A0A087XQ10_POEFO Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A087XQ10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34Very low38Very low224 Ų224139.8 Ų139.8100%1.10375%0.751SS**  0122.40-174.1-172.5-63.900106.6
2L36.3Very low37.5Very low148 Ų148143.5 Ų143.578%0.77576%0.756SS**  trans36.8135.4152.9-56175.7000120.7
3Q38.4Very low36.9Very low147 Ų147141.8 Ų141.869%0.68776%0.762SS**  cis-175.2141.1-11-154-176.6-24.800110.8
4T45.3Very low36.6Very low105 Ų105137.9 Ų137.964%0.64475%0.747SS**  trans55.3173.5152.844.60000118.6
5I43.7Very low36.5Very low156 Ų156137.2 Ų137.280%0.875%0.749SS**  cis-129.9132.46.2-52.8165.3000105.9
6Y41.9Very low36.2Very low178 Ų178140.3 Ų140.370%0.69876%0.756SS**  cis100.5137.627.8-154.2-114.5000113.7
7E39.6Very low35.7Very low136 Ų136136.1 Ų136.164%0.63675%0.754SS**  trans64.1148.2179.6-46.6-49.25200124.1
8G37.6Very low35.4Very low69 Ų69141.7 Ų141.771%0.71176%0.761SS**  trans178.7-23.9174.300000117.7
9E35.2Very low35.2Very low180 Ų180141.2 Ų141.284%0.84176%0.763SS**  trans64.2140.2177.1-55.2-178.3-173.500115.2
10S32.8Very low34.9Very low92 Ų92137.3 Ų137.364%0.64376%0.758SS**  cis73.1140.142.1-146.10000112.8
11S33.3Very low34.7Very low103 Ų103139.6 Ų139.672%0.7276%0.763SS**  cis-138.9144.315-65.40000110.2
12F32.3Very low34.5Very low184 Ų184137.3 Ų137.381%0.80775%0.75SS**  67.4111.665-88.5-70.2000116.7T14F12-T14 WeakPolarHBondContact CD1-OG1 3.49Å
13S29.2Very low34.3Very low121 Ų121138.4 Ų138.485%0.84675%0.751SS**  trans-166.4107.7143.6-161.20000107.4
14T32.3Very low34Very low88 Ų88138.3 Ų138.354%0.5475%0.754SS.*  cis101.5107.822.4-53.70000113.5F12F12-T14 WeakPolarHBondContact CD1-OG1 3.49Å
15T36.3Very low33.2Very low127 Ų127141.6 Ų141.678%0.77977%0.767SS**  trans159.5118.8144.3330000106.9
16E31.3Very low32.5Very low186 Ų186140.7 Ų140.787%0.86976%0.764SS**  59.5126.764.1-67.8-149.8100.800114.4
17G28.1Very low32.1Very low69 Ų69141 Ų14171%0.71177%0.772SS**  cis170.2-178.2-5.800000115
18R30.1Very low31.7Very low237 Ų237140.8 Ų140.889%0.89479%0.785SS**  trans67.8124168-77.4-167.9166.6-153.3-3121.4
19V30.7Very low31.7Very low132 Ų132147 Ų14780%0.879%0.793SS**  60.1116129.7-176.30000119.1
20G29.2Very low31.5Very low64 Ų64146 Ų14666%0.6679%0.79SS**  trans-178.388.116400000115.2
21H31.3Very low31.6Very low186 Ų186149 Ų14986%0.86179%0.794SS**  trans48.7146.5150.4-60.8-86.5000122.8
22Q30.6Very low31.5Very low175 Ų175150.6 Ų150.682%0.81879%0.794SS**  trans-61156.6150.6-56-179.440.400108.7
23Q30.4Very low31.7Very low172 Ų172149.1 Ų149.180%0.80479%0.791SS**  -180173.477.2-165.3159.218.600110.1
24L33.3Very low32Very low144 Ų144149.9 Ų149.975%0.75479%0.786SS**  trans-58.9153.1175.5-56.7101.5000112.8
25L28.7Very low32Very low174 Ų174152.3 Ų152.391%0.91180%0.796SS**  trans-133.8139.7140.4-159.666.7000110.7
26N28.6Very low32.2Very low137 Ų137151.4 Ų151.473%0.73380%0.795SS**  trans-82.5164.5-177.7-100.9-63.1000112.5
27Q32.5Very low32.3Very low185 Ų185149.6 Ų149.686%0.86480%0.796SS**  trans-62.2137.8161.7-65174.473.700110.4
28S32.1Very low32.9Very low132 Ų132152.6 Ų152.692%0.92380%0.796SS**  trans-154.2151142.6-86.20000110.1
29K38.4Very low33.1Very low200 Ų200148.8 Ų148.887%0.8779%0.791SS**  trans-124134.9-162.8174.9-174.8178.3-176.30108.9
30M31.2Very low33.2Very low158 Ų158151.6 Ų151.678%0.77879%0.793SS**  trans-123.1147.1171.7-90.1-61.8-134.100112.6
31H32.9Very low34.2Very low156 Ų156154.1 Ų154.172%0.72280%0.797SS**  trans-27.4146.5-177.749.4-96.1000120.1
32N31.4Very low34Very low136 Ų136153 Ų15373%0.72780%0.798SS**  trans-150.4121.9144.2175.33.4000106.7
33M38.2Very low34.5Very low152 Ų152150.5 Ų150.575%0.74979%0.794SS**  trans-174.3119.4157.1-91-46.394.400110.2
34N34.4Very low35.4Very low137 Ų137147.3 Ų147.373%0.73379%0.788SS**  trans-174.6107.8145.9-99.2-20000105.5
35N32.8Very low35.6Very low140 Ų140148.4 Ų148.475%0.74979%0.794SS**  67.6130.287.3-66.5-20.9000112.8
36S39.7Very low36.3Very low108 Ų108144.2 Ų144.276%0.75579%0.785SS**  cis158.6108.3-18159.40000105.8
37V33.5Very low37.1Very low147 Ų147144.5 Ų144.589%0.89179%0.791SS**  trans-140.9131.8162.3-177.20000108.2
38D40.8Very low37.1Very low133 Ų133142.9 Ų142.971%0.71178%0.784SS**  trans-106.7143.6167.3169.234.5000108.6K40D38-K40 PolarHBondContact OD1-N 2.89Å
39I34.6Very low37.7Very low156 Ų156141.6 Ų141.680%0.877%0.772SS**  trans-172100.6141.9-94.2148.4000109
40K33.4Very low37.9Very low191 Ų191140.2 Ų140.283%0.8377%0.773SS**  trans62.5156.1151.3-80.9-174.6173.6-179.20121.3D38D38-K40 PolarHBondContact OD1-N 2.89Å
41P48.4Very low38.7Very low117 Ų117137.1 Ų137.176%0.7677%0.767SS**  trans-98.7158.3-170.638.9-35.3000114.2
42D28.7Very low39.3Very low164 Ų164135.4 Ų135.488%0.87777%0.77SS**  trans-143.5151.7154.1-155.50.6000110.6
43V40.8Very low40.3Very low122 Ų122136 Ų13674%0.73977%0.772SS**  trans-155.3139.4-165.9161.70000107.3
44P48.6Very low40.5Very low104 Ų104134 Ų13468%0.67576%0.764SS**  cis-137.1174.725.237.7-19.2000116.7
45L37.2Very low41.4Very low167 Ų167134.3 Ų134.387%0.87477%0.765SS**  -158123.7116.7-137.769.4000114.9
46A44.8Very low42.2Very low87 Ų87137.6 Ų137.672%0.71977%0.767SS**  trans9.1105.4158.600000121
47V45.2Very low42.7Very low143 Ų143136.8 Ų136.887%0.86776%0.758SS**  -135109.9112.6-178.40000107.8
48E32.9Very low43.4Very low151 Ų151135.2 Ų135.271%0.70675%0.745SS**  trans-75.8129.1178.7-105.3-86.6111.400111.2L50E48-L50 PolarHBondContact O-N 3.19Å
49P42.7Very low43.8Very low105 Ų105136.1 Ų136.168%0.68275%0.749SS**  trans-75.9108.2167.330.9-30.4000109S51P49-S51 PolarHBondContact O-N 3.39Å
50L42.8Very low44.5Very low171 Ų171138.7 Ų138.790%0.89575%0.748SS**  trans-55.6105.9-174.2-67.5175.7000112.6E48E48-L50 PolarHBondContact O-N 3.19Å
51S48.5Very low45.4Very low92 Ų92136 Ų13664%0.64374%0.74SS**  trans-60.1160.9171.6-154.70000111.1P49P49-S51 PolarHBondContact O-N 3.39Å
52P46.8Very low45.6Very low120 Ų120138.2 Ų138.278%0.77975%0.745SS**  trans-55.2141.9-178.4-25.835.8000112.8D54P52-D54 PolarHBondContact O-N 2.99Å
53L52Low46.6Very low150 Ų150132.2 Ų132.279%0.78572%0.722SS**  trans-54.9112.5178.7-89.162.2000110.8L55L53-L55 PolarHBondContact O-N 2.82Å
54D41.6Very low47Very low109 Ų109133.5 Ų133.558%0.58373%0.732SS**  trans-73.795.2169.4-174.87.1000109.5P52 R56 T57P52-D54 PolarHBondContact O-N 2.99Å; D54-R56 PolarHBondContact O-N 3.08Å; D54-R56 VanDerWaalsContact OD1-CB 3.31Å; D54-R56 WeakPolarHBondContact OD1-CB 3.24Å; D54-R56 VanDerWaalsContact OD1-CG 3.25Å; D54-R56 WeakPolarHBondContact OD1-CG 3.18Å; D54-R56 PolarHBondContact OD1-N 3.02Å; D54-T57 PolarHBondContact O-N 3.48Å
55L54.7Low47.5Very low144 Ų144132.2 Ų132.275%0.75474%0.738SS**THydrogen-bonded Turntrans-57.70.2179.4-70.7167.9000114.4L53 T57L53-L55 PolarHBondContact O-N 2.82Å; L55-T57 VanDerWaalsContact C-N 3.34Å
56R49Very low48.8Very low209 Ų209128 Ų12879%0.78972%0.723SS**THydrogen-bonded Turntrans-76.6-13.6175.6-68.7-178.3157.7-172.3-6.1114.8D54D54-R56 PolarHBondContact O-N 3.08Å; D54-R56 VanDerWaalsContact OD1-CB 3.31Å; D54-R56 WeakPolarHBondContact OD1-CB 3.24Å; D54-R56 VanDerWaalsContact OD1-CG 3.25Å; D54-R56 WeakPolarHBondContact OD1-CG 3.18Å; D54-R56 PolarHBondContact OD1-N 3.02Å
57T49.3Very low50.2Low90 Ų90127.8 Ų127.855%0.55271%0.709SS**SBendtrans-86-45.8-177.1-54.50000113.2D54 L55 L59 R60D54-T57 PolarHBondContact O-N 3.48Å; L55-T57 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.47Å; T57-R60 PolarHBondContact O-N 2.96Å
58D48.3Very low51.9Low115 Ų115125.7 Ų125.762%0.61570%0.699SS**G310 helixtrans-72.9-18.8-168.2-82.8-55.2000115.9R60 M61D58-R60 PolarHBondContact O-N 2.76Å; D58-M61 PolarHBondContact O-N 2.84Å; D58-M61 VanDerWaalsContact O-N 3.08Å
59L50Low54.5Low152 Ų152119.5 Ų119.580%0.79668%0.675SS**G310 helixtrans-63.6-8175.3-164.959.6000112.9T57T57-L59 PolarHBondContact O-N 3.47Å
60R48.8Very low56.8Low210 Ų210119.7 Ų119.779%0.79267%0.67SS**G310 helixtrans-92.83.7176.2-56.5-155.6-69.2-171.4-1.6114.8T57 D58T57-R60 PolarHBondContact O-N 2.96Å; D58-R60 PolarHBondContact O-N 2.76Å
61M51.4Low59Low133 Ų133120 Ų12066%0.65566%0.659SS**  trans-91.912.2177.3-73.1-87.765.500115.3D58 G63D58-M61 PolarHBondContact O-N 2.84Å; D58-M61 VanDerWaalsContact O-N 3.08Å; M61-G63 PolarHBondContact O-N 3.12Å
62L54.1Low61.1Low164 Ų164120.7 Ų120.786%0.85965%0.653SS**  trans-79.156.7170.4-119.471.3000112.6
63G48.9Very low63.3Low38 Ų38121.6 Ų121.639%0.39264%0.64SS.*  trans-77.1141.3166.800000111.1M61 G65M61-G63 PolarHBondContact O-N 3.12Å; G63-G65 PolarHBondContact O-N 2.98Å
64P50.4Low65.3Low149 Ų149119.4 Ų119.497%0.96863%0.626SS**THydrogen-bonded Turntrans-77.754.1-177.333.9-37.4000112.7
65G57.2Low67.9Low77 Ų77118.3 Ų118.379%0.79462%0.62SS**THydrogen-bonded Turntrans-164.40.2-178.700000115.1G63G63-G65 PolarHBondContact O-N 2.98Å
66S65.4Low69.9Low79 Ų79116.5 Ų116.555%0.55261%0.608SS**  trans-69.3126.6174.6-53.80000110.9P68S66-P68 VanDerWaalsContact O-CD 3.29Å; S66-P68 WeakPolarHBondContact O-CD 3.48Å
67D74.4Confident72.2Confident82 Ų82112.9 Ų112.944%0.43960%0.599SS.*  trans-58.7117.5174.8168.726.1000110.6G69 L70 R73D67-G69 PolarHBondContact O-N 2.86Å; D67-G69 VanDerWaalsContact O-N 3.15Å; D67-G69 PolarHBondContact OD1-N 3.03Å; D67-L70 HydrophobicContact CB-CD1 4.16Å; D67-L70 HydrophobicContact CB-CG 4.32Å; D67-L70 PolarHBondContact O-N 2.87Å; D67-L70 PolarHBondContact OD2-N 3.18Å; D67-R73 IonicContact OD2-NH2 3.7Å
68P79.8Confident74.4Confident100 Ų100113.2 Ų113.265%0.64960%0.595SS**Hα-helixtrans-55.8-31.6177.2-25.835.7000113.1S66 L70 W71 E72S66-P68 VanDerWaalsContact O-CD 3.29Å; S66-P68 WeakPolarHBondContact O-CD 3.48Å; P68-L70 VanDerWaalsContact C-N 3.29Å; P68-L70 PolarHBondContact O-N 3.24Å; P68-W71 PolarHBondContact O-N 3.46Å; P68-E72 WeakPolarHBondContact O-CB 3.3Å; P68-E72 PolarHBondContact O-N 2.84Å
69G89.6Confident76.8Confident20 Ų20111.9 Ų111.921%0.20659%0.587CS.*Hα-helixtrans-69.2-2117900000114.3D67 R73D67-G69 PolarHBondContact O-N 2.86Å; D67-G69 VanDerWaalsContact O-N 3.15Å; D67-G69 PolarHBondContact OD1-N 3.03Å; G69-R73 WeakPolarHBondContact O-CG 3.39Å; G69-R73 PolarHBondContact O-N 2.85Å; G69-R73 PolarHBondContact O-NE 2.7Å; G69-R73 VanDerWaalsContact O-NE 3.13Å; G69-R73 PolarHBondContact O-NH2 3.05Å
70L89.7Confident79.1Confident110 Ų110110.2 Ų110.258%0.57658%0.578SS**Hα-helixtrans-76.9-44.8170.3-76.8170.1000111.4D67 P68 R73 Q74D67-L70 HydrophobicContact CB-CD1 4.16Å; D67-L70 HydrophobicContact CB-CG 4.32Å; D67-L70 PolarHBondContact O-N 2.87Å; D67-L70 PolarHBondContact OD2-N 3.18Å; P68-L70 VanDerWaalsContact C-N 3.29Å; P68-L70 PolarHBondContact O-N 3.24Å; L70-R73 VanDerWaalsContact CD2-NH2 3.33Å; L70-R73 PolarHBondContact O-N 2.67Å; L70-Q74 PolarHBondContact O-N 3.42Å
71W89.2Confident81.5Confident176 Ų176105.5 Ų105.567%0.66757%0.569SS**Hα-helixtrans-64.8-40.5177.6-178.783.5000112P68 R73 Q74 L75P68-W71 PolarHBondContact O-N 3.46Å; W71-R73 PolarHBondContact O-N 3.39Å; W71-Q74 WeakPolarHBondContact O-CB 3.25Å; W71-Q74 PolarHBondContact O-N 2.68Å; W71-L75 HydrophobicContact CH2-CD2 3.79Å; W71-L75 HydrophobicContact CZ2-CD2 4.35Å; W71-L75 HydrophobicContact CZ3-CD2 4.07Å; W71-L75 PolarHBondContact O-N 2.82Å
72E91.8Very high83.7Confident108 Ų108102.6 Ų102.651%0.50556%0.555SS.*Hα-helixtrans-61.8-43.8176-163.9-169.6168.800111.8P68 Q74 L75 Q76P68-E72 WeakPolarHBondContact O-CB 3.3Å; P68-E72 PolarHBondContact O-N 2.84Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 3.17Å; E72-L75 PolarHBondContact O-N 3.47Å; E72-Q76 VanDerWaalsContact O-CG 3.24Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3.27Å; E72-Q76 PolarHBondContact OE1-NE2 3.37Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å
73R93.7Very high85.8Confident138 Ų13899.3 Ų99.352%0.52154%0.535SS..Hα-helixtrans-62.1-37.2174.6-78.1-175.3-67.7-106.6-3.3112.5D67 G69 L70 W71 Q76 Q77D67-R73 IonicContact OD2-NH2 3.7Å; G69-R73 WeakPolarHBondContact O-CG 3.39Å; G69-R73 PolarHBondContact O-N 2.85Å; G69-R73 PolarHBondContact O-NE 2.7Å; G69-R73 VanDerWaalsContact O-NE 3.13Å; G69-R73 PolarHBondContact O-NH2 3.05Å; L70-R73 VanDerWaalsContact CD2-NH2 3.33Å; L70-R73 PolarHBondContact O-N 2.67Å; W71-R73 PolarHBondContact O-N 3.39Å; R73-Q76 PolarHBondContact O-N 3.16Å; R73-Q77 PolarHBondContact O-N 3.09Å; R73-Q77 VanDerWaalsContact O-N 3.07Å
74Q94.9Very high88.2Confident105 Ų105103.9 Ų103.949%0.49154%0.544SS..Hα-helixtrans-64.2-47.7175.5-176.560.225.100111.2L70 W71 E72 Q76 Q77 E78L70-Q74 PolarHBondContact O-N 3.42Å; W71-Q74 WeakPolarHBondContact O-CB 3.25Å; W71-Q74 PolarHBondContact O-N 2.68Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 3.17Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-Q76 PolarHBondContact O-N 2.91Å; Q74-Q77 PolarHBondContact O-N 2.68Å; Q74-Q77 VanDerWaalsContact O-N 3.14Å; Q74-E78 PolarHBondContact O-N 2.93Å
75L95.6Very high90.5Very high85 Ų85102.4 Ų102.445%0.44553%0.525SS..Hα-helixtrans-61.8-38.5177.8-176.165.6000112.3W71 E72 E78 L79W71-L75 HydrophobicContact CH2-CD2 3.79Å; W71-L75 HydrophobicContact CZ2-CD2 4.35Å; W71-L75 HydrophobicContact CZ3-CD2 4.07Å; W71-L75 PolarHBondContact O-N 2.82Å; E72-L75 PolarHBondContact O-N 3.47Å; L75-E78 PolarHBondContact O-N 2.75Å; L75-L79 WeakPolarHBondContact O-CB 3.22Å; L75-L79 PolarHBondContact O-N 2.82Å
76Q96.4Very high92.4Very high107 Ų107102.2 Ų102.250%0.550%0.503SS..Hα-helixtrans-63.5-39.4174.3-70.9168.99.300112.1E72 R73 Q74 L80E72-Q76 VanDerWaalsContact O-CG 3.24Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3.27Å; E72-Q76 PolarHBondContact OE1-NE2 3.37Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å; R73-Q76 PolarHBondContact O-N 3.16Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-Q76 PolarHBondContact O-N 2.91Å; Q76-L80 PolarHBondContact O-N 2.87Å
77Q96.5Very high94Very high132 Ų132105.2 Ų105.262%0.61751%0.508SS*.Hα-helixtrans-69.6-41.6175.5-175.3176.2107.500112.1R73 Q74 L80 L81R73-Q77 PolarHBondContact O-N 3.09Å; R73-Q77 VanDerWaalsContact O-N 3.07Å; Q74-Q77 PolarHBondContact O-N 2.68Å; Q74-Q77 VanDerWaalsContact O-N 3.14Å; Q77-L80 WeakPolarHBondContact O-CB 3.48Å; Q77-L80 PolarHBondContact O-N 2.89Å; Q77-L81 PolarHBondContact O-N 3.43Å
78E96.7Very high95.2Very high97 Ų97105.4 Ų105.445%0.45351%0.508SS..Hα-helixtrans-64-43.7178.1-169.8-179.7165.600111.5Q74 L75 L80 L81 I82Q74-E78 PolarHBondContact O-N 2.93Å; L75-E78 PolarHBondContact O-N 2.75Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 3.17Å; E78-L81 WeakPolarHBondContact O-CB 3.18Å; E78-L81 PolarHBondContact O-N 3.37Å; E78-L81 VanDerWaalsContact O-N 3.08Å; E78-I82 HydrophobicContact CG-CD1 3.99Å; E78-I82 HydrophobicContact CG-CG1 4.49Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.49Å
79L98.3Very high96.1Very high88 Ų88106.1 Ų106.146%0.46150%0.503SS..Hα-helixtrans-57.3-41.6174.9179.861.6000112L75 I82 Q83L75-L79 WeakPolarHBondContact O-CB 3.22Å; L75-L79 PolarHBondContact O-N 2.82Å; L79-I82 PolarHBondContact O-N 2.98Å; L79-Q83 WeakPolarHBondContact O-CB 3.28Å; L79-Q83 PolarHBondContact O-N 3.47Å
80L98.4Very high96.5Very high116 Ų116111.9 Ų111.961%0.60752%0.522SS*.Hα-helixtrans-65.1-39.6175.9-174.170.5000111.9Q76 Q77 E78 Q83 K84Q76-L80 PolarHBondContact O-N 2.87Å; Q77-L80 WeakPolarHBondContact O-CB 3.48Å; Q77-L80 PolarHBondContact O-N 2.89Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 3.17Å; L80-Q83 PolarHBondContact O-N 2.9Å; L80-K84 WeakPolarHBondContact O-CB 3.18Å; L80-K84 PolarHBondContact O-N 2.89Å
81L98.4Very high96.9Very high112 Ų112112.4 Ų112.459%0.58652%0.522SS*.Hα-helixtrans-66.8-43.9176.9-17661.6000111.5Q77 E78 K84 Q85Q77-L81 PolarHBondContact O-N 3.43Å; E78-L81 WeakPolarHBondContact O-CB 3.18Å; E78-L81 PolarHBondContact O-N 3.37Å; E78-L81 VanDerWaalsContact O-N 3.08Å; L81-K84 PolarHBondContact O-N 2.82Å; L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.11Å
82I98.6Very high97.4Very high72 Ų72109.3 Ų109.337%0.36952%0.518SS..Hα-helixtrans-60.8-46.6174.4-68.7168.2000110.2E78 L79 K84 Q85 Q86E78-I82 HydrophobicContact CG-CD1 3.99Å; E78-I82 HydrophobicContact CG-CG1 4.49Å; E78-I82 WeakPolarHBondContact O-CG1 3.31Å; E78-I82 PolarHBondContact O-N 3.49Å; L79-I82 PolarHBondContact O-N 2.98Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.02Å; I82-Q85 PolarHBondContact O-N 2.81Å; I82-Q85 VanDerWaalsContact O-N 3.16Å; I82-Q86 HydrophobicContact CG2-CG 4.39Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.44Å
83Q98.4Very high97.7Very high94 Ų94110.4 Ų110.444%0.43953%0.526SS..Hα-helixtrans-59.1-44.5177-174.7-175.8-11.700111.7L79 L80 Q85 Q86 Q87L79-Q83 WeakPolarHBondContact O-CB 3.28Å; L79-Q83 PolarHBondContact O-N 3.47Å; L80-Q83 PolarHBondContact O-N 2.9Å; Q83-Q85 VanDerWaalsContact C-N 3.35Å; Q83-Q85 PolarHBondContact O-N 3.1Å; Q83-Q86 PolarHBondContact O-N 3.21Å; Q83-Q87 PolarHBondContact O-N 3.29Å
84K98.4Very high98Very high134 Ų134107 Ų10758%0.58352%0.518SS*.Hα-helixtrans-61.6-41.5175.2-177.7-178.8177.3-176.10111.6L80 L81 I82 Q87 I88L80-K84 WeakPolarHBondContact O-CB 3.18Å; L80-K84 PolarHBondContact O-N 2.89Å; L81-K84 PolarHBondContact O-N 2.82Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.02Å; K84-Q87 PolarHBondContact O-N 3.25Å; K84-I88 HydrophobicContact CG-CD1 4.15Å; K84-I88 WeakPolarHBondContact O-CG1 3.44Å; K84-I88 PolarHBondContact O-N 3.5Å
85Q98.6Very high98.1Very high119 Ų119104.7 Ų104.756%0.55651%0.514SS*.Hα-helixtrans-69.1-42.2178.6-173.715764.500112.4L81 I82 Q83 Q87 I88 Q89L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.11Å; I82-Q85 PolarHBondContact O-N 2.81Å; I82-Q85 VanDerWaalsContact O-N 3.16Å; Q83-Q85 VanDerWaalsContact C-N 3.35Å; Q83-Q85 PolarHBondContact O-N 3.1Å; Q85-Q87 VanDerWaalsContact C-N 3.3Å; Q85-Q87 PolarHBondContact O-N 3.46Å; Q85-I88 PolarHBondContact O-N 3.04Å; Q85-Q89 HydrophobicContact CG-CG 4.42Å; Q85-Q89 WeakPolarHBondContact O-CB 3.27Å; Q85-Q89 WeakPolarHBondContact O-CG 3.49Å; Q85-Q89 PolarHBondContact O-N 3.19Å
86Q98.6Very high98.3Very high73 Ų73104.6 Ų104.634%0.34151%0.511SS..Hα-helixtrans-58.3-41.4172.3-71.8-173.911.900111.6I82 Q83 Q89 K90 S340I82-Q86 HydrophobicContact CG2-CG 4.39Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.44Å; Q83-Q86 PolarHBondContact O-N 3.21Å; Q86-Q89 PolarHBondContact O-N 3Å; Q86-K90 WeakPolarHBondContact O-CB 3.34Å; Q86-K90 PolarHBondContact O-N 3.37Å; Q86-S340 PolarHBondContact NE2-O 2.86Å
87Q98.5Very high98.4Very high141 Ų141106.3 Ų106.366%0.65952%0.517SS*.Hα-helixtrans-62-43.5175.9179.1174.5-26.600112.1Q83 K84 Q85 K90 Q91Q83-Q87 PolarHBondContact O-N 3.29Å; K84-Q87 PolarHBondContact O-N 3.25Å; Q85-Q87 VanDerWaalsContact C-N 3.3Å; Q85-Q87 PolarHBondContact O-N 3.46Å; Q87-K90 PolarHBondContact O-N 3.42Å; Q87-Q91 WeakPolarHBondContact O-CB 3.3Å; Q87-Q91 PolarHBondContact O-N 3.06Å
88I98.6Very high98.5Very high86 Ų86105.5 Ų105.544%0.44151%0.513SS..Hα-helixtrans-66.4-46.1177.2-67.8165.3000110.9K84 Q85 K90 Q91 L92K84-I88 HydrophobicContact CG-CD1 4.15Å; K84-I88 WeakPolarHBondContact O-CG1 3.44Å; K84-I88 PolarHBondContact O-N 3.5Å; Q85-I88 PolarHBondContact O-N 3.04Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 3.27Å; I88-Q91 PolarHBondContact O-N 3.46Å; I88-Q91 VanDerWaalsContact O-N 3.11Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.4Å; I88-L92 WeakPolarHBondContact O-CG 3.39Å; I88-L92 PolarHBondContact O-N 3.41Å
89Q98.7Very high98.6Very high116 Ų116106.4 Ų106.454%0.54252%0.515SS..Hα-helixtrans-57.9-43.8176.3-73.7174.9-5.900111.8Q85 Q86 Q91 L92 L93Q85-Q89 HydrophobicContact CG-CG 4.42Å; Q85-Q89 WeakPolarHBondContact O-CB 3.27Å; Q85-Q89 WeakPolarHBondContact O-CG 3.49Å; Q85-Q89 PolarHBondContact O-N 3.19Å; Q86-Q89 PolarHBondContact O-N 3Å; Q89-Q91 PolarHBondContact O-N 3.15Å; Q89-L92 PolarHBondContact O-N 3.02Å; Q89-L93 WeakPolarHBondContact O-CB 3.46Å; Q89-L93 PolarHBondContact O-N 2.78Å
90K98.6Very high98.6Very high141 Ų141106.7 Ų106.761%0.61352%0.515SS*.Hα-helixtrans-61.1-42.7174.2-178.3-179.5176.8-176.40112Q86 Q87 I88 L93 I94Q86-K90 WeakPolarHBondContact O-CB 3.34Å; Q86-K90 PolarHBondContact O-N 3.37Å; Q87-K90 PolarHBondContact O-N 3.42Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 3.27Å; K90-L93 PolarHBondContact O-N 2.89Å; K90-I94 HydrophobicContact CG-CD1 3.91Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.26Å; K90-I94 PolarHBondContact O-N 2.77Å
91Q98.6Very high98.6Very high120 Ų120106.4 Ų106.456%0.56151%0.51SS*.Hα-helixtrans-66.4-38.8179.2-175.357.380.500112.3Q87 I88 Q89 S95Q87-Q91 WeakPolarHBondContact O-CB 3.3Å; Q87-Q91 PolarHBondContact O-N 3.06Å; I88-Q91 PolarHBondContact O-N 3.46Å; I88-Q91 VanDerWaalsContact O-N 3.11Å; Q89-Q91 PolarHBondContact O-N 3.15Å; Q91-S95 VanDerWaalsContact O-CB 3.31Å; Q91-S95 WeakPolarHBondContact O-CB 3.46Å; Q91-S95 PolarHBondContact O-N 3Å
92L98.8Very high98.6Very high111 Ų111105.7 Ų105.758%0.58150%0.503SS*.Hα-helixtrans-65.4-45.6174.3-70.3170.5000111.7I88 Q89 I94 S95 E96I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 HydrophobicContact CG2-CG 4.4Å; I88-L92 WeakPolarHBondContact O-CG 3.39Å; I88-L92 PolarHBondContact O-N 3.41Å; Q89-L92 PolarHBondContact O-N 3.02Å; L92-I94 VanDerWaalsContact C-N 3.35Å; L92-I94 PolarHBondContact O-N 3.18Å; L92-S95 PolarHBondContact O-N 3.49Å; L92-E96 PolarHBondContact O-N 2.74Å
93L98.8Very high98.6Very high131 Ų131108 Ų10869%0.68651%0.511SS*.Hα-helixtrans-60-43.1177.3179.161.8000112.2Q89 K90 F97Q89-L93 WeakPolarHBondContact O-CB 3.46Å; Q89-L93 PolarHBondContact O-N 2.78Å; K90-L93 PolarHBondContact O-N 2.89Å; L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 PolarHBondContact O-N 3.45Å
94I98.8Very high98.7Very high66 Ų66108.8 Ų108.834%0.33852%0.517SS..Hα-helixtrans-65.8-41175.7-68.7167.9000110.8K90 L92 F97 Q98K90-I94 HydrophobicContact CG-CD1 3.91Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.26Å; K90-I94 PolarHBondContact O-N 2.77Å; L92-I94 VanDerWaalsContact C-N 3.35Å; L92-I94 PolarHBondContact O-N 3.18Å; I94-F97 PolarHBondContact O-N 3.12Å; I94-Q98 HydrophobicContact CG2-CG 4.47Å; I94-Q98 WeakPolarHBondContact O-CB 3.36Å; I94-Q98 VanDerWaalsContact O-CG 3.29Å; I94-Q98 WeakPolarHBondContact O-CG 3.49Å; I94-Q98 PolarHBondContact O-N 3.02Å
95S98.7Very high98.7Very high58 Ų58105.7 Ų105.741%0.40651%0.51SS..Hα-helixtrans-65.5-46.3179.6-174.60000112.4Q91 L92 Q98 K99Q91-S95 VanDerWaalsContact O-CB 3.31Å; Q91-S95 WeakPolarHBondContact O-CB 3.46Å; Q91-S95 PolarHBondContact O-N 3Å; L92-S95 PolarHBondContact O-N 3.49Å; S95-Q98 PolarHBondContact O-N 2.89Å; S95-K99 VanDerWaalsContact O-CB 3.31Å; S95-K99 WeakPolarHBondContact O-CB 3.44Å; S95-K99 PolarHBondContact O-N 3.12Å
96E98.8Very high98.7Very high82 Ų82107 Ų10738%0.38351%0.51SS..Hα-helixtrans-63.6-42.1173.9-86.2-61141.400111.7L92 Q98 K99 Q100L92-E96 PolarHBondContact O-N 2.74Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.38Å; E96-K99 PolarHBondContact O-N 3.25Å; E96-K99 WeakPolarHBondContact OE1-CD 3.35Å; E96-K99 WeakPolarHBondContact OE1-CE 3.35Å; E96-K99 IonicContact OE1-NZ 3.4Å; E96-K99 PolarHBondContact OE1-NZ 3.37Å; E96-K99 IonicContact OE2-NZ 2.69Å; E96-Q100 WeakPolarHBondContact O-CG 3.29Å; E96-Q100 PolarHBondContact O-N 2.93Å; E96-Q100 PolarHBondContact OE2-NE2 2.93Å
97F98.9Very high98.7Very high143 Ų143109.1 Ų109.163%0.62752%0.519SS*.Hα-helixtrans-57.8-46.5175177.2-94.7000112.1L93 I94 K99 Q100 H101L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 PolarHBondContact O-N 3.45Å; I94-F97 PolarHBondContact O-N 3.12Å; F97-K99 PolarHBondContact O-N 3.09Å; F97-Q100 PolarHBondContact O-N 3.42Å; F97-H101 VanDerWaalsContact O-CB 3.3Å; F97-H101 WeakPolarHBondContact O-CB 3.34Å; F97-H101 PolarHBondContact O-N 3.11Å
98Q98.7Very high98.7Very high115 Ų115107.6 Ų107.654%0.53751%0.512SS..Hα-helixtrans-60.2-45.1176.4-74.6172.1-7.100111.7I94 S95 E96 H101 E102I94-Q98 HydrophobicContact CG2-CG 4.47Å; I94-Q98 WeakPolarHBondContact O-CB 3.36Å; I94-Q98 VanDerWaalsContact O-CG 3.29Å; I94-Q98 WeakPolarHBondContact O-CG 3.49Å; I94-Q98 PolarHBondContact O-N 3.02Å; S95-Q98 PolarHBondContact O-N 2.89Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.38Å; Q98-H101 PolarHBondContact O-N 3.02Å; Q98-E102 WeakPolarHBondContact O-CB 3.42Å; Q98-E102 PolarHBondContact O-N 2.98Å
99K98.8Very high98.6Very high116 Ų116108.3 Ų108.350%0.50451%0.514SS..Hα-helixtrans-62.4-42.7177.8174.2180164.7-167.30113S95 E96 F97 K103S95-K99 VanDerWaalsContact O-CB 3.31Å; S95-K99 WeakPolarHBondContact O-CB 3.44Å; S95-K99 PolarHBondContact O-N 3.12Å; E96-K99 PolarHBondContact O-N 3.25Å; E96-K99 WeakPolarHBondContact OE1-CD 3.35Å; E96-K99 WeakPolarHBondContact OE1-CE 3.35Å; E96-K99 IonicContact OE1-NZ 3.4Å; E96-K99 PolarHBondContact OE1-NZ 3.37Å; E96-K99 IonicContact OE2-NZ 2.69Å; F97-K99 PolarHBondContact O-N 3.09Å; K99-K103 WeakPolarHBondContact O-CB 3.26Å; K99-K103 PolarHBondContact O-N 3.17Å
100Q98.7Very high98.6Very high95 Ų95105.2 Ų105.244%0.44451%0.508SS..Hα-helixtrans-68.5-39.1174.4-59.3-53.8-31.900111.6E96 F97 K103 L104E96-Q100 WeakPolarHBondContact O-CG 3.29Å; E96-Q100 PolarHBondContact O-N 2.93Å; E96-Q100 PolarHBondContact OE2-NE2 2.93Å; F97-Q100 PolarHBondContact O-N 3.42Å; Q100-K103 PolarHBondContact O-N 3.36Å; Q100-L104 WeakPolarHBondContact O-CB 3.45Å; Q100-L104 PolarHBondContact O-N 3.07Å
101H98.7Very high98.6Very high110 Ų110104.6 Ų104.651%0.50951%0.507SS..Hα-helixtrans-64.7-43.6176.5179.565.3000112.3F97 Q98 L104 T105F97-H101 VanDerWaalsContact O-CB 3.3Å; F97-H101 WeakPolarHBondContact O-CB 3.34Å; F97-H101 PolarHBondContact O-N 3.11Å; Q98-H101 PolarHBondContact O-N 3.02Å; H101-L104 PolarHBondContact O-N 3.25Å; H101-T105 WeakPolarHBondContact O-CB 3.44Å; H101-T105 PolarHBondContact O-N 3.49Å; H101-T105 PolarHBondContact O-OG1 2.89Å
102E98.6Very high98.6Very high96 Ų96103.5 Ų103.545%0.44951%0.505SS..Hα-helixtrans-63.2-45.8175.1-169.1-169.2152.800111.1Q98 L104 T105 R106Q98-E102 WeakPolarHBondContact O-CB 3.42Å; Q98-E102 PolarHBondContact O-N 2.98Å; E102-L104 PolarHBondContact O-N 3.08Å; E102-T105 PolarHBondContact O-N 2.56Å; E102-R106 HydrophobicContact CG-CG 4.48Å; E102-R106 WeakPolarHBondContact O-CB 3.38Å; E102-R106 WeakPolarHBondContact O-CG 3.26Å; E102-R106 PolarHBondContact O-N 3.09Å; E102-R106 IonicContact OE1-CZ 2.65Å; E102-R106 IonicContact OE1-NE 3.51Å; E102-R106 PolarHBondContact OE1-NE 3.31Å; E102-R106 IonicContact OE1-NH2 3.14Å; E102-R106 PolarHBondContact OE1-NH2 2.92Å
103K98.5Very high98.6Very high120 Ų120104 Ų10452%0.52250%0.504SS..Hα-helixtrans-55.2-49.2175.7179.3-176.6174.1-173.60111.7K99 Q100 R106 Q107K99-K103 WeakPolarHBondContact O-CB 3.26Å; K99-K103 PolarHBondContact O-N 3.17Å; Q100-K103 PolarHBondContact O-N 3.36Å; K103-R106 PolarHBondContact O-N 3.01Å; K103-Q107 WeakPolarHBondContact O-CG 3.49Å; K103-Q107 PolarHBondContact O-N 3.18Å
104L98.8Very high98.6Very high111 Ų111103.5 Ų103.558%0.58150%0.498SS*.Hα-helixtrans-64-40.7178.3-178.461.7000111.8Q100 H101 E102 Q107 H108Q100-L104 WeakPolarHBondContact O-CB 3.45Å; Q100-L104 PolarHBondContact O-N 3.07Å; H101-L104 PolarHBondContact O-N 3.25Å; E102-L104 PolarHBondContact O-N 3.08Å; L104-Q107 PolarHBondContact O-N 3.44Å; L104-H108 PolarHBondContact O-N 3.01Å
105T98.5Very high98.6Very high69 Ų69105.7 Ų105.742%0.42351%0.507SS..Hα-helixtrans-63.1-43.5177.3-58.40000111.4H101 E102 H108 Q109H101-T105 WeakPolarHBondContact O-CB 3.44Å; H101-T105 PolarHBondContact O-N 3.49Å; H101-T105 PolarHBondContact O-OG1 2.89Å; E102-T105 PolarHBondContact O-N 2.56Å; T105-H108 PolarHBondContact O-N 3.43Å; T105-Q109 WeakPolarHBondContact O-CB 3.04Å; T105-Q109 PolarHBondContact O-N 3.09Å
106R98.7Very high98.6Very high147 Ų147108.1 Ų108.156%0.55552%0.515SS*.Hα-helixtrans-64.5-39174.7-72.2-179.5-177.3-80.92.6112.4E102 K103 Q109 A110E102-R106 HydrophobicContact CG-CG 4.48Å; E102-R106 WeakPolarHBondContact O-CB 3.38Å; E102-R106 WeakPolarHBondContact O-CG 3.26Å; E102-R106 PolarHBondContact O-N 3.09Å; E102-R106 IonicContact OE1-CZ 2.65Å; E102-R106 IonicContact OE1-NE 3.51Å; E102-R106 PolarHBondContact OE1-NE 3.31Å; E102-R106 IonicContact OE1-NH2 3.14Å; E102-R106 PolarHBondContact OE1-NH2 2.92Å; K103-R106 PolarHBondContact O-N 3.01Å; R106-Q109 PolarHBondContact O-N 3.02Å; R106-A110 WeakPolarHBondContact O-CB 3.41Å; R106-A110 PolarHBondContact O-N 2.9Å
107Q98.5Very high98.6Very high117 Ų117110.7 Ų110.755%0.54753%0.525SS..Hα-helixtrans-62.4-44.9173.9-73.9-178.8-63.600111.8K103 L104 A110 Q111K103-Q107 WeakPolarHBondContact O-CG 3.49Å; K103-Q107 PolarHBondContact O-N 3.18Å; L104-Q107 PolarHBondContact O-N 3.44Å; Q107-A110 PolarHBondContact O-N 3.09Å; Q107-Q111 PolarHBondContact O-N 2.8Å
108H98.4Very high98.5Very high109 Ų109108.2 Ų108.251%0.50552%0.518SS..Hα-helixtrans-64.1-41.8175.9-177.353.4000112.3L104 T105 A110 Q111 L112L104-H108 PolarHBondContact O-N 3.01Å; T105-H108 PolarHBondContact O-N 3.43Å; H108-A110 PolarHBondContact O-N 2.97Å; H108-Q111 PolarHBondContact O-N 3.14Å; H108-L112 WeakPolarHBondContact O-CG 3.49Å; H108-L112 PolarHBondContact O-N 3.02Å
109Q98.3Very high98.5Very high102 Ų102107.3 Ų107.348%0.47751%0.513SS..Hα-helixtrans-61.4-43.5175.9-172.7179.721.300112T105 R106 L112 Q113T105-Q109 WeakPolarHBondContact O-CB 3.04Å; T105-Q109 PolarHBondContact O-N 3.09Å; R106-Q109 PolarHBondContact O-N 3.02Å; Q109-L112 PolarHBondContact O-N 2.89Å; Q109-Q113 WeakPolarHBondContact O-CG 3.4Å; Q109-Q113 PolarHBondContact O-N 3.38Å
110A98.3Very high98.4Very high51 Ų51108.3 Ų108.342%0.42152%0.52SS..Hα-helixtrans-62.3-43.6176.500000111.8R106 Q107 H108 L112 Q113 E114R106-A110 WeakPolarHBondContact O-CB 3.41Å; R106-A110 PolarHBondContact O-N 2.9Å; Q107-A110 PolarHBondContact O-N 3.09Å; H108-A110 PolarHBondContact O-N 2.97Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-L112 PolarHBondContact O-N 2.91Å; A110-Q113 PolarHBondContact O-N 3.34Å; A110-E114 PolarHBondContact O-N 3.23Å
111Q98.6Very high98.4Very high128 Ų128108.6 Ų108.660%0.59852%0.521SS*.Hα-helixtrans-60.9-39.4176.3-170.9-174.913.300112.4Q107 H108 H115Q107-Q111 PolarHBondContact O-N 2.8Å; H108-Q111 PolarHBondContact O-N 3.14Å; Q111-H115 WeakPolarHBondContact O-CB 3.33Å; Q111-H115 PolarHBondContact O-N 3.44Å
112L98.6Very high98.4Very high97 Ų97107.4 Ų107.451%0.50852%0.518SS..Hα-helixtrans-67.1-39.6175-71.4174.6000112.3H108 Q109 A110 L116H108-L112 WeakPolarHBondContact O-CG 3.49Å; H108-L112 PolarHBondContact O-N 3.02Å; Q109-L112 PolarHBondContact O-N 2.89Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-L112 PolarHBondContact O-N 2.91Å; L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.38Å
113Q98.6Very high98.3Very high120 Ų120107.8 Ų107.856%0.56152%0.52SS*.Hα-helixtrans-65.9-42.1175.7-73.4175.8-11.100111.9Q109 A110 L116 K117Q109-Q113 WeakPolarHBondContact O-CG 3.4Å; Q109-Q113 PolarHBondContact O-N 3.38Å; A110-Q113 PolarHBondContact O-N 3.34Å; Q113-L116 PolarHBondContact O-N 3.34Å; Q113-K117 WeakPolarHBondContact O-CB 3.34Å; Q113-K117 PolarHBondContact O-N 3.43Å
114E98.1Very high98.3Very high121 Ų121104.7 Ų104.757%0.56552%0.517SS*.Hα-helixtrans-61.1-49.4174.8-172.8-173.4170.100111.3A110 L116 K117 L118A110-E114 PolarHBondContact O-N 3.23Å; E114-L116 VanDerWaalsContact C-N 3.32Å; E114-L116 PolarHBondContact O-N 2.87Å; E114-K117 PolarHBondContact O-N 3.38Å; E114-L118 HydrophobicContact CG-CD1 4.07Å; E114-L118 HydrophobicContact CG-CG 4.48Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 3.28Å
115H98.4Very high98.2Very high113 Ų113103.5 Ų103.552%0.52351%0.509SS..Hα-helixtrans-59.9-40.2177.4177.1-89.3000112.5Q111 Q119Q111-H115 WeakPolarHBondContact O-CB 3.33Å; Q111-H115 PolarHBondContact O-N 3.44Å; H115-Q119 WeakPolarHBondContact O-CB 3.22Å; H115-Q119 PolarHBondContact O-N 3.13Å
116L98.6Very high98.2Very high109 Ų109106.9 Ų106.957%0.57152%0.518SS*.Hα-helixtrans-65.7-42.4175.4-17861.5000111.9L112 Q113 E114 Q119 Q120L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.38Å; Q113-L116 PolarHBondContact O-N 3.34Å; E114-L116 VanDerWaalsContact C-N 3.32Å; E114-L116 PolarHBondContact O-N 2.87Å; L116-Q119 PolarHBondContact O-N 2.97Å; L116-Q120 PolarHBondContact O-N 3.34Å
117K98.5Very high98.1Very high136 Ų136106 Ų10659%0.59152%0.52SS*.Hα-helixtrans-61.1-49.4175.6-177.4-172.7171.9-170.30111.3Q113 E114 Q119 Q120 E121Q113-K117 WeakPolarHBondContact O-CB 3.34Å; Q113-K117 PolarHBondContact O-N 3.43Å; E114-K117 PolarHBondContact O-N 3.38Å; K117-Q119 VanDerWaalsContact C-N 3.28Å; K117-Q119 PolarHBondContact O-N 3.46Å; K117-Q120 WeakPolarHBondContact O-CB 3.46Å; K117-Q120 PolarHBondContact O-N 3.45Å; K117-Q120 VanDerWaalsContact O-N 3.1Å; K117-E121 WeakPolarHBondContact O-CB 3.42Å; K117-E121 PolarHBondContact O-N 2.8Å
118L98.4Very high98Very high91 Ų91107 Ų10748%0.47653%0.525SS..Hα-helixtrans-61.1-37.1178.2-70.1171.8000111.9E114 E121 L122E114-L118 HydrophobicContact CG-CD1 4.07Å; E114-L118 HydrophobicContact CG-CG 4.48Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 3.28Å; L118-E121 PolarHBondContact O-N 3.07Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.41Å; L118-L122 PolarHBondContact O-N 3.48Å
119Q98.1Very high97.9Very high95 Ų95105.7 Ų105.744%0.44452%0.519SS..Hα-helixtrans-63.2-41.9173.5-177.3178114.600112.2H115 L116 K117 Q123H115-Q119 WeakPolarHBondContact O-CB 3.22Å; H115-Q119 PolarHBondContact O-N 3.13Å; L116-Q119 PolarHBondContact O-N 2.97Å; K117-Q119 VanDerWaalsContact C-N 3.28Å; K117-Q119 PolarHBondContact O-N 3.46Å; Q119-Q123 VanDerWaalsContact O-CG 3.29Å; Q119-Q123 WeakPolarHBondContact O-CG 3.25Å; Q119-Q123 PolarHBondContact O-N 2.83Å
120Q97.5Very high97.8Very high137 Ų137107 Ų10764%0.6453%0.525SS*.Hα-helixtrans-68.8-42177.2-170.2177.223.400111.8L116 K117 Q123 A124L116-Q120 PolarHBondContact O-N 3.34Å; K117-Q120 WeakPolarHBondContact O-CB 3.46Å; K117-Q120 PolarHBondContact O-N 3.45Å; K117-Q120 VanDerWaalsContact O-N 3.1Å; Q120-Q123 WeakPolarHBondContact O-CB 3.47Å; Q120-Q123 PolarHBondContact O-N 2.86Å; Q120-A124 PolarHBondContact O-N 2.97Å
121E97.6Very high97.8Very high101 Ų101110.1 Ų110.147%0.47253%0.534SS..Hα-helixtrans-63.7-42.9178.1-170172.8156.600111.8K117 L118 Q123 A124 M125K117-E121 WeakPolarHBondContact O-CB 3.42Å; K117-E121 PolarHBondContact O-N 2.8Å; L118-E121 PolarHBondContact O-N 3.07Å; E121-Q123 VanDerWaalsContact C-N 3.31Å; E121-Q123 PolarHBondContact O-N 2.92Å; E121-A124 PolarHBondContact O-N 3.22Å; E121-M125 WeakPolarHBondContact O-CB 3.15Å; E121-M125 PolarHBondContact O-N 2.85Å
122L98.3Very high97.7Very high85 Ų85106.6 Ų106.645%0.44553%0.526SS..Hα-helixtrans-63.4-35.6174.7-174.464.5000112.3L118 K126L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.41Å; L118-L122 PolarHBondContact O-N 3.48Å; L122-K126 VanDerWaalsContact O-CB 3.32Å; L122-K126 WeakPolarHBondContact O-CB 3.28Å; L122-K126 PolarHBondContact O-N 2.93Å
123Q97.4Very high97.5Very high105 Ų105106.4 Ų106.449%0.49152%0.523SS..Hα-helixtrans-67.8-42.8174-72.3172.924.700111.8Q119 Q120 E121 K126 Q127Q119-Q123 VanDerWaalsContact O-CG 3.29Å; Q119-Q123 WeakPolarHBondContact O-CG 3.25Å; Q119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 WeakPolarHBondContact O-CB 3.47Å; Q120-Q123 PolarHBondContact O-N 2.86Å; E121-Q123 VanDerWaalsContact C-N 3.31Å; E121-Q123 PolarHBondContact O-N 2.92Å; Q123-K126 PolarHBondContact O-N 3.43Å; Q123-Q127 WeakPolarHBondContact O-CG 3.33Å; Q123-Q127 PolarHBondContact O-N 3.43Å
124A98.2Very high97.4Very high55 Ų55107.2 Ų107.246%0.45553%0.525SS..Hα-helixtrans-64-47.6176.200000111.9Q120 E121 K126 Q127 Q128Q120-A124 PolarHBondContact O-N 2.97Å; E121-A124 PolarHBondContact O-N 3.22Å; A124-K126 VanDerWaalsContact C-N 3.29Å; A124-K126 PolarHBondContact O-N 3.45Å; A124-Q127 PolarHBondContact O-N 3.17Å; A124-Q128 PolarHBondContact O-N 3.47Å
125M97.6Very high97.3Very high86 Ų86108.2 Ų108.242%0.42453%0.529SS..Hα-helixtrans-58-41.2175.1-171.7-154.8-62.700111.5E121 Q128 Q129E121-M125 WeakPolarHBondContact O-CB 3.15Å; E121-M125 PolarHBondContact O-N 2.85Å; M125-Q128 PolarHBondContact O-N 3.02Å; M125-Q129 WeakPolarHBondContact O-CB 3.22Å; M125-Q129 PolarHBondContact O-N 3.21Å
126K97.1Very high97.2Very high139 Ų139110.6 Ų110.660%0.60453%0.534SS*.Hα-helixtrans-62.2-45.4176.4-174-168170.6-163.40111.8L122 Q123 A124 Q128 Q129 E130L122-K126 VanDerWaalsContact O-CB 3.32Å; L122-K126 WeakPolarHBondContact O-CB 3.28Å; L122-K126 PolarHBondContact O-N 2.93Å; Q123-K126 PolarHBondContact O-N 3.43Å; A124-K126 VanDerWaalsContact C-N 3.29Å; A124-K126 PolarHBondContact O-N 3.45Å; K126-Q128 VanDerWaalsContact C-N 3.35Å; K126-Q129 PolarHBondContact O-N 3.34Å; K126-E130 PolarHBondContact O-N 2.94Å
127Q97.3Very high97.1Very high129 Ų129112.9 Ų112.960%0.60354%0.535SS*.Hα-helixtrans-62.7-42.1177.3-70.9176.78.800111.4Q123 A124 Q129 E130 L131Q123-Q127 WeakPolarHBondContact O-CG 3.33Å; Q123-Q127 PolarHBondContact O-N 3.43Å; A124-Q127 PolarHBondContact O-N 3.17Å; Q127-Q129 PolarHBondContact O-N 2.83Å; Q127-E130 PolarHBondContact O-N 3.49Å; Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 3.31Å
128Q96.5Very high97Very high138 Ų138111.3 Ų111.365%0.64553%0.532SS*.Hα-helixtrans-61.8-42.1175.1-167-178.323.600112.1A124 M125 K126 L131 A132A124-Q128 PolarHBondContact O-N 3.47Å; M125-Q128 PolarHBondContact O-N 3.02Å; K126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-L131 PolarHBondContact O-N 2.88Å; Q128-A132 PolarHBondContact O-N 2.94Å
129Q96.3Very high96.8Very high81 Ų81113 Ų11338%0.37954%0.538SS..Hα-helixtrans-63.4-39.6174.8176.8154.7111.800112.2M125 K126 Q127 A132 E133 K510M125-Q129 WeakPolarHBondContact O-CB 3.22Å; M125-Q129 PolarHBondContact O-N 3.21Å; K126-Q129 PolarHBondContact O-N 3.34Å; Q127-Q129 PolarHBondContact O-N 2.83Å; Q129-A132 PolarHBondContact O-N 3.35Å; Q129-E133 WeakPolarHBondContact O-CB 3.33Å; Q129-E133 PolarHBondContact O-N 3.06Å; Q129-K510 VanDerWaalsContact OE1-NZ 3.16Å
130E96.4Very high96.7Very high129 Ų129113.8 Ų113.860%0.60354%0.541SS*.Hα-helixtrans-67.5-38.5178.1-170.5170.3161.900112.2K126 Q127 K134K126-E130 PolarHBondContact O-N 2.94Å; Q127-E130 PolarHBondContact O-N 3.49Å; E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 3Å
131L97.3Very high96.6Very high118 Ų118113.5 Ų113.562%0.61854%0.54SS*.Hα-helixtrans-64.5-48.2173.2-69.2172.2000111.9Q127 Q128 E133 K134 E135Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 3.31Å; Q128-L131 PolarHBondContact O-N 2.88Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 2.82Å; L131-K134 WeakPolarHBondContact O-CB 3.23Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.15Å; L131-E135 PolarHBondContact O-N 3.36Å
132A96.4Very high96.5Very high53 Ų53115.1 Ų115.144%0.43855%0.548SS..Hα-helixtrans-64.7-33.3178.300000112.9Q128 Q129 R136Q128-A132 PolarHBondContact O-N 2.94Å; Q129-A132 PolarHBondContact O-N 3.35Å; A132-R136 PolarHBondContact O-N 2.89Å; A132-R136 VanDerWaalsContact O-N 3.1Å
133E95.8Very high96.4Very high93 Ų93117 Ų11744%0.43555%0.554SS.*Hα-helixtrans-70.4-38.1172.9-157.7-166.4142.100111.7Q129 L131 E135 R136 R137Q129-E133 WeakPolarHBondContact O-CB 3.33Å; Q129-E133 PolarHBondContact O-N 3.06Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 2.82Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E133-R136 PolarHBondContact O-N 3.4Å; E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.37Å; E133-R137 PolarHBondContact O-N 2.81Å; E133-R137 IonicContact OE1-CZ 3.71Å; E133-R137 IonicContact OE1-NE 3.19Å; E133-R137 PolarHBondContact OE1-NE 3.42Å; E133-R137 IonicContact OE1-NH2 2.81Å; E133-R137 PolarHBondContact OE1-NH2 2.87Å
134K96.1Very high96.3Very high138 Ų138117.8 Ų117.860%0.656%0.558SS**Hα-helixtrans-62.8-40.8175.2-175.9-176.6176.1-172.60111.8E130 L131 R137 L138E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 3Å; L131-K134 WeakPolarHBondContact O-CB 3.23Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.15Å; K134-R137 PolarHBondContact O-N 3.18Å; K134-L138 PolarHBondContact O-N 3.35Å; K134-L138 VanDerWaalsContact O-N 3.09Å
135E94.9Very high96.2Very high141 Ų141120.6 Ų120.666%0.65956%0.562SS**Hα-helixtrans-61.9-52.5174.6-175.6171.9-156.500111.6L131 E133 R137 L138 E139L131-E135 PolarHBondContact O-N 3.36Å; E133-E135 VanDerWaalsContact C-N 3.35Å; E135-R137 PolarHBondContact O-N 2.96Å; E135-L138 WeakPolarHBondContact O-CB 3.34Å; E135-L138 PolarHBondContact O-N 2.8Å; E135-E139 PolarHBondContact O-N 3.5Å
136R96.5Very high96Very high163 Ų163121.6 Ų121.662%0.61557%0.565SS**Hα-helixtrans-55.7-37.2174.2-177-170.9-71.8-169.1-6.3112.8A132 E133 Q140A132-R136 PolarHBondContact O-N 2.89Å; A132-R136 VanDerWaalsContact O-N 3.1Å; E133-R136 PolarHBondContact O-N 3.4Å; R136-Q140 VanDerWaalsContact O-CB 3.3Å; R136-Q140 WeakPolarHBondContact O-CB 3.47Å; R136-Q140 PolarHBondContact O-N 2.79Å
137R96.6Very high95.9Very high158 Ų158120.3 Ų120.360%0.59656%0.561SS**Hα-helixtrans-68-34.8176.9-74.2170.7-179.5-154.28.1112.3E133 K134 E135 Q141E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 VanDerWaalsContact O-CG 3.24Å; E133-R137 WeakPolarHBondContact O-CG 3.37Å; E133-R137 PolarHBondContact O-N 2.81Å; E133-R137 IonicContact OE1-CZ 3.71Å; E133-R137 IonicContact OE1-NE 3.19Å; E133-R137 PolarHBondContact OE1-NE 3.42Å; E133-R137 IonicContact OE1-NH2 2.81Å; E133-R137 PolarHBondContact OE1-NH2 2.87Å; K134-R137 PolarHBondContact O-N 3.18Å; E135-R137 PolarHBondContact O-N 2.96Å; R137-Q141 WeakPolarHBondContact O-CB 3.37Å; R137-Q141 PolarHBondContact O-N 2.92Å
138L96.6Very high95.8Very high102 Ų102120.8 Ų120.853%0.53456%0.564SS.*Hα-helixtrans-68.6-45.7173.5-79.9158.2000111.3K134 E135 Q141 Q142K134-L138 PolarHBondContact O-N 3.35Å; K134-L138 VanDerWaalsContact O-N 3.09Å; E135-L138 WeakPolarHBondContact O-CB 3.34Å; E135-L138 PolarHBondContact O-N 2.8Å; L138-Q141 PolarHBondContact O-N 3.42Å; L138-Q142 PolarHBondContact O-N 3.47Å
139E94.9Very high95.7Very high128 Ų128119.3 Ų119.360%0.59856%0.557SS**Hα-helixtrans-57.7-48.3173.8-175.6-172-157.700111.5E135 Q141 Q142 Q143E135-E139 PolarHBondContact O-N 3.5Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.49Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 3.17Å; E139-Q143 PolarHBondContact O-N 2.92Å
140Q95.2Very high95.6Very high110 Ų110120.4 Ų120.451%0.51456%0.562SS.*Hα-helixtrans-62.5-36176.7179.3169.592.500112.7R136 Q144R136-Q140 VanDerWaalsContact O-CB 3.3Å; R136-Q140 WeakPolarHBondContact O-CB 3.47Å; R136-Q140 PolarHBondContact O-N 2.79Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.96Å
141Q95.6Very high95.5Very high131 Ų131119.8 Ų119.861%0.61256%0.559SS**Hα-helixtrans-68.2-40.8174.3178.8170.39100111.7R137 L138 E139 Q144 Q145R137-Q141 WeakPolarHBondContact O-CB 3.37Å; R137-Q141 PolarHBondContact O-N 2.92Å; L138-Q141 PolarHBondContact O-N 3.42Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.49Å; Q141-Q144 PolarHBondContact O-N 2.89Å; Q141-Q145 WeakPolarHBondContact O-CB 3.49Å; Q141-Q145 PolarHBondContact O-N 2.95Å
142Q96.6Very high95.3Very high136 Ų136119.1 Ų119.164%0.63656%0.556SS**Hα-helixtrans-62.7-44.6175.1-170.8-173.398.900111.1L138 E139 Q145 Q146L138-Q142 PolarHBondContact O-N 3.47Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 3.17Å; Q142-Q145 PolarHBondContact O-N 3.03Å; Q142-Q146 PolarHBondContact O-N 3.23Å
143Q95.2Very high95.2Very high125 Ų125121.9 Ų121.958%0.58456%0.56SS**Hα-helixtrans-63.7-41.2177.3-172.1174.482.200112.2E139 Q146 Q147E139-Q143 PolarHBondContact O-N 2.92Å; Q143-Q146 PolarHBondContact O-N 3.44Å; Q143-Q147 WeakPolarHBondContact O-CB 3.44Å; Q143-Q147 PolarHBondContact O-N 3.43Å
144Q95.6Very high95.1Very high120 Ų120123.4 Ų123.456%0.56157%0.567SS**Hα-helixtrans-62.8-41.1172.6-75.9177.331.800112.2Q140 Q141 Q147 Q148Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.96Å; Q141-Q144 PolarHBondContact O-N 2.89Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q144-Q148 WeakPolarHBondContact O-CB 3.48Å; Q144-Q148 PolarHBondContact O-N 3.37Å
145Q95.1Very high94.8Very high115 Ų115123.4 Ų123.454%0.53757%0.569SS.*Hα-helixtrans-64.8-43177-175.2176.793.500111.7Q141 Q142 Q148 Q149Q141-Q145 WeakPolarHBondContact O-CB 3.49Å; Q141-Q145 PolarHBondContact O-N 2.95Å; Q142-Q145 PolarHBondContact O-N 3.03Å; Q145-Q148 PolarHBondContact O-N 3.45Å; Q145-Q149 WeakPolarHBondContact O-CG 3.4Å; Q145-Q149 PolarHBondContact O-N 2.83Å
146Q94.9Very high94.6Very high107 Ų107123.1 Ų123.150%0.557%0.566SS.*Hα-helixtrans-64.2-42.8176-170.2-174.185.800111.6Q142 Q143 Q148 Q149 Q150Q142-Q146 PolarHBondContact O-N 3.23Å; Q143-Q146 PolarHBondContact O-N 3.44Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 2.84Å; Q146-Q149 WeakPolarHBondContact O-CB 3.32Å; Q146-Q149 PolarHBondContact O-N 2.83Å; Q146-Q149 VanDerWaalsContact O-N 3.17Å; Q146-Q150 WeakPolarHBondContact O-CG 3.38Å; Q146-Q150 PolarHBondContact O-N 3.18Å
147Q94.8Very high94.3Very high112 Ų112119.9 Ų119.952%0.52356%0.557SS.*Hα-helixtrans-64.7-36.4176.3-169.9170.195.400112.1Q143 Q144 Q150 Q151Q143-Q147 WeakPolarHBondContact O-CB 3.44Å; Q143-Q147 PolarHBondContact O-N 3.43Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q147-Q150 PolarHBondContact O-N 3.42Å; Q147-Q151 PolarHBondContact O-N 3.21Å
148Q94.9Very high94.1Very high139 Ų139118.2 Ų118.265%0.6556%0.56SS**Hα-helixtrans-68.2-34.7172.5-177.1166.982.200112.4Q144 Q145 Q146 Q151 N152Q144-Q148 WeakPolarHBondContact O-CB 3.48Å; Q144-Q148 PolarHBondContact O-N 3.37Å; Q145-Q148 PolarHBondContact O-N 3.45Å; Q146-Q148 VanDerWaalsContact C-N 3.33Å; Q146-Q148 PolarHBondContact O-N 2.84Å; Q148-Q151 PolarHBondContact O-N 2.87Å; Q148-N152 WeakPolarHBondContact O-CB 3.49Å; Q148-N152 PolarHBondContact O-N 2.91Å
149Q94.4Very high93.7Very high107 Ų107115.8 Ų115.850%0.555%0.545SS..Hα-helixtrans-66.7-35.1171.3-71.8175.916.200112.3Q145 Q146 Q153Q145-Q149 WeakPolarHBondContact O-CG 3.4Å; Q145-Q149 PolarHBondContact O-N 2.83Å; Q146-Q149 WeakPolarHBondContact O-CB 3.32Å; Q146-Q149 PolarHBondContact O-N 2.83Å; Q146-Q149 VanDerWaalsContact O-N 3.17Å; Q149-Q153 WeakPolarHBondContact O-CG 3.45Å; Q149-Q153 PolarHBondContact O-N 3.07Å; Q149-Q153 VanDerWaalsContact O-N 3.09Å; Q149-Q153 PolarHBondContact O-NE2 2.88Å
150Q94.6Very high93.5Very high103 Ų103116.1 Ų116.148%0.48154%0.541SS..Hα-helixtrans-66.6-45.7173.3-69.6175.116.300111.7Q146 Q147 N152 Q153 Q154Q146-Q150 WeakPolarHBondContact O-CG 3.38Å; Q146-Q150 PolarHBondContact O-N 3.18Å; Q147-Q150 PolarHBondContact O-N 3.42Å; Q150-N152 PolarHBondContact O-N 2.66Å; Q150-Q153 PolarHBondContact O-N 3.39Å; Q150-Q154 PolarHBondContact O-N 3.44Å
151Q93.5Very high93.3Very high117 Ų117116 Ų11655%0.54754%0.541SS..Hα-helixtrans-60-42.9175.7-73.5179.7-6.400112.5Q147 Q148 Q153 Q154 E155Q147-Q151 PolarHBondContact O-N 3.21Å; Q148-Q151 PolarHBondContact O-N 2.87Å; Q151-Q153 VanDerWaalsContact C-N 3.29Å; Q151-Q153 PolarHBondContact O-N 2.9Å; Q151-Q154 PolarHBondContact O-N 3.45Å; Q151-E155 PolarHBondContact O-N 3.38Å
152N94.1Very high92.9Very high103 Ų103117.4 Ų117.455%0.55154%0.54SS*.Hα-helixtrans-67.2-29.4178-164.1-14.9000112.1Q148 Q150 K156Q148-N152 WeakPolarHBondContact O-CB 3.49Å; Q148-N152 PolarHBondContact O-N 2.91Å; Q150-N152 PolarHBondContact O-N 2.66Å; N152-K156 VanDerWaalsContact O-CB 3.25Å; N152-K156 WeakPolarHBondContact O-CB 3.41Å; N152-K156 PolarHBondContact O-N 3.14Å; N152-K156 VanDerWaalsContact O-N 3.09Å
153Q93.5Very high92.4Very high112 Ų112118.3 Ų118.352%0.52354%0.538SS..Hα-helixtrans-69.5-46.9170.4-76170.8107.100111.8Q149 Q150 Q151 E155 K156 E157Q149-Q153 WeakPolarHBondContact O-CG 3.45Å; Q149-Q153 PolarHBondContact O-N 3.07Å; Q149-Q153 VanDerWaalsContact O-N 3.09Å; Q149-Q153 PolarHBondContact O-NE2 2.88Å; Q150-Q153 PolarHBondContact O-N 3.39Å; Q151-Q153 VanDerWaalsContact C-N 3.29Å; Q151-Q153 PolarHBondContact O-N 2.9Å; Q153-E155 VanDerWaalsContact C-N 3.35Å; Q153-E155 PolarHBondContact O-N 2.83Å; Q153-K156 CarbonylContact O-C 3.59Å; Q153-K156 WeakPolarHBondContact O-CB 3.24Å; Q153-K156 PolarHBondContact O-N 3.06Å; Q153-K156 VanDerWaalsContact O-N 3.12Å; Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 2.89Å
154Q92.8Very high91.9Very high124 Ų124116.5 Ų116.558%0.57953%0.529SS*.Hα-helixtrans-59.9-41.6174.8-73-174.9-23.400112.5Q150 Q151 K156 E157 L158Q150-Q154 PolarHBondContact O-N 3.44Å; Q151-Q154 PolarHBondContact O-N 3.45Å; Q154-K156 VanDerWaalsContact C-N 3.31Å; Q154-K156 PolarHBondContact O-N 2.79Å; Q154-E157 PolarHBondContact O-N 3.34Å; Q154-L158 WeakPolarHBondContact O-CB 3.45Å; Q154-L158 PolarHBondContact O-N 3.33Å
155E91.3Very high91.2Very high139 Ų139117.5 Ų117.565%0.6553%0.534SS*.Hα-helixtrans-62-39.9175-172.9177174.200111.4Q151 Q153 E157 E159Q151-E155 PolarHBondContact O-N 3.38Å; Q153-E155 VanDerWaalsContact C-N 3.35Å; Q153-E155 PolarHBondContact O-N 2.83Å; E155-E157 VanDerWaalsContact C-N 3.34Å; E155-E157 PolarHBondContact O-N 3.47Å; E155-E159 VanDerWaalsContact O-CB 3.26Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 PolarHBondContact O-N 2.97Å
156K90.4Very high90.3Very high135 Ų135117.8 Ų117.859%0.58754%0.535SS*.Hα-helixtrans-70.1-27.3176.8-170.8177.7-178.5-177.20113.4N152 Q153 Q154 R160N152-K156 VanDerWaalsContact O-CB 3.25Å; N152-K156 WeakPolarHBondContact O-CB 3.41Å; N152-K156 PolarHBondContact O-N 3.14Å; N152-K156 VanDerWaalsContact O-N 3.09Å; Q153-K156 CarbonylContact O-C 3.59Å; Q153-K156 WeakPolarHBondContact O-CB 3.24Å; Q153-K156 PolarHBondContact O-N 3.06Å; Q153-K156 VanDerWaalsContact O-N 3.12Å; Q154-K156 VanDerWaalsContact C-N 3.31Å; Q154-K156 PolarHBondContact O-N 2.79Å; K156-R160 PolarHBondContact O-N 3.03Å; K156-R160 VanDerWaalsContact O-N 3.11Å
157E90.2Very high89.5Confident94 Ų94117.4 Ų117.444%0.43954%0.54SS..Hα-helixtrans-77.8-45.3173.5-73.9167.1173.600111.6Q153 Q154 E155 E159 R160 H161Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 2.89Å; Q154-E157 PolarHBondContact O-N 3.34Å; E155-E157 VanDerWaalsContact C-N 3.34Å; E155-E157 PolarHBondContact O-N 3.47Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.49Å; E157-R160 WeakPolarHBondContact O-CA 3.49Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 2.65Å; E157-H161 PolarHBondContact O-N 2.93Å
158L91.4Very high88.6Confident123 Ų123115.1 Ų115.164%0.64454%0.536SS*.Hα-helixtrans-56.2-41.9169-80.9160.1000111.9Q154 R160 H161 R162Q154-L158 WeakPolarHBondContact O-CB 3.45Å; Q154-L158 PolarHBondContact O-N 3.33Å; L158-R160 VanDerWaalsContact C-N 3.32Å; L158-R160 PolarHBondContact O-N 3.3Å; L158-H161 PolarHBondContact O-N 3.47Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 3.44Å
159E89.4Confident87.5Confident51 Ų51111.5 Ų111.524%0.23853%0.526CS..Hα-helixtrans-66.3-32.3174.5175.459.3-176.200112.7E155 E157 R162 R163E155-E159 VanDerWaalsContact O-CB 3.26Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 PolarHBondContact O-N 2.97Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.49Å; E159-R162 VanDerWaalsContact CD-NH2 3.29Å; E159-R162 IonicContact OE1-NH2 3.09Å; E159-R162 PolarHBondContact OE1-NH2 3.1Å; E159-R162 VanDerWaalsContact OE1-NH2 3.09Å; E159-R162 IonicContact OE2-CZ 3.1Å; E159-R162 IonicContact OE2-NE 2.75Å; E159-R162 PolarHBondContact OE2-NE 3.46Å; E159-R162 IonicContact OE2-NH2 2.68Å; E159-R162 PolarHBondContact OE2-NH2 2.97Å; E159-R163 WeakPolarHBondContact O-CD 3.41Å; E159-R163 VanDerWaalsContact O-CG 3.26Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.36Å; E159-R163 VanDerWaalsContact O-N 3.17Å; E159-R163 IonicContact OE1-CZ 3.53Å; E159-R163 IonicContact OE1-NE 3.81Å; E159-R163 PolarHBondContact OE1-NE 2.94Å; E159-R163 IonicContact OE1-NH2 3.97Å; E159-R163 PolarHBondContact OE1-NH2 3.11Å
160R90.5Very high86.3Confident136 Ų136111.3 Ų111.351%0.51353%0.528SS..Hα-helixtrans-67.1-51.8171.6-110.9-164.9-69.5-137.68.2111.2K156 E157 L158 R162 R163 E164K156-R160 PolarHBondContact O-N 3.03Å; K156-R160 VanDerWaalsContact O-N 3.11Å; E157-R160 WeakPolarHBondContact O-CA 3.49Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 2.65Å; L158-R160 VanDerWaalsContact C-N 3.32Å; L158-R160 PolarHBondContact O-N 3.3Å; R160-R162 VanDerWaalsContact C-N 3.28Å; R160-R162 PolarHBondContact O-N 2.97Å; R160-R163 CarbonylContact O-C 3.49Å; R160-R163 WeakPolarHBondContact O-CA 3.34Å; R160-R163 WeakPolarHBondContact O-CB 3.23Å; R160-R163 PolarHBondContact O-N 3Å; R160-E164 WeakPolarHBondContact O-CG 3.08Å; R160-E164 PolarHBondContact O-N 3.36Å
161H89.9Confident84.7Confident108 Ų108110.2 Ų110.250%0.553%0.532SS..Hα-helixtrans-59.7-36.9177.3-66.7-32000112.7E157 L158 R163 E164 Q165E157-H161 PolarHBondContact O-N 2.93Å; L158-H161 PolarHBondContact O-N 3.47Å; H161-R163 VanDerWaalsContact C-N 3.35Å; H161-R163 PolarHBondContact O-N 3.09Å; H161-E164 WeakPolarHBondContact CA-OE2 3.38Å; H161-E164 IonicContact CE1-OE2 2.69Å; H161-E164 IonicContact CG-OE2 3.81Å; H161-E164 IonicContact ND1-OE2 2.74Å; H161-E164 PolarHBondContact ND1-OE2 3.18Å; H161-E164 PolarHBondContact O-N 2.87Å; H161-Q165 WeakPolarHBondContact O-CB 3.38Å; H161-Q165 VanDerWaalsContact O-CG 3.3Å; H161-Q165 WeakPolarHBondContact O-CG 3.3Å; H161-Q165 PolarHBondContact O-N 2.91Å
162R88.3Confident83Confident159 Ų159110.9 Ų110.960%0.654%0.538SS*.Hα-helixtrans-61.3-41.2172.6-170.9176.372.9126.91.9112.3L158 E159 R160 H166L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 3.44Å; E159-R162 VanDerWaalsContact CD-NH2 3.29Å; E159-R162 IonicContact OE1-NH2 3.09Å; E159-R162 PolarHBondContact OE1-NH2 3.1Å; E159-R162 VanDerWaalsContact OE1-NH2 3.09Å; E159-R162 IonicContact OE2-CZ 3.1Å; E159-R162 IonicContact OE2-NE 2.75Å; E159-R162 PolarHBondContact OE2-NE 3.46Å; E159-R162 IonicContact OE2-NH2 2.68Å; E159-R162 PolarHBondContact OE2-NH2 2.97Å; R160-R162 VanDerWaalsContact C-N 3.28Å; R160-R162 PolarHBondContact O-N 2.97Å; R162-H166 WeakPolarHBondContact O-CB 3.46Å; R162-H166 PolarHBondContact O-N 3.42Å
163R86.3Confident81.2Confident156 Ų156115.8 Ų115.859%0.58955%0.549SS*.Hα-helixtrans-69.8-42.5175.6-70.5168.9-172.7-148.82.6111.8E159 R160 H161 H166 V167E159-R163 WeakPolarHBondContact O-CD 3.41Å; E159-R163 VanDerWaalsContact O-CG 3.26Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.36Å; E159-R163 VanDerWaalsContact O-N 3.17Å; E159-R163 IonicContact OE1-CZ 3.53Å; E159-R163 IonicContact OE1-NE 3.81Å; E159-R163 PolarHBondContact OE1-NE 2.94Å; E159-R163 IonicContact OE1-NH2 3.97Å; E159-R163 PolarHBondContact OE1-NH2 3.11Å; R160-R163 CarbonylContact O-C 3.49Å; R160-R163 WeakPolarHBondContact O-CA 3.34Å; R160-R163 WeakPolarHBondContact O-CB 3.23Å; R160-R163 PolarHBondContact O-N 3Å; H161-R163 VanDerWaalsContact C-N 3.35Å; H161-R163 PolarHBondContact O-N 3.09Å; R163-H166 PolarHBondContact O-N 2.96Å; R163-V167 WeakPolarHBondContact O-CB 3.38Å; R163-V167 WeakPolarHBondContact O-CG2 3.34Å; R163-V167 PolarHBondContact O-N 3.42Å
164E83.7Confident79.3Confident86 Ų86111.1 Ų111.140%0.40253%0.531SS..Hα-helixtrans-61.8-43.2176.9-71.3150.6-162.300111.2R160 H161 V167 S168R160-E164 WeakPolarHBondContact O-CG 3.08Å; R160-E164 PolarHBondContact O-N 3.36Å; H161-E164 WeakPolarHBondContact CA-OE2 3.38Å; H161-E164 IonicContact CE1-OE2 2.69Å; H161-E164 IonicContact CG-OE2 3.81Å; H161-E164 IonicContact ND1-OE2 2.74Å; H161-E164 PolarHBondContact ND1-OE2 3.18Å; H161-E164 PolarHBondContact O-N 2.87Å; E164-V167 PolarHBondContact O-N 3.21Å; E164-S168 WeakPolarHBondContact O-CB 3.29Å; E164-S168 PolarHBondContact O-N 3.37Å; E164-S168 PolarHBondContact O-OG 3.37Å
165Q80.4Confident77.2Confident142 Ų142114.3 Ų114.366%0.66454%0.543SS*.Hα-helixtrans-63.5-39.9171.1-73.4178.26.100112.8H161 S168 S169H161-Q165 WeakPolarHBondContact O-CB 3.38Å; H161-Q165 VanDerWaalsContact O-CG 3.3Å; H161-Q165 WeakPolarHBondContact O-CG 3.3Å; H161-Q165 PolarHBondContact O-N 2.91Å; Q165-S168 PolarHBondContact O-N 3.17Å; Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 2.94Å; Q165-S169 PolarHBondContact O-OG 2.79Å
166H77.5Confident75.4Confident121 Ų121115.5 Ų115.556%0.5655%0.549SS*.Hα-helixtrans-66.6-43.2176.9-165.7-89.8000111.7R162 R163 S169 L170R162-H166 WeakPolarHBondContact O-CB 3.46Å; R162-H166 PolarHBondContact O-N 3.42Å; R163-H166 PolarHBondContact O-N 2.96Å; H166-S169 PolarHBondContact O-OG 3.09Å; H166-S169 VanDerWaalsContact O-OG 3.08Å; H166-L170 WeakPolarHBondContact O-CB 3.36Å; H166-L170 VanDerWaalsContact O-CG 3.27Å; H166-L170 WeakPolarHBondContact O-CG 3.27Å; H166-L170 PolarHBondContact O-N 3.24Å
167V77.6Confident73.6Confident98 Ų98115.9 Ų115.959%0.59455%0.546SS*.Hα-helixtrans-65.8-39.6174.7170.90000110.9R163 E164 L170 S171R163-V167 WeakPolarHBondContact O-CB 3.38Å; R163-V167 WeakPolarHBondContact O-CG2 3.34Å; R163-V167 PolarHBondContact O-N 3.42Å; E164-V167 PolarHBondContact O-N 3.21Å; V167-L170 PolarHBondContact O-N 3.31Å; V167-S171 VanDerWaalsContact O-CB 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.36Å; V167-S171 PolarHBondContact O-N 3.07Å
168S75.4Confident71.4Confident64 Ų64115.2 Ų115.245%0.44855%0.552SS.*Hα-helixtrans-69.8-40.9179.6-57.30000112.4E164 Q165 S171 L172E164-S168 WeakPolarHBondContact O-CB 3.29Å; E164-S168 PolarHBondContact O-N 3.37Å; E164-S168 PolarHBondContact O-OG 3.37Å; Q165-S168 PolarHBondContact O-N 3.17Å; S168-S171 WeakPolarHBondContact O-CB 3.28Å; S168-S171 PolarHBondContact O-N 3.43Å; S168-L172 WeakPolarHBondContact O-CB 3.22Å; S168-L172 VanDerWaalsContact O-CG 3.3Å; S168-L172 WeakPolarHBondContact O-CG 3.42Å; S168-L172 PolarHBondContact O-N 3.29Å
169S72.1Confident69.5Low63 Ų63121.2 Ų121.244%0.44157%0.566SS.*Hα-helixtrans-68-37.3174.853.30000112.3Q165 H166 L172 R173Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 2.94Å; Q165-S169 PolarHBondContact O-OG 2.79Å; H166-S169 PolarHBondContact O-OG 3.09Å; H166-S169 VanDerWaalsContact O-OG 3.08Å; S169-L172 PolarHBondContact O-N 3.09Å; S169-R173 WeakPolarHBondContact O-CB 3.43Å; S169-R173 PolarHBondContact O-N 3.45Å
170L69.2Low67.7Low104 Ų104124.5 Ų124.555%0.54558%0.581SS.*Hα-helixtrans-64.7-36.2169.1-73.3176.7000112.8H166 V167 G174H166-L170 WeakPolarHBondContact O-CB 3.36Å; H166-L170 VanDerWaalsContact O-CG 3.27Å; H166-L170 WeakPolarHBondContact O-CG 3.27Å; H166-L170 PolarHBondContact O-N 3.24Å; V167-L170 PolarHBondContact O-N 3.31Å; L170-G174 VanDerWaalsContact O-CA 3.25Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 3Å
171S60.5Low65.9Low79 Ų79122.5 Ų122.555%0.55259%0.588SS**Hα-helixtrans-68.3-41175-176.30000112.2V167 S168 G174 K175V167-S171 VanDerWaalsContact O-CB 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.36Å; V167-S171 PolarHBondContact O-N 3.07Å; S168-S171 WeakPolarHBondContact O-CB 3.28Å; S168-S171 PolarHBondContact O-N 3.43Å; S171-G174 CarbonylContact O-C 3.57Å; S171-G174 VanDerWaalsContact O-CA 3.28Å; S171-G174 WeakPolarHBondContact O-CA 3.5Å; S171-G174 PolarHBondContact O-N 2.89Å; S171-K175 PolarHBondContact O-N 3.31Å
172L58.1Low63.8Low131 Ų131124.9 Ų124.969%0.68660%0.604SS**Hα-helixtrans-67.8-44.2176.6-71.2169.2000112.3S168 S169 G174S168-L172 WeakPolarHBondContact O-CB 3.22Å; S168-L172 VanDerWaalsContact O-CG 3.3Å; S168-L172 WeakPolarHBondContact O-CG 3.42Å; S168-L172 PolarHBondContact O-N 3.29Å; S169-L172 PolarHBondContact O-N 3.09Å; L172-G174 PolarHBondContact O-N 2.87Å
173R57.9Low61.9Low206 Ų206122.6 Ų122.678%0.77761%0.608SS**Hα-helixtrans-66.4-22.4166.6-84.2-79.2-105.9-168.9-8.5112.5S169S169-R173 WeakPolarHBondContact O-CB 3.43Å; S169-R173 PolarHBondContact O-N 3.45Å
174G53.1Low60Low14 Ų14117.6 Ų117.614%0.14461%0.605CS.*Hα-helixtrans-72.9-20.8179.800000114.1L170 S171 L172 E176 R177 S178L170-G174 VanDerWaalsContact O-CA 3.25Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 3Å; S171-G174 CarbonylContact O-C 3.57Å; S171-G174 VanDerWaalsContact O-CA 3.28Å; S171-G174 WeakPolarHBondContact O-CA 3.5Å; S171-G174 PolarHBondContact O-N 2.89Å; L172-G174 PolarHBondContact O-N 2.87Å; G174-E176 PolarHBondContact O-N 3.48Å; G174-R177 CarbonylContact O-C 3.56Å; G174-R177 PolarHBondContact O-N 3.3Å; G174-S178 WeakPolarHBondContact O-CA 3.47Å; G174-S178 WeakPolarHBondContact O-CB 3.48Å; G174-S178 PolarHBondContact O-N 3.28Å
175K48.9Very low58.7Low191 Ų191118.4 Ų118.483%0.8363%0.627SS**THydrogen-bonded Turntrans-59.7-18.6178.9-85.5-175.1171.91800114.8S171S171-K175 PolarHBondContact O-N 3.31Å
176E53.2Low57.5Low164 Ų164117.8 Ų117.877%0.76663%0.632SS**THydrogen-bonded Turntrans-95.9-19.4173-119.8-93.212300113.3G174G174-E176 PolarHBondContact O-N 3.48Å
177R52.5Low56.5Low143 Ų143115.6 Ų115.654%0.5464%0.635SS.*THydrogen-bonded Turntrans-131.47.4-170.8-58.8-166.6-178.8163.4-0.3115.6G174 R179 E180 S181G174-R177 CarbonylContact O-C 3.56Å; G174-R177 PolarHBondContact O-N 3.3Å; R177-R179 PolarHBondContact O-N 2.84Å; R177-R179 VanDerWaalsContact O-N 3.12Å; R177-E180 HydrophobicContact CB-CG 3.95Å; R177-E180 WeakPolarHBondContact CB-OE1 3.4Å; R177-E180 VanDerWaalsContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CG-OE1 3.46Å; R177-E180 IonicContact NE-OE1 3.89Å; R177-E180 WeakPolarHBondContact O-CG 3.35Å; R177-E180 PolarHBondContact O-N 2.97Å; R177-S181 PolarHBondContact O-N 3.41Å
178S44.3Very low56Low80 Ų80113.9 Ų113.956%0.55963%0.627SS**THydrogen-bonded Turntrans-69.2-10.7-177.5-1710000113.3G174G174-S178 WeakPolarHBondContact O-CA 3.47Å; G174-S178 WeakPolarHBondContact O-CB 3.48Å; G174-S178 PolarHBondContact O-N 3.28Å
179R49.8Very low55.9Low250 Ų250115.3 Ų115.394%0.94363%0.633SS**THydrogen-bonded Turntrans-82.1-12.1169.8-81.1-176.7162.3-89.3-1.1114.2R177R177-R179 PolarHBondContact O-N 2.84Å; R177-R179 VanDerWaalsContact O-N 3.12Å
180E53.2Low56Low119 Ų119117.7 Ų117.756%0.55664%0.638SS**THydrogen-bonded Turntrans-124.2-23.9-179.754.1175.3-177.500113.1R177 L182 T183R177-E180 HydrophobicContact CB-CG 3.95Å; R177-E180 WeakPolarHBondContact CB-OE1 3.4Å; R177-E180 VanDerWaalsContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CD-OE1 3.24Å; R177-E180 WeakPolarHBondContact CG-OE1 3.46Å; R177-E180 IonicContact NE-OE1 3.89Å; R177-E180 WeakPolarHBondContact O-CG 3.35Å; R177-E180 PolarHBondContact O-N 2.97Å; E180-L182 VanDerWaalsContact C-N 3.3Å; E180-L182 PolarHBondContact O-N 3.01Å; E180-T183 PolarHBondContact O-N 2.96Å; E180-T183 VanDerWaalsContact O-N 3.17Å; E180-T183 PolarHBondContact O-OG1 3.27Å
181S51.2Low56.4Low94 Ų94117.3 Ų117.366%0.65764%0.639SS**G310 helixtrans-76.4-13.5173-168.30000113.8R177 G184R177-S181 PolarHBondContact O-N 3.41Å; S181-G184 PolarHBondContact O-N 2.91Å
182L46.4Very low57.2Low159 Ų159120.2 Ų120.283%0.83264%0.642SS**G310 helixtrans-73.6-19.7167.7-154.979.4000111.6E180 G184E180-L182 VanDerWaalsContact C-N 3.3Å; E180-L182 PolarHBondContact O-N 3.01Å; L182-G184 VanDerWaalsContact C-N 3.32Å
183T48.9Very low58.2Low110 Ų110119.4 Ų119.468%0.67564%0.635SS**G310 helixtrans-94.223.6171.138.80000113E180 A185E180-T183 PolarHBondContact O-N 2.96Å; E180-T183 VanDerWaalsContact O-N 3.17Å; E180-T183 PolarHBondContact O-OG1 3.27Å; T183-A185 PolarHBondContact O-N 2.95Å
184G46.3Very low59.4Low52 Ų52117 Ų11754%0.53663%0.63SS.*  trans-62.797.3160.700000109.4S181 L182 V186S181-G184 PolarHBondContact O-N 2.91Å; L182-G184 VanDerWaalsContact C-N 3.32Å; G184-V186 VanDerWaalsContact C-N 3.35Å; G184-V186 PolarHBondContact O-N 3.49Å
185A55.8Low60.8Low103 Ų103121 Ų12185%0.85165%0.647SS**  trans-67.881.8-163.200000114T183 A187T183-A185 PolarHBondContact O-N 2.95Å; A185-A187 PolarHBondContact O-N 3.15Å
186V55.1Low62.1Low129 Ų129117.5 Ų117.578%0.78263%0.634SS**  trans-67.298.7161.5-175.10000107.1G184 S188G184-V186 VanDerWaalsContact C-N 3.35Å; G184-V186 PolarHBondContact O-N 3.49Å; V186-S188 PolarHBondContact O-N 3.02Å
187A57.2Low63.4Low74 Ų74114 Ų11461%0.61262%0.617SS**  trans-53.4124.6173.600000109.2A185 T189A185-A187 PolarHBondContact O-N 3.15Å; A187-T189 PolarHBondContact O-N 3.49Å
188S67.4Low64.8Low63 Ų63113.1 Ų113.144%0.44162%0.618SS.*  trans-43.2133.6-166.1-136.30000112.2V186 E190 V191 K192V186-S188 PolarHBondContact O-N 3.02Å; S188-E190 WeakPolarHBondContact CB-OE2 3.5Å; S188-E190 PolarHBondContact O-N 2.89Å; S188-E190 VanDerWaalsContact O-N 3.09Å; S188-E190 PolarHBondContact OG-OE2 3.43Å; S188-V191 CarbonylContact O-C 3.6Å; S188-V191 WeakPolarHBondContact O-CA 3.44Å; S188-V191 WeakPolarHBondContact O-CB 3.4Å; S188-V191 PolarHBondContact O-N 3.04Å; S188-K192 PolarHBondContact O-N 3.41Å
189T72Confident66.7Low94 Ų94114.5 Ų114.558%0.57762%0.618SS**Hα-helixtrans-53.1-36.2-177.5180000112.1A187 K192 Q193A187-T189 PolarHBondContact O-N 3.49Å; T189-K192 PolarHBondContact O-N 2.96Å; T189-Q193 VanDerWaalsContact O-CB 3.23Å; T189-Q193 WeakPolarHBondContact O-CB 3.2Å; T189-Q193 PolarHBondContact O-N 3.03Å
190E74.9Confident68Low113 Ų113107.2 Ų107.253%0.52860%0.598SS.*Hα-helixtrans-68.4-41.8178.3-4963.4-122.800110.2S188 K194S188-E190 WeakPolarHBondContact CB-OE2 3.5Å; S188-E190 PolarHBondContact O-N 2.89Å; S188-E190 VanDerWaalsContact O-N 3.09Å; S188-E190 PolarHBondContact OG-OE2 3.43Å; E190-K194 WeakPolarHBondContact O-CB 3.25Å; E190-K194 PolarHBondContact O-N 3.28Å
191V76.5Confident68.8Low95 Ų95106.5 Ų106.558%0.57660%0.598SS**Hα-helixtrans-71-41177176.10000110.8S188 K194 L195S188-V191 CarbonylContact O-C 3.6Å; S188-V191 WeakPolarHBondContact O-CA 3.44Å; S188-V191 WeakPolarHBondContact O-CB 3.4Å; S188-V191 PolarHBondContact O-N 3.04Å; V191-K194 PolarHBondContact O-N 2.86Å; V191-L195 WeakPolarHBondContact O-CB 3.38Å; V191-L195 PolarHBondContact O-N 3.14Å
192K78.4Confident69.4Low141 Ų141108.1 Ų108.161%0.61359%0.593SS**Hα-helixtrans-63.1-43.8174.7-177.2178.6176.9-178.10111.2S188 T189 L195 Q196S188-K192 PolarHBondContact O-N 3.41Å; T189-K192 PolarHBondContact O-N 2.96Å; K192-L195 PolarHBondContact O-N 3.28Å; K192-Q196 WeakPolarHBondContact O-CB 3.11Å; K192-Q196 PolarHBondContact O-N 3.49Å
193Q80Confident70Confident113 Ų113105.3 Ų105.353%0.52859%0.587SS.*Hα-helixtrans-67.1-45.6176.2-177.9172.4-20.800111.3T189 L195 Q196 E197T189-Q193 VanDerWaalsContact O-CB 3.23Å; T189-Q193 WeakPolarHBondContact O-CB 3.2Å; T189-Q193 PolarHBondContact O-N 3.03Å; Q193-L195 VanDerWaalsContact C-N 3.27Å; Q193-L195 PolarHBondContact O-N 2.9Å; Q193-Q196 CarbonylContact O-C 3.58Å; Q193-Q196 WeakPolarHBondContact O-CB 3.49Å; Q193-Q196 PolarHBondContact O-N 3.1Å; Q193-Q196 VanDerWaalsContact O-N 3.13Å; Q193-E197 HydrophobicContact CG-CG 4.4Å; Q193-E197 VanDerWaalsContact CG-OE1 3.29Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.44Å; Q193-E197 PolarHBondContact NE2-OE1 3.38Å; Q193-E197 WeakPolarHBondContact O-CB 3.24Å; Q193-E197 WeakPolarHBondContact O-CG 3.4Å; Q193-E197 PolarHBondContact O-N 2.96Å
194K81.1Confident70.4Confident156 Ų156103.9 Ų103.968%0.67859%0.586SS**Hα-helixtrans-64.6-31176.5-141.3-177.5-168.2-175.50112.5E190 V191 F198E190-K194 WeakPolarHBondContact O-CB 3.25Å; E190-K194 PolarHBondContact O-N 3.28Å; V191-K194 PolarHBondContact O-N 2.86Å; K194-F198 WeakPolarHBondContact O-CB 3.5Å; K194-F198 PolarHBondContact O-N 3.46Å
195L83Confident70.8Confident97 Ų97109.5 Ų109.551%0.50860%0.596SS.*Hα-helixtrans-70.2-41.7172.4-178.362000111.2V191 K192 Q193 F198 L199V191-L195 WeakPolarHBondContact O-CB 3.38Å; V191-L195 PolarHBondContact O-N 3.14Å; K192-L195 PolarHBondContact O-N 3.28Å; Q193-L195 VanDerWaalsContact C-N 3.27Å; Q193-L195 PolarHBondContact O-N 2.9Å; L195-F198 PolarHBondContact O-N 3.01Å; L195-L199 HydrophobicContact CD1-CD1 4.41Å; L195-L199 HydrophobicContact CD1-CG 4.42Å; L195-L199 HydrophobicContact CG-CD1 4.19Å; L195-L199 WeakPolarHBondContact O-CB 3.41Å; L195-L199 VanDerWaalsContact O-CG 3.23Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.8Å
196Q77.5Confident70Confident119 Ų119111.6 Ų111.656%0.55659%0.593SS**Hα-helixtrans-62.2-46.4173-179.3174.5-27.200111.4K192 Q193 L199 L200K192-Q196 WeakPolarHBondContact O-CB 3.11Å; K192-Q196 PolarHBondContact O-N 3.49Å; Q193-Q196 CarbonylContact O-C 3.58Å; Q193-Q196 WeakPolarHBondContact O-CB 3.49Å; Q193-Q196 PolarHBondContact O-N 3.1Å; Q193-Q196 VanDerWaalsContact O-N 3.13Å; Q196-L199 PolarHBondContact O-N 2.88Å; Q196-L200 HydrophobicContact CG-CD1 4.09Å; Q196-L200 WeakPolarHBondContact O-CB 3.28Å; Q196-L200 WeakPolarHBondContact O-CD1 3.48Å; Q196-L200 VanDerWaalsContact O-CG 3.23Å; Q196-L200 WeakPolarHBondContact O-CG 3.19Å; Q196-L200 PolarHBondContact O-N 3.37Å
197E80Confident69.7Low89 Ų89110.8 Ų110.842%0.41659%0.59SS.*Hα-helixtrans-64.5-35.5174.3-71.6170.6-169.400112.4Q193 N201Q193-E197 HydrophobicContact CG-CG 4.4Å; Q193-E197 VanDerWaalsContact CG-OE1 3.29Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.44Å; Q193-E197 PolarHBondContact NE2-OE1 3.38Å; Q193-E197 WeakPolarHBondContact O-CB 3.24Å; Q193-E197 WeakPolarHBondContact O-CG 3.4Å; Q193-E197 PolarHBondContact O-N 2.96Å; E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 PolarHBondContact O-N 2.88Å
198F80.8Confident69.1Low125 Ų125113.7 Ų113.755%0.54860%0.6SS.*Hα-helixtrans-70.8-40.5175.8-179.9-103.7000112.2K194 L195 N201 K202K194-F198 WeakPolarHBondContact O-CB 3.5Å; K194-F198 PolarHBondContact O-N 3.46Å; L195-F198 PolarHBondContact O-N 3.01Å; F198-N201 PolarHBondContact O-N 3.4Å; F198-K202 HydrophobicContact CD1-CD 4.39Å; F198-K202 HydrophobicContact CD1-CG 4.42Å; F198-K202 HydrophobicContact CE1-CD 3.73Å; F198-K202 HydrophobicContact CE1-CG 4.08Å; F198-K202 HydrophobicContact CE2-CG 4.31Å; F198-K202 HydrophobicContact CZ-CD 3.87Å; F198-K202 HydrophobicContact CZ-CG 4.02Å; F198-K202 VanDerWaalsContact O-CB 3.27Å; F198-K202 WeakPolarHBondContact O-CB 3.14Å; F198-K202 WeakPolarHBondContact O-CG 3.4Å; F198-K202 PolarHBondContact O-N 3.18Å
199L84.2Confident67.7Low109 Ų109117.1 Ų117.157%0.57162%0.618SS**Hα-helixtrans-64.1-43173.5-71.8166.9000111.2L195 Q196 S203L195-L199 HydrophobicContact CD1-CD1 4.41Å; L195-L199 HydrophobicContact CD1-CG 4.42Å; L195-L199 HydrophobicContact CG-CD1 4.19Å; L195-L199 WeakPolarHBondContact O-CB 3.41Å; L195-L199 VanDerWaalsContact O-CG 3.23Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.8Å; Q196-L199 PolarHBondContact O-N 2.88Å; L199-S203 PolarHBondContact O-N 3.3Å
200L77.5Confident66.2Low97 Ų97121 Ų12151%0.50864%0.635SS.*Hα-helixtrans-64.9-47.3174.6-70167000111.8Q196 K202 S203 A204Q196-L200 HydrophobicContact CG-CD1 4.09Å; Q196-L200 WeakPolarHBondContact O-CB 3.28Å; Q196-L200 WeakPolarHBondContact O-CD1 3.48Å; Q196-L200 VanDerWaalsContact O-CG 3.23Å; Q196-L200 WeakPolarHBondContact O-CG 3.19Å; Q196-L200 PolarHBondContact O-N 3.37Å; L200-K202 PolarHBondContact O-N 2.95Å; L200-S203 PolarHBondContact O-N 3.38Å; L200-S203 VanDerWaalsContact O-N 3.07Å; L200-S203 PolarHBondContact O-OG 3.35Å; L200-A204 PolarHBondContact O-N 3.06Å
201N69.9Low64.5Low105 Ų105118.4 Ų118.456%0.56164%0.639SS**Hα-helixtrans-67-35.2178.3-79.3-10.6000112.8E197 F198 S203 A204 K205E197-N201 WeakPolarHBondContact O-CB 3.44Å; E197-N201 PolarHBondContact O-N 2.88Å; F198-N201 PolarHBondContact O-N 3.4Å; N201-S203 PolarHBondContact O-N 3.01Å; N201-A204 CarbonylContact O-C 3.59Å; N201-A204 PolarHBondContact O-N 3.26Å; N201-K205 WeakPolarHBondContact O-CB 3.42Å; N201-K205 PolarHBondContact O-N 3.08Å; N201-K205 VanDerWaalsContact O-N 3.14Å
202K64.6Low63.2Low128 Ų128118.9 Ų118.956%0.55765%0.653SS**Hα-helixtrans-60.1-34.3169.9-87.5-156.373.7-160.90112.3F198 L200 A204F198-K202 HydrophobicContact CD1-CD 4.39Å; F198-K202 HydrophobicContact CD1-CG 4.42Å; F198-K202 HydrophobicContact CE1-CD 3.73Å; F198-K202 HydrophobicContact CE1-CG 4.08Å; F198-K202 HydrophobicContact CE2-CG 4.31Å; F198-K202 HydrophobicContact CZ-CD 3.87Å; F198-K202 HydrophobicContact CZ-CG 4.02Å; F198-K202 VanDerWaalsContact O-CB 3.27Å; F198-K202 WeakPolarHBondContact O-CB 3.14Å; F198-K202 WeakPolarHBondContact O-CG 3.4Å; F198-K202 PolarHBondContact O-N 3.18Å; L200-K202 PolarHBondContact O-N 2.95Å; K202-A204 PolarHBondContact O-N 2.95Å
203S57.8Low61.1Low100 Ų100119.4 Ų119.470%0.69966%0.663SS**THydrogen-bonded Turntrans-75.9-10.2175.475.10000114.1L199 L200 N201L199-S203 PolarHBondContact O-N 3.3Å; L200-S203 PolarHBondContact O-N 3.38Å; L200-S203 VanDerWaalsContact O-N 3.07Å; L200-S203 PolarHBondContact O-OG 3.35Å; N201-S203 PolarHBondContact O-N 3.01Å
204A57.6Low59.1Low80 Ų80121.8 Ų121.866%0.66167%0.674SS**THydrogen-bonded Turntrans-122.85-169.900000114.7L200 N201 K202L200-A204 PolarHBondContact O-N 3.06Å; N201-A204 CarbonylContact O-C 3.59Å; N201-A204 PolarHBondContact O-N 3.26Å; K202-A204 PolarHBondContact O-N 2.95Å
205K55.2Low57.1Low170 Ų170119 Ų11974%0.73967%0.67SS**SBendtrans-142.538.1-169.5-146.3179.4-177.6-179.60116.6N201N201-K205 WeakPolarHBondContact O-CB 3.42Å; N201-K205 PolarHBondContact O-N 3.08Å; N201-K205 VanDerWaalsContact O-N 3.14Å
206D40.3Very low55.1Low147 Ų147123.3 Ų123.379%0.78669%0.685SS**  trans-131.192.1166.3-83.9-49.8000111.6
207P47.6Very low53.2Low111 Ų111124.1 Ų124.172%0.72169%0.691SS**  trans-96.4123.1163.333.4-26.8000111.3
208V45.3Very low51.3Low135 Ų135127.3 Ų127.382%0.81871%0.706SS**  trans66.6102.3170.5-168.30000114.2
209T37.8Very low49.4Very low135 Ų135129.2 Ų129.283%0.82872%0.717SS**  -152.7159.787.126.20000112.7
210N39.5Very low47.5Very low175 Ų175130.1 Ų130.194%0.93673%0.729SS**  trans-75.7138-175.3-63.2-42.9000112.8
211G39.1Very low46.1Very low60 Ų60134.4 Ų134.462%0.61974%0.744SS**  trans171.959.3176.200000116.1N213G211-N213 PolarHBondContact O-N 3.17Å; G211-N213 PolarHBondContact O-ND2 3.31Å
212A50.1Low44.9Very low105 Ų105136.5 Ų136.587%0.86875%0.754SS**  trans-32.2118.4-174.400000116.9
213N34.6Very low43.5Very low151 Ų151142.2 Ų142.281%0.80777%0.772SS**  trans-149.1129.8176.1-89.5-77.6000114.8G211G211-N213 PolarHBondContact O-N 3.17Å; G211-N213 PolarHBondContact O-ND2 3.31Å
214H37.5Very low42.7Very low164 Ų164147.5 Ų147.576%0.75978%0.778SS**  trans36.8113.6143-114.3-80.7000124.2
215T39.3Very low41.8Very low97 Ų97150.7 Ų150.760%0.59579%0.79SS**  trans69.3138.913541.50000126.5
216F41.4Very low40.9Very low188 Ų188147.4 Ų147.483%0.82579%0.788SS**  trans77.5135.1136.7-83.6-54.6000124.3
217I38.3Very low40.4Very low136 Ų136145.5 Ų145.570%0.69779%0.786SS**  trans80.1101.1148.4-65.9167.4000120.2
218Q39.8Very low39.8Very low156 Ų156147 Ų14773%0.72978%0.783SS**  48.6158.1129.3-57.9-173.5-26.300124.4
219H39.3Very low39.4Very low165 Ų165148.6 Ų148.676%0.76478%0.781SS**  trans74.8161.9161.4-73-73.6000117.8
220P46.3Very low39.3Very low128 Ų128146.9 Ų146.983%0.83178%0.781SS**  cis-126.3-155.8-15.927.8-4.5000114
221K47.4Very low39.1Very low187 Ų187143.8 Ų143.881%0.81377%0.773SS**  trans-98.5169.6-166.4-110.2174.7-179.2173.60114.6
222L43.6Very low39Very low149 Ų149147.9 Ų147.978%0.7878%0.78SS**  trans77.2162.9166.5-63.3157.8000113.8
223W36.3Very low38.2Very low248 Ų248148.4 Ų148.494%0.93977%0.768SS**  cis-136.8-168.433.6-80.468.4000115.1
224Y40Very low38.3Very low211 Ų211148.6 Ų148.683%0.82777%0.765SS**  trans-130.9121.3-160.5-175.8-81.5000110.7
225T39.7Very low37.9Very low147 Ų147146.2 Ų146.290%0.90277%0.766SS**  trans-143.9158.816945.70000111.4
226S36.2Very low37.5Very low100 Ų100147 Ų14770%0.69978%0.775SS**  trans-119.5146.4-176.1179.40000110.6
227S29.1Very low38.5Very low108 Ų108143.6 Ų143.676%0.75577%0.773SS**  trans-164.1157.4132-157.20000112.6
228H34.7Very low39.1Very low142 Ų142142.2 Ų142.266%0.65777%0.772SS**  trans-86.1-177.9-162.4-56.1-118.4000115.4
229H38.3Very low39Very low168 Ų168143 Ų14378%0.77878%0.78SS**  trans94.8135.4148.6-48.4-63.3000120.3
230A34.4Very low38.6Very low100 Ų100139.3 Ų139.383%0.82679%0.788SS**  trans63.6162.7146.600000119.2
231S35Very low38Very low109 Ų109136.3 Ų136.376%0.76278%0.779SS**  cis-167.2163-36.6-169.20000108.5
232L38.1Very low37.3Very low146 Ų146134.4 Ų134.476%0.76478%0.784SS**  trans74146.4151.4-14867.8000120.2
233D34.2Very low36.9Very low117 Ų117132.8 Ų132.863%0.62679%0.785SS**  trans81.9119.3149.5-90.58.4000126
234Q35.3Very low37.3Very low155 Ų155126.5 Ų126.572%0.72478%0.776SS**  trans76.4104.6132.7-68.1-174.169.900123.5
235S29.4Very low36.7Very low113 Ų113122.4 Ų122.479%0.7977%0.773SS**  84.1163.7129.976.20000120.9
236S31.1Very low36Very low113 Ų113120.8 Ų120.879%0.7977%0.767SS**  trans-164.3179.5-165.4-49.70000109.9
237P61.8Low35.8Very low118 Ų118125 Ų12577%0.76678%0.776SS**  cis-109.8-92.3-13.323.9-0.7000112.4
238P51.7Low35.7Very low107 Ų107128.9 Ų128.970%0.69578%0.775SS**  cis-121.5142.8-11.736.4-18.2000117.5
239L37.8Very low35.6Very low171 Ų171128.5 Ų128.590%0.89578%0.783SS**  trans46.9117.7139-57.1175.9000124.3
240G31.5Very low35.7Very low89 Ų89126.4 Ų126.492%0.91878%0.777SS**  trans95.2141.6142.400000118
241G32.6Very low36.4Very low64 Ų64127.5 Ų127.566%0.6678%0.775SS**  cis174.1150.9-10.500000114.3
242T33.3Very low36.5Very low148 Ų148127.2 Ų127.291%0.90877%0.773SS**  trans68159.7167.666.60000120.3
243S33.6Very low37.1Very low114 Ų114125.4 Ų125.480%0.79777%0.77SS**  trans-138.8161.6172.5-46.40000108
244P45.2Very low37Very low117 Ų117126.6 Ų126.676%0.7678%0.775SS**  -159.9174.18942.6-22.6000118.5
245T27.5Very low36.8Very low125 Ų125127 Ų12777%0.76778%0.777SS**  trans57.5110.5147.2-54.80000123.2
246C25.3Very low36.9Very low113 Ų113126.7 Ų126.776%0.76478%0.775SS**  trans15.4135.2140.4-530000122.8
247Q31.1Very low37Very low189 Ų189130.4 Ų130.488%0.88378%0.777SS**  -152.5171.8105-101.1-55.5-0.900112.5
248Y27.7Very low35.9Very low188 Ų188131.1 Ų131.174%0.73777%0.774SS**  trans-114.1132.4-165.6168.1-85.7000114.4
249T33.3Very low35.7Very low134 Ų134133.1 Ų133.182%0.82278%0.779SS**  trans-157.8146.1146.7-28.10000111.4
250L40.8Very low35.8Very low125 Ų125132.9 Ų132.965%0.65477%0.771SS**  trans-145.5150.5171.5-110.7172.2000106.9
251P48.6Very low37Very low123 Ų123133.6 Ų133.680%0.79976%0.76SS**  -142.6170.577.535.8-17.1000116.8
252S37.2Very low38Very low102 Ų102138.4 Ų138.471%0.71377%0.769SS**  trans-81.2-178.9169.8-123.50000110.9
253P50Low38.9Very low109 Ų109142.3 Ų142.371%0.70877%0.767SS**  cis-144.7174.427.542.5-22.4000119.2
254I32.1Very low39.8Very low141 Ų141146.8 Ų146.872%0.72377%0.772SS**  trans130.5125.9132.7-140.868.1000117.4
255E31.1Very low39.7Very low163 Ų163147.5 Ų147.576%0.76278%0.775SS**  trans23126.2162.6-70.5172.712300126
256S31.4Very low40.8Very low107 Ų107146.9 Ų146.975%0.74878%0.782SS**  trans73.8111.2131.172.10000121.3
257K33.5Very low41.9Very low191 Ų191146 Ų14683%0.8378%0.778SS**  -165.4161.5120.9-108-75.7152.7-165.50111.2
258D38.7Very low43Very low133 Ų133143.7 Ų143.771%0.71177%0.767SS**  trans-71.5137.6-170.6-49.7-94.8000114
259D46.8Very low44.3Very low150 Ų150140.2 Ų140.280%0.80277%0.767SS**  -154.4153.4120.5-166.418.6000110.2
260F39.9Very low45.3Very low166 Ų166138.1 Ų138.173%0.72875%0.751SS**  trans-138.8127.7177.5-110-65.2000109.6
261P56.9Low46Very low104 Ų104138.8 Ų138.868%0.67575%0.754SS**  -136.1175.199.237.9-29000114.7
262L53.2Low46.5Very low164 Ų164141.3 Ų141.386%0.85975%0.753SS**  trans74.995.5174.4-52.3-179.2000116.8
263R53.9Low47.7Very low231 Ų231141 Ų14187%0.87275%0.747SS**  trans-66.7134.8168.4-37163-164.7159.74.9110.1
264K51.2Low48.1Very low207 Ų207145.6 Ų145.690%0.975%0.75SS**  trans-157.6128.1130.4-77.5-144.8177.5179.70111.6A266K264-A266 PolarHBondContact O-N 2.85Å
265T43Very low49.5Very low133 Ų133142.3 Ų142.382%0.81674%0.739SS**  trans-78.6111.9175470000111.1S267T265-S267 VanDerWaalsContact C-N 3.33Å; T265-S267 PolarHBondContact O-N 3.38Å
266A51.9Low51Low112 Ų112143.8 Ų143.893%0.92674%0.738SS**  trans-9351.117600000112.6K264K264-A266 PolarHBondContact O-N 2.85Å
267S48.1Very low52.5Low95 Ų95144 Ų14466%0.66473%0.73SS**  trans-93.9111.8-17954.90000112.6T265T265-S267 VanDerWaalsContact C-N 3.33Å; T265-S267 PolarHBondContact O-N 3.38Å
268E54.8Low54Low139 Ų139143.1 Ų143.165%0.6573%0.726SS**  trans66.3133.3163.9-69-159.5-14300121.8
269P53.3Low55.4Low115 Ų115142.9 Ų142.975%0.74772%0.721SS**  trans-122.23215038.9-29.3000114.2
270N55.6Low56.3Low90 Ų90141.9 Ų141.948%0.48171%0.709SS.*THydrogen-bonded Turntrans-82.4-11.9-169.6-91.5-55.8000117.1K272 V273N270-K272 VanDerWaalsContact C-N 3.3Å; N270-K272 PolarHBondContact O-N 2.95Å; N270-V273 PolarHBondContact O-N 2.82Å
271L55.4Low57.5Low139 Ų139137.5 Ų137.573%0.72870%0.696SS**Hα-helixtrans-61.4-34-179.1-74.1106.9000113.8V273 S275L271-V273 PolarHBondContact O-N 3.4Å; L271-S275 VanDerWaalsContact O-CB 3.28Å; L271-S275 WeakPolarHBondContact O-CB 3.45Å; L271-S275 PolarHBondContact O-N 3.44Å; L271-S275 VanDerWaalsContact O-N 3.08Å
272K59.7Low57.7Low177 Ų177135.6 Ų135.677%0.7769%0.689SS**Hα-helixtrans-67.9-32-176.9-73.4177.5178.3172.70113.2N270 R276N270-K272 VanDerWaalsContact C-N 3.3Å; N270-K272 PolarHBondContact O-N 2.95Å; K272-R276 PolarHBondContact O-N 2.83Å; K272-R276 VanDerWaalsContact O-N 3.07Å
273V61.1Low58.1Low96 Ų96134.1 Ų134.158%0.58268%0.678SS**Hα-helixtrans-75.3-48.2-179.3-176.80000110.8N270 L271 S275 R276 L277N270-V273 PolarHBondContact O-N 2.82Å; L271-V273 PolarHBondContact O-N 3.4Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 2.69Å; V273-R276 PolarHBondContact O-N 2.74Å; V273-L277 WeakPolarHBondContact O-CB 3.34Å; V273-L277 PolarHBondContact O-N 2.89Å
274R58.4Low58.5Low204 Ų204133.1 Ų133.177%0.7767%0.674SS**Hα-helixtrans-61.5-37.2176.3-66.9174.278176.73.6111.6K278R274-K278 PolarHBondContact O-N 3.39Å; R274-K278 VanDerWaalsContact O-N 3.07Å
275S61.6Low58.9Low72 Ų72133.1 Ų133.150%0.50367%0.668SS.*Hα-helixtrans-62.2-56.3173.3178.90000112.5L271 V273 L277 K278 Q279L271-S275 VanDerWaalsContact O-CB 3.28Å; L271-S275 WeakPolarHBondContact O-CB 3.45Å; L271-S275 PolarHBondContact O-N 3.44Å; L271-S275 VanDerWaalsContact O-N 3.08Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 2.69Å; S275-L277 VanDerWaalsContact C-N 3.26Å; S275-L277 PolarHBondContact O-N 3.44Å; S275-K278 PolarHBondContact O-N 2.93Å; S275-K278 VanDerWaalsContact O-N 3.17Å; S275-Q279 PolarHBondContact O-N 2.87Å
276R63.7Low59.4Low194 Ų194130.9 Ų130.973%0.73266%0.658SS**Hα-helixtrans-60.8-32.1178-87.2-169.2166.5-167.9-3.4113.4K272 V273 K280K272-R276 PolarHBondContact O-N 2.83Å; K272-R276 VanDerWaalsContact O-N 3.07Å; V273-R276 PolarHBondContact O-N 2.74Å; R276-K280 WeakPolarHBondContact O-CB 3.3Å; R276-K280 PolarHBondContact O-N 2.89Å
277L61.3Low58.9Low111 Ų111129.8 Ų129.858%0.58164%0.644SS**Hα-helixtrans-67.2-47.1175.1-174.359.8000111.5V273 S275 Q279 K280 V281V273-L277 WeakPolarHBondContact O-CB 3.34Å; V273-L277 PolarHBondContact O-N 2.89Å; S275-L277 VanDerWaalsContact C-N 3.26Å; S275-L277 PolarHBondContact O-N 3.44Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.44Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-V281 VanDerWaalsContact O-CG2 3.29Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.02Å
278K65.2Low59.3Low174 Ų174130.8 Ų130.876%0.75765%0.648SS**Hα-helixtrans-60.2-42.5173.3-101.7-161.3171.1-168.60112.1R274 S275 K280 V281 A282R274-K278 PolarHBondContact O-N 3.39Å; R274-K278 VanDerWaalsContact O-N 3.07Å; S275-K278 PolarHBondContact O-N 2.93Å; S275-K278 VanDerWaalsContact O-N 3.17Å; K278-K280 PolarHBondContact O-N 3.35Å; K278-V281 PolarHBondContact O-N 3.01Å; K278-A282 PolarHBondContact O-N 3.36Å
279Q68Low59.1Low127 Ų127131.3 Ų131.359%0.59365%0.652SS**Hα-helixtrans-58.3-49.6178.1-171.1176.7800111.7S275 L277 V281 A282 E283S275-Q279 PolarHBondContact O-N 2.87Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.44Å; Q279-V281 VanDerWaalsContact C-N 3.29Å; Q279-V281 PolarHBondContact O-N 3.35Å; Q279-A282 PolarHBondContact O-N 3.1Å; Q279-E283 WeakPolarHBondContact O-CB 3.19Å; Q279-E283 PolarHBondContact O-N 3.29Å
280K66.8Low58.9Low129 Ų129133.3 Ų133.356%0.56166%0.656SS**Hα-helixtrans-71.1-21.2-179.9-162.5167.466.5174.50113.6R276 L277 K278 R284R276-K280 WeakPolarHBondContact O-CB 3.3Å; R276-K280 PolarHBondContact O-N 2.89Å; L277-K280 PolarHBondContact O-N 2.93Å; K278-K280 PolarHBondContact O-N 3.35Å; K280-R284 PolarHBondContact O-N 3.05Å
281V63.9Low58.9Low75 Ų75136.6 Ų136.646%0.45567%0.665SS.*Hα-helixtrans-76.9-35.4171.1168.40000111.9L277 K278 Q279 R285L277-V281 VanDerWaalsContact O-CG2 3.29Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.02Å; K278-V281 PolarHBondContact O-N 3.01Å; Q279-V281 VanDerWaalsContact C-N 3.29Å; Q279-V281 PolarHBondContact O-N 3.35Å; V281-R285 WeakPolarHBondContact O-CG 3.43Å
282A61.1Low59.3Low63 Ų63141.2 Ų141.252%0.52167%0.673SS.*Hα-helixtrans-69.7-48.2173.200000111.5K278 Q279 R284 R285 S286K278-A282 PolarHBondContact O-N 3.36Å; Q279-A282 PolarHBondContact O-N 3.1Å; A282-R284 PolarHBondContact O-N 3.21Å; A282-R285 PolarHBondContact O-N 3.49Å; A282-S286 PolarHBondContact O-N 2.96Å; A282-S286 VanDerWaalsContact O-N 3.16Å
283E62Low58.8Low133 Ų133143.3 Ų143.362%0.62168%0.676SS**Hα-helixtrans-53.9-36.5178.9-176.7-178.5-156.800113.2Q279 S286Q279-E283 WeakPolarHBondContact O-CB 3.19Å; Q279-E283 PolarHBondContact O-N 3.29Å; E283-S286 PolarHBondContact O-OG 3.24Å
284R61.7Low57.8Low211 Ų211144.4 Ų144.480%0.79668%0.679SS**THydrogen-bonded Turntrans-87.74.9176.8-73.5-163.8168.1-152.1-4.3115.2K280 A282K280-R284 PolarHBondContact O-N 3.05Å; A282-R284 PolarHBondContact O-N 3.21Å
285R60.7Low56.8Low207 Ų207138.4 Ų138.478%0.78168%0.681SS**THydrogen-bonded Turntrans-119.2-10.3176.7-64-178102.2137.93.5113.7V281 A282 S287V281-R285 WeakPolarHBondContact O-CG 3.43Å; A282-R285 PolarHBondContact O-N 3.49Å; R285-S287 PolarHBondContact O-N 3.24Å
286S53.8Low55.6Low86 Ų86141.6 Ų141.660%0.60169%0.692SS**SBendtrans-75.793.5153.748.20000109.4A282 E283A282-S286 PolarHBondContact O-N 2.96Å; A282-S286 VanDerWaalsContact O-N 3.16Å; E283-S286 PolarHBondContact O-OG 3.24Å
287S41.8Very low54.4Low89 Ų89139 Ų13962%0.62269%0.691SS**  trans-61.9129.2-162.9-59.10000115.6R285R285-S287 PolarHBondContact O-N 3.24Å
288P56.6Low53.3Low116 Ų116139.5 Ų139.575%0.75369%0.694SS**SBendtrans-74.8133.4163.231.2-32.5000110.9
289M49.1Very low51.8Low150 Ų150137.5 Ų137.574%0.73970%0.696SS**  trans5867.2168.7-58.4-161.577.600118.3
290L49.3Very low51.3Low157 Ų157137.6 Ų137.682%0.82271%0.707SS**  -85.8117.9128.7-83.874.6000105.8
291K55Low49.5Very low158 Ų158140.4 Ų140.469%0.68772%0.716SS**  cis73.986.936.7-67.6-167174.3-177.20116
292R64.2Low48Very low237 Ų237145.1 Ų145.189%0.89473%0.73SS**  trans53.5118.4134.4-49.9-169.5-47.1159.511.4119.7
293R48.6Very low46.9Very low221 Ų221149 Ų14983%0.83474%0.735SS**  trans-163.1110.3156-156.1-117.1-168.8-116.910.6104.8
294D41Very low45.7Very low118 Ų118153.2 Ų153.263%0.63175%0.746SS**  cis-128.7164.50.7-64.4-73000108.9
295G38.3Very low44.2Very low79 Ų79147.6 Ų147.681%0.81474%0.744SS**  77.5117.770.200000110.5
296N34.8Very low42.9Very low138 Ų138145.3 Ų145.374%0.73875%0.747SS**  cis-147.8154.68.6-160.922.5000107.2
297I39.3Very low41.8Very low140 Ų140148.6 Ų148.672%0.71875%0.753SS**  -156.4129.162.2-75.8174.1000111.4
298I37.9Very low41.5Very low122 Ų122151.2 Ų151.263%0.62676%0.758SS**  trans28.5113.1135.3-46177000117.3
299T34.7Very low40.7Very low131 Ų131154 Ų15480%0.80476%0.763SS**  83.1149.353.469.20000116.7
300P56.5Low39.6Very low129 Ų129153.3 Ų153.384%0.83876%0.763SS**  trans-120.4171.1-148.443.2-33.4000118.4
301Y29.2Very low38.5Very low188 Ų188151 Ų15174%0.73776%0.76SS**  trans-144.3137.5172.9-164.8-85.4000108.1
302K31.5Very low37.2Very low175 Ų175148 Ų14876%0.76176%0.764SS**  cis114.914010.5-162.6-179.8-176.4175.90112.5
303K39.2Very low35.6Very low143 Ų143141.8 Ų141.862%0.62275%0.754SS**  trans80.5124170.9-66.2-171.1173.4-179.30120.4
304R36.9Very low34.6Very low222 Ų222137.3 Ų137.384%0.83875%0.752SS**  trans64134.8152.8-61.2-179-64.4-174.94.4116.7
305A30.4Very low34.1Very low93 Ų93138.4 Ų138.477%0.76976%0.758SS**  cis8189.126.400000115.5
306L33.4Very low33.9Very low159 Ų159139.8 Ų139.883%0.83276%0.755SS**  trans-157.9134131.8-151.367000110.7
307E30.6Very low34Very low155 Ų155137.6 Ų137.672%0.72476%0.756SS**  trans16.7164.7156.1-62.9-179-167.300125.4
308I34.1Very low34.3Very low145 Ų145134.4 Ų134.474%0.74474%0.744SS**  trans70.7108.8169.7-51.9116.9000113.7
309M40.8Very low34.2Very low174 Ų174131.7 Ų131.786%0.85775%0.746SS**  cis-141.6124.617.9-171.4150.151.100112.4
310D24.8Very low34.5Very low136 Ų136128.7 Ų128.773%0.72773%0.731SS**  trans-69.2166.6173.1-50.5-90.1000111.4
311S27.6Very low34.1Very low109 Ų109124 Ų12476%0.76271%0.706SS**  cis-153.615018.5-40.40000113.2
312A27.3Very low34.8Very low94 Ų94119.8 Ų119.878%0.77770%0.702SS**  trans64.9177.2147.600000116.9
313P30.8Very low34.9Very low106 Ų106116.7 Ų116.769%0.68870%0.702SS**  -135.3160.9-95.638.8-20.7000116.5
314T28.2Very low34.8Very low128 Ų128115.5 Ų115.579%0.78571%0.712SS**  trans69.4163.5170.684.80000114.6
315N29.9Very low35.1Very low141 Ų141110.7 Ų110.775%0.75471%0.709SS**  cis-147.4-179.32.2-146.4-28.7000112.1
316S33.8Very low35.2Very low108 Ų108114.5 Ų114.576%0.75572%0.715SS**  trans-61.9157.6177.5-48.70000114.2
317A37.1Very low35Very low91 Ų91110.1 Ų110.175%0.75271%0.708SS**  trans-57.3166.5163.500000112.2
318P45.6Very low35Very low73 Ų73107.2 Ų107.247%0.47471%0.711SS.*  cis-150.7121.526.837.9-13.7000119.8N491P318-N491 WeakPolarHBondContact O-CB 3.2Å; P318-N491 PolarHBondContact O-ND2 3.41Å
319G35.6Very low34.9Very low65 Ų65105.6 Ų105.667%0.6771%0.712SS**  trans66.2-16013200000122.7N491G319-N491 WeakPolarHBondContact O-CB 3.32Å
320S41.4Very low34.5Very low69 Ų69102.8 Ų102.848%0.48371%0.71SS.*  trans90-175.9167.513.10000116.2Q490 N491 A494S320-Q490 CarbonylContact C-O 3.43Å; S320-Q490 WeakPolarHBondContact CA-O 3.41Å; S320-N491 VanDerWaalsContact CB-OD1 3.25Å; S320-N491 WeakPolarHBondContact CB-OD1 3.39Å; S320-N491 PolarHBondContact OG-OD1 2.75Å; S320-N491 VanDerWaalsContact OG-OD1 3.09Å; S320-A494 WeakPolarHBondContact OG-CB 3.45Å
321G47.3Very low34.9Very low31 Ų31100.9 Ų100.932%0.3271%0.713SS.*  trans-141.1-169-172.800000114.1Q490G321-Q490 PolarHBondContact N-O 2.87Å; G321-Q490 CarbonylContact O-C 3.49Å; G321-Q490 VanDerWaalsContact O-CA 3.32Å; G321-Q490 WeakPolarHBondContact O-CA 3.46Å; G321-Q490 WeakPolarHBondContact O-CB 3.46Å; G321-Q490 WeakPolarHBondContact O-CG 3.45Å
322P45Very low35.4Very low99 Ų99103.5 Ų103.564%0.64372%0.718SS**  -147.4164.582.639.6-23.8000116.4
323S32.2Very low35.6Very low109 Ų109101.9 Ų101.976%0.76271%0.71SS**  trans60.490.2153.9-56.80000119.5
324S39Very low35.7Very low119 Ų119101.4 Ų101.483%0.83272%0.715SS**  33.1155.1113.4-44.70000122
325P42.6Very low36Very low120 Ų120103.2 Ų103.278%0.77972%0.715SS**  cis-129.2148.4-6.237.7-21.6000115.2
326I31.7Very low36.3Very low173 Ų173103.6 Ų103.689%0.88772%0.716SS**  trans-143.7141.4162.5-57.8-179.5000107
327G29.2Very low36.1Very low68 Ų68101.7 Ų101.770%0.70171%0.714SS**  cis146.565.7-2.900000113.8
328A30.9Very low36.4Very low94 Ų94103.4 Ų103.478%0.77772%0.717SS**  trans-151.8132.1164.300000107.6
329S31.9Very low35.6Very low110 Ų110105.2 Ų105.277%0.76973%0.732SS**  cis88.3133.119.5-47.30000115.3
330S32.3Very low35.2Very low116 Ų116106.1 Ų106.181%0.81173%0.728SS**  trans66144.1-176.4-63.60000115.2
331A33.4Very low35Very low95 Ų95109.3 Ų109.379%0.78574%0.739SS**SBendcis-122.4146.413.500000111.2
332L38Very low34.7Very low165 Ų165112 Ų11286%0.86475%0.751SS**SBendcis-150.2159.8-11.7-86.1167000105.9
333G31.6Very low34.1Very low60 Ų60112.3 Ų112.362%0.61975%0.751SS**  cis172172.4-2.400000110.1
334A32.4Very low34.1Very low96 Ų96113.5 Ų113.579%0.79375%0.754SS**  trans62.5149.8173.300000117.9
335E34.5Very low33.8Very low166 Ų166113.6 Ų113.678%0.77675%0.75SS**  cis-158.5153.1-25.454.5-168.8106.200111
336N36.5Very low33.4Very low148 Ų148116.8 Ų116.879%0.79175%0.751SS**  trans32129.2159.4-56.1-50.6000121.9
337G29.2Very low33.3Very low69 Ų69114.9 Ų114.971%0.71175%0.748SS**  trans-83.7-160.2152.300000112
338P45.1Very low33.6Very low126 Ų126117.4 Ų117.482%0.81874%0.741SS**  cis-138179.67.643.5-26.4000116
339S28.9Very low33.6Very low111 Ų111121.4 Ų121.478%0.77674%0.736SS**  trans40116.2141.3173.60000121.4
340S26.9Very low33.7Very low84 Ų84126.3 Ų126.359%0.58774%0.738SS**  -171.5149.2111.452.80000115.2Q86Q86-S340 PolarHBondContact NE2-O 2.86Å
341L36.7Very low34.4Very low137 Ų137125.9 Ų125.972%0.71773%0.732SS**  trans-84.1159.3161.2-88.3157.9000110.2
342P41.9Very low34.3Very low87 Ų87126.6 Ų126.657%0.56573%0.732SS**  -147.1-175.596.338.3-20.4000116.4
343T30.8Very low34Very low105 Ų105127.2 Ų127.264%0.64473%0.73SS**  trans-123.4158.3-168.852.50000113.4
344T33Very low34.4Very low134 Ų134129.2 Ų129.282%0.82273%0.732SS**  trans-171.6149.5142.121.90000110.3
345T33.5Very low34.3Very low122 Ų122134.9 Ų134.975%0.74873%0.733SS**  cis82.812812.4-30.70000114.1
346K34.1Very low34.3Very low187 Ų187133.7 Ų133.781%0.81373%0.731SS**  cis-151.6168.546.6-62.2166.2169.3179.70114.3
347T28.6Very low34.1Very low133 Ų133136.1 Ų136.182%0.81674%0.735SS**  trans-165144.5147.2-119.30000110.5
348E34.7Very low34.2Very low120 Ų120143.7 Ų143.756%0.56174%0.742SS**  cis-147.6-95.7-27.8-120.4-60.65600113.2
349R32.5Very low34.3Very low179 Ų179142.6 Ų142.668%0.67574%0.735SS**  -143125.4-129.5-176173-73.3-124.71.4121.8
350W32.8Very low34.6Very low212 Ų212146.1 Ų146.180%0.80374%0.739SS**  trans70162.2145.9-70.9150.9000122.6
351P48.2Very low34.9Very low107 Ų107145.5 Ų145.570%0.69575%0.746SS**  cis-139.716720.642.9-24.3000122.4
352S30.1Very low35Very low110 Ų110143.9 Ų143.977%0.76975%0.747SS**  trans70.2138.8149.650.70000122.9
353Q32.5Very low34.7Very low179 Ų179146.5 Ų146.584%0.83676%0.761SS**  trans-106.4-178.7168.6-60.4-173-12.300111.5
354P39.2Very low35.3Very low101 Ų101146.5 Ų146.566%0.65677%0.765SS**  -153146.692.237.6-19.5000118.4
355R31.5Very low35.5Very low216 Ų216146.5 Ų146.582%0.81576%0.757SS**  trans66.6158.9152.3-70.8179.9-77.1176.5-5.5118.1
356L33.9Very low36Very low140 Ų140146.8 Ų146.873%0.73375%0.753SS**  cis-166.4164.4-28.9-171.364.6000108.3
357F32.3Very low36.2Very low199 Ų199142.9 Ų142.987%0.87375%0.749SS**  trans83.8161169.4-81.1-79.1000121.3
358R30.7Very low37Very low228 Ų228143.5 Ų143.586%0.8675%0.747SS**  trans-132.2177.5-176.1-121.8-167.9-154.1161.36.5106.4
359P46.5Very low37.1Very low104 Ų104148.4 Ų148.468%0.67576%0.762SS**  cis-137.3-179.80.541.6-24000116.3
360E36.2Very low37.4Very low184 Ų184146 Ų14686%0.8677%0.768SS**  trans64.9148.2156.8-86.7-59.9158.300121.4
361G32.6Very low37.4Very low71 Ų71140.7 Ų140.773%0.73276%0.763SS**  trans150.273.2-17700000116.3
362S38.8Very low37.5Very low104 Ų104141.9 Ų141.973%0.72777%0.77SS**  trans-38.6173.3178.9-160.40000121.4
363V36.8Very low38.2Very low142 Ų142142.2 Ų142.286%0.86177%0.773SS**  trans86.8125.8163.9-49.90000122.5
364S42.3Very low39.1Very low104 Ų104141.5 Ų141.573%0.72777%0.774SS**  trans-77.3154.7176.3172.10000113.8
365M38.8Very low39.7Very low135 Ų135142.6 Ų142.667%0.66578%0.781SS**  -176.4147.8118.8-102.9-61.8-141.200117.1
366L42.8Very low40Very low127 Ų127139.2 Ų139.267%0.66578%0.779SS**  trans71.6139.4154.8-68.3166.7000120.4
367S38.6Very low40.2Very low105 Ų105139.9 Ų139.973%0.73478%0.782SS**  trans-139.8174.6-176-172.80000110.3
368L44.3Very low40.8Very low147 Ų147135.6 Ų135.677%0.7778%0.777SS**  trans76.8107.1166.8-58.2172.7000119.3
369Y38.7Very low41.3Very low222 Ų222132.9 Ų132.987%0.87178%0.779SS**  33.8128.8124.6-84.5-94.8000120.8
370T37.3Very low41.2Very low130 Ų130131.5 Ų131.580%0.79878%0.783SS**  trans-87.3155161.3-179.40000111.5
371S32.7Very low41.5Very low100 Ų100131.5 Ų131.570%0.69979%0.788SS**  trans-143.2146.8169.3-74.50000109.5
372P51.4Low41.4Very low131 Ų131133.4 Ų133.485%0.85179%0.79SS**PPolyproline II helixtrans-73.5150.2-166.129.2-35.8000113.5
373S43.4Very low41.1Very low118 Ų118135.3 Ų135.383%0.82580%0.797SS**PPolyproline II helixtrans-82148-177.1-57.20000113.3
374L53.1Low41Very low163 Ų163135.1 Ų135.185%0.85380%0.797SS**PPolyproline II helixtrans-72.1150.6167.8-65.6169.6000111.1
375P50.5Low40.8Very low125 Ų125135.2 Ų135.281%0.81280%0.795SS**PPolyproline II helixtrans-68.5135.8170.729.4-34000110.9
376N38.5Very low40.5Very low144 Ų144134.7 Ų134.777%0.7780%0.8SS**PPolyproline II helixtrans-92.6148.1-177.4-167.116.4000112.2
377I38.3Very low40.4Very low154 Ų154134 Ų13479%0.7980%0.802SS**  trans-99.6100.3-179.944.5164.1000111.5L379I377-L379 PolarHBondContact O-N 3.43Å
378S45.2Very low40.2Very low110 Ų110136.4 Ų136.477%0.76981%0.806SS**  trans-83.2105.1177.6-630000112.1
379L41.2Very low39.5Very low171 Ų171131.8 Ų131.890%0.89579%0.786SS**  trans-70.5134.9159.2-65.7171000108.8I377I377-L379 PolarHBondContact O-N 3.43Å
380G43.6Very low39Very low74 Ų74125.3 Ų125.376%0.76378%0.778SS**  trans-83.9134.3-162.900000115.9
381L42Very low38.8Very low184 Ų184122.9 Ų122.996%0.96377%0.771SS**  trans-139.7151.2149.1-73.4-179.3000108.3
382S32Very low38.8Very low112 Ų112126.9 Ų126.978%0.78378%0.783SS**  trans-128119.4-172.5580000113
383T32.1Very low37.8Very low144 Ų144124.4 Ų124.488%0.88378%0.782SS**  trans-145.8153161.847.50000110.2
384T34.5Very low37.2Very low138 Ų138126 Ų12685%0.84778%0.781SS**  trans-93-161.6-162.8-21.50000112.7
385P38.8Very low36.1Very low106 Ų106125.4 Ų125.469%0.68878%0.778SS**  -99.8165.2-124.443.5-36.6000117
386T32.6Very low35Very low124 Ų124125.6 Ų125.676%0.76177%0.772SS**  trans24.5143.4146.157.30000121.5
387P39.7Very low34.6Very low111 Ų111128.6 Ų128.672%0.72177%0.773SS**  cis-148.2150.338.739.1-18.2000120.3
388I34.4Very low34.1Very low157 Ų157126 Ų12681%0.80577%0.768SS**  trans48.5123.9135.3-56.2177.1000122.3
389S29.5Very low33.2Very low50 Ų50126.7 Ų126.735%0.3577%0.768SS.*  trans77.590.8154.8-64.20000122.1R466S389-R466 PolarHBondContact OG-NH1 2.96Å
390A29.3Very low32.6Very low86 Ų86126 Ų12671%0.71176%0.76SS**  31.4129.512100000123
391A31.2Very low31.9Very low79 Ų79128 Ų12865%0.65375%0.752SS**  175.2137.8115.900000114.4
392L33.7Very low31.3Very low183 Ų183127.3 Ų127.396%0.95874%0.741SS**  trans43.2133.8151.1-55175.3000122.7
393G29.8Very low31.3Very low79 Ų79130.1 Ų130.181%0.81474%0.742SS**  trans170.6145.8166.400000112.9
394L31.4Very low31.2Very low153 Ų153127 Ų12780%0.80174%0.738SS**  trans-154.9154.3-175.2-127.9168.7000110.9
395N29.2Very low31.3Very low150 Ų150128.6 Ų128.680%0.80274%0.741SS**  trans71.4160.9176.5-42.7-55.8000114.9
396D27.6Very low31.5Very low128 Ų128129.5 Ų129.568%0.68475%0.746SS**  cis-154-179.7-36.9-175.828.8000107.5
397R30.2Very low31.4Very low208 Ų208126.9 Ų126.979%0.78574%0.744SS**  trans-49.7148-178-55.2133.972.5-1504115
398S27.3Very low31.1Very low100 Ų100129.7 Ų129.770%0.69975%0.747SS**  152.7147.510656.80000114.6
399T27.3Very low31Very low124 Ų124129.5 Ų129.576%0.76175%0.747SS**  trans59157.3156.857.30000118.9
400E27.6Very low31.5Very low157 Ų157135 Ų13573%0.73477%0.772SS**  cis-154.2155.6-27.6-113.3-166138.100109.7
401I28.9Very low31.6Very low115 Ų115133.9 Ų133.959%0.5977%0.768SS**  trans16.9130.6153-26.3165.6000119.7
402K31.1Very low31.8Very low170 Ų170136.7 Ų136.774%0.73978%0.78SS**  164.8107112.5-83.8-178-177.9173.20116.8
403H31.4Very low31.9Very low171 Ų171134.1 Ų134.179%0.79277%0.772SS**  trans50.1125.6141.5-42.6-58.5000122.4
404G28.8Very low32.5Very low78 Ų78135.9 Ų135.980%0.80477%0.769SS**  trans172.293.4164.300000115.5
405L37.6Very low32.6Very low172 Ų172136 Ų13690%0.90177%0.769SS**  trans-127165.5167-76.5179.3000108.1
406P43.1Very low32.9Very low124 Ų124137.6 Ų137.681%0.80577%0.772SS**  cis-133178.413.841.9-25.6000116
407G31.2Very low33.3Very low70 Ų70137 Ų13772%0.72277%0.773SS**  trans178.267.717500000119.4
408H31.8Very low33.6Very low170 Ų170131.6 Ų131.679%0.78777%0.773SS**  trans27.5124.8148.8-7498.1000124.1
409L33.7Very low34.2Very low153 Ų153134.5 Ų134.580%0.80178%0.78SS**  trans68.7151.1148.6-51.5170.6000116.4
410L38.8Very low35.2Very low165 Ų165138.2 Ų138.286%0.86479%0.788SS**  cis-137.7175.722.6-77.3164.5000113
411G32.9Very low35.9Very low62 Ų62135 Ų13564%0.63978%0.783SS**  trans-87.5-179.5175.200000115.8
412P34.8Very low36.9Very low139 Ų139139.8 Ų139.890%0.90380%0.8SS**PPolyproline II helixtrans-78.9137.7-167.831-35.7000114.7
413V35.7Very low38.1Very low129 Ų129135.1 Ų135.178%0.78279%0.785SS**PPolyproline II helixtrans-97143.3173.1176.10000110
414P42.5Very low39.1Very low116 Ų116130.3 Ų130.375%0.75377%0.771SS**PPolyproline II helixtrans-79.5123.8179.9-3.421000111.3
415L33.5Very low40.7Very low154 Ų154131.3 Ų131.381%0.80676%0.763SS**  trans-90.1110.5173.8-142.377.9000110.7
416Q35.4Very low41.9Very low184 Ų184127.1 Ų127.186%0.8675%0.749SS**  trans-83.3108.8167.8-67.9-172.42.300109.7A418Q416-A418 PolarHBondContact O-N 3.44Å
417T35.9Very low42.9Very low115 Ų115125.7 Ų125.771%0.70673%0.731SS**  trans-88.387168.554.50000110L419T417-L419 PolarHBondContact O-N 3.43Å
418A36.7Very low45Very low95 Ų95128.9 Ų128.979%0.78573%0.727SS**  trans-71.893.7169.400000109.9Q416Q416-A418 PolarHBondContact O-N 3.44Å
419L40.2Very low47.1Very low161 Ų161123.4 Ų123.484%0.84371%0.711SS**  trans-90.9102.9163-66.7-176.7000108.2T417 S421T417-L419 PolarHBondContact O-N 3.43Å; L419-S421 PolarHBondContact O-N 2.94Å
420E47.5Very low49.5Very low202 Ų202120.8 Ų120.894%0.94470%0.698SS**  trans-71.2100.2177.8-169.5176.2-178.800110.3
421S41.9Very low51.6Low89 Ų89117.5 Ų117.562%0.62268%0.68SS**  trans-136.1142168.5177.80000108L419 V423L419-S421 PolarHBondContact O-N 2.94Å; S421-V423 PolarHBondContact O-N 3.24Å
422K51.5Low53.7Low216 Ų216121 Ų12194%0.93968%0.68SS**  trans-74.772.7-178.4-72.3-162.6174.9-172.50111.4
423V54.8Low55.8Low72 Ų72119.2 Ų119.244%0.43666%0.659SS.*  trans-88.9130.2177.9174.60000109.4S421 H427S421-V423 PolarHBondContact O-N 3.24Å; V423-H427 HydrophobicContact CG1-CB 3.68Å
424S53.8Low58.3Low70 Ų70117.8 Ų117.849%0.4965%0.647SS.*  trans-61.5141.3179-177.80000111.6S426 H427 Q428S424-S426 PolarHBondContact O-N 2.97Å; S424-S426 PolarHBondContact OG-OG 3.37Å; S424-H427 WeakPolarHBondContact O-CB 3.4Å; S424-H427 PolarHBondContact O-N 3.46Å; S424-Q428 PolarHBondContact O-N 3.33Å
425P62.4Low60.5Low99 Ų99117.7 Ų117.764%0.64364%0.64SS**Hα-helixtrans-53.1-29.4179.6-29.135.8000114.6H427 Q428 A429P425-H427 VanDerWaalsContact C-N 3.34Å; P425-H427 PolarHBondContact O-N 3.5Å; P425-Q428 PolarHBondContact O-N 2.92Å; P425-A429 WeakPolarHBondContact O-CB 3.31Å; P425-A429 PolarHBondContact O-N 3.5Å
426S63Low62.7Low85 Ų85115.6 Ų115.659%0.59463%0.625SS**Hα-helixtrans-64.2-35.1175.457.50000113.3S424 L430S424-S426 PolarHBondContact O-N 2.97Å; S424-S426 PolarHBondContact OG-OG 3.37Å; S426-L430 WeakPolarHBondContact O-CB 3.46Å; S426-L430 PolarHBondContact O-N 3.39Å
427H63.5Low64.4Low93 Ų93113.2 Ų113.243%0.43161%0.612SS.*Hα-helixtrans-75.6-37.7176.8-174.3102.9000111.1V423 S424 P425 A429 L430 L431V423-H427 HydrophobicContact CG1-CB 3.68Å; S424-H427 WeakPolarHBondContact O-CB 3.4Å; S424-H427 PolarHBondContact O-N 3.46Å; P425-H427 VanDerWaalsContact C-N 3.34Å; P425-H427 PolarHBondContact O-N 3.5Å; H427-A429 VanDerWaalsContact C-N 3.34Å; H427-A429 PolarHBondContact O-N 3.05Å; H427-L430 WeakPolarHBondContact O-CB 3.38Å; H427-L430 PolarHBondContact O-N 3.01Å; H427-L431 WeakPolarHBondContact O-CG 3.31Å; H427-L431 PolarHBondContact O-N 3.19Å
428Q75.2Confident66.3Low138 Ų138111.2 Ų111.265%0.64560%0.595SS**Hα-helixtrans-63.5-40.5172.9-164.2179.633.500111.6S424 P425 L431 Q432S424-Q428 PolarHBondContact O-N 3.33Å; P425-Q428 PolarHBondContact O-N 2.92Å; Q428-L431 PolarHBondContact O-N 3.06Å; Q428-Q432 WeakPolarHBondContact O-CB 3.32Å; Q428-Q432 PolarHBondContact O-N 3.01Å
429A75.8Confident67.8Low55 Ų55112.3 Ų112.346%0.45558%0.584SS.*Hα-helixtrans-64.8-38.1172.600000112.7P425 H427 Q432 H433P425-A429 WeakPolarHBondContact O-CB 3.31Å; P425-A429 PolarHBondContact O-N 3.5Å; H427-A429 VanDerWaalsContact C-N 3.34Å; H427-A429 PolarHBondContact O-N 3.05Å; A429-Q432 PolarHBondContact O-N 3.32Å; A429-H433 WeakPolarHBondContact O-CB 3.44Å; A429-H433 PolarHBondContact O-N 3.4Å
430L83.8Confident69Low98 Ų98109.8 Ų109.851%0.51357%0.57SS.*Hα-helixtrans-62.7-46.2174.3-168.485.5000111.5S426 H427 H433 L434S426-L430 WeakPolarHBondContact O-CB 3.46Å; S426-L430 PolarHBondContact O-N 3.39Å; H427-L430 WeakPolarHBondContact O-CB 3.38Å; H427-L430 PolarHBondContact O-N 3.01Å; L430-H433 PolarHBondContact O-N 2.91Å; L430-L434 HydrophobicContact CG-CD1 4.27Å; L430-L434 WeakPolarHBondContact O-CD1 3.43Å; L430-L434 PolarHBondContact O-N 3.18Å
431L83.2Confident70Confident95 Ų95106 Ų10650%0.49755%0.547SS..Hα-helixtrans-62.5-42.9176.3-70.7175.1000111.8H427 Q428 L434 L435H427-L431 WeakPolarHBondContact O-CG 3.31Å; H427-L431 PolarHBondContact O-N 3.19Å; Q428-L431 PolarHBondContact O-N 3.06Å; L431-L434 PolarHBondContact O-N 3.39Å; L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 PolarHBondContact O-N 2.88Å
432Q77.6Confident70.6Confident135 Ų135105.1 Ų105.163%0.63153%0.533SS*.Hα-helixtrans-60.7-44.6174.3-173.5-179.9101.400111.3Q428 A429 L435 Q436Q428-Q432 WeakPolarHBondContact O-CB 3.32Å; Q428-Q432 PolarHBondContact O-N 3.01Å; A429-Q432 PolarHBondContact O-N 3.32Å; Q432-L435 PolarHBondContact O-N 3.34Å; Q432-Q436 VanDerWaalsContact O-CB 3.3Å; Q432-Q436 WeakPolarHBondContact O-CB 3.46Å; Q432-Q436 PolarHBondContact O-N 3.03Å
433H78.1Confident70.8Confident102 Ų102101.3 Ų101.347%0.47252%0.519SS..Hα-helixtrans-64.3-41.9177-175.777000112.2A429 L430 Q436 K437A429-H433 WeakPolarHBondContact O-CB 3.44Å; A429-H433 PolarHBondContact O-N 3.4Å; L430-H433 PolarHBondContact O-N 2.91Å; H433-Q436 PolarHBondContact O-N 3.32Å; H433-K437 WeakPolarHBondContact O-CB 3.29Å; H433-K437 PolarHBondContact O-N 3.44Å
434L87.9Confident70.5Confident99 Ų99106.1 Ų106.152%0.51853%0.534SS..Hα-helixtrans-61-47.6174.7-10369.5000111.4L430 L431 Q436 K437 E438L430-L434 HydrophobicContact CG-CD1 4.27Å; L430-L434 WeakPolarHBondContact O-CD1 3.43Å; L430-L434 PolarHBondContact O-N 3.18Å; L431-L434 PolarHBondContact O-N 3.39Å; L434-Q436 VanDerWaalsContact C-N 3.34Å; L434-Q436 PolarHBondContact O-N 3.37Å; L434-K437 PolarHBondContact O-N 3.42Å; L434-E438 VanDerWaalsContact O-CB 3.29Å; L434-E438 WeakPolarHBondContact O-CB 3.3Å; L434-E438 PolarHBondContact O-N 3.45Å
435L87.9Confident70.5Confident115 Ų115106.9 Ų106.960%0.60253%0.531SS*.Hα-helixtrans-61.2-41.9178.5-177.763.1000111.9L431 Q432 E438 Q439L431-L435 WeakPolarHBondContact O-CB 3.4Å; L431-L435 PolarHBondContact O-N 2.88Å; Q432-L435 PolarHBondContact O-N 3.34Å; L435-E438 PolarHBondContact O-N 2.9Å; L435-Q439 PolarHBondContact O-N 2.94Å
436Q80.3Confident69.9Low109 Ų109110.2 Ų110.251%0.50954%0.536SS..Hα-helixtrans-69.2-38.5178.2-162.9173.243.800111.8Q432 H433 L434 Q439 I440Q432-Q436 VanDerWaalsContact O-CB 3.3Å; Q432-Q436 WeakPolarHBondContact O-CB 3.46Å; Q432-Q436 PolarHBondContact O-N 3.03Å; H433-Q436 PolarHBondContact O-N 3.32Å; L434-Q436 VanDerWaalsContact C-N 3.34Å; L434-Q436 PolarHBondContact O-N 3.37Å; Q436-Q439 PolarHBondContact O-N 3.01Å; Q436-I440 WeakPolarHBondContact O-CD1 3.26Å; Q436-I440 VanDerWaalsContact O-CG1 3.3Å; Q436-I440 WeakPolarHBondContact O-CG1 3.47Å; Q436-I440 PolarHBondContact O-N 3.2Å
437K71.3Confident69.1Low135 Ų135111.1 Ų111.159%0.58754%0.542SS*.Hα-helixtrans-69.5-34.6175.5-162.2176.8-171178.50112.1H433 L434 I440 R441H433-K437 WeakPolarHBondContact O-CB 3.29Å; H433-K437 PolarHBondContact O-N 3.44Å; L434-K437 PolarHBondContact O-N 3.42Å; K437-I440 PolarHBondContact O-N 3.3Å; K437-R441 PolarHBondContact O-N 2.9Å
438E76.6Confident68Low72 Ų72111.5 Ų111.534%0.33656%0.556SS.*Hα-helixtrans-67.9-43.4171.3176.256.5-160.700111.3L434 L435 I440 R441 Q442L434-E438 VanDerWaalsContact O-CB 3.29Å; L434-E438 WeakPolarHBondContact O-CB 3.3Å; L434-E438 PolarHBondContact O-N 3.45Å; L435-E438 PolarHBondContact O-N 2.9Å; E438-I440 VanDerWaalsContact C-N 3.32Å; E438-I440 PolarHBondContact O-N 2.99Å; E438-R441 WeakPolarHBondContact O-CB 3.41Å; E438-R441 PolarHBondContact O-N 3.4Å; E438-R441 VanDerWaalsContact O-N 3.1Å; E438-R441 IonicContact OE1-CZ 2.77Å; E438-R441 IonicContact OE1-NE 3.66Å; E438-R441 IonicContact OE1-NH2 2.65Å; E438-R441 PolarHBondContact OE1-NH2 2.99Å; E438-R441 IonicContact OE2-CZ 2.74Å; E438-R441 IonicContact OE2-NE 2.91Å; E438-R441 PolarHBondContact OE2-NE 3.06Å; E438-R441 IonicContact OE2-NH2 3.17Å; E438-R441 PolarHBondContact OE2-NH2 3.38Å; E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.42Å; E438-Q442 PolarHBondContact O-N 2.84Å; E438-Q442 WeakPolarHBondContact OE1-CG 3.39Å; E438-Q442 PolarHBondContact OE1-NE2 3.09Å
439Q67.9Low66.2Low119 Ų119108.9 Ų108.956%0.55657%0.565SS**Hα-helixtrans-58.1-42.3171.4-80.1-169.5-2600112.5L435 Q436 R441 Q442 Q443L435-Q439 PolarHBondContact O-N 2.94Å; Q436-Q439 PolarHBondContact O-N 3.01Å; Q439-R441 VanDerWaalsContact C-N 3.33Å; Q439-R441 PolarHBondContact O-N 3.34Å; Q439-Q442 PolarHBondContact O-N 2.92Å; Q439-Q443 PolarHBondContact O-N 2.93Å
440I66.1Low64.5Low108 Ų108116.2 Ų116.255%0.55459%0.59SS**Hα-helixtrans-63.7-39.1174.9-68162.4000111.1Q436 K437 E438 K444Q436-I440 WeakPolarHBondContact O-CD1 3.26Å; Q436-I440 VanDerWaalsContact O-CG1 3.3Å; Q436-I440 WeakPolarHBondContact O-CG1 3.47Å; Q436-I440 PolarHBondContact O-N 3.2Å; K437-I440 PolarHBondContact O-N 3.3Å; E438-I440 VanDerWaalsContact C-N 3.32Å; E438-I440 PolarHBondContact O-N 2.99Å; I440-K444 WeakPolarHBondContact O-CB 3.29Å; I440-K444 PolarHBondContact O-N 3.35Å; I440-K444 VanDerWaalsContact O-N 3.09Å
441R68.3Low62.2Low123 Ų123115.1 Ų115.146%0.46460%0.602SS.*Hα-helixtrans-61-44.1174.2-167.5-171.669.8771.7111.5K437 E438 Q439 K444 I445K437-R441 PolarHBondContact O-N 2.9Å; E438-R441 WeakPolarHBondContact O-CB 3.41Å; E438-R441 PolarHBondContact O-N 3.4Å; E438-R441 VanDerWaalsContact O-N 3.1Å; E438-R441 IonicContact OE1-CZ 2.77Å; E438-R441 IonicContact OE1-NE 3.66Å; E438-R441 IonicContact OE1-NH2 2.65Å; E438-R441 PolarHBondContact OE1-NH2 2.99Å; E438-R441 IonicContact OE2-CZ 2.74Å; E438-R441 IonicContact OE2-NE 2.91Å; E438-R441 PolarHBondContact OE2-NE 3.06Å; E438-R441 IonicContact OE2-NH2 3.17Å; E438-R441 PolarHBondContact OE2-NH2 3.38Å; Q439-R441 VanDerWaalsContact C-N 3.33Å; Q439-R441 PolarHBondContact O-N 3.34Å; R441-K444 PolarHBondContact O-N 3.31Å; R441-I445 VanDerWaalsContact NH1-CD1 3.35Å; R441-I445 WeakPolarHBondContact O-CG1 3.44Å; R441-I445 PolarHBondContact O-N 3.06Å
442Q53.1Low59.8Low70 Ų70115.8 Ų115.833%0.32762%0.615SS.*Hα-helixtrans-70.5-43.5180-62.5-76.714.800111.9E438 Q439 K444 I445 F446E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.42Å; E438-Q442 PolarHBondContact O-N 2.84Å; E438-Q442 WeakPolarHBondContact OE1-CG 3.39Å; E438-Q442 PolarHBondContact OE1-NE2 3.09Å; Q439-Q442 PolarHBondContact O-N 2.92Å; Q442-K444 PolarHBondContact O-N 2.95Å; Q442-I445 WeakPolarHBondContact O-CA 3.5Å; Q442-I445 WeakPolarHBondContact O-CB 3.37Å; Q442-I445 PolarHBondContact O-N 3.03Å; Q442-F446 HydrophobicContact CB-CE2 4.39Å; Q442-F446 WeakPolarHBondContact O-CD2 3.39Å; Q442-F446 PolarHBondContact O-N 3.42Å; Q442-F446 VanDerWaalsContact O-N 3.17Å
443Q55.6Low57.9Low136 Ų136117.5 Ų117.564%0.63663%0.625SS**Hα-helixtrans-61-33.1174.6-75.2-171.4-6.100112.6Q439 I445 F446 S447Q439-Q443 PolarHBondContact O-N 2.93Å; Q443-I445 PolarHBondContact O-N 2.77Å; Q443-F446 PolarHBondContact O-N 3.49Å; Q443-S447 PolarHBondContact O-OG 3.41Å
444K49.7Very low55.7Low173 Ų173117.4 Ų117.475%0.75264%0.636SS**Hα-helixtrans-67.5-22.4173.9-166.3177-179.2-175.20113.1I440 R441 Q442I440-K444 WeakPolarHBondContact O-CB 3.29Å; I440-K444 PolarHBondContact O-N 3.35Å; I440-K444 VanDerWaalsContact O-N 3.09Å; R441-K444 PolarHBondContact O-N 3.31Å; Q442-K444 PolarHBondContact O-N 2.95Å
445I53.6Low53Low85 Ų85117.7 Ų117.744%0.43665%0.646SS.*Hα-helixtrans-83-38.7176.4-68.4164.3000111.1R441 Q442 Q443 S447R441-I445 VanDerWaalsContact NH1-CD1 3.35Å; R441-I445 WeakPolarHBondContact O-CG1 3.44Å; R441-I445 PolarHBondContact O-N 3.06Å; Q442-I445 WeakPolarHBondContact O-CA 3.5Å; Q442-I445 WeakPolarHBondContact O-CB 3.37Å; Q442-I445 PolarHBondContact O-N 3.03Å; Q443-I445 PolarHBondContact O-N 2.77Å; I445-S447 PolarHBondContact O-N 2.93Å
446F50.3Low50.3Low169 Ų169120.5 Ų120.574%0.74166%0.656SS**THydrogen-bonded Turntrans-77.26.2179.5-64.6-64.9000115.2Q442 Q443Q442-F446 HydrophobicContact CB-CE2 4.39Å; Q442-F446 WeakPolarHBondContact O-CD2 3.39Å; Q442-F446 PolarHBondContact O-N 3.42Å; Q442-F446 VanDerWaalsContact O-N 3.17Å; Q443-F446 PolarHBondContact O-N 3.49Å
447S45.8Very low48.1Very low104 Ų104119 Ų11973%0.72766%0.663SS**THydrogen-bonded Turntrans-101.810.7-178.4-600000114.4Q443 I445Q443-S447 PolarHBondContact O-OG 3.41Å; I445-S447 PolarHBondContact O-N 2.93Å
448S40.8Very low46.2Very low102 Ų102120.8 Ų120.871%0.71367%0.673SS**SBendtrans-145.1110.1176.459.60000112.6
449G36.6Very low44.1Very low82 Ų82122.2 Ų122.285%0.84569%0.691SS**  trans117.5115176.100000113.1
450Q40.7Very low43Very low210 Ų210122.5 Ų122.598%0.98170%0.703SS**  trans-86.2145.5174.6-62.7160.4-92.600110.5
451G35.4Very low41.9Very low74 Ų74125.3 Ų125.376%0.76372%0.718SS**  trans153.696.8160.200000117.9
452S32.9Very low40.5Very low109 Ų109126.2 Ų126.276%0.76274%0.737SS**  trans54.8117.2146.2-167.80000122.2
453M36.4Very low39.7Very low172 Ų172130.4 Ų130.485%0.84776%0.759SS**  24.2148120.1-44.6-47.3-178.300120.7
454S32.5Very low38.7Very low100 Ų100131.2 Ų131.270%0.69976%0.76SS**  cis-176.3156.7-11.4175.80000110.9
455S31Very low37.9Very low104 Ų104128.1 Ų128.173%0.72775%0.752SS**  trans41123.314761.80000123
456H31.1Very low37.3Very low174 Ų174133 Ų13381%0.80677%0.765SS**  151.7165.7105.1-16064.8000111.9
457A34.1Very low36.8Very low79 Ų79130.3 Ų130.365%0.65376%0.764SS**  trans-114.3-176-175.300000111.9
458Q31.6Very low36.5Very low172 Ų172130.4 Ų130.480%0.80477%0.765SS**  trans172.2155.5135.9-88.1-76.2-12.700109.7
459S32.5Very low36.1Very low102 Ų102130.4 Ų130.471%0.71377%0.765SS**  trans-165.8135.4178.1176.20000111.4
460P44.3Very low36.3Very low125 Ų125131.1 Ų131.181%0.81276%0.757SS**  trans-135.4171.615833-15.3000115.1
461L43.3Very low36.7Very low166 Ų166133.1 Ų133.187%0.86976%0.755SS**  trans-111.5152.5-170.6-62159.6000112.6
462V38.8Very low38Very low142 Ų142134.9 Ų134.986%0.86175%0.753SS**  trans-139.897.8162.1-175.70000112.6
463M36.3Very low38.4Very low159 Ų159137.3 Ų137.378%0.78375%0.75SS**  38.3115.8126.6-57.5-66.5-90.300121.8
464K34.8Very low38.6Very low153 Ų153136.4 Ų136.467%0.66575%0.748SS**  103.8136.9105.9-177.8171.1170.7173.30122.4
465D33.7Very low39.6Very low108 Ų108136.6 Ų136.658%0.57875%0.747SS**  trans88.4151158-73.1-12000123.4
466R39.3Very low40.7Very low187 Ų187140.9 Ų140.971%0.70675%0.753SS**  trans-127.2145.3-159.3175.577.2-179.6-136.3-0.9107S389S389-R466 PolarHBondContact OG-NH1 2.96Å
467P41.1Very low41.5Very low113 Ų113141.7 Ų141.773%0.73476%0.756SS**  -149.7167.250.842.5-22.6000119.6
468S38.9Very low42.3Very low105 Ų105148.9 Ų148.973%0.73477%0.767SS**  trans66.6120148.5-145.80000123.2
469S33.6Very low43.5Very low102 Ų102146.4 Ų146.471%0.71377%0.765SS**  trans70.3125.8144.3-150.70000124.5
470S39Very low44.3Very low98 Ų98150 Ų15069%0.68578%0.775SS**  trans62.583.3137.759.80000123.9
471R49.6Very low44.5Very low251 Ų251151.4 Ų151.495%0.94778%0.776SS**  60.6157.1126.3-70.3-167.9-178.7-150.30.9123.1
472P62.2Low44.9Very low111 Ų111154.6 Ų154.672%0.72178%0.777SS**  trans-128.6-178.3-167.744.8-29.8000115.8
473K42.5Very low45.4Very low161 Ų161154.2 Ų154.270%0.778%0.775SS**  trans175150.8133.4-100.5164.4-176.5-179.70114.3
474L41.2Very low46.3Very low152 Ų152155.7 Ų155.780%0.79678%0.78SS**  trans171-179132.7-85.5177.1000107.8
475P53.1Low46.8Very low105 Ų105153.9 Ų153.968%0.68279%0.786SS**  -128.1162.7-7337.6-21.8000116.8
476K54.5Low47.4Very low194 Ų194152.8 Ų152.884%0.84379%0.792SS**  trans21.6138.2150.8-64.2174.5175175.50121.2
477H47Very low47.7Very low190 Ų190150.2 Ų150.288%0.8880%0.8SS**  -165.3142.9126.4-105.1-66.9000116.1
478R50Low48.3Very low231 Ų231151.1 Ų151.187%0.87280%0.798SS**  trans51.5134.9150.6-145.1171.7-165161.24.3122.4
479P57.4Low48.9Very low119 Ų119151.4 Ų151.477%0.77380%0.797SS**  trans-88.7163170.336.8-35.8000113.8
480L49.9Very low49.9Very low178 Ų178150.8 Ų150.893%0.93278%0.783SS**  trans-133.2151.7176.5-94.5157.6000111
481N48.8Very low50.7Low155 Ų155147 Ų14783%0.82976%0.755SS**  trans-97.6134.9-172.5-86-62.5000114
482R50.9Low51.3Low233 Ų233139.6 Ų139.688%0.87974%0.738SS**  trans36.995.1139.2-167.1175.8-174.2155.70.1118.2
483T49.7Very low51.7Low134 Ų134140.6 Ų140.682%0.82274%0.736SS**  trans-91.4164.8157.448.90000111.5
484Q54.3Low53Low190 Ų190134.3 Ų134.389%0.88871%0.714SS**  trans-111.3117.9-179.2-66.6-157.438.300113.2
485S46.3Very low54.5Low114 Ų114132.3 Ų132.380%0.79770%0.701SS**  trans177.6139.9163.653.60000107.9
486A45.9Very low55.8Low85 Ų85132.1 Ų132.170%0.70269%0.694SS**  cis-152.9164.6-9.700000106.6L488A486-L488 PolarHBondContact O-N 3.03Å; A486-L488 VanDerWaalsContact O-N 3.14Å
487P46Very low57.4Low133 Ų133126.6 Ų126.686%0.86468%0.676SS**  trans-61.4120.1179.924-33.7000111.7
488L52.9Low59.3Low133 Ų133122.6 Ų122.670%0.69666%0.66SS**  trans-68.5139.2-178.9-163.273000110.1A486 Q490A486-L488 PolarHBondContact O-N 3.03Å; A486-L488 VanDerWaalsContact O-N 3.14Å; L488-Q490 VanDerWaalsContact C-N 3.28Å; L488-Q490 HydrophobicContact CB-CG 4.37Å; L488-Q490 PolarHBondContact O-N 2.82Å
489P51.8Low60.8Low110 Ų110117.9 Ų117.971%0.71465%0.648SS**  trans-74.177.7-178.330.3-36.3000111.9N491P489-N491 VanDerWaalsContact C-N 3.31Å; P489-N491 PolarHBondContact O-N 3.27Å
490Q56Low62.2Low90 Ų90118.9 Ų118.942%0.42164%0.642SS.*THydrogen-bonded Turntrans-76.3-8.4-174-78-167-46.800114.5S320 G321 L488S320-Q490 CarbonylContact C-O 3.43Å; S320-Q490 WeakPolarHBondContact CA-O 3.41Å; G321-Q490 PolarHBondContact N-O 2.87Å; G321-Q490 CarbonylContact O-C 3.49Å; G321-Q490 VanDerWaalsContact O-CA 3.32Å; G321-Q490 WeakPolarHBondContact O-CA 3.46Å; G321-Q490 WeakPolarHBondContact O-CB 3.46Å; G321-Q490 WeakPolarHBondContact O-CG 3.45Å; L488-Q490 VanDerWaalsContact C-N 3.28Å; L488-Q490 HydrophobicContact CB-CG 4.37Å; L488-Q490 PolarHBondContact O-N 2.82Å
491N55.4Low63.8Low17 Ų17117.2 Ų117.29%0.09163%0.629CS.*THydrogen-bonded Turntrans-103.917.8-174.7-145.2-3.9000118.4P318 G319 S320 P489 L493 A494 Q495P318-N491 WeakPolarHBondContact O-CB 3.2Å; P318-N491 PolarHBondContact O-ND2 3.41Å; G319-N491 WeakPolarHBondContact O-CB 3.32Å; S320-N491 VanDerWaalsContact CB-OD1 3.25Å; S320-N491 WeakPolarHBondContact CB-OD1 3.39Å; S320-N491 PolarHBondContact OG-OD1 2.75Å; S320-N491 VanDerWaalsContact OG-OD1 3.09Å; P489-N491 VanDerWaalsContact C-N 3.31Å; P489-N491 PolarHBondContact O-N 3.27Å; N491-L493 PolarHBondContact O-N 3.02Å; N491-A494 WeakPolarHBondContact OD1-CA 3.45Å; N491-A494 WeakPolarHBondContact OD1-CB 3.4Å; N491-A494 PolarHBondContact OD1-N 2.88Å; N491-Q495 WeakPolarHBondContact O-CB 3.4Å; N491-Q495 PolarHBondContact O-N 2.74Å; N491-Q495 VanDerWaalsContact O-N 3.07Å; N491-Q495 PolarHBondContact OD1-N 3.23Å
492T62.2Low65.7Low96 Ų96115 Ų11559%0.58961%0.614SS**Hα-helixtrans-56.2-36.3174.3-45.50000111.3L496T492-L496 WeakPolarHBondContact O-CB 3.5Å; T492-L496 WeakPolarHBondContact O-CD1 3.41Å; T492-L496 PolarHBondContact O-N 3.18Å
493L69.5Low67.4Low133 Ų133109.2 Ų109.270%0.69660%0.597SS**Hα-helixtrans-73-56.8-178.8-175.662.3000113.8N491 Q495 L496 V497N491-L493 PolarHBondContact O-N 3.02Å; L493-Q495 VanDerWaalsContact C-N 3.31Å; L493-Q495 PolarHBondContact O-N 2.69Å; L493-L496 WeakPolarHBondContact O-CA 3.41Å; L493-L496 VanDerWaalsContact O-CB 3.31Å; L493-L496 WeakPolarHBondContact O-CB 3.48Å; L493-L496 PolarHBondContact O-N 3.2Å; L493-L496 VanDerWaalsContact O-N 3.08Å; L493-V497 PolarHBondContact O-N 3.43Å
494A70.4Confident69.3Low28 Ų28108.6 Ų108.623%0.23158%0.584CS.*Hα-helixtrans-75.6-22.2-175.100000112.2S320 N491 L496 V497 I498S320-A494 WeakPolarHBondContact OG-CB 3.45Å; N491-A494 WeakPolarHBondContact OD1-CA 3.45Å; N491-A494 WeakPolarHBondContact OD1-CB 3.4Å; N491-A494 PolarHBondContact OD1-N 2.88Å; A494-L496 VanDerWaalsContact C-N 3.32Å; A494-V497 PolarHBondContact O-N 2.94Å; A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 WeakPolarHBondContact O-CD1 3.33Å; A494-I498 VanDerWaalsContact O-CG1 3.24Å; A494-I498 WeakPolarHBondContact O-CG1 3.34Å; A494-I498 PolarHBondContact O-N 3.45Å
495Q72.6Confident71.2Confident111 Ų111105 Ų10552%0.51957%0.566SS.*Hα-helixtrans-67.7-32.1166.6-166.2158.144.900112.2N491 L493 Q499N491-Q495 WeakPolarHBondContact O-CB 3.4Å; N491-Q495 PolarHBondContact O-N 2.74Å; N491-Q495 VanDerWaalsContact O-N 3.07Å; N491-Q495 PolarHBondContact OD1-N 3.23Å; L493-Q495 VanDerWaalsContact C-N 3.31Å; L493-Q495 PolarHBondContact O-N 2.69Å; Q495-Q499 VanDerWaalsContact O-CB 3.28Å; Q495-Q499 WeakPolarHBondContact O-CB 3.42Å; Q495-Q499 PolarHBondContact O-N 2.65Å
496L80.8Confident73.5Confident101 Ų101104.1 Ų104.153%0.52955%0.552SS.*Hα-helixtrans-67.5-41.8167.9-106.664.2000112.2T492 L493 A494 Q499 Q500T492-L496 WeakPolarHBondContact O-CB 3.5Å; T492-L496 WeakPolarHBondContact O-CD1 3.41Å; T492-L496 PolarHBondContact O-N 3.18Å; L493-L496 WeakPolarHBondContact O-CA 3.41Å; L493-L496 VanDerWaalsContact O-CB 3.31Å; L493-L496 WeakPolarHBondContact O-CB 3.48Å; L493-L496 PolarHBondContact O-N 3.2Å; L493-L496 VanDerWaalsContact O-N 3.08Å; A494-L496 VanDerWaalsContact C-N 3.32Å; L496-Q499 PolarHBondContact O-N 3.43Å; L496-Q500 WeakPolarHBondContact O-CB 3.5Å; L496-Q500 PolarHBondContact O-N 3.4Å
497V88.1Confident75.6Confident77 Ų77102.9 Ų102.947%0.46753%0.531SS..Hα-helixtrans-62.5-45176.3174.80000111.3L493 A494 Q499 Q500 Q501L493-V497 PolarHBondContact O-N 3.43Å; A494-V497 PolarHBondContact O-N 2.94Å; V497-Q499 VanDerWaalsContact C-N 3.33Å; V497-Q499 PolarHBondContact O-N 3.13Å; V497-Q500 PolarHBondContact O-N 3.21Å; V497-Q501 WeakPolarHBondContact O-CB 3.41Å; V497-Q501 PolarHBondContact O-N 3.25Å
498I86.4Confident77.7Confident106 Ų106103.3 Ų103.354%0.54452%0.52SS..Hα-helixtrans-63-40.7175.5-68.6163.5000110.6A494 H502A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 WeakPolarHBondContact O-CD1 3.33Å; A494-I498 VanDerWaalsContact O-CG1 3.24Å; A494-I498 WeakPolarHBondContact O-CG1 3.34Å; A494-I498 PolarHBondContact O-N 3.45Å; I498-H502 VanDerWaalsContact O-CB 3.28Å; I498-H502 WeakPolarHBondContact O-CB 3.39Å; I498-H502 PolarHBondContact O-N 3.04Å
499Q82.4Confident79.4Confident133 Ų133101.4 Ų101.462%0.62151%0.507SS*.Hα-helixtrans-63.6-43.8175.5-175.3178.1110.100112.1Q495 L496 V497 H502 Q503Q495-Q499 VanDerWaalsContact O-CB 3.28Å; Q495-Q499 WeakPolarHBondContact O-CB 3.42Å; Q495-Q499 PolarHBondContact O-N 2.65Å; L496-Q499 PolarHBondContact O-N 3.43Å; V497-Q499 VanDerWaalsContact C-N 3.33Å; V497-Q499 PolarHBondContact O-N 3.13Å; Q499-H502 PolarHBondContact O-N 2.95Å; Q499-Q503 WeakPolarHBondContact O-CB 3.49Å; Q499-Q503 PolarHBondContact O-N 3.35Å
500Q86.4Confident81.2Confident140 Ų140102 Ų10265%0.65450%0.498SS*.Hα-helixtrans-63.3-46.6177.1-176.5-175.777.200111.4L496 V497 H502 Q503 H504L496-Q500 WeakPolarHBondContact O-CB 3.5Å; L496-Q500 PolarHBondContact O-N 3.4Å; V497-Q500 PolarHBondContact O-N 3.21Å; Q500-H502 VanDerWaalsContact C-N 3.35Å; Q500-H502 PolarHBondContact O-N 2.95Å; Q500-Q503 WeakPolarHBondContact O-CB 3.3Å; Q500-Q503 PolarHBondContact O-N 2.89Å; Q500-H504 PolarHBondContact O-N 3.38Å
501Q83.8Confident82.7Confident142 Ų142102.4 Ų102.466%0.66450%0.501SS*.Hα-helixtrans-62.7-40.6176.8-171.7-173.56700111.8V497 H504 F505V497-Q501 WeakPolarHBondContact O-CB 3.41Å; V497-Q501 PolarHBondContact O-N 3.25Å; Q501-H504 PolarHBondContact O-N 3.49Å; Q501-F505 WeakPolarHBondContact O-CB 3.35Å; Q501-F505 PolarHBondContact O-N 3.18Å
502H87.7Confident84.4Confident109 Ų109108.4 Ų108.451%0.50552%0.523SS..Hα-helixtrans-64.3-41.7175.8-179.965.2000112.3I498 Q499 Q500 F505 L506I498-H502 VanDerWaalsContact O-CB 3.28Å; I498-H502 WeakPolarHBondContact O-CB 3.39Å; I498-H502 PolarHBondContact O-N 3.04Å; Q499-H502 PolarHBondContact O-N 2.95Å; Q500-H502 VanDerWaalsContact C-N 3.35Å; Q500-H502 PolarHBondContact O-N 2.95Å; H502-F505 PolarHBondContact O-N 2.98Å; H502-L506 WeakPolarHBondContact O-CG 3.4Å; H502-L506 PolarHBondContact O-N 3.24Å
503Q87.9Confident85.7Confident111 Ų111110.9 Ų110.952%0.51953%0.528SS..Hα-helixtrans-58.9-51.8175.3-151.8-81.569.400109.9Q499 Q500 F505 L506 E507Q499-Q503 WeakPolarHBondContact O-CB 3.49Å; Q499-Q503 PolarHBondContact O-N 3.35Å; Q500-Q503 WeakPolarHBondContact O-CB 3.3Å; Q500-Q503 PolarHBondContact O-N 2.89Å; Q503-F505 VanDerWaalsContact C-N 3.33Å; Q503-F505 PolarHBondContact O-N 3.33Å; Q503-L506 WeakPolarHBondContact O-CB 3.31Å; Q503-L506 PolarHBondContact O-N 2.83Å; Q503-L506 VanDerWaalsContact O-N 3.11Å; Q503-E507 PolarHBondContact O-N 3.1Å
504H88.4Confident86.7Confident121 Ų121109 Ų10956%0.5652%0.516SS*.Hα-helixtrans-64.7-31.9178.9-165.260.2000113.4Q500 Q501 E507 K508Q500-H504 PolarHBondContact O-N 3.38Å; Q501-H504 PolarHBondContact O-N 3.49Å; H504-E507 IonicContact ND1-OE2 2.74Å; H504-E507 PolarHBondContact O-N 3.05Å; H504-K508 WeakPolarHBondContact O-CB 3.38Å; H504-K508 PolarHBondContact O-N 3.26Å
505F95.1Very high87.6Confident116 Ų116113 Ų11351%0.50953%0.53SS..Hα-helixtrans-64.2-44.5170.9173.8-94.4000112.2Q501 H502 Q503 E507 K508 Q509Q501-F505 WeakPolarHBondContact O-CB 3.35Å; Q501-F505 PolarHBondContact O-N 3.18Å; H502-F505 PolarHBondContact O-N 2.98Å; Q503-F505 VanDerWaalsContact C-N 3.33Å; Q503-F505 PolarHBondContact O-N 3.33Å; F505-E507 VanDerWaalsContact C-N 3.34Å; F505-K508 PolarHBondContact O-N 3.46Å; F505-Q509 HydrophobicContact CD1-CG 4.26Å; F505-Q509 HydrophobicContact CE1-CG 3.83Å; F505-Q509 HydrophobicContact CE2-CG 4.27Å; F505-Q509 HydrophobicContact CZ-CG 3.83Å; F505-Q509 WeakPolarHBondContact O-CG 3.39Å; F505-Q509 PolarHBondContact O-N 3.32Å
506L93.5Very high88.4Confident94 Ų94110.8 Ų110.849%0.49252%0.523SS..Hα-helixtrans-64.2-39.7176.4-69.5175.7000111.8H502 Q503 Q509 K510H502-L506 WeakPolarHBondContact O-CG 3.4Å; H502-L506 PolarHBondContact O-N 3.24Å; Q503-L506 WeakPolarHBondContact O-CB 3.31Å; Q503-L506 PolarHBondContact O-N 2.83Å; Q503-L506 VanDerWaalsContact O-N 3.11Å; L506-Q509 PolarHBondContact O-N 3.02Å; L506-K510 PolarHBondContact O-N 3.02Å
507E91.3Very high88.8Confident59 Ų59111.3 Ų111.328%0.27652%0.523SS..Hα-helixtrans-62.7-45.7174.4-174.8166.8-111.700111.7Q503 H504 F505 Q509 K510 Q511Q503-E507 PolarHBondContact O-N 3.1Å; H504-E507 IonicContact ND1-OE2 2.74Å; H504-E507 PolarHBondContact O-N 3.05Å; F505-E507 VanDerWaalsContact C-N 3.34Å; E507-Q509 VanDerWaalsContact C-N 3.33Å; E507-Q509 PolarHBondContact O-N 2.9Å; E507-K510 WeakPolarHBondContact O-CB 3.49Å; E507-K510 PolarHBondContact O-N 2.94Å; E507-K510 VanDerWaalsContact O-N 3.17Å; E507-Q511 PolarHBondContact O-N 3.45Å
508K89.9Confident88.9Confident142 Ų142111.6 Ų111.662%0.61752%0.521SS*.Hα-helixtrans-62.7-36.8175.3-169.3170.4-174.6172.20112.6H504 F505 Q511 Y512H504-K508 WeakPolarHBondContact O-CB 3.38Å; H504-K508 PolarHBondContact O-N 3.26Å; F505-K508 PolarHBondContact O-N 3.46Å; K508-Q511 PolarHBondContact O-N 3.3Å; K508-Y512 WeakPolarHBondContact O-CB 3.46Å; K508-Y512 PolarHBondContact O-N 2.67Å
509Q87.2Confident89Confident94 Ų94110.5 Ų110.544%0.43952%0.516SS..Hα-helixtrans-65.2-42.8172.2-73.9-68.4-17.300112.1F505 L506 E507 Y512 Q513F505-Q509 HydrophobicContact CD1-CG 4.26Å; F505-Q509 HydrophobicContact CE1-CG 3.83Å; F505-Q509 HydrophobicContact CE2-CG 4.27Å; F505-Q509 HydrophobicContact CZ-CG 3.83Å; F505-Q509 WeakPolarHBondContact O-CG 3.39Å; F505-Q509 PolarHBondContact O-N 3.32Å; L506-Q509 PolarHBondContact O-N 3.02Å; E507-Q509 VanDerWaalsContact C-N 3.33Å; E507-Q509 PolarHBondContact O-N 2.9Å; Q509-Y512 PolarHBondContact O-N 3.29Å; Q509-Q513 WeakPolarHBondContact O-CB 3.29Å; Q509-Q513 PolarHBondContact O-N 3.38Å
510K89.4Confident89.3Confident121 Ų121111 Ų11153%0.52652%0.516SS..Hα-helixtrans-61-45.6174.2-178.1-169.4169.9-164.40111.2Q129 L506 E507 Q513 Q514Q129-K510 VanDerWaalsContact OE1-NZ 3.16Å; L506-K510 PolarHBondContact O-N 3.02Å; E507-K510 WeakPolarHBondContact O-CB 3.49Å; E507-K510 PolarHBondContact O-N 2.94Å; E507-K510 VanDerWaalsContact O-N 3.17Å; K510-Q513 PolarHBondContact O-N 3.46Å; K510-Q514 WeakPolarHBondContact O-CB 3.43Å; K510-Q514 PolarHBondContact O-N 3.45Å
511Q88.4Confident89.4Confident100 Ų100109.2 Ų109.247%0.46751%0.511SS..Hα-helixtrans-62.4-47.5176.6-75.1-178.1-13.200111.9E507 K508 Q513 Q514 Q515E507-Q511 PolarHBondContact O-N 3.45Å; K508-Q511 PolarHBondContact O-N 3.3Å; Q511-Q513 PolarHBondContact O-N 3.4Å; Q511-Q514 PolarHBondContact O-N 3.2Å; Q511-Q515 WeakPolarHBondContact O-CB 3.47Å; Q511-Q515 PolarHBondContact O-N 2.91Å
512Y91.6Very high89.4Confident142 Ų142106.7 Ų106.756%0.55750%0.501SS*.Hα-helixtrans-60.2-44.7177177.7-108.3000111.9K508 Q509 Q514 Q515 V516K508-Y512 WeakPolarHBondContact O-CB 3.46Å; K508-Y512 PolarHBondContact O-N 2.67Å; Q509-Y512 PolarHBondContact O-N 3.29Å; Y512-Q514 VanDerWaalsContact C-N 3.32Å; Y512-Q514 PolarHBondContact O-N 3.39Å; Y512-Q515 PolarHBondContact O-N 3.11Å; Y512-V516 HydrophobicContact CD1-CG2 4.35Å; Y512-V516 HydrophobicContact CD2-CG2 4.28Å; Y512-V516 HydrophobicContact CE1-CG2 3.91Å; Y512-V516 HydrophobicContact CE2-CG2 3.84Å; Y512-V516 WeakPolarHBondContact O-CB 3.25Å; Y512-V516 WeakPolarHBondContact O-CG2 3.31Å; Y512-V516 PolarHBondContact O-N 2.84Å
513Q89.4Confident89.1Confident148 Ų148105.1 Ų105.169%0.69250%0.502SS*.Hα-helixtrans-65.1-35.2177.3-169.9172.989.200112.3Q509 K510 Q511 H517Q509-Q513 WeakPolarHBondContact O-CB 3.29Å; Q509-Q513 PolarHBondContact O-N 3.38Å; K510-Q513 PolarHBondContact O-N 3.46Å; Q511-Q513 PolarHBondContact O-N 3.4Å; Q513-H517 WeakPolarHBondContact O-CB 3.36Å; Q513-H517 PolarHBondContact O-N 2.87Å
514Q90.8Very high88.5Confident94 Ų94106.4 Ų106.444%0.43951%0.506SS..Hα-helixtrans-67.5-42.9171.9-178.9173.28300112K510 Q511 Y512 H517 I518K510-Q514 WeakPolarHBondContact O-CB 3.43Å; K510-Q514 PolarHBondContact O-N 3.45Å; Q511-Q514 PolarHBondContact O-N 3.2Å; Y512-Q514 VanDerWaalsContact C-N 3.32Å; Y512-Q514 PolarHBondContact O-N 3.39Å; Q514-H517 WeakPolarHBondContact O-CB 3.42Å; Q514-H517 PolarHBondContact O-N 3.49Å; Q514-I518 HydrophobicContact CG-CD1 4.01Å; Q514-I518 WeakPolarHBondContact O-CG1 3.31Å; Q514-I518 PolarHBondContact O-N 3.49Å
515Q88.8Confident87.7Confident113 Ų113103.1 Ų103.153%0.52850%0.497SS..Hα-helixtrans-63.8-42.9176.3-170.2-177.529.800111.5Q511 Y512 H517 I518 N519Q511-Q515 WeakPolarHBondContact O-CB 3.47Å; Q511-Q515 PolarHBondContact O-N 2.91Å; Y512-Q515 PolarHBondContact O-N 3.11Å; Q515-H517 VanDerWaalsContact C-N 3.32Å; Q515-H517 PolarHBondContact O-N 3.14Å; Q515-I518 PolarHBondContact O-N 3.07Å; Q515-N519 WeakPolarHBondContact O-CB 3.49Å; Q515-N519 VanDerWaalsContact O-CG 3.27Å; Q515-N519 PolarHBondContact O-N 3.02Å
516V89.9Confident86.8Confident63 Ų63102.5 Ų102.538%0.38250%0.498SS..Hα-helixtrans-62.9-38.1173.2169.90000111.3Y512 K520Y512-V516 HydrophobicContact CD1-CG2 4.35Å; Y512-V516 HydrophobicContact CD2-CG2 4.28Å; Y512-V516 HydrophobicContact CE1-CG2 3.91Å; Y512-V516 HydrophobicContact CE2-CG2 3.84Å; Y512-V516 WeakPolarHBondContact O-CB 3.25Å; Y512-V516 WeakPolarHBondContact O-CG2 3.31Å; Y512-V516 PolarHBondContact O-N 2.84Å; V516-K520 WeakPolarHBondContact O-CB 3.49Å; V516-K520 PolarHBondContact O-N 3.34Å
517H89Confident85.7Confident112 Ų112102.5 Ų102.552%0.51950%0.496SS..Hα-helixtrans-66.3-44.8174.9-178.979.3000112.3Q513 Q514 Q515 K520 L521Q513-H517 WeakPolarHBondContact O-CB 3.36Å; Q513-H517 PolarHBondContact O-N 2.87Å; Q514-H517 WeakPolarHBondContact O-CB 3.42Å; Q514-H517 PolarHBondContact O-N 3.49Å; Q515-H517 VanDerWaalsContact C-N 3.32Å; Q515-H517 PolarHBondContact O-N 3.14Å; H517-K520 PolarHBondContact O-N 2.94Å; H517-L521 WeakPolarHBondContact O-CB 3.36Å; H517-L521 PolarHBondContact O-N 3.19Å
518I89.2Confident84.4Confident84 Ų84107 Ų10743%0.43152%0.517SS..Hα-helixtrans-61.8-51.5175.5-70166.2000110.1Q514 Q515 K520 L521 L522Q514-I518 HydrophobicContact CG-CD1 4.01Å; Q514-I518 WeakPolarHBondContact O-CG1 3.31Å; Q514-I518 PolarHBondContact O-N 3.49Å; Q515-I518 PolarHBondContact O-N 3.07Å; I518-K520 VanDerWaalsContact C-N 3.28Å; I518-K520 PolarHBondContact O-N 3.32Å; I518-L521 PolarHBondContact O-N 3.36Å; I518-L522 HydrophobicContact CG2-CD1 3.86Å; I518-L522 HydrophobicContact CG2-CG 4.27Å; I518-L522 WeakPolarHBondContact O-CG 3.29Å; I518-L522 PolarHBondContact O-N 3.46Å
519N89.1Confident82.9Confident83 Ų83107.1 Ų107.144%0.44452%0.523SS..Hα-helixtrans-58.3-40.2177.4-72.5-7.5000111.6Q515 L521 L522 S523Q515-N519 WeakPolarHBondContact O-CB 3.49Å; Q515-N519 VanDerWaalsContact O-CG 3.27Å; Q515-N519 PolarHBondContact O-N 3.02Å; N519-L521 PolarHBondContact O-N 3.18Å; N519-L522 PolarHBondContact O-N 3.16Å; N519-S523 WeakPolarHBondContact O-CB 3.47Å; N519-S523 PolarHBondContact O-N 3.32Å; N519-S523 PolarHBondContact O-OG 3.14Å
520K89Confident81.5Confident142 Ų142111.5 Ų111.562%0.61754%0.536SS*.Hα-helixtrans-67.4-32.7176.1-173.7169.1-174.6169.60113.2V516 H517 I518 K524V516-K520 WeakPolarHBondContact O-CB 3.49Å; V516-K520 PolarHBondContact O-N 3.34Å; H517-K520 PolarHBondContact O-N 2.94Å; I518-K520 VanDerWaalsContact C-N 3.28Å; I518-K520 PolarHBondContact O-N 3.32Å; K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 WeakPolarHBondContact O-CG 3.49Å; K520-K524 PolarHBondContact O-N 3.35Å; K520-K524 VanDerWaalsContact O-N 3.09Å
521L87.8Confident79.6Confident103 Ų103111.5 Ų111.554%0.53954%0.537SS..Hα-helixtrans-74.5-40.3174.8-168.2150.5000111.1H517 I518 N519 K524 S525H517-L521 WeakPolarHBondContact O-CB 3.36Å; H517-L521 PolarHBondContact O-N 3.19Å; I518-L521 PolarHBondContact O-N 3.36Å; N519-L521 PolarHBondContact O-N 3.18Å; L521-K524 PolarHBondContact O-N 3.44Å; L521-S525 WeakPolarHBondContact O-CB 3.41Å; L521-S525 PolarHBondContact O-N 3.08Å
522L83.8Confident77.4Confident89 Ų89111.4 Ų111.447%0.46655%0.545SS..Hα-helixtrans-62.8-46.9171.8-68.3174.1000111.5I518 N519 K524 S525 I526I518-L522 HydrophobicContact CG2-CD1 3.86Å; I518-L522 HydrophobicContact CG2-CG 4.27Å; I518-L522 WeakPolarHBondContact O-CG 3.29Å; I518-L522 PolarHBondContact O-N 3.46Å; N519-L522 PolarHBondContact O-N 3.16Å; L522-K524 VanDerWaalsContact C-N 3.31Å; L522-K524 PolarHBondContact O-N 3.01Å; L522-S525 WeakPolarHBondContact O-CB 3.36Å; L522-S525 PolarHBondContact O-N 3.33Å; L522-S525 VanDerWaalsContact O-N 3.14Å; L522-I526 WeakPolarHBondContact O-CB 3.45Å; L522-I526 WeakPolarHBondContact O-CD1 3.37Å; L522-I526 VanDerWaalsContact O-CG1 3.24Å; L522-I526 WeakPolarHBondContact O-CG1 3.37Å; L522-I526 PolarHBondContact O-N 3.31Å
523S81.6Confident75.2Confident76 Ų76109.7 Ų109.753%0.53155%0.554SS.*Hα-helixtrans-59.7-39.3174.4-62.90000112.2N519 E527N519-S523 WeakPolarHBondContact O-CB 3.47Å; N519-S523 PolarHBondContact O-N 3.32Å; N519-S523 PolarHBondContact O-OG 3.14Å; S523-E527 WeakPolarHBondContact O-CB 3.48Å; S523-E527 PolarHBondContact O-N 3.13Å
524K74.6Confident72.8Confident138 Ų138108.9 Ų108.960%0.656%0.56SS**Hα-helixtrans-64.6-41.6172.9-84.9-171.6162.8-143.60112.9K520 L521 L522 E527 Q528K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 WeakPolarHBondContact O-CG 3.49Å; K520-K524 PolarHBondContact O-N 3.35Å; K520-K524 VanDerWaalsContact O-N 3.09Å; L521-K524 PolarHBondContact O-N 3.44Å; L522-K524 VanDerWaalsContact C-N 3.31Å; L522-K524 PolarHBondContact O-N 3.01Å; K524-E527 PolarHBondContact O-N 2.85Å; K524-Q528 PolarHBondContact O-N 3.47Å
525S71.6Confident70.3Confident53 Ų53112.9 Ų112.937%0.37158%0.578SS.*Hα-helixtrans-64.2-45.4176.7-172.60000111.1L521 L522 E527 Q528 L529L521-S525 WeakPolarHBondContact O-CB 3.41Å; L521-S525 PolarHBondContact O-N 3.08Å; L522-S525 WeakPolarHBondContact O-CB 3.36Å; L522-S525 PolarHBondContact O-N 3.33Å; L522-S525 VanDerWaalsContact O-N 3.14Å; S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 PolarHBondContact O-N 2.89Å; S525-Q528 PolarHBondContact O-N 3.32Å; S525-L529 WeakPolarHBondContact O-CB 3.29Å; S525-L529 PolarHBondContact O-N 3.49Å
526I76.4Confident68Low102 Ų102115.1 Ų115.152%0.52359%0.593SS.*Hα-helixtrans-61.4-40.6175.1-68162.6000110.9L522 L529 R530L522-I526 WeakPolarHBondContact O-CB 3.45Å; L522-I526 WeakPolarHBondContact O-CD1 3.37Å; L522-I526 VanDerWaalsContact O-CG1 3.24Å; L522-I526 WeakPolarHBondContact O-CG1 3.37Å; L522-I526 PolarHBondContact O-N 3.31Å; I526-L529 CarbonylContact O-C 3.58Å; I526-L529 PolarHBondContact O-N 3.16Å; I526-R530 WeakPolarHBondContact O-CB 3.37Å; I526-R530 PolarHBondContact O-N 2.98Å
527E71Confident65.5Low95 Ų95121 Ų12144%0.44462%0.616SS.*Hα-helixtrans-66.5-42.7175-166.960.4-139.500111.6S523 K524 S525 L529 R530 Q531S523-E527 WeakPolarHBondContact O-CB 3.48Å; S523-E527 PolarHBondContact O-N 3.13Å; K524-E527 PolarHBondContact O-N 2.85Å; S525-E527 VanDerWaalsContact C-N 3.33Å; S525-E527 PolarHBondContact O-N 2.89Å; E527-L529 VanDerWaalsContact C-N 3.3Å; E527-L529 PolarHBondContact O-N 3.42Å; E527-R530 CarbonylContact O-C 3.5Å; E527-R530 WeakPolarHBondContact O-CA 3.5Å; E527-R530 PolarHBondContact O-N 3.01Å; E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.24Å; E527-Q531 PolarHBondContact O-N 3.49Å; E527-Q531 VanDerWaalsContact O-N 3.11Å; E527-Q531 PolarHBondContact OE1-NE2 3.4Å; E527-Q531 VanDerWaalsContact OE1-NE2 3.1Å
528Q63.6Low63.1Low154 Ų154125.1 Ų125.172%0.7264%0.636SS**Hα-helixtrans-61.8-35.5172.8-77.5-175.5-105.400112.8K524 S525 R530K524-Q528 PolarHBondContact O-N 3.47Å; S525-Q528 PolarHBondContact O-N 3.32Å; Q528-R530 VanDerWaalsContact C-N 3.32Å
529L58.2Low60.8Low143 Ų143125.8 Ų125.875%0.74965%0.648SS**Hα-helixtrans-73.4-20.6172.3-90.9141.1000113.4S525 I526 E527S525-L529 WeakPolarHBondContact O-CB 3.29Å; S525-L529 PolarHBondContact O-N 3.49Å; I526-L529 CarbonylContact O-C 3.58Å; I526-L529 PolarHBondContact O-N 3.16Å; E527-L529 VanDerWaalsContact C-N 3.3Å; E527-L529 PolarHBondContact O-N 3.42Å
530R58.8Low58.3Low186 Ų186130.5 Ų130.570%0.70267%0.667SS**Hα-helixtrans-88.8-7.6176-155.9-178.7-169.989.55.3113.2I526 E527 Q528 P532I526-R530 WeakPolarHBondContact O-CB 3.37Å; I526-R530 PolarHBondContact O-N 2.98Å; E527-R530 CarbonylContact O-C 3.5Å; E527-R530 WeakPolarHBondContact O-CA 3.5Å; E527-R530 PolarHBondContact O-N 3.01Å; Q528-R530 VanDerWaalsContact C-N 3.32Å; R530-P532 WeakPolarHBondContact O-CD 3.48Å
531Q48.2Very low55.8Low121 Ų121132.8 Ų132.857%0.56568%0.68SS**SBendtrans-108.172.4177.8-64-71.5-21.100110.7E527 S533E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.24Å; E527-Q531 PolarHBondContact O-N 3.49Å; E527-Q531 VanDerWaalsContact O-N 3.11Å; E527-Q531 PolarHBondContact OE1-NE2 3.4Å; E527-Q531 VanDerWaalsContact OE1-NE2 3.1Å; Q531-S533 PolarHBondContact O-N 2.9Å; Q531-S533 VanDerWaalsContact O-N 3.12Å
532P43.8Very low53.5Low98 Ų98136.4 Ų136.464%0.63669%0.694SS**  trans-69.7108.6174.930.1-34.1000110.6R530 T534R530-P532 WeakPolarHBondContact O-CD 3.48Å; P532-T534 PolarHBondContact O-N 3.31Å; P532-T534 PolarHBondContact O-OG1 3.17Å
533S43.8Very low51.1Low106 Ų106140.1 Ų140.174%0.74171%0.709SS**SBendtrans33.759.7150.2-167.40000118Q531Q531-S533 PolarHBondContact O-N 2.9Å; Q531-S533 VanDerWaalsContact O-N 3.12Å
534T40.2Very low48.7Very low132 Ų132144.6 Ų144.681%0.8172%0.722SS**  trans-121.634.3173.640.70000112.8P532P532-T534 PolarHBondContact O-N 3.31Å; P532-T534 PolarHBondContact O-OG1 3.17Å
535H38.1Very low46.8Very low177 Ų177145.1 Ų145.182%0.81973%0.726SS**SBendtrans-147.959.5169.3-168.2-61.5000111
536L41.4Very low44.9Very low161 Ų161150 Ų15084%0.84374%0.743SS**SBendtrans-142.210.4169-99.6-179.9000113.9
537Q36.9Very low42.7Very low186 Ų186154.2 Ų154.287%0.86976%0.761SS**  trans-148.360.2179.8-162165.42.600112
538E38.5Very low41.8Very low198 Ų198154.5 Ų154.593%0.92577%0.771SS**  trans-136.775.2160.7-79.8-163.9137.200109
539S39.6Very low40.1Very low99 Ų99155.3 Ų155.369%0.69277%0.772SS**SBendtrans-166.8119159.3-177.70000106.8
540E38.1Very low38.8Very low181 Ų181155 Ų15585%0.84677%0.767SS**SBendtrans66.9129.9-173.5-55.6167.4118.900111.8
541E36.2Very low37.5Very low191 Ų191154.4 Ų154.489%0.89377%0.772SS**  cis-131.8150.811.5-64173.9125.600111.9
542E39.3Very low36.7Very low178 Ų178154 Ų15483%0.83278%0.778SS**  trans-95118.7160-71-175.714500109
543Q33Very low36.2Very low167 Ų167157.4 Ų157.478%0.7879%0.785SS**  trans166.8153.3139.9-94.314675.300112.4
544E32.4Very low35.5Very low171 Ų171157.6 Ų157.680%0.79979%0.786SS**  trans63.1146.6159.9-70.4171.5-175.800118.4
545E33.6Very low35.1Very low148 Ų148159.3 Ų159.369%0.69279%0.787SS**  cis-157.2154.5-21.9-172.5159.4-145.400111.4
546Q31.8Very low34.7Very low156 Ų156158.2 Ų158.273%0.72978%0.783SS**  trans21.9108.1160.2-63.1171.256.100122.7
547Q30.7Very low34.2Very low190 Ų190158.6 Ų158.689%0.88878%0.78SS**  54.9-178.4117.4-114.2-162.186.800121
548P51.1Low33.9Very low101 Ų101156.1 Ų156.166%0.65677%0.773SS**  -128.8171.9-128.343.7-25.6000117.4
549K28.9Very low33.6Very low172 Ų172156.6 Ų156.675%0.74877%0.766SS**  trans167.3166.4149.4-98.2176.6175.4-74.70108.1
550E31.6Very low33.5Very low136 Ų136159.3 Ų159.364%0.63677%0.772SS**  cis171.1143.9-31.7-106.9173.3-167.100104.4
551E31.3Very low34.5Very low173 Ų173155.9 Ų155.981%0.80877%0.766SS**  trans65.4154.5163-62.7173.8179.400117.7
552T31.3Very low35.3Very low112 Ų112152.4 Ų152.469%0.68776%0.759SS**  cis-138148.610.5-22.80000112.8
553E31.9Very low34.8Very low170 Ų170148 Ų14879%0.79476%0.763SS**  trans13.6141.6155.2-63.4177.7125.100121.7
554S29.3Very low34.7Very low110 Ų110143.6 Ų143.677%0.76976%0.761SS**  -168.9148.760.734.30000115.6
555M31.7Very low34.7Very low168 Ų168141.7 Ų141.783%0.82876%0.761SS**  trans33.8109.3154-64.5177.8-178.900119.3
556Q31.3Very low34.7Very low155 Ų155141.5 Ų141.572%0.72476%0.763SS**  76.4126.681.7-171.11716.800112.1
557E30.2Very low34.8Very low168 Ų168144.5 Ų144.579%0.78577%0.768SS**  cis-142-173.229.1-155144.5-131.300116
558D30.4Very low34.7Very low135 Ų135144.5 Ų144.572%0.72277%0.765SS**  trans-86.4115.7-150.5-15839.1000117.1
559R31.9Very low33.6Very low207 Ų207147.9 Ų147.978%0.78177%0.772SS**  46.4101.8120.1-156.8-179.4-160.6-158.56.4121.4
560L37Very low33.8Very low157 Ų157144.9 Ų144.982%0.82277%0.768SS**  44.8160.4121.5-59.5179000122.4
561P58.8Low34Very low109 Ų109144.2 Ų144.271%0.70877%0.768SS**  cis-136.8-129.8-36.541-20.1000109.2
562P53.3Low34.2Very low117 Ų117141.2 Ų141.276%0.7677%0.766SS**  cis-125.8157.5-44.136.1-20.6000115.8
563G29.7Very low34.5Very low87 Ų87141.4 Ų141.490%0.89777%0.772SS**  trans98.4151.8138.500000120.3
564G31.3Very low34.7Very low73 Ų73138.5 Ų138.575%0.75377%0.77SS**  trans122.280.3154.500000120.8
565V31.1Very low34.8Very low131 Ų131138 Ų13879%0.79477%0.767SS**  56.6103.8119.8176.90000120.6
566I34.7Very low34.8Very low145 Ų145135 Ų13574%0.74476%0.763SS**  trans88.6127.9131-73.6-178.5000123.8
567R32.9Very low34.9Very low219 Ų219133.6 Ų133.683%0.82677%0.77SS**  trans78.3111148.6-88.1169.3-175.6-160.61.6124.9
568K30Very low35Very low189 Ų189129.4 Ų129.482%0.82277%0.772SS**  69.1131119-74.2-165.2171.9-153.50123.4
569H27.2Very low34.9Very low173 Ų173128.7 Ų128.780%0.80178%0.777SS**  trans-85.5146.7168.4-71-75.8000111.8
570T33.3Very low34.9Very low108 Ų108124 Ų12466%0.66378%0.776SS**  cis75127.847.262.70000113.7
571L35.7Very low34.7Very low122 Ų122122.5 Ų122.564%0.63978%0.779SS**  cis-139.3-178.64.1-92.1147.3000109.3V594L571-V594 HydrophobicContact CD1-CG1 4.12Å
572S35.7Very low33.4Very low110 Ų110121.1 Ų121.177%0.76978%0.784SS**  cis61.1142.148.7-44.10000115.2
573S37.1Very low32.4Very low116 Ų116124.9 Ų124.981%0.81179%0.792SS**  cis-139.6-154.415.356.40000111
574S35.3Very low32.8Very low109 Ų109128.1 Ų128.176%0.76279%0.788SS**  cis-154.3-15612.149.10000109.3
575S32.1Very low33.6Very low101 Ų101130 Ų13071%0.70679%0.787SS**  cis-162.2-172.69.975.90000114.2
576S32.3Very low33.5Very low104 Ų104131.3 Ų131.373%0.72779%0.789SS**  trans76.28916571.40000122.1
577S32.6Very low33.3Very low125 Ų125127.7 Ų127.787%0.87478%0.781SS**  trans40123.8131.759.20000123.9
578G32Very low33.2Very low80 Ų80125.7 Ų125.783%0.82578%0.78SS**  trans-176138.4155.400000111.3
579S30.1Very low33.2Very low120 Ų120122.3 Ų122.384%0.83978%0.78SS**  trans-125.9145.9-164.1-54.30000114.9
580S31Very low33.4Very low109 Ų109117.8 Ų117.876%0.76278%0.78SS**  156.3150.9116.557.20000116.3
581S32.5Very low33.2Very low126 Ų126119.5 Ų119.588%0.88179%0.79SS**  trans70.8145.1157.772.80000121
582G32.8Very low33.1Very low79 Ų79121.5 Ų121.581%0.81480%0.799SS**  trans120.5126175.500000113.4
583E31.4Very low33.2Very low196 Ų196125.9 Ų125.992%0.91680%0.804SS**  trans-101.8158-172-71.5-173.6107.900115.9
584L37.3Very low32.9Very low155 Ų155125.9 Ų125.981%0.81280%0.799SS**  trans-31.4170164.2-61.5167.6000118.1
585P49.8Very low33Very low114 Ų114128.9 Ų128.974%0.7480%0.799SS**  cis-141.5172.6-39.139.2-24000113.6
586D27.4Very low33.2Very low158 Ų158131.7 Ų131.785%0.84580%0.8SS**  -169.6167.2119.4-156.711000112.9
587A31Very low33.2Very low68 Ų68135.2 Ų135.256%0.56281%0.806SS**  trans69.886.3149.100000121.5
588H30.5Very low33.7Very low177 Ų177134.9 Ų134.982%0.81980%0.8SS**  83.3118.6128.7-77.7-79.5000124.3
589C30.1Very low33.9Very low119 Ų119135.4 Ų135.480%0.80480%0.797SS**  trans76.6100.3133.9-700000122.2
590G32.1Very low34.1Very low78 Ų78137.2 Ų137.280%0.80480%0.797SS**  103.1100.411300000118.2
591V27.7Very low34.5Very low143 Ų143135.7 Ų135.787%0.86779%0.786SS**  trans-125.2137.2172.7176.40000110.5
592I34.8Very low35.1Very low165 Ų165138 Ų13885%0.84678%0.783SS**  trans-123.4148.7169.3-63-178.7000109.1
593K36.8Very low35.4Very low201 Ų201140.3 Ų140.387%0.87478%0.777SS**  trans-86.2159.9-163.7-63.8173.9178.5174.90114
594V30.5Very low36.1Very low116 Ų116137.7 Ų137.770%0.70377%0.765SS**  trans-114.8149167.6176.60000109.4L571L571-V594 HydrophobicContact CD1-CG1 4.12Å
595K38Very low36.4Very low173 Ų173134.4 Ų134.475%0.75276%0.76SS**  trans-148.1106.3173.2-177.3172169.478.80106.3
596E37.3Very low36.2Very low159 Ų159135.6 Ų135.674%0.74376%0.759SS**  93.2133.287.2-165.1-178.9178.200111.4
597E31.6Very low37.2Very low179 Ų179131.3 Ų131.384%0.83674%0.739SS**  trans-135.5154.4-171.3179.6-163.7-115.600108.8
598P43.2Very low37.7Very low117 Ų117132.8 Ų132.876%0.7674%0.738SS**  trans-123.7126.1163.635.7-21.8000115.6
599A35.7Very low38.7Very low91 Ų91134.2 Ų134.275%0.75274%0.736SS**  trans70.7102.213300000122.5
600D35.3Very low39.6Very low159 Ų159136.9 Ų136.985%0.8573%0.729SS**  80126.6109.8-146.215000121.7
601S38.7Very low40.5Very low76 Ų76138.1 Ų138.153%0.53172%0.717SS.*  156.3146.8109.1-156.60000116.5
602E44.2Very low41.7Very low174 Ų174138.4 Ų138.481%0.81371%0.709SS**  trans35.9110.6152.568.9-148.3118.900125.2
603D40.2Very low42.4Very low128 Ų128133.7 Ų133.768%0.68469%0.69SS**  trans-160.1-20140-153.914.1000115.4A605D603-A605 PolarHBondContact O-N 3.18Å
604E45.3Very low43.1Very low141 Ų141129 Ų12966%0.65967%0.671SS**THydrogen-bonded Turntrans-66.4-0.5-175.1-86.6-71.4174.400116.7T607 N608E604-T607 PolarHBondContact O-OG1 3.39Å; E604-T607 VanDerWaalsContact O-OG1 3.09Å; E604-T607 PolarHBondContact OE2-OG1 3.23Å; E604-N608 PolarHBondContact O-ND2 3.42Å
605A44Very low43.9Very low87 Ų87130.5 Ų130.572%0.71967%0.67SS**Hα-helixtrans-74.4-24.8-177.800000113.8D603D603-A605 PolarHBondContact O-N 3.18Å
606L45.5Very low44.5Very low138 Ų138126 Ų12672%0.72366%0.661SS**Hα-helixtrans-87.9-23.7-171.8-64.2176.5000113.9
607T48.4Very low45.3Very low69 Ų69122.8 Ų122.842%0.42365%0.652SS.*Hα-helixtrans-68.3-50.9-177.553.60000111.6E604 R609 R610E604-T607 PolarHBondContact O-OG1 3.39Å; E604-T607 VanDerWaalsContact O-OG1 3.09Å; E604-T607 PolarHBondContact OE2-OG1 3.23Å; T607-R609 PolarHBondContact O-N 3.03Å; T607-R610 PolarHBondContact O-N 3.18Å
608N42.6Very low46.2Very low98 Ų98122 Ų12252%0.52464%0.643SS.*Hα-helixtrans-64.4-41.5-170.9-71.7-76000113.3E604 R610 L611E604-N608 PolarHBondContact O-ND2 3.42Å; N608-R610 PolarHBondContact O-N 3.32Å; N608-R610 VanDerWaalsContact O-N 3.13Å; N608-L611 PolarHBondContact O-N 3.29Å
609R50.1Low46.5Very low208 Ų208122.1 Ų122.179%0.78564%0.636SS**Hα-helixtrans-59.1-26.5177.7176.2172.2-79-135.7-1.3113.2T607T607-R609 PolarHBondContact O-N 3.03Å
610R49.1Very low47.3Very low175 Ų175124.8 Ų124.866%0.6663%0.633SS**Hα-helixtrans-74-42.9178.3-170.4173.7-179.9160.83.7111.9T607 N608 E612 S613 E614T607-R610 PolarHBondContact O-N 3.18Å; N608-R610 PolarHBondContact O-N 3.32Å; N608-R610 VanDerWaalsContact O-N 3.13Å; R610-E612 PolarHBondContact O-N 2.95Å; R610-S613 WeakPolarHBondContact O-CB 3.33Å; R610-S613 PolarHBondContact O-N 3.08Å; R610-S613 PolarHBondContact O-OG 3.13Å; R610-E614 IonicContact NE-OE1 3.5Å
611L51.8Low48Very low104 Ų104123.3 Ų123.355%0.54562%0.621SS.*Hα-helixtrans-68-33.3-173.4-64.5174000113N608 S613 E614 Q615N608-L611 PolarHBondContact O-N 3.29Å; L611-S613 VanDerWaalsContact C-N 3.28Å; L611-S613 PolarHBondContact O-N 3.32Å; L611-E614 PolarHBondContact O-N 3.41Å; L611-Q615 PolarHBondContact O-N 3.39Å
612E51.9Low48.7Very low149 Ų149122.9 Ų122.970%0.69662%0.615SS**Hα-helixtrans-63.2-33.3174.9-63.9-173.1139.600112.5R610 E614 S616R610-E612 PolarHBondContact O-N 2.95Å; E612-E614 VanDerWaalsContact C-N 3.34Å; E612-E614 PolarHBondContact O-N 3.29Å; E612-S616 WeakPolarHBondContact O-CB 3.46Å; E612-S616 PolarHBondContact O-N 3.31Å; E612-S616 VanDerWaalsContact O-N 3.14Å
613S49.7Very low49Very low65 Ų65122.1 Ų122.146%0.45561%0.609SS.*Hα-helixtrans-68.5-31.4178.877.80000113.2R610 L611 T617R610-S613 WeakPolarHBondContact O-CB 3.33Å; R610-S613 PolarHBondContact O-N 3.08Å; R610-S613 PolarHBondContact O-OG 3.13Å; L611-S613 VanDerWaalsContact C-N 3.28Å; L611-S613 PolarHBondContact O-N 3.32Å; S613-T617 PolarHBondContact O-N 3.34Å; S613-T617 PolarHBondContact O-OG1 3.48Å
614E51.7Low49.5Very low104 Ų104117.9 Ų117.949%0.48660%0.595SS.*Hα-helixtrans-81.7-32.7-179.4-65.6-177.6175.900111.8R610 L611 E612 T617 Y618R610-E614 IonicContact NE-OE1 3.5Å; L611-E614 PolarHBondContact O-N 3.41Å; E612-E614 VanDerWaalsContact C-N 3.34Å; E612-E614 PolarHBondContact O-N 3.29Å; E614-T617 PolarHBondContact O-OG1 3.2Å; E614-T617 VanDerWaalsContact O-OG1 3.1Å; E614-Y618 PolarHBondContact O-N 3.43Å
615Q48.2Very low49.6Very low146 Ų146120 Ų12068%0.68260%0.597SS**Hα-helixtrans-68.1-40169.5-71.4-16428.400112.7L611 T617 Y618 L619L611-Q615 PolarHBondContact O-N 3.39Å; Q615-T617 VanDerWaalsContact C-N 3.35Å; Q615-T617 PolarHBondContact O-N 2.97Å; Q615-Y618 PolarHBondContact O-N 2.89Å; Q615-L619 PolarHBondContact O-N 3.07Å
616S50.8Low50Low78 Ų78121.8 Ų121.855%0.54559%0.594SS.*Hα-helixtrans-60-42.9178.8-1760000112.3E612 H620E612-S616 WeakPolarHBondContact O-CB 3.46Å; E612-S616 PolarHBondContact O-N 3.31Å; E612-S616 VanDerWaalsContact O-N 3.14Å; S616-H620 PolarHBondContact O-N 3.4Å
617T53Low50.3Low92 Ų92120.1 Ų120.156%0.56459%0.589SS**Hα-helixtrans-69.3-34.9178.240.60000113.2S613 E614 Q615 H620 Q621S613-T617 PolarHBondContact O-N 3.34Å; S613-T617 PolarHBondContact O-OG1 3.48Å; E614-T617 PolarHBondContact O-OG1 3.2Å; E614-T617 VanDerWaalsContact O-OG1 3.1Å; Q615-T617 VanDerWaalsContact C-N 3.35Å; Q615-T617 PolarHBondContact O-N 2.97Å; T617-H620 PolarHBondContact O-N 3.49Å; T617-Q621 PolarHBondContact O-N 2.95Å; T617-Q621 VanDerWaalsContact O-N 3.13Å
618Y50.1Low50.3Low163 Ų163122.9 Ų122.964%0.63960%0.6SS**Hα-helixtrans-63.4-46.4174.3-172-102.8000112.4E614 Q615 H620 Q621 V622E614-Y618 PolarHBondContact O-N 3.43Å; Q615-Y618 PolarHBondContact O-N 2.89Å; Y618-H620 VanDerWaalsContact C-N 3.28Å; Y618-H620 PolarHBondContact O-N 2.97Å; Y618-Q621 PolarHBondContact O-N 3.14Å; Y618-Q621 VanDerWaalsContact O-N 3.16Å; Y618-V622 HydrophobicContact CD1-CG2 4.46Å; Y618-V622 HydrophobicContact CE1-CG2 4.13Å; Y618-V622 PolarHBondContact O-N 3.06Å; Y618-V622 VanDerWaalsContact O-N 3.14Å
619L51.3Low50.6Low119 Ų119129.1 Ų129.162%0.62362%0.617SS**Hα-helixtrans-60.5-36.4176.1-89163.6000112.7Q615 V622 K623Q615-L619 PolarHBondContact O-N 3.07Å; L619-V622 PolarHBondContact O-N 3.33Å; L619-K623 PolarHBondContact O-N 2.8Å
620H51.1Low50.6Low147 Ų147123.1 Ų123.168%0.68161%0.611SS**Hα-helixtrans-65-42175.7-143.7137.1000111.7S616 T617 Y618 V622 K623 G624S616-H620 PolarHBondContact O-N 3.4Å; T617-H620 PolarHBondContact O-N 3.49Å; Y618-H620 VanDerWaalsContact C-N 3.28Å; Y618-H620 PolarHBondContact O-N 2.97Å; H620-V622 PolarHBondContact O-N 3.31Å; H620-K623 PolarHBondContact O-N 3.14Å; H620-G624 PolarHBondContact O-N 3.29Å
621Q50.8Low50.7Low129 Ų129122.9 Ų122.960%0.60362%0.62SS**Hα-helixtrans-66.9-34.3179.5-169.9172.992.700112.9T617 Y618 R625T617-Q621 PolarHBondContact O-N 2.95Å; T617-Q621 VanDerWaalsContact O-N 3.13Å; Y618-Q621 PolarHBondContact O-N 3.14Å; Y618-Q621 VanDerWaalsContact O-N 3.16Å; Q621-R625 PolarHBondContact O-N 2.9Å
622V52.7Low50.5Low66 Ų66128.6 Ų128.640%0.465%0.649SS.*Hα-helixtrans-67-44.5173.7176.80000111.1Y618 L619 H620 G624 R625 L626Y618-V622 HydrophobicContact CD1-CG2 4.46Å; Y618-V622 HydrophobicContact CE1-CG2 4.13Å; Y618-V622 PolarHBondContact O-N 3.06Å; Y618-V622 VanDerWaalsContact O-N 3.14Å; L619-V622 PolarHBondContact O-N 3.33Å; H620-V622 PolarHBondContact O-N 3.31Å; V622-G624 VanDerWaalsContact C-N 3.34Å; V622-G624 PolarHBondContact O-N 3.15Å; V622-R625 PolarHBondContact O-N 3.38Å; V622-L626 HydrophobicContact CG1-CD1 4.37Å; V622-L626 PolarHBondContact O-N 3.04Å
623K51.1Low50.4Low158 Ų158127.6 Ų127.669%0.68765%0.646SS**Hα-helixtrans-58.8-43174.7-97.1-178.6174177.40112.5L619 H620 R625 L626 V627L619-K623 PolarHBondContact O-N 2.8Å; H620-K623 PolarHBondContact O-N 3.14Å; K623-R625 PolarHBondContact O-N 2.92Å; K623-L626 PolarHBondContact O-N 3.4Å; K623-V627 PolarHBondContact O-N 3.37Å
624G49.8Very low50.4Low39 Ų39130.9 Ų130.940%0.40266%0.656SS.*Hα-helixtrans-58.7-30.6177.300000114.2H620 V622H620-G624 PolarHBondContact O-N 3.29Å; V622-G624 VanDerWaalsContact C-N 3.34Å; V622-G624 PolarHBondContact O-N 3.15Å
625R49.1Very low50.4Low186 Ų186132.4 Ų132.470%0.70267%0.666SS**Hα-helixtrans-83.8-22.3177.7-71.3-170.8175.4-156.5-0.4114.5Q621 V622 K623Q621-R625 PolarHBondContact O-N 2.9Å; V622-R625 PolarHBondContact O-N 3.38Å; K623-R625 PolarHBondContact O-N 2.92Å
626L50.9Low50.5Low125 Ų125131.6 Ų131.665%0.65467%0.665SS**Hα-helixtrans-71.1-35.6171.5-95.669.1000111.7V622 K623 I628 R629V622-L626 HydrophobicContact CG1-CD1 4.37Å; V622-L626 PolarHBondContact O-N 3.04Å; K623-L626 PolarHBondContact O-N 3.4Å; L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.33Å; L626-R629 PolarHBondContact O-N 3.44Å; L626-R629 VanDerWaalsContact O-N 3.13Å
627V52.4Low50.5Low102 Ų102134.9 Ų134.962%0.61867%0.672SS**Hα-helixtrans-61.8-39.3179.5175.40000112.3K623 R629 A630K623-V627 PolarHBondContact O-N 3.37Å; V627-R629 PolarHBondContact O-N 3.04Å; V627-A630 PolarHBondContact O-N 3.43Å
628I47.9Very low50.3Low128 Ų128137.8 Ų137.866%0.65668%0.68SS**Hα-helixtrans-69.2-23.8178.7-61.3174.9000111.7L626 A630L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.33Å; I628-A630 PolarHBondContact O-N 3.13Å
629R48.5Very low50.3Low229 Ų229136 Ų13686%0.86468%0.682SS**THydrogen-bonded Turntrans-85.313.9177.9-148.8-178.9-176.9-179.30.4113.7L626 V627L626-R629 PolarHBondContact O-N 3.44Å; L626-R629 VanDerWaalsContact O-N 3.13Å; V627-R629 PolarHBondContact O-N 3.04Å
630A51.7Low50.3Low82 Ų82137.3 Ų137.368%0.67869%0.687SS**THydrogen-bonded Turntrans-119.416.8175.500000113.1V627 I628V627-A630 PolarHBondContact O-N 3.43Å; I628-A630 PolarHBondContact O-N 3.13Å
631M49.9Very low50.2Low170 Ų170136.5 Ų136.584%0.83769%0.688SS**  trans-130.826.9178.5-70.2-16669.200113.4
632I47.7Very low50.1Low224 Ų224137.2 Ų137.2100%1.14970%0.695SS**  trans-140.60169.6-50.6179.7000107.7

Retrieved 632 of 632 residues in 134.5 ms (Link to these results)