å
449L72.6Confident64.2Low92 Ų9292.2 Ų92.248%0.48250%0.495SS..Hα-helixtrans-63.7-41.4170.9-174.665.7000111.5D445 L452 L453D445-L449 PolarHBondContact O-N 3.22Å; L449-L452 HydrophobicContact CD1-CD2 4.48Å; L449-L452 WeakPolarHBondContact O-CB 3.31Å; L449-L452 PolarHBondContact O-N 3.34Å; L449-L453 HydrophobicContact CG-CD1 4.27Å; L449-L453 WeakPolarHBondContact O-CB 3.5Å; L449-L453 VanDerWaalsContact O-CG 3.3Å; L449-L453 WeakPolarHBondContact O-CG 3.46Å; L449-L453 PolarHBondContact O-N 3.07Å
450S72.4Confident64.5Low59 Ų5990.2 Ų90.241%0.41349%0.489SS..Hα-helixtrans-64.4-41.5176.6-171.60000112.1S446 S447 L453 E454S446-S450 VanDerWaalsContact O-CB 3.32Å; S446-S450 WeakPolarHBondContact O-CB 3.2Å; S446-S450 PolarHBondContact O-N 2.89Å; S447-S450 PolarHBondContact O-N 3.46Å; S450-L453 PolarHBondContact O-N 3.47Å; S450-E454 WeakPolarHBondContact O-CB 3.34Å; S450-E454 PolarHBondContact O-N 3.37Å
451N72.5Confident65.2Low98 Ų9891 Ų9152%0.52449%0.485SS..Hα-helixtrans-63.7-41.8174.3-72.6-35.8000111.4S447 D448 E454 V455S447-N451 WeakPolarHBondContact O-CB 3.43Å; S447-N451 PolarHBondContact O-N 3.03Å; S447-N451 PolarHBondContact O-ND2 2.98Å; S447-N451 VanDerWaalsContact O-ND2 3.1Å; D448-N451 PolarHBondContact O-N 2.87Å; N451-E454 PolarHBondContact O-N 2.93Å; N451-V455 WeakPolarHBondContact O-CG2 3.21Å; N451-V455 PolarHBondContact O-N 3.17Å
452L74Confident65.7Low61 Ų6191.8 Ų91.832%0.31949%0.49SS..Hα-helixtrans-60.8-45.3175.1-172.771.3000111D448 L449 E454 V455 H456D448-L452 WeakPolarHBondContact O-CB 3.46Å; D448-L452 PolarHBondContact O-N 2.7Å; L449-L452 HydrophobicContact CD1-CD2 4.48Å; L449-L452 WeakPolarHBondContact O-CB 3.31Å; L449-L452 PolarHBondContact O-N 3.34Å; L452-E454 VanDerWaalsContact C-N 3.34Å; L452-E454 PolarHBondContact O-N 3.23Å; L452-V455 PolarHBondContact O-N 3.44Å; L452-H456 VanDerWaalsContact O-CB 3.31Å; L452-H456 WeakPolarHBondContact O-CB 3.39Å; L452-H456 PolarHBondContact O-N 2.89Å
453L72.9Confident66.1Low83 Ų8391 Ų9144%0.43547%0.469SS..Hα-helixtrans-66.5-33176-72.1172.2000112.7L449 S450 H456 R457L449-L453 HydrophobicContact CG-CD1 4.27Å; L449-L453 WeakPolarHBondContact O-CB 3.5Å; L449-L453 VanDerWaalsContact O-CG 3.3Å; L449-L453 WeakPolarHBondContact O-CG 3.46Å; L449-L453 PolarHBondContact O-N 3.07Å; S450-L453 PolarHBondContact O-N 3.47Å; L453-H456 WeakPolarHBondContact O-CB 3.11Å; L453-H456 PolarHBondContact O-N 3.46Å; L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 WeakPolarHBondContact O-CG 3.4Å; L453-R457 PolarHBondContact O-N 3.33Å
454E73.9Confident66.6Low65 Ų6591.2 Ų91.230%0.30448%0.476SS..Hα-helixtrans-73.6-39.9177.1-175.861.3-161.800112.1S450 N451 L452 H456 R457 R458S450-E454 WeakPolarHBondContact O-CB 3.34Å; S450-E454 PolarHBondContact O-N 3.37Å; N451-E454 PolarHBondContact O-N 2.93Å; L452-E454 VanDerWaalsContact C-N 3.34Å; L452-E454 PolarHBondContact O-N 3.23Å; E454-H456 VanDerWaalsContact C-N 3.3Å; E454-R457 PolarHBondContact O-N 3.39Å; E454-R457 IonicContact OE2-CZ 2.6Å; E454-R457 IonicContact OE2-NE 3.53Å; E454-R457 PolarHBondContact OE2-NE 2.81Å; E454-R457 IonicContact OE2-NH2 2.65Å; E454-R457 PolarHBondContact OE2-NH2 3.08Å; E454-R458 WeakPolarHBondContact O-CG 3.44Å; E454-R458 PolarHBondContact O-N 2.72Å; E454-R458 IonicContact OE1-NE 3.4Å; E454-R458 IonicContact OE1-NH2 2.81Å
455V69.3Low67Low70 Ų7090 Ų9042%0.42447%0.471SS..Hα-helixtrans-61.3-43.8170172.30000109.6N451 L452 R457 R458 I459N451-V455 WeakPolarHBondContact O-CG2 3.21Å; N451-V455 PolarHBondContact O-N 3.17Å; L452-V455 PolarHBondContact O-N 3.44Å; V455-R457 PolarHBondContact O-N 3.24Å; V455-R458 PolarHBondContact O-N 2.83Å; V455-R458 VanDerWaalsContact O-N 3.12Å; V455-I459 HydrophobicContact CG1-CD1 3.9Å; V455-I459 WeakPolarHBondContact O-CG1 3.37Å; V455-I459 PolarHBondContact O-N 3.49Å
456H61.3Low67Low57 Ų5793 Ų9326%0.26448%0.483SS..Hα-helixtrans-59.3-42.7174.2-167.6-116.6000112.2L452 L453 E454 R458 I459 L460L452-H456 VanDerWaalsContact O-CB 3.31Å; L452-H456 WeakPolarHBondContact O-CB 3.39Å; L452-H456 PolarHBondContact O-N 2.89Å; L453-H456 WeakPolarHBondContact O-CB 3.11Å; L453-H456 PolarHBondContact O-N 3.46Å; E454-H456 VanDerWaalsContact C-N 3.3Å; H456-R458 VanDerWaalsContact C-N 3.31Å; H456-R458 PolarHBondContact O-N 3.26Å; H456-I459 PolarHBondContact O-N 2.88Å; H456-L460 WeakPolarHBondContact O-CB 3.22Å; H456-L460 WeakPolarHBondContact O-CD1 3.48Å; H456-L460 WeakPolarHBondContact O-CG 3.47Å; H456-L460 PolarHBondContact O-N 3.33Å
457R67Low67.2Low136 Ų13692.6 Ų92.651%0.51348%0.48SS..Hα-helixtrans-62-34173.9-85.6-166.2-71.6-100-1.2113.4L453 E454 V455 K461L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 WeakPolarHBondContact O-CG 3.4Å; L453-R457 PolarHBondContact O-N 3.33Å; E454-R457 PolarHBondContact O-N 3.39Å; E454-R457 IonicContact OE2-CZ 2.6Å; E454-R457 IonicContact OE2-NE 3.53Å; E454-R457 PolarHBondContact OE2-NE 2.81Å; E454-R457 IonicContact OE2-NH2 2.65Å; E454-R457 PolarHBondContact OE2-NH2 3.08Å; V455-R457 PolarHBondContact O-N 3.24Å; R457-K461 PolarHBondContact O-N 3.32Å
458R66.7Low66.7Low158 Ų15894.7 Ų94.760%0.59648%0.481SS*.Hα-helixtrans-74.8-43.1178.7-71.5175-174.3-157.80.8111.8E454 V455 H456 L460 K461 D462E454-R458 WeakPolarHBondContact O-CG 3.44Å; E454-R458 PolarHBondContact O-N 2.72Å; E454-R458 IonicContact OE1-NE 3.4Å; E454-R458 IonicContact OE1-NH2 2.81Å; V455-R458 PolarHBondContact O-N 2.83Å; V455-R458 VanDerWaalsContact O-N 3.12Å; H456-R458 VanDerWaalsContact C-N 3.31Å; H456-R458 PolarHBondContact O-N 3.26Å; R458-L460 PolarHBondContact O-N 2.95Å; R458-K461 PolarHBondContact O-N 3.31Å; R458-D462 PolarHBondContact O-N 3.41Å
459I60.1Low66Low52 Ų5294 Ų9427%0.26748%0.477SS..Hα-helixtrans-58.7-41.7173.6-64.8166000110.1V455 H456 K461V455-I459 HydrophobicContact CG1-CD1 3.9Å; V455-I459 WeakPolarHBondContact O-CG1 3.37Å; V455-I459 PolarHBondContact O-N 3.49Å; H456-I459 PolarHBondContact O-N 2.88Å; I459-K461 PolarHBondContact O-N 2.91Å
460L59.1Low65.8Low82 Ų8294 Ų9443%0.42948%0.476SS..Hα-helixtrans-63.3-18.8175.2-87.3156.2000114.8H456 R458 I469H456-L460 WeakPolarHBondContact O-CB 3.22Å; H456-L460 WeakPolarHBondContact O-CD1 3.48Å; H456-L460 WeakPolarHBondContact O-CG 3.47Å; H456-L460 PolarHBondContact O-N 3.33Å; R458-L460 PolarHBondContact O-N 2.95Å; L460-I469 HydrophobicContact CD2-CD1 4.09Å; L460-I469 HydrophobicContact CD2-CG1 4.37Å; L460-I469 HydrophobicContact CD2-CG2 3.88Å
461K64.5Low65.7Low179 Ų17994 Ų9478%0.77848%0.48SS*.Hα-helixtrans-95.2-22.7-172.5-145.7173.9-177.3-162.50113.8R457 R458 I459R457-K461 PolarHBondContact O-N 3.32Å; R458-K461 PolarHBondContact O-N 3.31Å; I459-K461 PolarHBondContact O-N 2.91Å
462D59.9Low65.4Low139 Ų13991.2 Ų91.274%0.74347%0.47SS*.Hα-helixtrans-115.7-8.2-169-64.9-26.3000114.3R458R458-D462 PolarHBondContact O-N 3.41Å
463D60.4Low65.2Low56 Ų5692.6 Ų92.630%0.29948%0.477SS..  trans-103.6118.4-178.6-106.4-41.5000112.9D465 K468D463-D465 VanDerWaalsContact C-N 3.26Å; D463-D465 PolarHBondContact O-N 2.85Å; D463-K468 IonicContact OD1-NZ 3.78Å; D463-K468 PolarHBondContact OD1-NZ 2.62Å
464P61.3Low65.1Low118 Ų11893.3 Ų93.377%0.76648%0.482SS*.  trans-74.7-9.9175.529.3-33.5000114.1Q466P464-Q466 PolarHBondContact O-N 3.29Å
465D68.4Low65.1Low87 Ų8792.1 Ų92.147%0.46548%0.483SS..  trans-94.297.4-176-74.5-27.5000112.5D463 S467 K468D463-D465 VanDerWaalsContact C-N 3.26Å; D463-D465 PolarHBondContact O-N 2.85Å; D465-S467 PolarHBondContact O-N 3.1Å; D465-K468 HydrophobicContact CB-CD 4.39Å; D465-K468 HydrophobicContact CB-CG 4.34Å; D465-K468 PolarHBondContact O-N 2.65Å; D465-K468 VanDerWaalsContact O-N 3.11Å; D465-K468 IonicContact OD2-NZ 3.86Å
466Q61.7Low65.1Low144 Ų14491.1 Ų91.167%0.67348%0.477SS*.Hα-helixtrans-51.8-28.7174.9-69.1-121.9-21.800114.2P464 K468 I469 I470P464-Q466 PolarHBondContact O-N 3.29Å; Q466-K468 VanDerWaalsContact C-N 3.34Å; Q466-K468 PolarHBondContact O-N 2.79Å; Q466-I469 WeakPolarHBondContact O-CB 3.44Å; Q466-I469 PolarHBondContact O-N 2.99Å; Q466-I470 WeakPolarHBondContact O-CG1 3.23Å; Q466-I470 PolarHBondContact O-N 2.86Å
467S67.1Low65.6Low95 Ų9591 Ų9166%0.66449%0.486SS*.Hα-helixtrans-62.4-37179.4-59.40000113.2D465 A471D465-S467 PolarHBondContact O-N 3.1Å; S467-A471 WeakPolarHBondContact O-CB 3.35Å; S467-A471 PolarHBondContact O-N 2.6Å
468K63.9Low65.8Low108 Ų10888.3 Ų88.347%0.4749%0.485SS..Hα-helixtrans-71-35.6177.6-64.1179.5-167.2162.90111.2D463 D465 Q466 A471 A472D463-K468 IonicContact OD1-NZ 3.78Å; D463-K468 PolarHBondContact OD1-NZ 2.62Å; D465-K468 HydrophobicContact CB-CD 4.39Å; D465-K468 HydrophobicContact CB-CG 4.34Å; D465-K468 PolarHBondContact O-N 2.65Å; D465-K468 VanDerWaalsContact O-N 3.11Å; D465-K468 IonicContact OD2-NZ 3.86Å; Q466-K468 VanDerWaalsContact C-N 3.34Å; Q466-K468 PolarHBondContact O-N 2.79Å; K468-A471 PolarHBondContact O-N 3.06Å; K468-A472 WeakPolarHBondContact O-CB 3.3Å; K468-A472 PolarHBondContact O-N 2.87Å
469I58.3Low65.9Low35 Ų3583.5 Ų83.518%0.17947%0.471CS..Hα-helixtrans-62.8-47.5176.4-62.6170.2000110.3L460 Q466 A472 L473L460-I469 HydrophobicContact CD2-CD1 4.09Å; L460-I469 HydrophobicContact CD2-CG1 4.37Å; L460-I469 HydrophobicContact CD2-CG2 3.88Å; Q466-I469 WeakPolarHBondContact O-CB 3.44Å; Q466-I469 PolarHBondContact O-N 2.99Å; I469-A472 PolarHBondContact O-N 3.43Å; I469-L473 HydrophobicContact CG2-CD1 4.08Å; I469-L473 WeakPolarHBondContact O-CB 3.44Å; I469-L473 PolarHBondContact O-N 3.49Å
470I67.9Low66.5Low92 Ų9285.8 Ų85.847%0.47248%0.483SS..Hα-helixtrans-64-42.5177.3-66.1169.5000110.9Q466 A472 L473 N474Q466-I470 WeakPolarHBondContact O-CG1 3.23Å; Q466-I470 PolarHBondContact O-N 2.86Å; I470-A472 PolarHBondContact O-N 3.29Å; I470-L473 PolarHBondContact O-N 3.49Å; I470-N474 WeakPolarHBondContact O-CB 3.07Å; I470-N474 PolarHBondContact O-N 3.08Å; I470-N474 PolarHBondContact O-ND2 2.89Å
471A70.2Confident67.2Low60 Ų6086.8 Ų86.850%0.49649%0.488SS..Hα-helixtrans-62.8-41.9177.400000112.3S467 K468 N474 A475S467-A471 WeakPolarHBondContact O-CB 3.35Å; S467-A471 PolarHBondContact O-N 2.6Å; K468-A471 PolarHBondContact O-N 3.06Å; A471-N474 PolarHBondContact O-N 3.29Å; A471-A475 WeakPolarHBondContact O-CB 3.27Å; A471-A475 PolarHBondContact O-N 3.5Å
472A65.7Low67.6Low39 Ų3983.1 Ų83.132%0.32248%0.481SS..Hα-helixtrans-66-44.5176.300000112K468 I469 I470 N474 A475 V476K468-A472 WeakPolarHBondContact O-CB 3.3Å; K468-A472 PolarHBondContact O-N 2.87Å; I469-A472 PolarHBondContact O-N 3.43Å; I470-A472 PolarHBondContact O-N 3.29Å; A472-N474 PolarHBondContact O-N 3.46Å; A472-A475 PolarHBondContact O-N 3.28Å; A472-V476 WeakPolarHBondContact O-CB 3.32Å; A472-V476 WeakPolarHBondContact O-CG2 3.11Å; A472-V476 PolarHBondContact O-N 3.32Å
473L70Confident67.5Low89 Ų8982.2 Ų82.247%0.46647%0.467SS..Hα-helixtrans-58.6-46.5174.3-94.2158.2000111.6I469 I470 V476 A477I469-L473 HydrophobicContact CG2-CD1 4.08Å; I469-L473 WeakPolarHBondContact O-CB 3.44Å; I469-L473 PolarHBondContact O-N 3.49Å; I470-L473 PolarHBondContact O-N 3.49Å; L473-V476 PolarHBondContact O-N 3.1Å; L473-A477 VanDerWaalsContact O-CB 3.26Å; L473-A477 WeakPolarHBondContact O-CB 3.3Å; L473-A477 PolarHBondContact O-N 3.07Å
474N71.4Confident68.1Low98 Ų9885.8 Ų85.852%0.52449%0.485SS..Hα-helixtrans-63.2-44.1176.9-75.4-19.6000111.3I470 A471 A472 V476 A477 T478I470-N474 WeakPolarHBondContact O-CB 3.07Å; I470-N474 PolarHBondContact O-N 3.08Å; I470-N474 PolarHBondContact O-ND2 2.89Å; A471-N474 PolarHBondContact O-N 3.29Å; A472-N474 PolarHBondContact O-N 3.46Å; N474-V476 VanDerWaalsContact C-N 3.34Å; N474-V476 PolarHBondContact O-N 3Å; N474-A477 PolarHBondContact O-N 3.42Å; N474-T478 WeakPolarHBondContact O-CB 3.39Å; N474-T478 VanDerWaalsContact O-CG2 3.29Å; N474-T478 WeakPolarHBondContact O-CG2 3.31Å; N474-T478 PolarHBondContact O-N 3.36Å; N474-T478 PolarHBondContact O-OG1 3.5Å
475A73.5Confident67.9Low41 Ų4188.5 Ų88.534%0.33949%0.491SS..Hα-helixtrans-64-36.4178.600000113.2A471 A472 T478 N479A471-A475 WeakPolarHBondContact O-CB 3.27Å; A471-A475 PolarHBondContact O-N 3.5Å; A472-A475 PolarHBondContact O-N 3.28Å; A475-T478 WeakPolarHBondContact CA-OG1 3.34Å; A475-T478 PolarHBondContact O-OG1 3.41Å; A475-N479 WeakPolarHBondContact O-CB 3.36Å; A475-N479 PolarHBondContact O-N 3.21Å; A475-N479 VanDerWaalsContact O-N 3.08Å; A475-N479 PolarHBondContact O-ND2 3.13Å
476V69.3Low67.9Low48 Ų4888.6 Ų88.629%0.29149%0.493SS..Hα-helixtrans-71.8-45.6175.1170.80000110.5F433 A472 L473 N474 T478 N479 L480F433-V476 HydrophobicContact CE2-CG2 4.14Å; F433-V476 HydrophobicContact CZ-CG2 4.17Å; A472-V476 WeakPolarHBondContact O-CB 3.32Å; A472-V476 WeakPolarHBondContact O-CG2 3.11Å; A472-V476 PolarHBondContact O-N 3.32Å; L473-V476 PolarHBondContact O-N 3.1Å; N474-V476 VanDerWaalsContact C-N 3.34Å; N474-V476 PolarHBondContact O-N 3Å; V476-T478 PolarHBondContact O-N 3.35Å; V476-N479 PolarHBondContact O-N 2.98Å; V476-L480 HydrophobicContact CG1-CD1 3.83Å; V476-L480 WeakPolarHBondContact O-CB 3.4Å; V476-L480 PolarHBondContact O-N 2.94Å
477A70.5Confident68.3Low55 Ų5585.6 Ų85.646%0.45548%0.483SS..Hα-helixtrans-61.1-42.8176.800000111.7L473 N474 L480 L481L473-A477 VanDerWaalsContact O-CB 3.26Å; L473-A477 WeakPolarHBondContact O-CB 3.3Å; L473-A477 PolarHBondContact O-N 3.07Å; N474-A477 PolarHBondContact O-N 3.42Å; A477-L480 PolarHBondContact O-N 3.17Å; A477-L481 WeakPolarHBondContact O-CB 3.44Å; A477-L481 PolarHBondContact O-N 3.42Å
478T72Confident68.3Low80 Ų8085.1 Ų85.149%0.49147%0.473SS..Hα-helixtrans-65.6-39.6175.453.60000111.7N474 A475 V476 L481 T482N474-T478 WeakPolarHBondContact O-CB 3.39Å; N474-T478 VanDerWaalsContact O-CG2 3.29Å; N474-T478 WeakPolarHBondContact O-CG2 3.31Å; N474-T478 PolarHBondContact O-N 3.36Å; N474-T478 PolarHBondContact O-OG1 3.5Å; A475-T478 WeakPolarHBondContact CA-OG1 3.34Å; A475-T478 PolarHBondContact O-OG1 3.41Å; V476-T478 PolarHBondContact O-N 3.35Å; T478-L481 PolarHBondContact O-N 3.38Å; T478-T482 VanDerWaalsContact O-CB 3.26Å; T478-T482 WeakPolarHBondContact O-CB 3.45Å; T478-T482 PolarHBondContact O-N 3.45Å; T478-T482 PolarHBondContact O-OG1 3.46Å
479N68.8Low68.6Low57 Ų5783.8 Ų83.831%0.30547%0.473SS..Hα-helixtrans-68.7-38.1176.7-89.7-58.8000112.8A475 V476 R483A475-N479 WeakPolarHBondContact O-CB 3.36Å; A475-N479 PolarHBondContact O-N 3.21Å; A475-N479 VanDerWaalsContact O-N 3.08Å; A475-N479 PolarHBondContact O-ND2 3.13Å; V476-N479 PolarHBondContact O-N 2.98Å; N479-R483 WeakPolarHBondContact O-CB 3.46Å; N479-R483 WeakPolarHBondContact O-CD 3.32Å; N479-R483 WeakPolarHBondContact O-CG 3.37Å; N479-R483 PolarHBondContact O-N 3.1Å
480L73Confident69.2Low100 Ų10086.8 Ų86.852%0.52449%0.492SS..Hα-helixtrans-66.2-45.9172.9-95.1149.5000110.9V476 A477 R483 I484V476-L480 HydrophobicContact CG1-CD1 3.83Å; V476-L480 WeakPolarHBondContact O-CB 3.4Å; V476-L480 PolarHBondContact O-N 2.94Å; A477-L480 PolarHBondContact O-N 3.17Å; L480-R483 PolarHBondContact O-N 3.24Å; L480-I484 HydrophobicContact CD2-CD1 4.18Å; L480-I484 WeakPolarHBondContact O-CB 3.32Å; L480-I484 VanDerWaalsContact O-CG1 3.23Å; L480-I484 WeakPolarHBondContact O-CG1 3.48Å; L480-I484 PolarHBondContact O-N 3.02Å
481L73.3Confident69.3Low102 Ų10286.5 Ų86.553%0.53449%0.493SS..Hα-helixtrans-66.1-41.5-178.9-168.965.5000112.1A477 T478 R483 I484 I485A477-L481 WeakPolarHBondContact O-CB 3.44Å; A477-L481 PolarHBondContact O-N 3.42Å; T478-L481 PolarHBondContact O-N 3.38Å; L481-R483 PolarHBondContact O-N 3.48Å; L481-I484 PolarHBondContact O-N 3.2Å; L481-I485 HydrophobicContact CD1-CD1 4.04Å; L481-I485 HydrophobicContact CD1-CG1 4.36Å; L481-I485 HydrophobicContact CG-CD1 3.86Å; L481-I485 HydrophobicContact CG-CG1 4.49Å; L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 3.44Å
482T73Confident69.2Low103 Ų10388.4 Ų88.463%0.63249%0.493SS*.Hα-helixtrans-68.3-14.1176.5-49.30000112.8T478T478-T482 VanDerWaalsContact O-CB 3.26Å; T478-T482 WeakPolarHBondContact O-CB 3.45Å; T478-T482 PolarHBondContact O-N 3.45Å; T478-T482 PolarHBondContact O-OG1 3.46Å
483R57Low69.5Low119 Ų11992.2 Ų92.245%0.44951%0.506SS..Hα-helixtrans-107-9.7178.4-67.1177.5-175.7-158.7-1.5113.2N479 L480 L481N479-R483 WeakPolarHBondContact O-CB 3.46Å; N479-R483 WeakPolarHBondContact O-CD 3.32Å; N479-R483 WeakPolarHBondContact O-CG 3.37Å; N479-R483 PolarHBondContact O-N 3.1Å; L480-R483 PolarHBondContact O-N 3.24Å; L481-R483 PolarHBondContact O-N 3.48Å
484I73.5Confident69.5Low131 Ų13192.4 Ų92.467%0.67251%0.509SS*.Hα-helixtrans-96.7-31.9174-69.1166.9000111.1L480 L481L480-I484 HydrophobicContact CD2-CD1 4.18Å; L480-I484 WeakPolarHBondContact O-CB 3.32Å; L480-I484 VanDerWaalsContact O-CG1 3.23Å; L480-I484 WeakPolarHBondContact O-CG1 3.48Å; L480-I484 PolarHBondContact O-N 3.02Å; L481-I484 PolarHBondContact O-N 3.2Å
485I58.6Low69.3Low175 Ų17591.9 Ų91.990%0.89751%0.508SS*.  trans-80.30165.5-57.1171.5000108.2L481L481-I485 HydrophobicContact CD1-CD1 4.04Å; L481-I485 HydrophobicContact CD1-CG1 4.36Å; L481-I485 HydrophobicContact CG-CD1 3.86Å; L481-I485 HydrophobicContact CG-CG1 4.49Å; L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 3.44Å

Retrieved 485 of 485 residues in 351.2 ms (Link to these results)