A0A096N218_PAPAN Loading...

Transforming acidic coiled-coil-containing protein C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096N218, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 806 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.3Very low58.2Low229 Ų229121.1 Ų121.1100%1.12866%0.658SS**  0128.10-64.1168-176.800106.9
2A43.1Very low59.6Low105 Ų105120.3 Ų120.387%0.86866%0.66SS**PPolyproline II helixtrans-88.1126.9176.100000109.1
3F45.7Very low61.1Low157 Ų157118.8 Ų118.869%0.68965%0.645SS**PPolyproline II helixtrans-84.7134.8173.6-74.1-87.2000109.8
4S49.5Very low62.5Low68 Ų68120.1 Ų120.148%0.47664%0.636SS.*PPolyproline II helixtrans-71.1135.2176.8-69.10000110.1W6 Q7S4-W6 PolarHBondContact O-N 3.18Å; S4-Q7 PolarHBondContact O-N 2.91Å
5P53.4Low63.5Low106 Ų106115.5 Ų115.569%0.68862%0.621SS**G310 helixtrans-53.1-27.7-173.7-30.535.9000115.4Q7P5-Q7 PolarHBondContact O-N 3.23Å
6W55.7Low64.2Low164 Ų164118.1 Ų118.162%0.62163%0.626SS**G310 helixtrans-65.9-17.7179.5-54.299.6000115S4 W17S4-W6 PolarHBondContact O-N 3.18Å; W6-W17 HydrophobicContact CH2-CH2 4.21Å; W6-W17 HydrophobicContact CH2-CZ2 4.11Å; W6-W17 HydrophobicContact CZ3-CH2 4.08Å; W6-W17 HydrophobicContact CZ3-CZ2 4.13Å; W6-W17 HydrophobicContact CZ3-CZ3 4.46Å
7Q59.9Low64.9Low138 Ų138119.1 Ų119.165%0.64562%0.619SS**G310 helixtrans-85.9-1.5-175-63.3-176-72.700114.5S4 P5S4-Q7 PolarHBondContact O-N 2.91Å; P5-Q7 PolarHBondContact O-N 3.23Å
8I63.6Low65.3Low137 Ų137114.9 Ų114.970%0.70360%0.599SS**SBendtrans-104.6-10-173.7-57.4175.3000112S10I8-S10 PolarHBondContact O-N 3.47Å
9L69.7Low65.4Low67 Ų67118.3 Ų118.335%0.35160%0.604SS.*  trans-77.4120.7-175.5-67170000112.4Q13L9-Q13 HydrophobicContact CB-CB 4.41Å; L9-Q13 HydrophobicContact CD2-CB 3.94Å
10S76.7Confident65.5Low52 Ų52116.5 Ų116.536%0.36460%0.602SS.*  trans-58.7149.1167.7167.10000111.1I8 V12 Q13 W14I8-S10 PolarHBondContact O-N 3.47Å; S10-V12 PolarHBondContact O-N 2.84Å; S10-V12 PolarHBondContact OG-N 2.81Å; S10-Q13 WeakPolarHBondContact O-CA 3.19Å; S10-Q13 WeakPolarHBondContact O-CB 3.12Å; S10-Q13 PolarHBondContact O-N 3.21Å; S10-W14 PolarHBondContact O-N 2.8Å
11P77.3Confident65.6Low109 Ų109114.1 Ų114.171%0.70860%0.599SS**Hα-helixtrans-50.8-33.8175.7-29.235.9000114W14 A15P11-W14 WeakPolarHBondContact O-CB 3.21Å; P11-W14 PolarHBondContact O-N 3.4Å; P11-A15 PolarHBondContact O-N 3.29Å
12V75.4Confident66.6Low112 Ų112109.2 Ų109.268%0.67958%0.582SS**Hα-helixtrans-67.9-35.9175.9-177.70000111.8S10 K16S10-V12 PolarHBondContact O-N 2.84Å; S10-V12 PolarHBondContact OG-N 2.81Å; V12-K16 PolarHBondContact O-N 3.25Å
13Q79.3Confident67.3Low100 Ų100114 Ų11447%0.46758%0.578SS.*Hα-helixtrans-73-34.5175.1-64.1173.8-58.100111.5L9 S10 K16 W17L9-Q13 HydrophobicContact CB-CB 4.41Å; L9-Q13 HydrophobicContact CD2-CB 3.94Å; S10-Q13 WeakPolarHBondContact O-CA 3.19Å; S10-Q13 WeakPolarHBondContact O-CB 3.12Å; S10-Q13 PolarHBondContact O-N 3.21Å; Q13-K16 PolarHBondContact O-N 2.95Å; Q13-W17 WeakPolarHBondContact O-CB 3.47Å; Q13-W17 PolarHBondContact O-N 2.96Å
14W79.8Confident67.1Low138 Ų138109.1 Ų109.152%0.52357%0.572SS.*Hα-helixtrans-62-43.1172.3-132.393.6000111.6S10 P11 T18S10-W14 PolarHBondContact O-N 2.8Å; P11-W14 WeakPolarHBondContact O-CB 3.21Å; P11-W14 PolarHBondContact O-N 3.4Å; W14-T18 HydrophobicContact CE3-CG2 3.73Å; W14-T18 HydrophobicContact CZ3-CG2 3.63Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.18Å; W14-T18 VanDerWaalsContact O-N 3.09Å; W14-T18 PolarHBondContact O-OG1 3.22Å
15A78.1Confident66.5Low50 Ų50110 Ų11041%0.41359%0.592SS.*Hα-helixtrans-62.9-42.8172.200000112.1P11 T18 W19P11-A15 PolarHBondContact O-N 3.29Å; A15-T18 PolarHBondContact O-OG1 2.65Å; A15-W19 VanDerWaalsContact O-CD1 3.29Å; A15-W19 PolarHBondContact O-N 2.88Å; A15-W19 VanDerWaalsContact O-N 3.09Å
16K74.6Confident66Low158 Ų158110 Ų11069%0.68760%0.601SS**Hα-helixtrans-68.4-39.4179.6-150.1178.278.7166.30112.7V12 Q13 W19 S20V12-K16 PolarHBondContact O-N 3.25Å; Q13-K16 PolarHBondContact O-N 2.95Å; K16-W19 PolarHBondContact O-N 3.02Å; K16-S20 PolarHBondContact O-N 3.38Å; K16-S20 PolarHBondContact O-OG 2.92Å
17W75.7Confident65.2Low135 Ų135107 Ų10751%0.51161%0.611SS.*Hα-helixtrans-66-44.8177.7-174.877.8000112.1W6 Q13 W19 S20 A21W6-W17 HydrophobicContact CH2-CH2 4.21Å; W6-W17 HydrophobicContact CH2-CZ2 4.11Å; W6-W17 HydrophobicContact CZ3-CH2 4.08Å; W6-W17 HydrophobicContact CZ3-CZ2 4.13Å; W6-W17 HydrophobicContact CZ3-CZ3 4.46Å; Q13-W17 WeakPolarHBondContact O-CB 3.47Å; Q13-W17 PolarHBondContact O-N 2.96Å; W17-W19 PolarHBondContact O-N 3.49Å; W17-S20 PolarHBondContact O-N 3.32Å; W17-A21 WeakPolarHBondContact O-CB 3.25Å; W17-A21 PolarHBondContact O-N 3.32Å
18T73.1Confident64Low44 Ų44104.2 Ų104.227%0.2762%0.62SS.*Hα-helixtrans-63.4-38.7175.646.80000112.4W14 A15 A21 V22W14-T18 HydrophobicContact CE3-CG2 3.73Å; W14-T18 HydrophobicContact CZ3-CG2 3.63Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.18Å; W14-T18 VanDerWaalsContact O-N 3.09Å; W14-T18 PolarHBondContact O-OG1 3.22Å; A15-T18 PolarHBondContact O-OG1 2.65Å; T18-A21 PolarHBondContact O-N 3.3Å; T18-V22 WeakPolarHBondContact O-CB 3.45Å; T18-V22 VanDerWaalsContact O-CG2 3.24Å; T18-V22 WeakPolarHBondContact O-CG2 3.27Å; T18-V22 PolarHBondContact O-N 3.12Å
19W65.9Low63.2Low179 Ų179106.6 Ų106.668%0.67863%0.628SS**Hα-helixtrans-65.3-39.2173.7-90.572.1000113.8A15 K16 W17 R23A15-W19 VanDerWaalsContact O-CD1 3.29Å; A15-W19 PolarHBondContact O-N 2.88Å; A15-W19 VanDerWaalsContact O-N 3.09Å; K16-W19 PolarHBondContact O-N 3.02Å; W17-W19 PolarHBondContact O-N 3.49Å; W19-R23 PolarHBondContact O-N 2.87Å
20S67.6Low61.9Low81 Ų81111.7 Ų111.757%0.56666%0.655SS**Hα-helixtrans-67-40173.8-71.90000112.4K16 W17 V22K16-S20 PolarHBondContact O-N 3.38Å; K16-S20 PolarHBondContact O-OG 2.92Å; W17-S20 PolarHBondContact O-N 3.32Å; S20-V22 PolarHBondContact O-N 2.92Å
21A68.4Low60.3Low67 Ų67117.9 Ų117.955%0.55468%0.679SS**Hα-helixtrans-65.1-37.3176.800000112.6W17 T18W17-A21 WeakPolarHBondContact O-CB 3.25Å; W17-A21 PolarHBondContact O-N 3.32Å; T18-A21 PolarHBondContact O-N 3.3Å
22V66.3Low58.5Low127 Ų127117.3 Ų117.377%0.7768%0.683SS**Hα-helixtrans-73.4-25-177.1164.70000113.9T18 S20T18-V22 WeakPolarHBondContact O-CB 3.45Å; T18-V22 VanDerWaalsContact O-CG2 3.24Å; T18-V22 WeakPolarHBondContact O-CG2 3.27Å; T18-V22 PolarHBondContact O-N 3.12Å; S20-V22 PolarHBondContact O-N 2.92Å
23R57.9Low56.4Low204 Ų204116 Ų11677%0.7769%0.693SS**Hα-helixtrans-99.4-5-178.4-148.1-169.9-75.3-156.2-2.6115.3W19W19-R23 PolarHBondContact O-N 2.87Å
24G40.4Very low54Low55 Ų55114.9 Ų114.957%0.56771%0.708SS**  trans79.9125.3176.400000114A26G24-A26 PolarHBondContact O-N 3.07Å
25G37.5Very low52.8Low87 Ų87114.3 Ų114.390%0.89772%0.721SS**  trans-83.2100.8172.500000111.1
26A43.8Very low50.7Low107 Ų107121.3 Ų121.388%0.88475%0.746SS**  trans-119.17616700000109G24G24-A26 PolarHBondContact O-N 3.07Å
27A38.4Very low48.6Very low99 Ų99117.6 Ų117.682%0.81875%0.752SS**  trans-126.5111.3169.100000106.7
28G35.2Very low46.5Very low81 Ų81118.9 Ų118.984%0.83577%0.769SS**  trans-95.6140.8171.200000109.6
29E45.7Very low46.1Very low186 Ų186121.6 Ų121.687%0.86979%0.788SS**  trans-111.4122.1167.8-64.5177.2133.700107.1
30D42.8Very low44.4Very low174 Ų174121.9 Ų121.993%0.9380%0.796SS**  trans-177.1161.6139-97.5-24.1000110.3
31E43.1Very low42.7Very low183 Ų183127 Ų12786%0.85581%0.811SS**  trans-124159.2-148-148-170171.800115.7
32A40.2Very low40.9Very low96 Ų96132.2 Ų132.279%0.79382%0.824SS**  trans65.3129.9150.500000121.9
33G31Very low39.2Very low86 Ų86132.9 Ų132.989%0.88782%0.824SS**  trans152.5104.9159.100000115.8
34G28Very low38.1Very low76 Ų76126.5 Ų126.578%0.78481%0.81SS**  trans-111-158.6164.400000111.5
35P56Low37.6Very low125 Ų125132.5 Ų132.581%0.81282%0.824SS**  cis-136.3-144.63.641.5-20.1000113
36E33.3Very low37.3Very low198 Ų198132 Ų13293%0.92581%0.811SS**  trans74.4139.9177.9-54.4-169.2133.200116.3
37G31Very low36.7Very low80 Ų80135.1 Ų135.183%0.82581%0.807SS**  cis-153.1176.71.100000113
38D31.2Very low36.4Very low161 Ų161135.1 Ų135.186%0.86180%0.797SS**  trans-114.5-159.6-159.3-145.115.7000112.6
39P63.5Low36.5Very low102 Ų102139.9 Ų139.966%0.66280%0.795SS**  -130161-129.139.9-19.4000117.6
40E31.2Very low36Very low184 Ų184136.4 Ų136.486%0.8679%0.791SS**  trans-149.2142.6165.1-75-172.8175.600109.6
41E32.3Very low35.5Very low189 Ų189135.8 Ų135.888%0.88379%0.787SS**  cis-149.9177.1-14.8-140.6-174.9-165.900110.3
42E29.3Very low35Very low177 Ų177131.4 Ų131.483%0.82778%0.776SS**  trans-104.4-169-170.2-147.6-179.715900113
43D31.5Very low34.4Very low141 Ų141136.7 Ų136.775%0.75478%0.782SS**  trans70.5146.1159.4-105.45.7000119.4
44S35.3Very low34.4Very low70 Ų70137.1 Ų137.149%0.4977%0.772SS.*  cis-163.8160.3-15.7-140.60000112.3
45Q29.4Very low34.8Very low181 Ų181138.3 Ų138.385%0.84677%0.768SS**  trans61.5154.8145.1-77.1169.237.800120.1
46A30.5Very low33.5Very low77 Ų77139 Ų13964%0.63677%0.765SS**  cis-151.6149.1-8.500000112.4
47E32.3Very low33.9Very low172 Ų172135.1 Ų135.180%0.80476%0.759SS**  trans29.6136.2139.8-51.7-168.5138.700122.3
48T32.2Very low34Very low98 Ų98141 Ų14160%0.60177%0.765SS**  -179.3141.69032.40000114.2
49K37Very low34.3Very low182 Ų182136.6 Ų136.679%0.79176%0.758SS**  trans65.5132.5161.5-54.6138.5-168.9153.30115.3
50S35.2Very low33.1Very low112 Ų112136.7 Ų136.778%0.78375%0.753SS**  cis-144.7174.518.9-490000109.8
51L32.6Very low33.2Very low161 Ų161138.2 Ų138.284%0.84376%0.757SS**  cis-142.6-152.16.8-142.5177000108.2
52S31.8Very low33.5Very low91 Ų91136.1 Ų136.164%0.63675%0.747SS**  trans-152141179.346.80000111.9
53F28.1Very low34.4Very low207 Ų207133.2 Ų133.291%0.90874%0.742SS**  -176160.2127.7-118.7-88.7000111.4
54S30.9Very low35.4Very low96 Ų96132.8 Ų132.867%0.67175%0.747SS**  trans-129.9145.9-176.653.30000111.2
55S36.5Very low35.4Very low100 Ų100137.1 Ų137.170%0.69976%0.759SS**  trans-172.7120.1152.4-103.30000113.4
56D29.4Very low35.7Very low141 Ų141133.4 Ų133.475%0.75476%0.759SS**  56.5154.4118.4-41.8-39.1000124.6
57S40.7Very low35.9Very low116 Ų116138 Ų13881%0.81177%0.768SS**  trans84.1121.4171.4-44.40000116.2
58E33.5Very low36.4Very low203 Ų203135.6 Ų135.695%0.94977%0.765SS**  cis93.913824-161.5175.5106.200114.5
59G37.9Very low37.5Very low69 Ų69136 Ų13671%0.71177%0.769SS**  trans95.790.2-173.400000112.7
60N37.8Very low37.1Very low103 Ų103134 Ų13455%0.55177%0.766SS**  cis68.512046.4-168.522.4000115.3E62N60-E62 VanDerWaalsContact ND2-CD 3.28Å; N60-E62 PolarHBondContact ND2-OE2 2.8Å; N60-E62 VanDerWaalsContact OD1-CG 3.3Å; N60-E62 WeakPolarHBondContact OD1-CG 3.49Å; N60-E62 PolarHBondContact OD1-N 3.3Å; N60-E62 PolarHBondContact OD1-OE2 3.38Å
61F33.7Very low36.8Very low217 Ų217137.6 Ų137.695%0.95277%0.77SS**  trans-145.9127.1135.7-116.8-75.6000110.1
62E38.1Very low36.8Very low145 Ų145135 Ų13568%0.67877%0.766SS**PPolyproline II helixtrans-95.3158.4-163.4-91.6142.9156.400116.2N60N60-E62 VanDerWaalsContact ND2-CD 3.28Å; N60-E62 PolarHBondContact ND2-OE2 2.8Å; N60-E62 VanDerWaalsContact OD1-CG 3.3Å; N60-E62 WeakPolarHBondContact OD1-CG 3.49Å; N60-E62 PolarHBondContact OD1-N 3.3Å; N60-E62 PolarHBondContact OD1-OE2 3.38Å
63T47.1Very low37.7Very low116 Ų116135.6 Ų135.671%0.71277%0.767SS**PPolyproline II helixtrans-64.1143.4153.132.20000111.7E65T63-E65 PolarHBondContact O-N 2.88Å
64P52.6Low37.5Very low132 Ų132135.4 Ų135.486%0.85777%0.767SS**PPolyproline II helixtrans-64.6126.4160.7-16.931.3000110.7
65E35.4Very low37.5Very low160 Ų160137.5 Ų137.575%0.74876%0.763SS**PPolyproline II helixtrans-79.6165.8179.9-52.9153.6102.900112.9T63T63-E65 PolarHBondContact O-N 2.88Å
66A35.7Very low37Very low103 Ų103140.1 Ų140.185%0.85177%0.765SS**  -158.2131.8128.300000109.4
67E34.5Very low36.9Very low173 Ų173138.5 Ų138.581%0.80877%0.765SS**  trans-93.9164.7-167.8-58.4-176.299.100115.5
68T44.4Very low36.1Very low123 Ų123138.4 Ų138.476%0.75576%0.763SS**  trans-62.2176.8151.563.90000110.9
69P54.5Low36.1Very low106 Ų106135 Ų13569%0.68875%0.751SS**  cis-151.5-156.527.933.2-4.7000116.3
70I28.8Very low36.1Very low140 Ų140137 Ų13772%0.71875%0.751SS**  trans118.6117.3149.9-63.5164.2000117.3
71Q27.9Very low35.8Very low187 Ų187136.6 Ų136.687%0.87476%0.757SS**  trans45.9132.9150.1-69.2174.8-29.600123.1
72S33.2Very low35.5Very low108 Ų108134.9 Ų134.976%0.75576%0.756SS**  trans-86.2178.4151.864.60000110.3
73P50.5Low34.8Very low102 Ų102130.6 Ų130.666%0.66275%0.751SS**  cis-133.1172.93.343.3-28.3000115.3
74F25.1Very low34Very low204 Ų204133.7 Ų133.790%0.89576%0.763SS**  trans166.4157.1144.3-92.8-69000107.7
75K29.8Very low32.8Very low139 Ų139132 Ų13260%0.60476%0.76SS**  -179.8141.5-50.8177.2175173.1-93.80105.4
76E26.7Very low32.5Very low156 Ų156127.8 Ų127.873%0.72976%0.759SS**  trans63.2147.7177.3-78.3141.9171.200114.4
77S26.3Very low32.8Very low107 Ų107129.4 Ų129.475%0.74876%0.761SS**  cis-160.8176-5.857.80000107.1
78C25.3Very low32.5Very low114 Ų114124.8 Ų124.877%0.7776%0.76SS**  cis-156.4149.4-2.4-140.60000108
79D32.7Very low32Very low131 Ų131122.9 Ų122.970%0.70176%0.756SS**  trans-92.3148.9144.4-158.9-16.4000106.3
80P37.9Very low31Very low110 Ų110127.2 Ų127.271%0.71477%0.765SS**  -145.1151.511137.4-23.3000116.3
81S32.2Very low31.1Very low96 Ų96124.9 Ų124.967%0.67176%0.761SS**  trans-60.3-176.5165-35.80000114.6
82L27.1Very low31.3Very low180 Ų180122.9 Ų122.994%0.94275%0.751SS**  trans87.9140-179.6-51.2167.9000113.9
83G23.2Very low31.1Very low56 Ų56125 Ų12558%0.57775%0.749SS**  cis150.7140.5-5.300000112.4
84L29.2Very low30.3Very low181 Ų181125.1 Ų125.195%0.94875%0.752SS**  trans64148.9-174.2-55102.4000113.9
85A28.4Very low30.6Very low96 Ų96122.6 Ų122.679%0.79374%0.743SS**  cis-144.5164.516.800000113.1
86G28.6Very low30.7Very low71 Ų71123.2 Ų123.273%0.73275%0.748SS**  trans-84.5-151.8161.800000112.1
87P42.7Very low31.1Very low137 Ų137120.1 Ų120.189%0.8975%0.75SS**  cis-1401651741.6-24.1000117.6
88G27.7Very low31.2Very low76 Ų76122.4 Ų122.478%0.78475%0.754SS**  trans109.9146.7143.600000117.6
89A34.6Very low31.8Very low83 Ų83125.7 Ų125.769%0.68676%0.757SS**  cis-165.4139.2-8.400000113.4
90K33Very low31.5Very low198 Ų198127.9 Ų127.986%0.86176%0.764SS**  trans68.8146.9149.2-66.2166-173.6-178.90116.9
91S31.3Very low31Very low91 Ų91128.9 Ų128.964%0.63676%0.762SS**  cis-164.1160.9-1.8-103.70000107.7
92Q31.8Very low30.7Very low144 Ų144130.6 Ų130.667%0.67377%0.768SS**  cis178.5134-10.1163171.6-2.200110.7
93E28.4Very low30.7Very low153 Ų153125.7 Ų125.772%0.71575%0.754SS**  trans51.7159.9152.1-71.7174.111700120.8
94S34.9Very low30.8Very low104 Ų104132.1 Ų132.173%0.72777%0.769SS**  cis-164.3166.1-1.127.40000108.8
95Q30.1Very low30.7Very low151 Ų151129.8 Ų129.871%0.70676%0.762SS**  cis-165.4172.6-19179163.84.900109.5
96E31.6Very low30.8Very low152 Ų152131.6 Ų131.671%0.7176%0.763SS**  trans-48.8162.8171.4-57.3122.2162.100115.4
97A35.4Very low30.9Very low92 Ų92135.5 Ų135.576%0.7676%0.762SS**  cis88.1119.419.500000117.5
98D29.6Very low30Very low155 Ų155139.1 Ų139.183%0.82976%0.764SS**  trans-170.7126.9159.7-99.7-19.6000104.2
99E37.4Very low30Very low182 Ų182140.4 Ų140.485%0.8576%0.76SS**  81.3100.857.3-72-143.9-176.900115.5
100E27Very low29.6Very low178 Ų178142.4 Ų142.483%0.83277%0.768SS**  trans-166.2136.3138.5-105.6-157131.300113.6
101L26.6Very low29.4Very low131 Ų131139 Ų13969%0.68677%0.769SS**  trans54.8108.3143-59.3-178.6000124.4
102V25.8Very low29Very low131 Ų131144.4 Ų144.479%0.79478%0.781SS**  63.7140.7108.4170.80000122.3
103A27.2Very low28.7Very low78 Ų78143.8 Ų143.865%0.64579%0.788SS**  trans83.6112.7153.400000122.2
104E26Very low28.5Very low190 Ų190142.7 Ų142.789%0.88880%0.796SS**  72.1143.1107.7-150.5171.4165.200122
105V26.9Very low28.1Very low132 Ų132143 Ų14380%0.880%0.798SS**  trans-87135.3176.3169.20000110.4
106V30.2Very low28.1Very low135 Ų135145.2 Ų145.282%0.81881%0.805SS**  trans-162.4159.7143126.30000112.5
107E29.9Very low28.6Very low153 Ų153143.6 Ų143.672%0.71581%0.808SS**  trans-48.8158-169.7-52.8178.598.500118.4
108K25.3Very low28.4Very low213 Ų213144.9 Ų144.993%0.92681%0.811SS**  trans-149.198140.3-122.7159.5-169158.50113.2
109C26.5Very low28.3Very low103 Ų103145.7 Ų145.770%0.69681%0.81SS**  trans-80.1135.3172.8-69.10000111.9
110S26.4Very low28Very low124 Ų124143.9 Ų143.987%0.86781%0.806SS**  175.3138.5128-79.80000112.4
111S28.2Very low27.9Very low126 Ų126144.6 Ų144.688%0.88181%0.81SS**  trans-86.1159.5172.352.60000112
112K23.6Very low28.3Very low205 Ų205144.6 Ų144.689%0.89182%0.815SS**  trans-148.4127.4164.9-163.9163.6-175.4173.40112.2
113T25.7Very low29.3Very low132 Ų132143.2 Ų143.281%0.8181%0.808SS**  trans-79.1161.7173.744.40000111.6
114C23.4Very low29.5Very low130 Ų130146.7 Ų146.788%0.87881%0.811SS**  trans-120.6144.6173.9-164.80000110.7
115S28.1Very low29.6Very low111 Ų111145.4 Ų145.478%0.77681%0.805SS**  trans-115.7162.6-173.2-590000112.1
116K28.8Very low29.5Very low197 Ų197144.3 Ų144.386%0.85780%0.799SS**  trans-102.7149.6-173.6-146.6-172.4-175-176.50112.6
117P43.5Very low29.4Very low117 Ų117145 Ų14576%0.7680%0.796SS**  trans-81.1172.7155.3-12.930.4000112.7
118S31.2Very low29.3Very low120 Ų120143.9 Ų143.984%0.83980%0.795SS**  trans-161.4146.4171.4-166.40000111.7
119E26.7Very low29.6Very low172 Ų172138.4 Ų138.480%0.80478%0.784SS**  trans-136.7120.5170.2-86.9-164.6114.100113
120N30.3Very low29.9Very low144 Ų144141.1 Ų141.177%0.7779%0.786SS**  trans57.9150.4134.1-63.4-22.3000126
121E26.8Very low30.1Very low193 Ų193140.4 Ų140.490%0.90278%0.781SS**  trans80.7156163.9-65.6-161.1128.100121.9
122V33.5Very low30.2Very low131 Ų131139.5 Ų139.579%0.79477%0.77SS**  trans-172.7155.6-138.3150.30000105.7
123P48.1Very low30.6Very low101 Ų101138.9 Ų138.966%0.65677%0.767SS**  cis-136.6-175.118.529.2-4.2000116.9
124Q30.9Very low30.8Very low152 Ų152139 Ų13971%0.7176%0.763SS**  125.2115.3112.3-134.6163.932.800119.6
125Q27.6Very low31Very low163 Ų163141.1 Ų141.176%0.76276%0.757SS**  trans61.2153.6147-77.2168.62.300119.4
126T24.1Very low31Very low108 Ų108143.5 Ų143.566%0.66375%0.754SS**  cis-142.8145.22.44.80000107.7
127I29.4Very low30.8Very low149 Ų149141.6 Ų141.676%0.76475%0.748SS**  44.7127.494.9-53.8179.4000112.9
128D27.1Very low30.2Very low130 Ų130143.2 Ų143.270%0.69575%0.746SS**  cis-117.1-142.716.2-158.338.3000111.1
129S31.7Very low30.8Very low99 Ų99142.5 Ų142.569%0.69274%0.738SS**  cis-158.4-166.10.4-153.20000113.4
130H32.2Very low31Very low160 Ų160141.4 Ų141.474%0.74173%0.733SS**  trans-129.2139.3-161.5-82.4-81.7000118
131S31.2Very low31.1Very low109 Ų109141.8 Ų141.876%0.76273%0.73SS**  -168.2107.9127-175.60000108.8
132V30.4Very low31.4Very low106 Ų106138.1 Ų138.164%0.64272%0.716SS**  58.3115.783179.10000111
133K32.3Very low31.3Very low193 Ų193140.3 Ų140.384%0.83972%0.716SS**  cis-154.6160.720.5-137.3163.1-167.6172.60113.8
134N30.1Very low30.6Very low133 Ų133140.5 Ų140.571%0.71172%0.719SS**  trans-74.2164.5178.5-52.2-19.6000112.4
135F26.8Very low30.8Very low175 Ų175143.2 Ų143.277%0.76873%0.729SS**  -165.8139.662.3-95.6-90.8000109.6
136K28.1Very low31.2Very low161 Ų161143.7 Ų143.770%0.774%0.735SS**  72.8130.587.1-164.6-171.6178.8-175.70113.8
137E25.7Very low31.6Very low157 Ų157143.7 Ų143.773%0.73474%0.739SS**  cis-168.4170.3-4.6171.1169.9-121.300110.6
138E29.1Very low31.7Very low152 Ų152144 Ų14471%0.7174%0.74SS**  trans-44.6168.2167.6-83.1-75.5124.200115.7
139P44.3Very low31.8Very low104 Ų104144 Ų14468%0.67575%0.745SS**  cis-148.5172.635.144.6-24.3000121
140E30.5Very low31.8Very low150 Ų150150 Ų15070%0.70175%0.753SS**  trans29.8151.9134.9-61.1-169.7131.200121.6
141H32.7Very low32.3Very low151 Ų151148 Ų14870%0.69975%0.754SS**  cis-167171.27.8-125.970.1000105.1
142D32.7Very low32.2Very low116 Ų116152.2 Ų152.262%0.6276%0.759SS**  cis-172.2-162-25.2176.941.2000107
143F31.5Very low32.3Very low178 Ų178152.9 Ų152.978%0.78177%0.768SS**  trans100.789.5163.1-64.3-73.8000119.3
144S33.6Very low32.3Very low105 Ų105151.8 Ų151.873%0.73477%0.769SS**  10.5120.4129.2-65.50000119.7
145K36.8Very low32.3Very low209 Ų209153.8 Ų153.891%0.90977%0.774SS**  -167.7124.6123.4-107.8159.4-173.1171.80113.1
146I35.7Very low32.6Very low173 Ų173151.6 Ų151.689%0.88778%0.776SS**  trans-83.1130.9167.2-63.9165.8000107.7
147S30.9Very low32.7Very low107 Ų107155.5 Ų155.575%0.74879%0.786SS**  trans-119.4137.5176.9-168.40000111.2V149S147-V149 PolarHBondContact O-N 2.8Å
148I31.7Very low33.1Very low156 Ų156155.4 Ų155.480%0.879%0.791SS**  trans-86.6112-174.9-63.5169.2000109.3
149V29.8Very low33.1Very low130 Ų130154 Ų15479%0.78880%0.797SS**PPolyproline II helixtrans-81123.6171.6179.50000109.4S147S147-V149 PolarHBondContact O-N 2.8Å
150R31.2Very low32.5Very low226 Ų226155.7 Ų155.785%0.85381%0.806SS**PPolyproline II helixtrans-98.7153.2163.1-100.2-171.8174176.7-0.1110.4
151P43.3Very low32.5Very low118 Ų118155.3 Ų155.377%0.76681%0.809SS**PPolyproline II helixtrans-79.3163.8-165.232.3-37000114.2
152F29.9Very low32.3Very low197 Ų197154.9 Ų154.986%0.86481%0.81SS**PPolyproline II helixtrans-66.7142.5-177.9-61.5-94.6000113.8
153S31Very low32.1Very low119 Ų119154.6 Ų154.683%0.83282%0.817SS**PPolyproline II helixtrans-75.1136.2156.6-62.70000109.8
154I33.3Very low32Very low171 Ų171151 Ų15188%0.87782%0.821SS**  trans-87.9114.3169.6-64.2173.8000107.8
155E29.8Very low31.9Very low174 Ų174150 Ų15081%0.81382%0.819SS**  trans-101.1133.4178.6-166.2164.1-130.600110.9
156T32.4Very low31.5Very low130 Ų130148.6 Ų148.680%0.79882%0.82SS**  trans-70.3134.2-175.344.30000112
157R31.3Very low31.2Very low242 Ų242143.1 Ų143.191%0.91381%0.806SS**  trans-11196.5177.4-67.3-169177.6-157.3-1.8112.4
158D33.9Very low31.4Very low156 Ų156145.2 Ų145.283%0.83481%0.814SS**  trans-92.9132.1150.1-76.3-48.6000108.6
159S29.8Very low31.4Very low121 Ų121147.4 Ų147.485%0.84682%0.818SS**  trans-164.9130.3165.3-81.40000111
160T30Very low31.6Very low140 Ų140145.8 Ų145.886%0.85982%0.819SS**  trans-126.297.2177.3-58.60000109.6
161D30.3Very low31.6Very low142 Ų142139.4 Ų139.476%0.75981%0.814SS**  trans75.6165.2140.6-150.43.1000120.6
162I30.2Very low31.1Very low142 Ų142143.1 Ų143.173%0.72882%0.821SS**  trans83.583.4165.1-46-177.5000119.1
163S28.5Very low31.1Very low110 Ų110137.3 Ų137.377%0.76982%0.817SS**  42.2124.9117.8-56.20000123.9
164A29Very low31Very low104 Ų104137.4 Ų137.486%0.8682%0.816SS**  156.9160.5125.200000112.7
165A31.8Very low30.8Very low83 Ų83135.5 Ų135.569%0.68681%0.812SS**  cis-169.8149.6-35.700000109.9
166L28.5Very low30.9Very low180 Ų180132.9 Ų132.994%0.94281%0.808SS**  trans62.8153.3174.6-80.367.2000117.1
167G28.3Very low30.9Very low57 Ų57130.9 Ų130.959%0.58881%0.805SS**  cis167.4160.8-9.200000114.8
168T35.3Very low30.9Very low151 Ų151125.7 Ų125.793%0.92680%0.8SS**  trans70.8154.8-179.281.20000115.2
169K32.2Very low30.7Very low202 Ų202123.6 Ų123.688%0.87880%0.797SS**  cis-143.7150.912.9-175.6178.2177.7-178.30111.2
170A32.8Very low30.7Very low97 Ų97121.3 Ų121.380%0.80279%0.792SS**  trans-94.5160.5-173.500000115.3
171A32.8Very low30.8Very low91 Ų91124.6 Ų124.675%0.75280%0.795SS**  trans-148.6141.2158.100000111.7
172H31.8Very low30.6Very low196 Ų196122.6 Ų122.691%0.90780%0.798SS**  trans-36.5153.1173.8-40.4-82.2000115.5
173G29.5Very low30.7Very low76 Ų76123.9 Ų123.978%0.78481%0.805SS**  cis135169.821.600000108.4
174C29Very low31.9Very low121 Ų121123.7 Ų123.782%0.81880%0.802SS**  cis-170.3176.6-8.2-167.70000108.8
175V29.8Very low31.7Very low130 Ų130123.8 Ų123.879%0.78880%0.796SS**  trans82.9140.7159.4177.20000119.9
176T31.4Very low31.9Very low119 Ų119125.1 Ų125.173%0.7380%0.8SS**  cis-173.2162-28-74.20000109.7
177A32.2Very low33.2Very low88 Ų88121.9 Ų121.973%0.72779%0.79SS**  trans83.5153.2151.500000120.7
178V31.9Very low34.3Very low133 Ų133123.9 Ų123.981%0.80679%0.793SS**  cis-168.2134.6-19.4120.90000107.5
179S28.9Very low33.9Very low113 Ų113124 Ų12479%0.7979%0.788SS**  165.4143.890.3-150.60000106.8
180G29.7Very low33.7Very low72 Ų72118.2 Ų118.274%0.74278%0.778SS**  91141.867.800000112.8
181K33.8Very low33.7Very low209 Ų209122.3 Ų122.391%0.90979%0.785SS**  cis-180127.6-3.2178.3178.6-175.9176.30112
182A25.8Very low33.5Very low100 Ų100127.6 Ų127.683%0.82679%0.794SS**  trans-167.7155.6162.400000114.5
183L32.2Very low33.3Very low169 Ų169125.3 Ų125.389%0.88579%0.789SS**  trans-167.5-176.6-177.8-99.2169.5000108.1
184P53.7Low33.4Very low106 Ų106129.3 Ų129.369%0.68879%0.787SS**  cis-140.3-172.66.743.5-24.5000118.2
185S25Very low33.4Very low106 Ų106127.1 Ų127.174%0.74178%0.778SS**  trans81.3144.5148.372.60000121.8
186S34.2Very low33.2Very low111 Ų111128.9 Ų128.978%0.77678%0.78SS**  cis-164.5-163.5-19.255.90000110.5
187P57.5Low33.7Very low113 Ų113129.5 Ų129.573%0.73478%0.783SS**  -125.1-156.1-108.845.4-24.8000112.5
188P50.7Low33.5Very low98 Ų98135 Ų13564%0.63679%0.794SS**  cis-136.6-176.5-5.645.5-28.2000116.6
189D27.7Very low33.3Very low153 Ų153131.6 Ų131.682%0.81879%0.786SS**  trans61.2152.2152.3-57.4-26.6000122.2
190A28.1Very low33.3Very low82 Ų82131.1 Ų131.168%0.67878%0.783SS**  cis-173.1114.5-3400000108.6
191L32Very low33.2Very low182 Ų182136.5 Ų136.595%0.95379%0.791SS**  trans-139.7143.6167.3-76.7176.5000109.9
192Q29Very low32.7Very low202 Ų202129.6 Ų129.694%0.94478%0.779SS**  trans-106.9170.3-175.5-68.6-175.9-6.700111.8
193D27.1Very low32.8Very low148 Ų148131.6 Ų131.679%0.79178%0.78SS**  trans-113.9170.9-173-160.66.7000111.6
194E31.8Very low32.5Very low160 Ų160130 Ų13075%0.74878%0.778SS**  trans61.1103.9160.8-76.5-88.285.300120.4
195A28.6Very low31.2Very low76 Ų76132.7 Ų132.763%0.62879%0.785SS**  83.6146.5116.200000124
196M27Very low31.3Very low167 Ų167134.9 Ų134.982%0.82378%0.784SS**  trans63.3110.2157.6-64.8-58.7174.900122.5
197T41.1Very low31.7Very low131 Ų131134.8 Ų134.880%0.80478%0.781SS**  trans17.4119.6135.958.50000121
198E27.4Very low30.6Very low203 Ų203134 Ų13495%0.94978%0.778SS**  trans-140.3170.3142.6-170.2165.8-145.800108.7
199G28.5Very low29.6Very low63 Ų63135.5 Ų135.565%0.64979%0.785SS**  trans-169.9-173.4173.800000115
200S28Very low29.6Very low102 Ų102136.8 Ų136.871%0.71379%0.787SS**  trans86.3123.1174.4-151.20000117.8
201M27.4Very low29.9Very low186 Ų186137.4 Ų137.492%0.91679%0.792SS**  trans66.3145.5166.6-57.2177.4-76.700117
202G24.8Very low29.5Very low63 Ų63134.5 Ų134.565%0.64979%0.787SS**  cis171.4-174-4.400000111.5
203V26.6Very low29.7Very low142 Ų142132.4 Ų132.486%0.86178%0.781SS**  trans73130.1174.8-163.20000113
204T26.3Very low29.9Very low137 Ų137134.8 Ų134.884%0.8478%0.784SS**  cis-142.2176.247.3-41.80000113
205L26.6Very low29.9Very low161 Ų161132 Ų13284%0.84379%0.788SS**  trans-97.9151.7-158.5-65.2159.5000116.9
206E27.4Very low29.9Very low153 Ų153131.9 Ų131.972%0.71580%0.795SS**  trans-12.5161.4141-82.4-69113.600119S208E206-S208 PolarHBondContact OE2-N 2.88Å; E206-S208 VanDerWaalsContact OE2-N 3.1Å
207P43.3Very low29.8Very low109 Ų109131.8 Ų131.871%0.70880%0.798SS**  cis-144.2151.132.335.7-13.4000122.4
208S33.7Very low29.2Very low97 Ų97131.3 Ų131.368%0.67880%0.8SS**  trans67.5152.7143.3-60.30000120.4E206E206-S208 PolarHBondContact OE2-N 2.88Å; E206-S208 VanDerWaalsContact OE2-N 3.1Å
209T30.2Very low29.4Very low128 Ų128127.6 Ų127.679%0.78580%0.795SS**  cis-143.8153.223.347.60000116.1
210E26.7Very low29.8Very low180 Ų180130.3 Ų130.384%0.84180%0.801SS**  trans80.591141-157.7157.4-149.100123.9
211A34.4Very low29.8Very low96 Ų96133 Ų13379%0.79380%0.802SS**  trans35.4129.6130.800000125
212S24.2Very low30.1Very low120 Ų120129.7 Ų129.784%0.83980%0.795SS**  -161.9167.8110.4-161.40000112.6
213L33.5Very low30.3Very low158 Ų158132.1 Ų132.183%0.82780%0.797SS**  trans-118.7174.4-171.5-58169.8000111
214K30.1Very low31Very low198 Ų198130.9 Ų130.986%0.86179%0.791SS**  cis-157.7165.914.2-156.8170.8179.31770110.9
215A32.9Very low31Very low101 Ų101129.4 Ų129.484%0.83579%0.787SS**  trans-101.4173.5175.300000113.9
216G27.1Very low31Very low74 Ų74133.4 Ų133.476%0.76379%0.791SS**  trans161138.6163.600000116.3
217N26.8Very low31.1Very low165 Ų165137.9 Ų137.988%0.88280%0.801SS**  trans-93.6175.5177.8-74.9-10.9000113.3
218S28Very low30.5Very low121 Ų121137.4 Ų137.485%0.84680%0.801SS**  trans108.2151.7156.277.10000118.5
219C32.1Very low30.3Very low125 Ų125142.1 Ų142.185%0.84581%0.809SS**  trans-78156.6-174.6-57.30000112.9
220P37Very low30.4Very low120 Ų120143 Ų14378%0.77981%0.808SS**  -146.6166.3110.138.7-25.2000115.4
221E26.2Very low30.8Very low159 Ų159145.7 Ų145.774%0.74381%0.81SS**  trans-87.4140.4158.6-157.2-155135.600109.2V223E221-V223 WeakPolarHBondContact OE1-CG2 3.09Å
222P33.9Very low30.9Very low116 Ų116150.5 Ų150.575%0.75381%0.814SS**  -151.3163.8108.736.6-18.6000116.4
223V29.7Very low31.3Very low115 Ų115150.8 Ų150.870%0.69781%0.813SS**  trans-102.2137.4-177.6167.30000111.7E221E221-V223 WeakPolarHBondContact OE1-CG2 3.09Å
224P41.1Very low31.4Very low115 Ų115151.7 Ų151.775%0.74781%0.81SS**  -158.3137.5108.836.9-15.6000120.7
225S25.3Very low31.5Very low106 Ų106148.3 Ų148.374%0.74181%0.808SS**  trans65.5122.6135.3-68.20000124
226R27.3Very low31.3Very low246 Ų246148.8 Ų148.893%0.92880%0.8SS**  -171.3102.7101.4-100.3173.7-166.8-104.91.2117
227R30Very low32.4Very low246 Ų246149.8 Ų149.893%0.92879%0.793SS**  trans3.7138.5148.6-60178.9175.2-163.6-1.3122.2
228S30.8Very low32.3Very low100 Ų100149.6 Ų149.670%0.69979%0.791SS**  -157.5134107.980.80000111.8
229K29.7Very low32.5Very low195 Ų195154.6 Ų154.685%0.84879%0.792SS**  64.5137.2112-62.2178-174.8175.20115.2
230L32Very low32.7Very low148 Ų148158.7 Ų158.778%0.77580%0.795SS**  cis-156138.516.8-164.169.9000115.1
231R34.9Very low32.5Very low235 Ų235160.9 Ų160.989%0.88779%0.792SS**  trans22.6142.6155.9-63.5-172.7170.8-164.1-2.9125.3
232K36.3Very low32.6Very low198 Ų198156.8 Ų156.886%0.86179%0.786SS**  trans-71160.2162.3-43175.3179.3-1740114.2
233P32.4Very low32.5Very low126 Ų126158.7 Ų158.782%0.81879%0.788SS**  trans-82.7172.1149.235.7-33000112.6
234K36.5Very low32.3Very low177 Ų177156.8 Ų156.877%0.7779%0.791SS**  trans-159.4142.1-176.6172.6-178.5177.5179.10110.7V236K234-V236 HydrophobicContact CD-CG2 4.4Å; K234-V236 HydrophobicContact CG-CG2 4.16Å
235P31.4Very low31.5Very low126 Ų126154.4 Ų154.482%0.81879%0.788SS**  trans-122.9123.9160.435.3-23.2000113.6
236V29.7Very low31.5Very low111 Ų111156.9 Ų156.967%0.67379%0.788SS**  trans-162.2144.6165.6-149.60000103.8K234K234-V236 HydrophobicContact CD-CG2 4.4Å; K234-V236 HydrophobicContact CG-CG2 4.16Å
237P48.4Very low31.3Very low95 Ų95153.7 Ų153.762%0.61778%0.781SS**  cis-141.8167.823.243.6-26.5000118.5
238L25.9Very low31.2Very low162 Ų162146 Ų14685%0.84877%0.765SS**  trans-171.3120.7132.6-92.6143000105.2
239R32Very low30.9Very low226 Ų226147.9 Ų147.985%0.85377%0.767SS**  64.3127.453.1-69-175.7162.2-162.7-4.3112.5
240K37.1Very low30.9Very low210 Ų210144.9 Ų144.991%0.91377%0.766SS**  cis-102.3-142-8.7-58.8179.7-175177.30108.9
241K31.7Very low30.6Very low166 Ų166144.8 Ų144.872%0.72277%0.766SS**  cis-157.8121.6-16.7-177.9-87.6-177.1-170.30104.4I243K241-I243 WeakPolarHBondContact CE-O 3.47Å; K241-I243 PolarHBondContact NZ-O 3.42Å
242A28.7Very low30.3Very low74 Ų74138 Ų13861%0.61276%0.76SS**  cis84127.314.900000117.1
243I31Very low29.9Very low156 Ų156132.9 Ų132.980%0.876%0.755SS**  trans70.1133.8173.9-49.8149.1000113.8K241K241-I243 WeakPolarHBondContact CE-O 3.47Å; K241-I243 PolarHBondContact NZ-O 3.42Å
244G25.6Very low29.8Very low74 Ų74131.4 Ų131.476%0.76375%0.753SS**  cis-147.3-169.2-9.200000108.3
245G25.2Very low29.3Very low66 Ų66132.8 Ų132.868%0.6876%0.762SS**  cis135.292.47.900000111.2
246E24.9Very low29Very low158 Ų158130.6 Ų130.674%0.73876%0.763SS**  trans70.4114.1133.2-68.5177139.400122
247F23.7Very low29.1Very low179 Ų179131.7 Ų131.779%0.78577%0.77SS**  trans67.8174.3146.7-31.2-50.2000118.6
248S26.3Very low28.5Very low83 Ų83133.1 Ų133.158%0.5878%0.779SS**  cis-159.9147.99.6-131.50000113.3
249D26.3Very low28.7Very low140 Ų140132.3 Ų132.375%0.74978%0.775SS**  trans51.7-177.3146.5-42.2-41.7000119.7
250T29.5Very low28.7Very low133 Ų133127.2 Ų127.282%0.81677%0.771SS**  cis-150.8165.2236.40000107.3
251D25.8Very low28.1Very low145 Ų145126.5 Ų126.578%0.77577%0.768SS**  cis-176.2152.8-23.6171.439.3000106.8
252A27.7Very low27.8Very low94 Ų94123.2 Ų123.278%0.77777%0.772SS**  trans-159.354176.800000117.3
253A27.2Very low27.6Very low90 Ų90124.9 Ų124.974%0.74478%0.779SS**  trans65.7148.814100000124.4
254A31.8Very low27.4Very low95 Ų95128.4 Ų128.479%0.78578%0.784SS**  trans80.868.8149.700000121.9
255E25.4Very low27.4Very low206 Ų206132 Ų13296%0.96378%0.781SS**  52.1123.1116.6-165.6164.8-128.600121.9
256G26.1Very low27.3Very low80 Ų80137.6 Ų137.683%0.82579%0.786SS**  trans165.770.6167.600000118
257T29.9Very low27.6Very low134 Ų134134.9 Ų134.982%0.82279%0.785SS**  trans-98.7152.5173.4-4.20000111.8
258P36.7Very low28.3Very low125 Ų125131.2 Ų131.281%0.81278%0.779SS**  -148-179.177.838.9-19.3000116.6
259L30.5Very low28.5Very low144 Ų144134.9 Ų134.975%0.75479%0.787SS**  trans-100.9154.9178.2-138.785.4000112.1K261L259-K261 HydrophobicContact CD2-CB 4.34Å
260P30.7Very low28.9Very low120 Ų120137 Ų13778%0.77979%0.793SS**  -143.1164.7104.737.9-24.2000113.4
261K25.8Very low29Very low194 Ų194137.8 Ų137.884%0.84379%0.791SS**  cis103.173.710.3-155.5-177.6-173-176.20117.5L259L259-K261 HydrophobicContact CD2-CB 4.34Å
262A25Very low29.2Very low97 Ų97137.1 Ų137.180%0.80279%0.787SS**  trans-160.5145.2151.700000107.9
263S24.3Very low29.4Very low110 Ų110140.4 Ų140.477%0.76979%0.787SS**  cis79.3102.311.8-172.40000117.6
264Y26.1Very low29.5Very low230 Ų230141.9 Ų141.990%0.90278%0.782SS**  trans-158.2136.3138.3-119.8-78.6000113.3
265H26.3Very low29.4Very low150 Ų150144.1 Ų144.169%0.69479%0.786SS**  trans-96154.2173146.646.5000114.3
266F24.1Very low29.5Very low182 Ų182139.6 Ų139.680%0.79878%0.777SS**  trans87.8148.2147.5-85.6-67.6000122.3
267S30Very low30.2Very low102 Ų102141.3 Ų141.371%0.71377%0.774SS**  trans-102.7-162.1177.1-23.10000110.2
268P39.4Very low30Very low101 Ų101140.7 Ų140.766%0.65678%0.775SS**  cis-134.1-146.2-13.6235.4000112.6
269E30.3Very low29.6Very low161 Ų161140 Ų14075%0.75277%0.773SS**  trans87.1153163.1-90.870.2-95.200123.4
270E34.8Very low29.6Very low185 Ų185141.6 Ų141.686%0.86478%0.781SS**  trans67.9153.3170.8-64.1179.6-164.200120.7
271L32.1Very low29.4Very low149 Ų149139.4 Ų139.478%0.7878%0.781SS**  cis-162.8166.1-48.1-156.868.6000109.4
272D29.6Very low29.5Very low131 Ų131133.8 Ų133.870%0.70178%0.778SS**  trans62.9134.8171.3-72.41.7000117.7
273E31.1Very low30Very low163 Ų163134.2 Ų134.276%0.76278%0.781SS**  70.2140.156.9-79.1-14717500114.2
274N30.7Very low30.2Very low121 Ų121136.5 Ų136.565%0.64778%0.781SS**  cis-161.4159.4-9.447.336.5000110
275T27.9Very low30.5Very low142 Ų142132.1 Ų132.187%0.87177%0.773SS**  trans-164.7123.1154.9-60.20000112
276S28.8Very low30.7Very low111 Ų111132.2 Ų132.278%0.77677%0.774SS**  trans-151.4132.1155.155.80000109.4
277P41.2Very low30.9Very low115 Ų115132.4 Ų132.475%0.74777%0.774SS**  trans-92.9168.2-169.436.1-36.4000114.4
278S24.6Very low31Very low121 Ų121132.9 Ų132.985%0.84678%0.778SS**  trans93.3133.7-176.8-45.90000113.2
279S27.9Very low31.6Very low110 Ų110133.5 Ų133.577%0.76978%0.781SS**  cis-156171.15.461.60000112.4
280L31.6Very low32.9Very low179 Ų179130.7 Ų130.794%0.93778%0.777SS**  trans71.6137.9162.7-142.772000116.7
281G26.5Very low32.6Very low74 Ų74128 Ų12876%0.76377%0.769SS**  cis160.4114-14.200000114
282G28.3Very low32.5Very low76 Ų76127 Ų12778%0.78476%0.764SS**  trans115.7113.715800000118.7
283A34.7Very low32.6Very low105 Ų105128.6 Ų128.687%0.86876%0.764SS**  trans51.8152.1137.500000121.1
284M28.4Very low32.4Very low158 Ų158128 Ų12878%0.77876%0.761SS**  cis-160.6160.110.7-154.5-169175.400110.6
285L32.2Very low32.2Very low139 Ų139128.2 Ų128.273%0.72877%0.768SS**  trans67.3162.6165.4-52.1175.1000117.7
286Q30.8Very low33Very low152 Ų152127.3 Ų127.371%0.7176%0.764SS**  -167148.9-50.1-154-169.763.100108.4
287K28.8Very low32.9Very low186 Ų186125.1 Ų125.181%0.80976%0.759SS**  trans89.4137.7165.2-53.6-178.6-178.1-179.20119
288S30.8Very low32.2Very low112 Ų112126.4 Ų126.478%0.78377%0.765SS**  trans-134.2-165.8176.848.30000107.1
289P51.7Low32.2Very low113 Ų113128.1 Ų128.173%0.73476%0.764SS**  cis-119.3-136-39.934.8-13.2000107.6
290P58.9Low32.2Very low103 Ų103128.1 Ų128.167%0.66976%0.764SS**  cis-123.9-138.6-2529.2-2.3000110.1
291D27.3Very low32Very low129 Ų129124.1 Ų124.169%0.6975%0.751SS**  cis-166.6173.31.8-139.5-27000114.9
292L31.3Very low32Very low127 Ų127126.8 Ų126.867%0.66575%0.748SS**  trans53.5109.7152.4-59.5-173.7000124.6
293K30.8Very low32.2Very low165 Ų165128.4 Ų128.472%0.71774%0.742SS**  69.9159.5120.3-71.6-175.5161.7-1490121
294E26.6Very low32Very low149 Ų149130.7 Ų130.770%0.69674%0.74SS**  cis-146.3164.94.2-141.4153.3-153.300113.7
295T26.7Very low32Very low127 Ų127130.3 Ų130.378%0.77974%0.741SS**  trans-95.3-171.5172.55.80000111.3
296P45.4Very low32Very low123 Ų123128.6 Ų128.680%0.79974%0.741SS**  cis-134.9-167.5-22.136.8-16.8000114
297G25.9Very low31.8Very low65 Ų65124.5 Ų124.567%0.6774%0.74SS**  trans99.7123156.100000115.2
298T26.9Very low31.9Very low141 Ų141122.8 Ų122.887%0.86574%0.744SS**  cis76.3107.124.5-41.90000115.3
299L25.5Very low32Very low157 Ų157125.5 Ų125.582%0.82274%0.744SS**  171158.1116-163.662.4000112.2
300S27.9Very low31Very low110 Ų110128.3 Ų128.377%0.76975%0.752SS**  trans69.6159.8159.172.70000119.5
301S26.7Very low29.5Very low95 Ų95126.2 Ų126.266%0.66475%0.75SS**  cis-165.3175.2-43.9-152.60000109.8
302D25.9Very low29.7Very low131 Ų131129.3 Ų129.370%0.70176%0.76SS**  trans71.1104.4148.1-58.5-10.1000121.4
303T32Very low29.4Very low110 Ų110131 Ų13168%0.67577%0.765SS**  54.5115.2127.663.90000122.3
304N31.3Very low29.7Very low152 Ų152127.6 Ų127.681%0.81376%0.761SS**  75.8138.4121.1-60-14.7000123.1
305D28.9Very low29.8Very low151 Ų151131.8 Ų131.881%0.80777%0.771SS**  trans87.2140.3141-151.818.2000120.8
306S32.4Very low30Very low102 Ų102130.8 Ų130.871%0.71377%0.769SS**  trans40.1137.316470.30000120.3
307G26.9Very low29.6Very low67 Ų67133 Ų13369%0.69177%0.773SS**  cis123.6175.313.900000111.2
308V30.2Very low30.4Very low150 Ų150135.3 Ų135.391%0.90978%0.776SS**  trans79.4137.7176.3-1720000116.1
309E33.2Very low30.5Very low168 Ų168136 Ų13679%0.78577%0.774SS**  trans-96.8-170.7-179.5-56.8175.794.300112.6
310L29.3Very low30.7Very low172 Ų172136.7 Ų136.790%0.90177%0.77SS**  trans76.9141.6168.2-48.6168.8000114.6
311G28.8Very low31.1Very low59 Ų59139.5 Ų139.561%0.60878%0.776SS**  cis173-172.1-200000110.8
312E30.1Very low31.1Very low194 Ų194142 Ų14291%0.90778%0.777SS**  trans65.9158170.9-57.5-179.9171.500117.1
313E26.8Very low31.2Very low164 Ų164144.9 Ų144.977%0.76678%0.784SS**  cis-156144.4-38.2178166.7-167.700110.9
314S36.4Very low31.3Very low92 Ų92145.8 Ų145.864%0.64378%0.784SS**  trans25.6131.2156.4-56.20000122.8
315R28.5Very low31.2Very low237 Ų237147.1 Ų147.189%0.89478%0.783SS**  trans-157.6112.4133.4-120.8169.5-110.4-150.3-2.5116.8
316S31Very low31.7Very low106 Ų106145.1 Ų145.174%0.74178%0.776SS**  trans31.8125.314359.10000122.9
317L36.2Very low31.7Very low169 Ų169149.3 Ų149.389%0.88579%0.785SS**  trans-58.8165.6162.4-55.6162.3000113.5
318P43.4Very low32Very low114 Ų114152.1 Ų152.174%0.7478%0.784SS**  -153.7161.595.239.9-21.9000118.9
319L28.9Very low32.2Very low155 Ų155153.1 Ų153.181%0.81278%0.781SS**  trans67.896.1146.6-70.3163.2000123.1
320K29.3Very low32Very low172 Ų172148.1 Ų148.175%0.74877%0.774SS**  60.2108.8104.9-170.1-176.9-176.6178.90121.1
321L36.9Very low32.1Very low170 Ų170146.9 Ų146.989%0.8977%0.768SS**  trans-155.4150.8131.7-164.160.2000111
322E27.5Very low32.2Very low147 Ų147151.7 Ų151.769%0.68778%0.778SS**  trans-113.2148.3-179.3-65.5147.7104.700111
323F26.5Very low32.2Very low192 Ų192150.1 Ų150.184%0.84277%0.771SS**  -163.4153.6125-132.4-98000112.9
324D35Very low32.4Very low128 Ų128146 Ų14668%0.68477%0.766SS**  trans-89.4168.3-169.2-69.4-71.1000115.8
325F29.6Very low32.1Very low180 Ų180152.4 Ų152.479%0.78978%0.776SS**  -162.1105113.2-103.3-70.4000112.6
326T38.9Very low32.2Very low109 Ų109150.5 Ų150.567%0.66977%0.774SS**  trans47.5154135.760.60000121.9
327E32.4Very low32.1Very low190 Ų190150.1 Ų150.189%0.88878%0.777SS**  cis-144.1153.98.2-146.7168.2174.900113
328D33.4Very low32.1Very low126 Ų126150 Ų15067%0.67478%0.776SS**  trans-76157.9-169.4166.147.3000116.4G330D328-G330 PolarHBondContact OD1-N 3.46Å
329M34Very low32.1Very low172 Ų172150 Ų15085%0.84778%0.776SS**  trans-160.6113.7134.6-17154.253.100113.3
330G29.4Very low32.4Very low62 Ų62153.2 Ų153.264%0.63978%0.778SS**  trans88.175.6137.600000118.9D328D328-G330 PolarHBondContact OD1-N 3.46Å
331N30.2Very low32.7Very low146 Ų146154.3 Ų154.378%0.78178%0.782SS**  trans-88162.6168.9-169.6-3.2000112.1
332I32.2Very low32.5Very low160 Ų160154.9 Ų154.982%0.82179%0.785SS**  trans-164.6143.2141.9-102.6153.2000113.2
333E29.8Very low32.5Very low162 Ų162150.9 Ų150.976%0.75778%0.784SS**  trans-54.8-175.1-171.8-60.9-177.198.200120.1
334A30.2Very low32.9Very low78 Ų78153.8 Ų153.865%0.64579%0.789SS**  174.4163.7-50.400000111.5
335R31.9Very low33.3Very low226 Ų226156.8 Ų156.885%0.85380%0.796SS**  trans79.9137.4156.4-66.6174.6174.5178.1-0.4122.3
336K30.4Very low34Very low197 Ų197154.7 Ų154.786%0.85780%0.8SS**  trans83.7102.4147.6-80.4-176.9175.4-176.90122.6
337A29Very low33.5Very low98 Ų98152.5 Ų152.581%0.8180%0.8SS**  57.8126.911700000122.2
338L36.1Very low33.2Very low165 Ų165148.6 Ų148.686%0.86479%0.793SS**  trans-80.8151171.2-156.679.1000112.1
339P42.3Very low33.1Very low115 Ų115151.4 Ų151.475%0.74780%0.799SS**  -151.4144.4109.636.3-18.7000118.2
340R35Very low33.3Very low222 Ų222151.3 Ų151.384%0.83880%0.801SS**  trans41.4115.7142.8-69.8-176.4170.2-175.4-2123.4
341K35.7Very low33.7Very low195 Ų195155.4 Ų155.485%0.84881%0.807SS**  81.1152.2125.6-65.1-81.1-173.5177.20120.9
342L32.1Very low33.8Very low182 Ų182154.4 Ų154.495%0.95381%0.809SS**  trans70.8143.5175.2-138.871.7000114.9
343G28Very low33.6Very low63 Ų63155.4 Ų155.465%0.64981%0.807SS**  cis156146.6-15.900000113.7
344R35.5Very low33.6Very low254 Ų254154.8 Ų154.896%0.95881%0.806SS**  trans85.6147.1169-147.9-179.3-66.2-108.32.4117.8
345K43.8Very low33.5Very low191 Ų191158.4 Ų158.483%0.8381%0.81SS**  trans-87.6-172.2170-58.3-174.5178-1770109.8
346P43.7Very low33.4Very low135 Ų135154.7 Ų154.788%0.87780%0.8SS**  cis-150.4-168.310.946.2-24.5000118.6
347G27.7Very low33.3Very low64 Ų64151.8 Ų151.866%0.6679%0.793SS**  trans166.8131.4162.500000110
348S27.4Very low33.1Very low107 Ų107150.9 Ų150.975%0.74879%0.793SS**  cis75124.222.3112.80000113.8
349K31.5Very low32.9Very low186 Ų186150.4 Ų150.481%0.80979%0.79SS**  cis-138.9174.710.3-64.4160.5-175.21670110.2
350L37.3Very low32.2Very low169 Ų169150.5 Ų150.589%0.88579%0.794SS**  -170160.490.1-88.9170.6000112.4
351I37.1Very low32Very low149 Ų149149.4 Ų149.476%0.76480%0.795SS**  trans-142.7135.7-180-56.7170.6000109.6K353I351-K353 HydrophobicContact CG2-CB 4.15Å
352P33.9Very low31.5Very low125 Ų125145.5 Ų145.581%0.81279%0.792SS**  -129137.41237.513.8000110.1
353K27.7Very low31.3Very low180 Ų180141.5 Ų141.578%0.78379%0.785SS**  cis78.4136.329.4-154.1-175.5-179.7-178.60114.8I351I351-K353 HydrophobicContact CG2-CB 4.15Å
354M29Very low31.1Very low149 Ų149141.8 Ų141.873%0.73479%0.788SS**  trans81.8150174.1-51.6-175.768.100114.7
355Q28.6Very low30.8Very low155 Ų155137.3 Ų137.372%0.72478%0.782SS**  cis-168.3175.9-15-111.8-165.3-6.800108.4
356K30.6Very low29.9Very low148 Ų148136.5 Ų136.564%0.64378%0.781SS**  cis-168.4146.3-6.3162.1177.9175.7-175.60110.4
357D26.5Very low29.1Very low136 Ų136138.1 Ų138.173%0.72778%0.778SS**  trans53.8157.8160-60.1-3.6000123
358G26.1Very low29.8Very low78 Ų78139.9 Ų139.980%0.80478%0.777SS**  trans175.557.117900000116.7
359I31.5Very low29.6Very low156 Ų156141.3 Ų141.380%0.878%0.782SS**  trans-55137.7-174.6-76.7159.8000116.6
360S27.7Very low29.3Very low117 Ų117138.9 Ų138.982%0.81878%0.778SS**  178.3160.6115.737.20000114.4
361K31.4Very low29.7Very low198 Ų198135.9 Ų135.986%0.86177%0.768SS**  trans-88.1171.9-174.1-51.9175.5176.5177.20111.5
362S25.2Very low29.6Very low114 Ų114135 Ų13580%0.79777%0.77SS**  cis-142.9-170.712.7-54.40000109.3
363A26.2Very low29.5Very low97 Ų97133.1 Ų133.180%0.80276%0.764SS**  cis-148.6-168.33.700000108
364G24.6Very low29.5Very low69 Ų69134.8 Ų134.871%0.71177%0.766SS**  cis101.6133.42.600000114.4
365L28.8Very low29.6Very low160 Ų160134 Ų13484%0.83876%0.764SS**  cis-164.6145-7.2-179.658000112.1
366E25.1Very low29.7Very low174 Ų174130 Ų13081%0.81377%0.765SS**  trans67.4152.3162.7-74.3-72.189.800122.5
367Q26.3Very low30Very low170 Ų170128.6 Ų128.679%0.79477%0.771SS**  trans-107.7-171.7162.8-134.8-170.5-15.200106.9
368P43.5Very low30Very low101 Ų101129.3 Ų129.366%0.65677%0.774SS**  cis-119.5-164.6-31.941.6-27.1000110.8
369T23.9Very low30Very low137 Ų137130.6 Ų130.684%0.8477%0.771SS**  164138128.3-65.70000110.4
370D25Very low29.7Very low135 Ų135131.5 Ų131.572%0.72277%0.772SS**  trans-108.8160.7175.5-175.431.7000109.3
371P45.6Very low29.5Very low106 Ų106131.9 Ų131.969%0.68877%0.769SS**  -157.3141.5102.937.5-17.3000118.7
372V33.8Very low29.4Very low131 Ų131128.2 Ų128.279%0.79477%0.769SS**  trans71.7138.2131172.10000117.8
373A32.3Very low29.7Very low85 Ų85128 Ų12870%0.70277%0.767SS**  cis-140.4178.914.600000111
374R28.6Very low30Very low214 Ų214132.6 Ų132.681%0.80877%0.769SS**  cis-160.214314.6-167.5170.1-177176.47.5113.1
375D29.6Very low30.5Very low132 Ų132137.3 Ų137.371%0.70678%0.777SS**  trans34.2133.9154.6-48.6-27.5000123
376G30.6Very low30.7Very low72 Ų72135 Ų13574%0.74277%0.765SS**  trans-100.9-160.417300000114.7
377P37.2Very low31.4Very low118 Ų118132.6 Ų132.677%0.76677%0.765SS**  -153.5156.977.540.9-22.1000119.6
378L26.7Very low32.5Very low152 Ų152128.6 Ų128.680%0.79676%0.756SS**  trans45.8113.1136.6-59172.8000124
379S25.8Very low32.7Very low104 Ų104131.6 Ų131.673%0.72776%0.761SS**  64.4156.5109.1-52.40000125
380Q25.4Very low33.9Very low176 Ų176137 Ų13782%0.82277%0.766SS**  trans74.9119165.9-66.9-172.1200116.4
381T24.8Very low34.6Very low124 Ų124139.2 Ų139.276%0.76177%0.772SS**  cis87.2137.149.462.20000114.9
382S29.3Very low34.3Very low122 Ų122141.5 Ų141.585%0.85378%0.779SS**  trans74.4138.5-171.1-148.40000111.9
383S31.2Very low34.8Very low109 Ų109140.4 Ų140.476%0.76278%0.783SS**  cis-142.917236.4540000116.6
384K32Very low35.4Very low193 Ų193141.6 Ų141.684%0.83979%0.786SS**  trans-34.3151.6179-59174.2175.7179.20117.6
385L34.8Very low35.9Very low169 Ų169140.8 Ų140.889%0.88579%0.789SS**  trans-55.5138.4150.1-73.2160.5000110.7
386D34Very low36.6Very low111 Ų111142.2 Ų142.259%0.59480%0.796SS**  trans-121.8109.3164.1-172.8-23.2000108.1S388D386-S388 VanDerWaalsContact CG-OG 3.25Å; D386-S388 PolarHBondContact O-N 3.41Å; D386-S388 VanDerWaalsContact O-N 3.16Å; D386-S388 VanDerWaalsContact OD1-CB 3.26Å; D386-S388 WeakPolarHBondContact OD1-CB 3.22Å; D386-S388 PolarHBondContact OD1-N 3.5Å; D386-S388 VanDerWaalsContact OD1-N 3.1Å; D386-S388 PolarHBondContact OD1-OG 2.95Å; D386-S388 PolarHBondContact OD2-OG 3.23Å
387P40.1Very low37.5Very low123 Ų123142.7 Ų142.780%0.79979%0.786SS**G310 helixtrans-70.53-177.8-22.735.5000116.3Q389P387-Q389 PolarHBondContact O-N 3.19Å
388S48.8Very low37.6Very low87 Ų87146.8 Ų146.861%0.60879%0.793SS**G310 helixtrans-86.65.7-166.262.70000117.3D386D386-S388 VanDerWaalsContact CG-OG 3.25Å; D386-S388 PolarHBondContact O-N 3.41Å; D386-S388 VanDerWaalsContact O-N 3.16Å; D386-S388 VanDerWaalsContact OD1-CB 3.26Å; D386-S388 WeakPolarHBondContact OD1-CB 3.22Å; D386-S388 PolarHBondContact OD1-N 3.5Å; D386-S388 VanDerWaalsContact OD1-N 3.1Å; D386-S388 PolarHBondContact OD1-OG 2.95Å; D386-S388 PolarHBondContact OD2-OG 3.23Å
389Q48.3Very low37.7Very low164 Ų164142.8 Ų142.877%0.76679%0.789SS**G310 helixtrans-118.320.5-170.2-62.1-168.41.600115.9P387P387-Q389 PolarHBondContact O-N 3.19Å
390W47.9Very low38.1Very low251 Ų251143.7 Ų143.795%0.95180%0.795SS**  trans-94.9-6.7178-80.321.1000114.6N392W390-N392 PolarHBondContact O-N 3.28Å
391E40.8Very low38.6Very low181 Ų181144.4 Ų144.485%0.84680%0.798SS**  trans-90.580.8169.5-67.1-170162.700111.4
392N39.3Very low38.8Very low154 Ų154143.4 Ų143.482%0.82480%0.796SS**  trans-175.998.9147.1-104-64.9000111.4W390 S394W390-N392 PolarHBondContact O-N 3.28Å; N392-S394 PolarHBondContact O-N 2.84Å; N392-S394 VanDerWaalsContact O-N 3.15Å
393A42.8Very low39Very low108 Ų108144.8 Ų144.889%0.89379%0.792SS**  trans-87.475.1-175.300000113.2
394S46.3Very low39.3Very low109 Ų109146.1 Ų146.176%0.76279%0.79SS**  trans-174.848.9159.544.20000115.7N392N392-S394 PolarHBondContact O-N 2.84Å; N392-S394 VanDerWaalsContact O-N 3.15Å
395F37.8Very low39.4Very low198 Ų198145.1 Ų145.187%0.86879%0.788SS**  trans-133.6119.1166.5-118-92.5000112.6
396N44.8Very low39.2Very low161 Ų161144.9 Ų144.986%0.86179%0.788SS**  trans-135.5100.1172.1-134.8-3000108.2
397P48.8Very low39Very low82 Ų82145 Ų14553%0.53280%0.797SS.*  trans-78.3146.9179.932.2-33.6000110.9
398F38.9Very low38.6Very low204 Ų204145.5 Ų145.590%0.89580%0.801SS**  trans64.8137-174.2-39.7-78.9000114.1
399G30.2Very low37.6Very low69 Ų69146.7 Ų146.771%0.71181%0.809SS**  cis178.3140.2-4.900000110.1
400S33.3Very low36.8Very low123 Ų123147.2 Ų147.286%0.8682%0.816SS**  trans-65.1144.9-168.7-45.50000114.8
401H36.9Very low35.9Very low191 Ų191140.5 Ų140.588%0.88481%0.807SS**  -161.5156.612744.9-74.6000111.2
402S29.5Very low35.3Very low102 Ų102137 Ų13771%0.71380%0.803SS**  trans-111.9156.5-178.9173.10000109.9
403I33.3Very low35Very low152 Ų152139.5 Ų139.578%0.77981%0.81SS**  trans-178.1125.8133.5-95.8153.2000111.2
404L36.4Very low34.4Very low137 Ų137137.9 Ų137.972%0.71780%0.803SS**  trans41.8100.4157.4-56.3174.2000118.4
405Q34.5Very low33.6Very low171 Ų171138.5 Ų138.580%0.79981%0.807SS**  62.6107.685.6-73.4-167.1-17.500116.1
406N30.8Very low33.4Very low165 Ų165139 Ų13988%0.88281%0.805SS**  trans-167.9152.8137.7-106.4-70.8000110.1
407S29.1Very low33.1Very low112 Ų112139 Ų13978%0.78380%0.799SS**  trans69.6124.6178.3-54.20000117.4
408P32.3Very low32.6Very low135 Ų135143.4 Ų143.488%0.87781%0.811SS**  trans-96.4163.6-179.838-35.4000114.1
409S28Very low32.8Very low112 Ų112138.9 Ų138.978%0.78380%0.796SS**  trans-130.7119.6171.1580000112.2
410L31.1Very low33.6Very low175 Ų175139.9 Ų139.992%0.91679%0.79SS**  trans11.2116.2160.4-54.5177.4000119.6
411S28.5Very low34.2Very low109 Ų109141.4 Ų141.476%0.76279%0.788SS**  trans-158.4116.7147.9-68.90000105.2
412S29.6Very low34.6Very low109 Ų109138.6 Ų138.676%0.76278%0.78SS**  77.360.162.879.10000114.7
413E31.4Very low35.1Very low206 Ų206142.9 Ų142.996%0.96379%0.786SS**  trans-158.6147.1143.5-115.1179.311700110.2
414G30.5Very low35.6Very low73 Ų73141.8 Ų141.875%0.75378%0.781SS**  trans163.752.2-169.300000112.6Y416G414-Y416 PolarHBondContact O-N 3.45Å
415S30.6Very low35.9Very low122 Ų122144.6 Ų144.685%0.85379%0.791SS**  trans-61.1122.8179.9-174.10000110.9
416Y32Very low36.7Very low210 Ų210140.5 Ų140.582%0.82478%0.781SS**  trans-102.298.6174.4-155-92.8000109.1G414 F418G414-Y416 PolarHBondContact O-N 3.45Å; Y416-F418 PolarHBondContact O-N 2.82Å
417H39.6Very low37.3Very low159 Ų159138.8 Ų138.874%0.73678%0.777SS**  trans-70.6118.4176.5-171.5-28.8000108.8
418F39.1Very low38.1Very low176 Ų176137.4 Ų137.477%0.77276%0.76SS**  trans-80.7127.4168.5-135.2-90.2000108.3Y416Y416-F418 PolarHBondContact O-N 2.82Å
419D42.6Very low38.7Very low108 Ų108136.1 Ų136.158%0.57875%0.752SS**  trans-114.9114.6178.3-170-6.6000108.2D421D419-D421 VanDerWaalsContact C-N 3.34Å; D419-D421 PolarHBondContact O-N 3.3Å
420P45.6Very low39.2Very low90 Ų90139.4 Ų139.458%0.58475%0.753SS**THydrogen-bonded Turntrans-70.7-22.1-170.9-22.134.7000115.8N422P420-N422 PolarHBondContact O-N 2.93Å
421D46.8Very low39.9Very low155 Ų155138.4 Ų138.483%0.82974%0.741SS**THydrogen-bonded Turntrans-96.919.3-161.4-72-34.3000114.8D419D419-D421 VanDerWaalsContact C-N 3.34Å; D419-D421 PolarHBondContact O-N 3.3Å
422N45.4Very low40.2Very low132 Ų132139.2 Ų139.271%0.70674%0.743SS**  trans-134.489.5177.6-168.613.2000113.7P420P420-N422 PolarHBondContact O-N 2.93Å
423F39.8Very low40.3Very low193 Ų193140.5 Ų140.585%0.84675%0.747SS**  trans-93.9103170.1-82.6-99.8000111
424D43.3Very low40.3Very low128 Ų128136.2 Ų136.268%0.68474%0.735SS**  trans-9393.5168.5-1702.1000110.4S426D424-S426 VanDerWaalsContact C-N 3.32Å; D424-S426 PolarHBondContact O-N 2.93Å; D424-S426 VanDerWaalsContact O-N 3.08Å; D424-S426 PolarHBondContact OD1-OG 2.88Å
425E42.8Very low40.3Very low196 Ų196138.3 Ų138.392%0.91673%0.733SS**  trans-84.959.4-171.9-163.3-176.7-175.500112.5
426S52.8Low40.3Very low85 Ų85141 Ų14159%0.59474%0.737SS**  trans-137.911.6-172.789.60000118.2D424D424-S426 VanDerWaalsContact C-N 3.32Å; D424-S426 PolarHBondContact O-N 2.93Å; D424-S426 VanDerWaalsContact O-N 3.08Å; D424-S426 PolarHBondContact OD1-OG 2.88Å
427V43.6Very low40.2Very low130 Ų130137 Ų13779%0.78873%0.734SS**  trans-124.587.3-178.4-166.10000113P429V427-P429 WeakPolarHBondContact O-CD 3.12Å
428D44.1Very low39.6Very low82 Ų82135.2 Ų135.244%0.43974%0.74SS.*  trans-73.3119.8171.7170.85.7000111.5F430 K431D428-F430 VanDerWaalsContact C-N 3.3Å; D428-F430 PolarHBondContact O-N 3.49Å; D428-F430 PolarHBondContact OD1-N 3.45Å; D428-K431 VanDerWaalsContact OD2-CE 3.27Å; D428-K431 WeakPolarHBondContact OD2-CE 3.4Å; D428-K431 IonicContact OD2-NZ 2.8Å; D428-K431 PolarHBondContact OD2-NZ 3.24Å
429P45.6Very low39.3Very low109 Ų109131.2 Ų131.271%0.70873%0.734SS**SBendtrans-71.9-9.9-177.4-19.633.2000116.4V427V427-P429 WeakPolarHBondContact O-CD 3.12Å
430F37.7Very low38.7Very low181 Ų181132.1 Ų132.179%0.79474%0.739SS**  trans-124.753.9-164.3-73.1-73.4000115.4D428D428-F430 VanDerWaalsContact C-N 3.3Å; D428-F430 PolarHBondContact O-N 3.49Å; D428-F430 PolarHBondContact OD1-N 3.45Å
431K46.7Very low37.9Very low154 Ų154136.7 Ų136.767%0.6775%0.75SS**  trans-117.6118170.6-77.4178172117.20113.4D428D428-K431 VanDerWaalsContact OD2-CE 3.27Å; D428-K431 WeakPolarHBondContact OD2-CE 3.4Å; D428-K431 IonicContact OD2-NZ 2.8Å; D428-K431 PolarHBondContact OD2-NZ 3.24Å
432P33.8Very low37Very low125 Ų125135 Ų13581%0.81275%0.749SS**  trans-80.9121174.131.5-31.5000110.7
433T32.6Very low36.4Very low136 Ų136133.8 Ų133.883%0.83475%0.751SS**  trans-98.5113.3177.4-54.70000110.7
434T31.1Very low37.4Very low117 Ų117130.3 Ų130.372%0.71875%0.748SS**  trans-93.7167.7168.944.40000111.3
435T30.6Very low37.7Very low117 Ų117130 Ų13072%0.71875%0.753SS**  trans61.8115.8175.626.90000117.6
436L31.6Very low36.9Very low178 Ų178123.5 Ų123.593%0.93274%0.738SS**  trans-120.8130.6137.3-79179.2000108.5
437T29.2Very low35.9Very low125 Ų125127 Ų12777%0.76775%0.75SS**  trans-103.3173.217150.30000110.3
438S27.6Very low35.3Very low123 Ų123128.7 Ų128.786%0.8675%0.749SS**  trans105.6145.5158.1-151.40000116.6
439S31.2Very low34.9Very low92 Ų92129.6 Ų129.664%0.64376%0.757SS**  trans-138.2144.1-160.754.40000111.5
440D30.2Very low34.3Very low127 Ų127130.1 Ų130.168%0.67975%0.754SS**  trans73.2123.3134.6-724.1000123.2
441F28.9Very low34Very low185 Ų185128.5 Ų128.581%0.81175%0.749SS**  trans60.7145.8146.9-55.4-56.6000119.9
442C27.8Very low33.5Very low119 Ų119127.7 Ų127.780%0.80475%0.751SS**  cis-155.9176.88.6-146.50000112.5
443S33.3Very low33.6Very low107 Ų107128.5 Ų128.575%0.74875%0.747SS**  trans-117.5-170.4-176.3-32.70000112.1
444P61.2Low33.4Very low121 Ų121128.6 Ų128.679%0.78674%0.739SS**  cis-112.4-99.9-15.431.7-9.4000111.1
445P49.7Very low33.4Very low121 Ų121127.2 Ų127.279%0.78673%0.734SS**  cis-124.7-175.3-14.343.2-27000115.2
446G26.5Very low34.1Very low59 Ų59125.2 Ų125.261%0.60872%0.722SS**  trans90.268151.200000118.4
447N30Very low34.3Very low160 Ų160125.4 Ų125.486%0.85672%0.716SS**  70.2123.191.3-65.4-9.8000116.6
448H32.6Very low34.5Very low165 Ų165128.8 Ų128.876%0.76472%0.72SS**  170.7124.7100.3-158.1-121.2000113.2
449V34.4Very low34.6Very low100 Ų100127.3 Ų127.361%0.60672%0.715SS**  trans49.8159153.9-55.60000121.7
450N33.6Very low34.8Very low121 Ų121133 Ų13365%0.64773%0.728SS**  cis-153.2141-22.3-105.110.4000106
451E31.1Very low34.9Very low147 Ų147133 Ų13369%0.68774%0.739SS**  78.4152.466.7-149.3-163.6-157.600114.1
452I36Very low35.6Very low137 Ų137135 Ų13570%0.70374%0.741SS**  trans83.4127.6167.4-57.8176.9000116.5
453L35.4Very low35.9Very low141 Ų141136.4 Ų136.474%0.73874%0.739SS**  cis-177.8166.1-27.4-129.671.2000105.7
454E29.6Very low36.2Very low139 Ų139138.5 Ų138.565%0.6574%0.741SS**  cis-161174-6.6-151.3-78.7100.900107.1
455S29.9Very low35.2Very low88 Ų88138.7 Ų138.762%0.61574%0.74SS**  trans102.3150.4133.788.70000121.3
456P46.3Very low34.5Very low74 Ų74137.7 Ų137.748%0.48174%0.735SS.*  -145.2160.1-5137.9-23.1000114.6
457K35.7Very low34.8Very low183 Ų183138.8 Ų138.880%0.79675%0.747SS**  147.2114.6127.6-78.7146.9-170.81470116.4
458K32.6Very low35Very low195 Ų195137.7 Ų137.785%0.84875%0.75SS**  trans53.597.4131.8-61.5-175.4177.2-179.20121.2
459A30.2Very low35.2Very low93 Ų93139 Ų13977%0.76975%0.754SS**  58.2145.1107.800000123.1
460K35Very low35.1Very low210 Ų210140.1 Ų140.191%0.91376%0.761SS**  trans85.2117.7168.7-59.5177.6178177.10117.6
461S33.3Very low35Very low128 Ų128143.6 Ų143.690%0.89577%0.77SS**  -137126.5116.4-171.90000109.7
462R43.3Very low35.2Very low227 Ų227144.8 Ų144.886%0.85777%0.773SS**  trans-149116174.8-168.3-173.3-166.3-173.37.1108.2
463L35Very low35Very low148 Ų148146.2 Ų146.278%0.77578%0.776SS**  trans47.4101.3148.7-160.1171.5000117.8
464I38.8Very low34.5Very low151 Ų151147 Ų14777%0.77478%0.776SS**  trans-148.6142.4151.3-1.5176.9000105.2
465T40.4Very low34.6Very low126 Ų126146.4 Ų146.477%0.77378%0.782SS**  cis-129.7129.322.8430000111.2
466S33.8Very low34.7Very low99 Ų99150 Ų15069%0.69279%0.789SS**  cis88.3115.849.776.20000113.9
467G33.5Very low33.7Very low83 Ų83152.4 Ų152.486%0.85681%0.808SS**  trans-169.927.3-176.100000117.8
468C33.6Very low33.7Very low136 Ų136152 Ų15292%0.91981%0.813SS**  trans-82.7127.4178.6-60.30000112.6
469K38.6Very low33.5Very low192 Ų192146.1 Ų146.184%0.83580%0.802SS**  trans-157.6117.8161.4-148.1163.4-178.2173.60112.9
470V31.4Very low33.5Very low124 Ų124149.6 Ų149.675%0.75281%0.806SS**  trans49126134.7-179.70000117.3
471K30.7Very low33.3Very low194 Ų194146.2 Ų146.284%0.84380%0.798SS**  cis-159.9175.134.4-146.1171.5-179-171.50111.8
472K36.8Very low33.2Very low172 Ų172143.8 Ų143.875%0.74879%0.786SS**  trans-115.2173.5158.9-91.3-164.7173.6-171.80110.7
473H30.6Very low32.5Very low167 Ų167139 Ų13977%0.77379%0.786SS**  trans75141176.4-50-83.2000113.7
474E25.1Very low32.8Very low158 Ų158136.4 Ų136.474%0.73878%0.78SS**  cis-137.3175.95.7-117154.811100109
475T31.9Very low32.6Very low126 Ų126136.8 Ų136.877%0.77378%0.779SS**  cis-148.417430.8-30.30000112.7
476Q31.8Very low32.1Very low164 Ų164137.2 Ų137.277%0.76678%0.776SS**  trans-76.6159.2-164.4-56.3153.5-17.600117.1
477S26.1Very low32.3Very low125 Ų125140.2 Ų140.287%0.87478%0.779SS**  -162.4147.9122.1-82.60000114.4
478L34.4Very low32.4Very low173 Ų173139.3 Ų139.391%0.90677%0.77SS**  trans-51.8164179.2-66166.1000115.9
479A29Very low32.7Very low73 Ų73136.3 Ų136.360%0.60376%0.755SS**  cis-174.1161.9-4.700000112.4
480L31.4Very low32.8Very low166 Ų166133.2 Ų133.287%0.86975%0.752SS**  trans50.8162144.1-63.8171.7000121.1
481D29Very low32.8Very low138 Ų138135 Ų13574%0.73876%0.755SS**  cis-174.1160.8-26.1-177.830.8000110
482A31.7Very low33Very low77 Ų77130.4 Ų130.464%0.63675%0.748SS**  trans59.9157165.400000119.1
483C29.7Very low32.7Very low126 Ų126131 Ų13185%0.85175%0.753SS**  cis-170.4165-23.7-98.50000105.5
484S40.3Very low32.8Very low94 Ų94129.7 Ų129.766%0.65775%0.75SS**  cis-152.5-146.5-0.542.90000105.1
485Q35.7Very low33.2Very low160 Ų160126.8 Ų126.875%0.74875%0.748SS**  cis-163.7-173.1-11.7-134.6158.3-97.500104.6
486D28.1Very low33.3Very low134 Ų134127 Ų12772%0.71774%0.744SS**  cis-159-1732.1-144.5-35.3000109.8
487E39.4Very low33.5Very low162 Ų162125.8 Ų125.876%0.75774%0.741SS**  trans-83.1174.5163.9-97.7-86.2-10400112.3
488G35.5Very low33.8Very low65 Ų65125.3 Ų125.367%0.6774%0.738SS**  cis167.6-1695.400000109.4
489A39.7Very low34Very low72 Ų72122.9 Ų122.960%0.59573%0.726SS**  cis-177.1-164-18.500000109
490V39.6Very low34.4Very low127 Ų127129.2 Ų129.277%0.7773%0.734SS**  trans82.5106155-1770000121.5
491I32.8Very low34.7Very low162 Ų162127.2 Ų127.283%0.83172%0.724SS**  trans78.6159139.3-67175.7000122.1
492S34.3Very low35.3Very low97 Ų97123.2 Ų123.268%0.67872%0.716SS**  trans-127.6159.9-157.2420000116.3
493Q31.5Very low35.6Very low186 Ų186128.9 Ų128.987%0.86973%0.729SS**  trans-173.6129.7152.5-127.8161.8-11.200108
494I32.4Very low36.7Very low139 Ų139127.7 Ų127.771%0.71373%0.728SS**  cis109.6131.127.6-73167.5000112
495S33Very low37.2Very low97 Ų97129.6 Ų129.668%0.67874%0.736SS**  trans75.5149.2160.1-73.80000120.7
496D34.8Very low38.3Very low130 Ų130128.2 Ų128.270%0.69573%0.733SS**  cis-164.7175-17.9-122.3-48.9000117.4
497I34.5Very low39.8Very low139 Ų139129 Ų12971%0.71373%0.733SS**  trans-22.6152.4168.550.2160.8000122.5
498S33.3Very low40.3Very low115 Ų115129 Ų12980%0.80473%0.733SS**  166.4152.1118.5-176.90000113.1
499N39Very low41.3Very low122 Ų122133.2 Ų133.265%0.65273%0.733SS**  cis-176139.6-41.4-146.3-29.7000108.8
500R37.3Very low41.6Very low206 Ų206137.9 Ų137.978%0.77775%0.747SS**  trans62171.2170.5-39-172.467.492.410.8116.2
501D38Very low41.3Very low124 Ų124136.5 Ų136.566%0.66375%0.748SS**  cis-140.6176.6-15.4-138.5-38.4000109.8
502G41.1Very low41.4Very low54 Ų54133.5 Ų133.556%0.55774%0.742SS**  trans-90.1-164.7-171.600000118
503H38.2Very low41.3Very low196 Ų196134.5 Ų134.591%0.90774%0.744SS**  trans92.5132.5175.8-54.6-71.2000117.5
504A51.6Low41.3Very low100 Ų100131.1 Ų131.183%0.82674%0.741SS**  trans-109.3142.7175.300000109.5
505T51.8Low41.4Very low135 Ų135129 Ų12983%0.82874%0.737SS**  trans-131.4124.8167.6480000109
506D59.5Low41.5Very low130 Ų130128.4 Ų128.470%0.69575%0.747SS**  trans-49.7137.4157.9156.244.7000111.3E508D506-E508 PolarHBondContact OD1-N 2.83Å
507E58.8Low41.5Very low151 Ų151130.9 Ų130.971%0.70675%0.754SS**  trans-152.3103.6143.4-89-141.4168.800109.6K509E507-K509 VanDerWaalsContact CD-NZ 3.28Å; E507-K509 IonicContact OE1-NZ 2.87Å; E507-K509 IonicContact OE2-NZ 3.79Å; E507-K509 PolarHBondContact OE2-NZ 3.46Å
508E49.5Very low41.8Very low162 Ų162134 Ų13476%0.75776%0.762SS**  trans-73.6135.7164.455.9-175.2128.400112.5D506D506-E508 PolarHBondContact OD1-N 2.83Å
509K56.3Low41.6Very low154 Ų154134.2 Ų134.267%0.6776%0.764SS**  trans-139.6128.5175.6-72.3-65.4-179.6-63.10110.6E507E507-K509 VanDerWaalsContact CD-NZ 3.28Å; E507-K509 IonicContact OE1-NZ 2.87Å; E507-K509 IonicContact OE2-NZ 3.79Å; E507-K509 PolarHBondContact OE2-NZ 3.46Å
510L45.7Very low41.1Very low170 Ų170133.4 Ų133.489%0.8977%0.774SS**  trans-85.9171-179.4-63.4174000112.3
511A34.4Very low40.8Very low97 Ų97126.6 Ų126.680%0.80277%0.768SS**  trans76.5142.617700000115.2
512S34.3Very low40.7Very low100 Ų100124.6 Ų124.670%0.69977%0.769SS**  cis-156.7156.1-0.2-134.40000114.7
513T33.5Very low40.1Very low118 Ų118130.5 Ų130.572%0.72478%0.782SS**  trans17.7131.6145.860.90000120.6
514S29.7Very low40Very low115 Ų115127.3 Ų127.380%0.80478%0.776SS**  150.3161.9101.563.90000115.3
515C34.9Very low39.1Very low94 Ų94130.2 Ų130.264%0.63577%0.77SS**  trans47.693.7155.7-156.10000119.3
516G36.2Very low38Very low85 Ų85127.5 Ų127.588%0.87677%0.768SS**  trans-82.8124.3147.900000110
517Q33.2Very low36.6Very low181 Ų181127.3 Ų127.385%0.84676%0.764SS**  trans-109.5134.2-178.1-147.7175.5-73.500111.5
518K41.1Very low36.1Very low205 Ų205124.7 Ų124.789%0.89176%0.759SS**  trans-86.6154.9-170.7-71.9-179.3176.4177.50114.7
519S30.1Very low35.6Very low120 Ų120125.1 Ų125.184%0.83976%0.762SS**  trans-157.3156.4133.7580000108.7
520A28.5Very low34.7Very low104 Ų104126.7 Ų126.786%0.8677%0.771SS**  cis-167.2157.9-30.600000105.8
521G30.8Very low34.4Very low64 Ų64125.9 Ų125.966%0.6677%0.768SS**  cis-160.3162.3-5.300000108.1
522A36.4Very low34.8Very low82 Ų82129.9 Ų129.968%0.67878%0.775SS**  96.5145.485.100000112.3
523E28.4Very low35.1Very low177 Ų177133.4 Ų133.483%0.82778%0.78SS**  cis-179.7163.1-15.7-109.8134.254.900106.5
524V34.3Very low35.3Very low129 Ų129139 Ų13978%0.78279%0.79SS**  cis-169.3168.9-10.383.10000105.9
525K34.3Very low35.4Very low162 Ų162141.6 Ų141.670%0.70479%0.787SS**  cis-152.7177.5-6.4-152.6-173.1-164.3-152.70106.8E527K525-E527 HydrophobicContact CD-CG 3.97Å; K525-E527 WeakPolarHBondContact CE-OE1 3.35Å; K525-E527 IonicContact NZ-OE1 3.96Å; K525-E527 PolarHBondContact NZ-OE1 3.15Å
526G27.8Very low35.6Very low77 Ų77145.6 Ų145.679%0.79480%0.796SS**  trans-166.4105.5169.200000112.7
527E30.4Very low35.3Very low127 Ų127147 Ų14759%0.59379%0.791SS**  trans-100.2177.9-172.4-72.7-65159.500111.3K525K525-E527 HydrophobicContact CD-CG 3.97Å; K525-E527 WeakPolarHBondContact CE-OE1 3.35Å; K525-E527 IonicContact NZ-OE1 3.96Å; K525-E527 PolarHBondContact NZ-OE1 3.15Å
528P49Very low35.4Very low95 Ų95143.1 Ų143.162%0.61778%0.784SS**  cis-144.2168.117.544.6-26.1000120
529E37.4Very low35.1Very low172 Ų172141.2 Ų141.280%0.80478%0.784SS**  trans57.2160138.4-68.8167.6154.300120
530E39.2Very low35.3Very low187 Ų187141.5 Ų141.587%0.87478%0.78SS**  cis-128.6160.414.5-67175159.900113.3
531D38.2Very low35.8Very low152 Ų152142 Ų14281%0.81377%0.774SS**  trans-87.4158.1176.3-77.5-59.9000114.1
532L43.9Very low35.7Very low181 Ų181145.9 Ų145.995%0.94879%0.785SS**  trans-138123.4147-81.5-176.9000111
533E40.8Very low35.5Very low175 Ų175147.2 Ų147.282%0.81879%0.79SS**  trans-76.7153-175.5-55175.2132.400112.9
534Y35.6Very low35.7Very low234 Ų234144.3 Ų144.392%0.91878%0.784SS**  trans-134.7138.9155.2-161.8-95.3000110.8
535F32.5Very low35.9Very low171 Ų171146 Ų14675%0.7579%0.787SS**  trans-73.2134.7-165.1-107.4-111.5000113.8
536E39.2Very low35.8Very low178 Ų178144.3 Ų144.383%0.83279%0.786SS**  trans-84.1136.8164.1-175.3178-176.800109.8
537C31.1Very low35.9Very low113 Ų113149.7 Ų149.776%0.76479%0.79SS**  trans-133.8130.7171.8-87.50000110.7
538S34.8Very low36.1Very low101 Ų101146.9 Ų146.971%0.70679%0.788SS**PPolyproline II helixtrans-83.4141.3-159.9-43.30000114.4
539N33.7Very low35.1Very low164 Ų164152.6 Ų152.688%0.87780%0.804SS**PPolyproline II helixtrans-93.7117.4159.2-78.1-62.1000109.8
540V33.9Very low34.8Very low126 Ų126149.3 Ų149.376%0.76480%0.8SS**PPolyproline II helixtrans-98.3123.7176.2-179.90000109.6
541P39.1Very low34.3Very low114 Ų114145.8 Ų145.874%0.7480%0.796SS**PPolyproline II helixtrans-77.5124.6179.230.1-33.5000111.8S543P541-S543 PolarHBondContact O-N 2.98Å
542V29.3Very low34Very low146 Ų146143 Ų14389%0.88579%0.789SS**PPolyproline II helixtrans-73.7123171.8176.10000109.6
543S32.5Very low33.4Very low111 Ų111142 Ų14278%0.77678%0.779SS**PPolyproline II helixtrans-87.9138.4176.5-710000112.5P541P541-S543 PolarHBondContact O-N 2.98Å
544T31.9Very low33Very low115 Ų115138 Ų13871%0.70678%0.775SS**PPolyproline II helixtrans-68.2139.8-179-48.60000113.4
545I38.7Very low32.7Very low166 Ų166130.6 Ų130.685%0.85177%0.77SS**  trans-115.5126.8152.1-68.3-179.7000107.7
546N33.5Very low32.9Very low126 Ų126129.5 Ų129.567%0.67477%0.771SS**  trans-78.4151.2-177.5-52.7-71.3000111.2
547H29.9Very low32.6Very low189 Ų189128.9 Ų128.988%0.87577%0.768SS**  -159.4149114.4-118.6-86.7000113.6
548A33.9Very low32.8Very low68 Ų68131 Ų13156%0.56276%0.764SS**  trans-46.4147.7-172.700000117.4
549F28.1Very low32.6Very low216 Ų216133 Ų13395%0.94776%0.762SS**  -151.1-179.689.4-96.7-70.2000111.3
550S31.1Very low32.3Very low103 Ų103130.4 Ų130.472%0.7275%0.753SS**  trans-129.9157.3-154.3-171.40000113.6
551S28.5Very low32.1Very low113 Ų113129.8 Ų129.879%0.7975%0.752SS**  trans70.3152.1164-670000117.3
552S32.6Very low31.7Very low94 Ų94133 Ų13366%0.65776%0.757SS**  cis-165.4-175.3-23.8-162.30000108.3
553E31.4Very low32Very low160 Ų160135 Ų13575%0.74875%0.754SS**  trans70.6100150-116.655.7-141.800120.3
554A32.5Very low32Very low90 Ų90137.6 Ų137.674%0.74476%0.756SS**  50.7124.2123.500000122.2
555G29Very low32.2Very low78 Ų78141.1 Ų141.180%0.80477%0.765SS**  trans81.5166.9158.200000114.8
556I36.9Very low32Very low149 Ų149142.1 Ų142.176%0.76477%0.766SS**  cis-140.4143.111.9-74.1171.6000109.2
557E31.4Very low31.9Very low165 Ų165144 Ų14477%0.77178%0.776SS**  trans19.1137.7152-63.8156.9-118.900122.6
558K36.9Very low31.9Very low158 Ų158138.7 Ų138.769%0.68777%0.772SS**  31.2145123.1-70.7173.3155.6-80.60119.6
559E29.8Very low31.7Very low141 Ų141140.4 Ų140.466%0.65978%0.78SS**  cis-168.6172.23.4-125.2163.7172.800111.9
560T26.8Very low31.6Very low111 Ų111135.9 Ų135.968%0.68177%0.77SS**  trans49.197.8143-52.10000120.6
561C30.6Very low31.5Very low112 Ų112136.7 Ų136.776%0.75777%0.77SS**  40.2147.7117.3-54.20000124
562Q31.3Very low31.7Very low181 Ų181139.6 Ų139.685%0.84678%0.776SS**  trans83.2103.3152.3-73.3-178.324.100121
563K35.5Very low31.4Very low188 Ų188138.2 Ų138.282%0.81778%0.777SS**  55114.7113.1-171-164.3177.3-173.50118.9
564M31.8Very low31.3Very low167 Ų167138.9 Ų138.982%0.82378%0.784SS**  -166.3171.2112.2-104.4-178.869.600112.1
565E35.8Very low31.1Very low189 Ų189141.7 Ų141.788%0.88379%0.786SS**  trans-89.8-178.3175.4-63.3-169.5137.400112.3
566E34.4Very low31.1Very low186 Ų186147.4 Ų147.487%0.86979%0.792SS**  trans114.7150.9154.4-150.7165.9178.700116.4
567D31.5Very low30.7Very low167 Ų167145.5 Ų145.589%0.89379%0.792SS**  trans-63.2148-158.8-81.5-57.3000116.5
568G30.7Very low30.7Very low76 Ų76143.5 Ų143.578%0.78480%0.796SS**  trans-179.884.317200000116.8
569S28.9Very low30.7Very low105 Ų105140.2 Ų140.273%0.73480%0.799SS**  trans-21.2138.9163.1173.60000117.3
570T25.8Very low30.8Very low121 Ų121141.3 Ų141.374%0.74280%0.804SS**  174101.2109.3-700000114.8
571V30.2Very low31.3Very low120 Ų120144.7 Ų144.773%0.72781%0.809SS**  trans69.8143.4134.3173.80000121.9
572L31.1Very low31.2Very low174 Ų174144 Ų14491%0.91181%0.811SS**  trans74.5117.4170.8-76.9160.4000118
573G26.6Very low31.7Very low65 Ų65140.5 Ų140.567%0.6781%0.813SS**  cis158164.8-14.500000115.4
574L29.5Very low31.6Very low173 Ų173137.6 Ų137.691%0.90681%0.811SS**  trans63.9129.3167.5-119.161.5000116.1
575L28.5Very low31.9Very low150 Ų150135.5 Ų135.579%0.78581%0.813SS**  cis-151.6127.87.6-177.171.5000109.9
576E28.6Very low32Very low197 Ų197132.8 Ų132.892%0.92181%0.809SS**  trans-137.7127.3161.7-170.3170.2-137.300108.9
577S28.5Very low31.8Very low110 Ų110128.9 Ų128.977%0.76980%0.802SS**  trans-108.790.8-168.158.50000111.9
578S31.1Very low32.2Very low123 Ų123127.1 Ų127.186%0.8680%0.801SS**  trans-77.4161.3165.3-166.90000111.4
579A37.3Very low32.3Very low89 Ų89126.6 Ų126.674%0.73680%0.796SS**  trans-88.7145-175.900000112.8
580E31.6Very low32.9Very low163 Ų163125.6 Ų125.676%0.76280%0.803SS**  trans-154.4-179.8130.8-111.3-137.6104.400113.5
581K38.3Very low33.5Very low183 Ų183128.4 Ų128.480%0.79681%0.807SS**  trans-82.6147.7-154.2-45178.5-16877.90114.3
582A28.1Very low34.6Very low97 Ų97127.5 Ų127.580%0.80281%0.806SS**  trans-141.3143145.600000109.5
583A41.8Very low35.7Very low108 Ų108125 Ų12589%0.89380%0.8SS**  trans-85.1130.4-178.800000111.3
584V33.5Very low36.8Very low127 Ų127128.7 Ų128.777%0.7780%0.804SS**  trans-120.6115.5167.1178.40000108.5V586V584-V586 HydrophobicContact CG1-CG2 4.39Å; V584-V586 PolarHBondContact O-N 3.48Å
585S39.1Very low37.6Very low122 Ų122126.8 Ų126.885%0.85380%0.795SS**  trans-74.4107.6173.753.70000110.4
586V37.5Very low38.8Very low132 Ų132123.2 Ų123.280%0.879%0.794SS**  trans-99.2133.2163.3178.60000108.3V584V584-V586 HydrophobicContact CG1-CG2 4.39Å; V584-V586 PolarHBondContact O-N 3.48Å
587S29.6Very low40Very low105 Ų105119.5 Ų119.573%0.73478%0.779SS**  trans-64.1146.4-170.1-169.60000113.1G589S587-G589 VanDerWaalsContact C-N 3.26Å; S587-G589 PolarHBondContact O-N 3.48Å
588C39.5Very low41.2Very low129 Ų129120.8 Ų120.887%0.87279%0.787SS**  trans-66.986160.6-63.20000109.9G590C588-G590 PolarHBondContact O-N 2.98Å
589G32.8Very low42.3Very low65 Ų65118.5 Ų118.567%0.6777%0.765SS**  trans-73.696.7162.800000109.4S587 E591S587-G589 VanDerWaalsContact C-N 3.26Å; S587-G589 PolarHBondContact O-N 3.48Å; G589-E591 PolarHBondContact O-N 2.84Å
590G42Very low43.6Very low85 Ų85116.5 Ų116.588%0.87675%0.745SS**  trans-8396.6-178.100000112.5C588C588-G590 PolarHBondContact O-N 2.98Å
591E37.6Very low45.6Very low180 Ų180116.9 Ų116.984%0.84175%0.747SS**  trans-130.3112163.253.4-163.8138.400111.2G589 P593G589-E591 PolarHBondContact O-N 2.84Å; E591-P593 WeakPolarHBondContact O-CD 3.29Å
592S54.9Low47.3Very low101 Ų101112.1 Ų112.171%0.70674%0.736SS**  trans-104.4114.7175.8175.20000109.7
593P52.9Low49.7Very low121 Ų121110.8 Ų110.879%0.78672%0.716SS**  trans-104.731.1169.838.6-33000112.4E591E591-P593 WeakPolarHBondContact O-CD 3.29Å
594L49.3Very low51.6Low143 Ų143110.2 Ų110.275%0.74969%0.693SS**  trans-122.922.1178.3-72.8-179.2000114.8
595D47.5Very low53.9Low132 Ų132107.9 Ų107.971%0.70668%0.679SS**SBendtrans-11759.7168.2-13234.6000109.8K604D595-K604 IonicContact OD1-NZ 2.76Å; D595-K604 PolarHBondContact OD1-NZ 2.85Å
596G52.9Low56Low75 Ų75104.3 Ų104.377%0.77366%0.657SS**SBendtrans-143.11.3-179.500000114.5
597I54Low58.3Low120 Ų120101.6 Ų101.662%0.61564%0.641SS**SBendtrans-117.5132.5168.8-58.3175.8000105.9L599I597-L599 HydrophobicContact CB-CG 4.24Å; I597-L599 HydrophobicContact CG2-CD2 3.85Å; I597-L599 HydrophobicContact CG2-CG 3.95Å; I597-L599 PolarHBondContact O-N 3.29Å
598C53.4Low61.1Low136 Ų136101 Ų10192%0.91963%0.629SS**  trans-76.864-179.3-165.70000111.4S600C598-S600 PolarHBondContact O-N 2.83Å
599L54Low63.4Low76 Ų7697.4 Ų97.440%0.39860%0.603SS.*  trans-70.2122.2171.7-63.6-179.3000108.8I597 D603 K604I597-L599 HydrophobicContact CB-CG 4.24Å; I597-L599 HydrophobicContact CG2-CD2 3.85Å; I597-L599 HydrophobicContact CG2-CG 3.95Å; I597-L599 PolarHBondContact O-N 3.29Å; L599-D603 HydrophobicContact CB-CB 3.9Å; L599-D603 HydrophobicContact CD2-CB 4.11Å; L599-K604 HydrophobicContact CB-CG 4.18Å
600S66.1Low66.1Low46 Ų4699.6 Ų99.632%0.32260%0.599SS.*  trans-63.9166.1177.466.90000111.8C598 S602 D603 K604C598-S600 PolarHBondContact O-N 2.83Å; S600-S602 PolarHBondContact O-N 3.16Å; S600-S602 PolarHBondContact OG-OG 3.1Å; S600-D603 VanDerWaalsContact CB-OD2 3.3Å; S600-D603 WeakPolarHBondContact CB-OD2 3.44Å; S600-D603 PolarHBondContact N-OD2 2.57Å; S600-D603 PolarHBondContact O-N 2.61Å; S600-D603 PolarHBondContact OG-N 3.15Å; S600-D603 VanDerWaalsContact OG-N 3.17Å; S600-D603 PolarHBondContact OG-OD2 3.44Å; S600-K604 PolarHBondContact O-N 3.11Å
601E72.2Confident68.4Low171 Ų17199.8 Ų99.880%0.79958%0.579SS**Hα-helixtrans-58.1-34.4173.8-168172.5176.200111.6T605E601-T605 WeakPolarHBondContact O-CB 3.28Å; E601-T605 PolarHBondContact O-N 2.91Å; E601-T605 PolarHBondContact O-OG1 2.85Å
602S74.5Confident70.9Confident83 Ų8398.6 Ų98.658%0.5857%0.566SS**Hα-helixtrans-61.1-42.5168.2210000113.4S600 T605 A606S600-S602 PolarHBondContact O-N 3.16Å; S600-S602 PolarHBondContact OG-OG 3.1Å; S602-T605 WeakPolarHBondContact O-CB 3.43Å; S602-T605 PolarHBondContact O-N 2.81Å; S602-A606 WeakPolarHBondContact O-CB 3.42Å; S602-A606 PolarHBondContact O-N 2.97Å
603D78.9Confident72.7Confident69 Ų6998.6 Ų98.637%0.36956%0.555SS.*Hα-helixtrans-71.6-42.4-179.4-58.4-47.6000111.8L599 S600 T605 A606 V607L599-D603 HydrophobicContact CB-CB 3.9Å; L599-D603 HydrophobicContact CD2-CB 4.11Å; S600-D603 VanDerWaalsContact CB-OD2 3.3Å; S600-D603 WeakPolarHBondContact CB-OD2 3.44Å; S600-D603 PolarHBondContact N-OD2 2.57Å; S600-D603 PolarHBondContact O-N 2.61Å; S600-D603 PolarHBondContact OG-N 3.15Å; S600-D603 VanDerWaalsContact OG-N 3.17Å; S600-D603 PolarHBondContact OG-OD2 3.44Å; D603-T605 PolarHBondContact O-N 2.95Å; D603-A606 PolarHBondContact O-N 3.33Å; D603-V607 WeakPolarHBondContact O-CG2 3.2Å; D603-V607 PolarHBondContact O-N 3.33Å
604K81.6Confident74.6Confident97 Ų9797.9 Ų97.942%0.42254%0.542SS..Hα-helixtrans-62.4-33.4173.9-67.4-170.7176-172.20111D595 L599 S600 L608D595-K604 IonicContact OD1-NZ 2.76Å; D595-K604 PolarHBondContact OD1-NZ 2.85Å; L599-K604 HydrophobicContact CB-CG 4.18Å; S600-K604 PolarHBondContact O-N 3.11Å; K604-L608 WeakPolarHBondContact O-CG 3.4Å; K604-L608 PolarHBondContact O-N 3.11Å
605T82.1Confident76.7Confident78 Ų7895.9 Ų95.948%0.47953%0.53SS..Hα-helixtrans-69.7-45171.6-57.40000112.1E601 S602 D603 V607 L608 T609E601-T605 WeakPolarHBondContact O-CB 3.28Å; E601-T605 PolarHBondContact O-N 2.91Å; E601-T605 PolarHBondContact O-OG1 2.85Å; S602-T605 WeakPolarHBondContact O-CB 3.43Å; S602-T605 PolarHBondContact O-N 2.81Å; D603-T605 PolarHBondContact O-N 2.95Å; T605-V607 PolarHBondContact O-N 3.11Å; T605-L608 PolarHBondContact O-N 3.11Å; T605-T609 PolarHBondContact O-N 3.25Å; T605-T609 PolarHBondContact O-OG1 3.2Å
606A82.8Confident78.9Confident47 Ų4794 Ų9439%0.38852%0.519SS..Hα-helixtrans-61.1-41.7179.900000112.6S602 D603 L608 T609 L610S602-A606 WeakPolarHBondContact O-CB 3.42Å; S602-A606 PolarHBondContact O-N 2.97Å; D603-A606 PolarHBondContact O-N 3.33Å; A606-L608 PolarHBondContact O-N 3.46Å; A606-T609 PolarHBondContact O-N 3.21Å; A606-L610 WeakPolarHBondContact O-CG 3.42Å; A606-L610 PolarHBondContact O-N 3.2Å
607V86.5Confident80.8Confident74 Ų7493.5 Ų93.545%0.44850%0.502SS..Hα-helixtrans-63.1-41.2175.3173.10000111.7D603 T605 T609 L610 I611D603-V607 WeakPolarHBondContact O-CG2 3.2Å; D603-V607 PolarHBondContact O-N 3.33Å; T605-V607 PolarHBondContact O-N 3.11Å; V607-T609 VanDerWaalsContact C-N 3.34Å; V607-L610 PolarHBondContact O-N 3.05Å; V607-I611 HydrophobicContact CG1-CD1 3.87Å; V607-I611 VanDerWaalsContact O-CG1 3.29Å; V607-I611 WeakPolarHBondContact O-CG1 3.48Å; V607-I611 PolarHBondContact O-N 2.83Å
608L86.6Confident82.8Confident94 Ų9492.3 Ų92.349%0.49249%0.492SS..Hα-helixtrans-68-32.6175.6-73.2173.8000112.8K604 T605 A606 R612K604-L608 WeakPolarHBondContact O-CG 3.4Å; K604-L608 PolarHBondContact O-N 3.11Å; T605-L608 PolarHBondContact O-N 3.11Å; A606-L608 PolarHBondContact O-N 3.46Å; L608-R612 WeakPolarHBondContact O-CD 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.24Å; L608-R612 PolarHBondContact O-N 3.32Å; L608-R612 VanDerWaalsContact O-N 3.16Å
609T87.8Confident84.7Confident52 Ų5291.6 Ų91.632%0.31948%0.475SS..Hα-helixtrans-66.3-49.9172.1-64.80000110.9T605 A606 V607 I611 R612 E613T605-T609 PolarHBondContact O-N 3.25Å; T605-T609 PolarHBondContact O-OG1 3.2Å; A606-T609 PolarHBondContact O-N 3.21Å; V607-T609 VanDerWaalsContact C-N 3.34Å; T609-I611 VanDerWaalsContact C-N 3.32Å; T609-I611 PolarHBondContact O-N 3.19Å; T609-R612 CarbonylContact O-C 3.6Å; T609-R612 WeakPolarHBondContact O-CA 3.27Å; T609-R612 WeakPolarHBondContact O-CB 3.46Å; T609-R612 PolarHBondContact O-N 3.07Å; T609-E613 HydrophobicContact CG2-CG 4.27Å; T609-E613 WeakPolarHBondContact CG2-OE1 3.41Å; T609-E613 WeakPolarHBondContact O-CG 3.38Å; T609-E613 PolarHBondContact O-N 3.47Å
610L89.4Confident86.6Confident111 Ų11192.4 Ų92.458%0.58148%0.479SS*.Hα-helixtrans-57.9-41.5177-73.4168.9000112.6A606 V607 R612 E613 E614A606-L610 WeakPolarHBondContact O-CG 3.42Å; A606-L610 PolarHBondContact O-N 3.2Å; V607-L610 PolarHBondContact O-N 3.05Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 3.22Å; L610-E613 PolarHBondContact O-N 3.5Å; L610-E614 WeakPolarHBondContact O-CB 3.26Å; L610-E614 PolarHBondContact O-N 2.96Å
611I90.2Very high88Confident90 Ų9093.9 Ų93.946%0.46248%0.481SS..Hα-helixtrans-64.1-37.6175.9-69.8166.3000111.3V607 T609 I615V607-I611 HydrophobicContact CG1-CD1 3.87Å; V607-I611 VanDerWaalsContact O-CG1 3.29Å; V607-I611 WeakPolarHBondContact O-CG1 3.48Å; V607-I611 PolarHBondContact O-N 2.83Å; T609-I611 VanDerWaalsContact C-N 3.32Å; T609-I611 PolarHBondContact O-N 3.19Å; I611-I615 HydrophobicContact CG2-CD1 3.87Å; I611-I615 WeakPolarHBondContact O-CB 3.37Å; I611-I615 WeakPolarHBondContact O-CD1 3.42Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.47Å
612R91.5Very high89.1Confident154 Ų15488.4 Ų88.458%0.58147%0.465SS*.Hα-helixtrans-70.2-40.5175.7-71.8164.4179.7169.7-0.2112L608 T609 L610 I615 I616L608-R612 WeakPolarHBondContact O-CD 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.24Å; L608-R612 PolarHBondContact O-N 3.32Å; L608-R612 VanDerWaalsContact O-N 3.16Å; T609-R612 CarbonylContact O-C 3.6Å; T609-R612 WeakPolarHBondContact O-CA 3.27Å; T609-R612 WeakPolarHBondContact O-CB 3.46Å; T609-R612 PolarHBondContact O-N 3.07Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 3.22Å; R612-I615 PolarHBondContact O-N 2.65Å; R612-I616 WeakPolarHBondContact O-CB 3.43Å; R612-I616 WeakPolarHBondContact O-CD1 3.39Å; R612-I616 WeakPolarHBondContact O-CG1 3.48Å; R612-I616 PolarHBondContact O-N 2.81Å
613E92.3Very high90.1Very high102 Ų10288.6 Ų88.648%0.47746%0.459SS..Hα-helixtrans-64.7-41.5176.6-71.5169.5166.400111.3T609 L610 I616 T617T609-E613 HydrophobicContact CG2-CG 4.27Å; T609-E613 WeakPolarHBondContact CG2-OE1 3.41Å; T609-E613 WeakPolarHBondContact O-CG 3.38Å; T609-E613 PolarHBondContact O-N 3.47Å; L610-E613 PolarHBondContact O-N 3.5Å; E613-I616 PolarHBondContact O-N 3.24Å; E613-T617 WeakPolarHBondContact O-CB 3.32Å; E613-T617 PolarHBondContact O-N 3.45Å; E613-T617 PolarHBondContact O-OG1 2.97Å
614E93Very high90.9Very high106 Ų10690 Ų9050%0.49546%0.463SS..Hα-helixtrans-63.3-46.2172.3-175.965.7-151.600111.3L610 I616 T617 K618L610-E614 WeakPolarHBondContact O-CB 3.26Å; L610-E614 PolarHBondContact O-N 2.96Å; E614-I616 PolarHBondContact O-N 2.94Å; E614-T617 PolarHBondContact O-N 3Å; E614-K618 VanDerWaalsContact O-CG 3.31Å; E614-K618 WeakPolarHBondContact O-CG 3.43Å; E614-K618 PolarHBondContact O-N 3.46Å; E614-K618 WeakPolarHBondContact OE1-CE 3.38Å; E614-K618 IonicContact OE1-NZ 2.76Å
615I93Very high91.6Very high100 Ų10093.8 Ų93.851%0.51348%0.475SS..Hα-helixtrans-59.7-46.5176.4-73165.6000111.2I611 R612 T617 K618 E619I611-I615 HydrophobicContact CG2-CD1 3.87Å; I611-I615 WeakPolarHBondContact O-CB 3.37Å; I611-I615 WeakPolarHBondContact O-CD1 3.42Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.47Å; R612-I615 PolarHBondContact O-N 2.65Å; I615-T617 VanDerWaalsContact C-N 3.32Å; I615-T617 PolarHBondContact O-N 2.88Å; I615-K618 PolarHBondContact O-N 3.34Å; I615-E619 WeakPolarHBondContact O-CB 3.29Å; I615-E619 PolarHBondContact O-N 2.71Å
616I94.4Very high92.3Very high93 Ų9397.1 Ų97.148%0.47748%0.483SS..Hα-helixtrans-62.4-41.4177.2-70.8163.3000110.5R612 E613 E614 E619 I620R612-I616 WeakPolarHBondContact O-CB 3.43Å; R612-I616 WeakPolarHBondContact O-CD1 3.39Å; R612-I616 WeakPolarHBondContact O-CG1 3.48Å; R612-I616 PolarHBondContact O-N 2.81Å; E613-I616 PolarHBondContact O-N 3.24Å; E614-I616 PolarHBondContact O-N 2.94Å; I616-E619 PolarHBondContact O-N 2.99Å; I616-I620 HydrophobicContact CG2-CD1 3.85Å; I616-I620 VanDerWaalsContact O-CG1 3.27Å; I616-I620 WeakPolarHBondContact O-CG1 3.31Å; I616-I620 PolarHBondContact O-N 3.09Å
617T93.1Very high93Very high65 Ų65101 Ų10140%0.39949%0.491SS..Hα-helixtrans-63.4-43.9176.6-57.40000111.3E613 E614 I615 I620 E621E613-T617 WeakPolarHBondContact O-CB 3.32Å; E613-T617 PolarHBondContact O-N 3.45Å; E613-T617 PolarHBondContact O-OG1 2.97Å; E614-T617 PolarHBondContact O-N 3Å; I615-T617 VanDerWaalsContact C-N 3.32Å; I615-T617 PolarHBondContact O-N 2.88Å; T617-I620 PolarHBondContact O-N 3.37Å; T617-E621 WeakPolarHBondContact O-CG 3.42Å; T617-E621 PolarHBondContact O-N 3.03Å
618K94.9Very high93.5Very high94 Ų94101.5 Ų101.541%0.40949%0.487SS..Hα-helixtrans-68.7-32.6176.4-65.4-66.7152.7-146.50113E614 I615 E621 A622E614-K618 VanDerWaalsContact O-CG 3.31Å; E614-K618 WeakPolarHBondContact O-CG 3.43Å; E614-K618 PolarHBondContact O-N 3.46Å; E614-K618 WeakPolarHBondContact OE1-CE 3.38Å; E614-K618 IonicContact OE1-NZ 2.76Å; I615-K618 PolarHBondContact O-N 3.34Å; K618-E621 WeakPolarHBondContact CD-OE2 3.43Å; K618-E621 IonicContact NZ-OE1 2.62Å; K618-E621 PolarHBondContact NZ-OE1 2.91Å; K618-E621 IonicContact NZ-OE2 2.68Å; K618-E621 PolarHBondContact NZ-OE2 3.06Å; K618-A622 VanDerWaalsContact O-CB 3.24Å; K618-A622 WeakPolarHBondContact O-CB 3.47Å; K618-A622 PolarHBondContact O-N 2.89Å
619E94.4Very high94Very high121 Ų121104.3 Ų104.357%0.56549%0.493SS*.Hα-helixtrans-70.2-37.2172.9-175.4163.4-144.700111.8I615 I616 N623I615-E619 WeakPolarHBondContact O-CB 3.29Å; I615-E619 PolarHBondContact O-N 2.71Å; I616-E619 PolarHBondContact O-N 2.99Å; E619-N623 WeakPolarHBondContact O-CB 3.46Å; E619-N623 PolarHBondContact O-N 2.93Å; E619-N623 PolarHBondContact O-ND2 3.31Å
620I94.3Very high94.4Very high94 Ų94106.2 Ų106.248%0.48250%0.498SS..Hα-helixtrans-65.1-50171.7-69.1164.4000110.4I616 T617 A622 N623 E624I616-I620 HydrophobicContact CG2-CD1 3.85Å; I616-I620 VanDerWaalsContact O-CG1 3.27Å; I616-I620 WeakPolarHBondContact O-CG1 3.31Å; I616-I620 PolarHBondContact O-N 3.09Å; T617-I620 PolarHBondContact O-N 3.37Å; I620-A622 VanDerWaalsContact C-N 3.33Å; I620-A622 PolarHBondContact O-N 3.39Å; I620-N623 PolarHBondContact O-N 3.41Å; I620-E624 PolarHBondContact O-N 3.49Å
621E95.4Very high94.7Very high76 Ų76105.2 Ų105.236%0.35549%0.49SS..Hα-helixtrans-54.9-46.6175-76.4177.6-166.600111.8T617 K618 N623 E624 W625T617-E621 WeakPolarHBondContact O-CG 3.42Å; T617-E621 PolarHBondContact O-N 3.03Å; K618-E621 WeakPolarHBondContact CD-OE2 3.43Å; K618-E621 IonicContact NZ-OE1 2.62Å; K618-E621 PolarHBondContact NZ-OE1 2.91Å; K618-E621 IonicContact NZ-OE2 2.68Å; K618-E621 PolarHBondContact NZ-OE2 3.06Å; E621-N623 PolarHBondContact O-N 2.96Å; E621-E624 WeakPolarHBondContact O-CB 3.48Å; E621-E624 PolarHBondContact O-N 2.88Å; E621-W625 PolarHBondContact O-N 3.36Å
622A94.8Very high95Very high57 Ų57104.6 Ų104.647%0.47149%0.491SS..Hα-helixtrans-64.1-39.3179.300000112.4K618 I620 W625 K626K618-A622 VanDerWaalsContact O-CB 3.24Å; K618-A622 WeakPolarHBondContact O-CB 3.47Å; K618-A622 PolarHBondContact O-N 2.89Å; I620-A622 VanDerWaalsContact C-N 3.33Å; I620-A622 PolarHBondContact O-N 3.39Å; A622-W625 PolarHBondContact O-N 3.32Å; A622-K626 VanDerWaalsContact O-CB 3.3Å; A622-K626 WeakPolarHBondContact O-CB 3.38Å; A622-K626 PolarHBondContact O-N 3.18Å
623N94.3Very high95.3Very high86 Ų86103.1 Ų103.146%0.4649%0.485SS..Hα-helixtrans-70.6-34.4175.2-79.3-64.2000112.4E619 I620 E621 K627E619-N623 WeakPolarHBondContact O-CB 3.46Å; E619-N623 PolarHBondContact O-N 2.93Å; E619-N623 PolarHBondContact O-ND2 3.31Å; I620-N623 PolarHBondContact O-N 3.41Å; E621-N623 PolarHBondContact O-N 2.96Å; N623-K627 WeakPolarHBondContact O-CB 3.45Å; N623-K627 PolarHBondContact O-N 2.82Å
624E96.2Very high95.5Very high98 Ų98102.1 Ų102.146%0.45848%0.481SS..Hα-helixtrans-62.9-46.6170-81-165.7-155.900112.2I620 E621 K626 K627 K628I620-E624 PolarHBondContact O-N 3.49Å; E621-E624 WeakPolarHBondContact O-CB 3.48Å; E621-E624 PolarHBondContact O-N 2.88Å; E624-K626 VanDerWaalsContact C-N 3.34Å; E624-K627 PolarHBondContact O-N 2.87Å; E624-K628 WeakPolarHBondContact O-CB 3.49Å; E624-K628 WeakPolarHBondContact O-CD 3.35Å; E624-K628 VanDerWaalsContact O-CG 3.29Å; E624-K628 WeakPolarHBondContact O-CG 3.41Å; E624-K628 PolarHBondContact O-N 3.4Å; E624-K628 IonicContact OE2-NZ 2.75Å; E624-K628 PolarHBondContact OE2-NZ 2.88Å
625W97.4Very high95.7Very high178 Ų178102.7 Ų102.767%0.67448%0.483SS*.Hα-helixtrans-64.1-39.7177.3-76.7117.1000112E621 A622 K627 K628 Y629E621-W625 PolarHBondContact O-N 3.36Å; A622-W625 PolarHBondContact O-N 3.32Å; W625-K627 VanDerWaalsContact C-N 3.35Å; W625-K628 HydrophobicContact CE3-CD 4.12Å; W625-K628 HydrophobicContact CZ3-CD 4.36Å; W625-K628 PolarHBondContact O-N 3.44Å; W625-Y629 VanDerWaalsContact O-CB 3.32Å; W625-Y629 WeakPolarHBondContact O-CB 3.48Å; W625-Y629 PolarHBondContact O-N 2.9Å
626K96.5Very high95.9Very high147 Ų147100.6 Ų100.664%0.63948%0.475SS*.Hα-helixtrans-61.1-42172.6-177.9-178.1177.9-175.40112A622 E624 E630A622-K626 VanDerWaalsContact O-CB 3.3Å; A622-K626 WeakPolarHBondContact O-CB 3.38Å; A622-K626 PolarHBondContact O-N 3.18Å; E624-K626 VanDerWaalsContact C-N 3.34Å; K626-E630 PolarHBondContact O-N 3.42Å; K626-E630 VanDerWaalsContact O-N 3.13Å
627K97.1Very high96Very high128 Ų12899.4 Ų99.456%0.55747%0.469SS*.Hα-helixtrans-63.6-52.8175.7-178-174.6160.4-1780111N623 E624 W625 Y629 E630 E631N623-K627 WeakPolarHBondContact O-CB 3.45Å; N623-K627 PolarHBondContact O-N 2.82Å; E624-K627 PolarHBondContact O-N 2.87Å; W625-K627 VanDerWaalsContact C-N 3.35Å; K627-Y629 VanDerWaalsContact C-N 3.27Å; K627-Y629 PolarHBondContact O-N 3.44Å; K627-E630 PolarHBondContact O-N 2.94Å; K627-E630 VanDerWaalsContact O-N 3.09Å; K627-E631 WeakPolarHBondContact CE-OE1 3.2Å; K627-E631 WeakPolarHBondContact CE-OE2 3.5Å; K627-E631 HydrophobicContact CG-CG 4.4Å; K627-E631 IonicContact NZ-OE1 2.7Å; K627-E631 PolarHBondContact NZ-OE1 2.79Å; K627-E631 WeakPolarHBondContact O-CG 3.31Å; K627-E631 PolarHBondContact O-N 3.44Å
628K96.6Very high96.2Very high85 Ų85100.8 Ų100.837%0.3747%0.471SS..Hα-helixtrans-55.8-41177.9-71.5158.7-179.9157.50111.9E624 W625 E631 T632E624-K628 WeakPolarHBondContact O-CB 3.49Å; E624-K628 WeakPolarHBondContact O-CD 3.35Å; E624-K628 VanDerWaalsContact O-CG 3.29Å; E624-K628 WeakPolarHBondContact O-CG 3.41Å; E624-K628 PolarHBondContact O-N 3.4Å; E624-K628 IonicContact OE2-NZ 2.75Å; E624-K628 PolarHBondContact OE2-NZ 2.88Å; W625-K628 HydrophobicContact CE3-CD 4.12Å; W625-K628 HydrophobicContact CZ3-CD 4.36Å; W625-K628 PolarHBondContact O-N 3.44Å; K628-E631 PolarHBondContact O-N 2.82Å; K628-T632 PolarHBondContact O-N 2.93Å; K628-T632 PolarHBondContact O-OG1 3.38Å
629Y96.8Very high96.4Very high154 Ų154102 Ų10260%0.60448%0.479SS*.Hα-helixtrans-61.3-47.2174.9173.6-92.6000112.5W625 K627 T632 R633W625-Y629 VanDerWaalsContact O-CB 3.32Å; W625-Y629 WeakPolarHBondContact O-CB 3.48Å; W625-Y629 PolarHBondContact O-N 2.9Å; K627-Y629 VanDerWaalsContact C-N 3.27Å; K627-Y629 PolarHBondContact O-N 3.44Å; Y629-T632 PolarHBondContact O-N 2.87Å; Y629-R633 VanDerWaalsContact O-CB 3.23Å; Y629-R633 WeakPolarHBondContact O-CB 3.4Å; Y629-R633 PolarHBondContact O-N 3.18Å
630E96.8Very high96.5Very high91 Ų91104.1 Ų104.143%0.42548%0.482SS..Hα-helixtrans-71.8-31.4-179.2-161.266.1-163.500112K626 K627 R633 Q634K626-E630 PolarHBondContact O-N 3.42Å; K626-E630 VanDerWaalsContact O-N 3.13Å; K627-E630 PolarHBondContact O-N 2.94Å; K627-E630 VanDerWaalsContact O-N 3.09Å; E630-R633 PolarHBondContact O-N 3.04Å; E630-R633 IonicContact OE1-CZ 3.52Å; E630-R633 IonicContact OE1-NE 3.15Å; E630-R633 IonicContact OE1-NH1 3.27Å; E630-R633 PolarHBondContact OE1-NH1 2.84Å; E630-R633 VanDerWaalsContact OE2-CD 3.28Å; E630-R633 WeakPolarHBondContact OE2-CD 3.27Å; E630-R633 IonicContact OE2-CZ 3.73Å; E630-R633 IonicContact OE2-NE 3.33Å; E630-R633 IonicContact OE2-NH1 2.87Å; E630-R633 PolarHBondContact OE2-NH1 2.85Å; E630-Q634 WeakPolarHBondContact O-CB 3.49Å; E630-Q634 PolarHBondContact O-N 3.26Å
631E96.4Very high96.7Very high90 Ų90105.6 Ų105.642%0.42149%0.485SS..Hα-helixtrans-61.8-54.4170.2-73.2173.4143.600111K627 K628 R633 Q634 E635K627-E631 WeakPolarHBondContact CE-OE1 3.2Å; K627-E631 WeakPolarHBondContact CE-OE2 3.5Å; K627-E631 HydrophobicContact CG-CG 4.4Å; K627-E631 IonicContact NZ-OE1 2.7Å; K627-E631 PolarHBondContact NZ-OE1 2.79Å; K627-E631 WeakPolarHBondContact O-CG 3.31Å; K627-E631 PolarHBondContact O-N 3.44Å; K628-E631 PolarHBondContact O-N 2.82Å; E631-R633 VanDerWaalsContact C-N 3.27Å; E631-R633 PolarHBondContact O-N 2.86Å; E631-Q634 WeakPolarHBondContact O-CB 3.5Å; E631-Q634 PolarHBondContact O-N 3.31Å; E631-E635 WeakPolarHBondContact O-CG 3.28Å; E631-E635 PolarHBondContact O-N 2.94Å
632T96.2Very high96.8Very high77 Ų77106.6 Ų106.647%0.47249%0.492SS..Hα-helixtrans-64-30.5176.2-62.90000113.1K628 Y629 E635 V636K628-T632 PolarHBondContact O-N 2.93Å; K628-T632 PolarHBondContact O-OG1 3.38Å; Y629-T632 PolarHBondContact O-N 2.87Å; T632-E635 WeakPolarHBondContact CA-OE2 3.35Å; T632-E635 PolarHBondContact O-N 3.46Å; T632-E635 PolarHBondContact OG1-OE2 3.29Å; T632-V636 WeakPolarHBondContact O-CG2 2.82Å; T632-V636 PolarHBondContact O-N 3.42Å
633R97.1Very high97Very high123 Ų123107.2 Ų107.246%0.46449%0.49SS..Hα-helixtrans-64.3-41.2172-176.5-172.7179.7-162.8-1111.5Y629 E630 E631 V636 L637Y629-R633 VanDerWaalsContact O-CB 3.23Å; Y629-R633 WeakPolarHBondContact O-CB 3.4Å; Y629-R633 PolarHBondContact O-N 3.18Å; E630-R633 PolarHBondContact O-N 3.04Å; E630-R633 IonicContact OE1-CZ 3.52Å; E630-R633 IonicContact OE1-NE 3.15Å; E630-R633 IonicContact OE1-NH1 3.27Å; E630-R633 PolarHBondContact OE1-NH1 2.84Å; E630-R633 VanDerWaalsContact OE2-CD 3.28Å; E630-R633 WeakPolarHBondContact OE2-CD 3.27Å; E630-R633 IonicContact OE2-CZ 3.73Å; E630-R633 IonicContact OE2-NE 3.33Å; E630-R633 IonicContact OE2-NH1 2.87Å; E630-R633 PolarHBondContact OE2-NH1 2.85Å; E631-R633 VanDerWaalsContact C-N 3.27Å; E631-R633 PolarHBondContact O-N 2.86Å; R633-V636 PolarHBondContact O-N 3.48Å; R633-L637 WeakPolarHBondContact O-CG 3.32Å; R633-L637 PolarHBondContact O-N 3.45Å
634Q97.5Very high97.2Very high82 Ų82105.4 Ų105.438%0.38349%0.487SS..Hα-helixtrans-66.3-43.8175.1-179.165.31600111.5E630 E631 V636 L637 E638E630-Q634 WeakPolarHBondContact O-CB 3.49Å; E630-Q634 PolarHBondContact O-N 3.26Å; E631-Q634 WeakPolarHBondContact O-CB 3.5Å; E631-Q634 PolarHBondContact O-N 3.31Å; Q634-V636 VanDerWaalsContact C-N 3.31Å; Q634-V636 PolarHBondContact O-N 2.99Å; Q634-L637 WeakPolarHBondContact O-CB 3.22Å; Q634-L637 PolarHBondContact O-N 2.98Å; Q634-E638 PolarHBondContact NE2-OE1 3.23Å; Q634-E638 PolarHBondContact O-N 3.4Å
635E96.6Very high97.2Very high118 Ų118105.5 Ų105.555%0.55149%0.487SS*.Hα-helixtrans-55.4-44.8174-67.5171.3157.900111.6E631 T632 L637 E638 M639E631-E635 WeakPolarHBondContact O-CG 3.28Å; E631-E635 PolarHBondContact O-N 2.94Å; T632-E635 WeakPolarHBondContact CA-OE2 3.35Å; T632-E635 PolarHBondContact O-N 3.46Å; T632-E635 PolarHBondContact OG1-OE2 3.29Å; E635-L637 PolarHBondContact O-N 2.8Å; E635-E638 PolarHBondContact O-N 3.43Å; E635-M639 WeakPolarHBondContact O-CB 3.43Å; E635-M639 PolarHBondContact O-N 3.1Å
636V97.4Very high97.3Very high56 Ų56104.4 Ų104.434%0.33948%0.484SS..Hα-helixtrans-65.7-35.8176169.10000112.2T632 R633 Q634 R640T632-V636 WeakPolarHBondContact O-CG2 2.82Å; T632-V636 PolarHBondContact O-N 3.42Å; R633-V636 PolarHBondContact O-N 3.48Å; Q634-V636 VanDerWaalsContact C-N 3.31Å; Q634-V636 PolarHBondContact O-N 2.99Å; V636-R640 WeakPolarHBondContact O-CB 3.44Å; V636-R640 VanDerWaalsContact O-CG 3.24Å; V636-R640 WeakPolarHBondContact O-CG 3.2Å; V636-R640 PolarHBondContact O-N 3.38Å
637L97.1Very high97.3Very high68 Ų68103.3 Ų103.336%0.35648%0.481SS..Hα-helixtrans-69.1-34174.2-72.1171.5000112.4R633 Q634 E635 K641R633-L637 WeakPolarHBondContact O-CG 3.32Å; R633-L637 PolarHBondContact O-N 3.45Å; Q634-L637 WeakPolarHBondContact O-CB 3.22Å; Q634-L637 PolarHBondContact O-N 2.98Å; E635-L637 PolarHBondContact O-N 2.8Å; L637-K641 WeakPolarHBondContact O-CG 3.45Å; L637-K641 PolarHBondContact O-N 3.29Å
638E96.9Very high97.4Very high94 Ų94103 Ų10344%0.43948%0.48SS..Hα-helixtrans-73.8-42.6176.3-72.4176.4-173.600111.9Q634 E635 R640 K641 I642Q634-E638 PolarHBondContact NE2-OE1 3.23Å; Q634-E638 PolarHBondContact O-N 3.4Å; E635-E638 PolarHBondContact O-N 3.43Å; E638-R640 VanDerWaalsContact C-N 3.28Å; E638-R640 PolarHBondContact O-N 2.75Å; E638-K641 WeakPolarHBondContact O-CB 3.39Å; E638-K641 PolarHBondContact O-N 3.08Å; E638-K641 VanDerWaalsContact O-N 3.1Å; E638-I642 WeakPolarHBondContact O-CG1 3.37Å; E638-I642 PolarHBondContact O-N 3.5Å
639M97.6Very high97.5Very high118 Ų118102.4 Ų102.458%0.58148%0.483SS*.Hα-helixtrans-60.8-36.1171.9-177.1156.649.500112.2E635 I642 V643E635-M639 WeakPolarHBondContact O-CB 3.43Å; E635-M639 PolarHBondContact O-N 3.1Å; M639-I642 PolarHBondContact O-N 3.01Å; M639-V643 WeakPolarHBondContact O-CG2 3.35Å; M639-V643 PolarHBondContact O-N 3.06Å
640R97.9Very high97.5Very high166 Ų16699.7 Ų99.763%0.62648%0.478SS*.Hα-helixtrans-63.5-39172.2-77170.4-177.4-176.41.5113.3V636 E638 V643 A644V636-R640 WeakPolarHBondContact O-CB 3.44Å; V636-R640 VanDerWaalsContact O-CG 3.24Å; V636-R640 WeakPolarHBondContact O-CG 3.2Å; V636-R640 PolarHBondContact O-N 3.38Å; E638-R640 VanDerWaalsContact C-N 3.28Å; E638-R640 PolarHBondContact O-N 2.75Å; R640-V643 PolarHBondContact O-N 2.83Å; R640-A644 WeakPolarHBondContact O-CB 3.24Å; R640-A644 PolarHBondContact O-N 3.29Å
641K98.3Very high97.6Very high125 Ų12597.6 Ų97.654%0.54348%0.476SS..Hα-helixtrans-63.4-43.5174.2-66.3165.2-167.61660111.1L637 E638 A644 E645L637-K641 WeakPolarHBondContact O-CG 3.45Å; L637-K641 PolarHBondContact O-N 3.29Å; E638-K641 WeakPolarHBondContact O-CB 3.39Å; E638-K641 PolarHBondContact O-N 3.08Å; E638-K641 VanDerWaalsContact O-N 3.1Å; K641-A644 PolarHBondContact O-N 3.48Å; K641-E645 PolarHBondContact O-N 3.45Å
642I98Very high97.7Very high98 Ų9897.8 Ų97.850%0.50348%0.477SS..Hα-helixtrans-61.4-46178.3-68166.8000110.6E638 M639 E645 Y646E638-I642 WeakPolarHBondContact O-CG1 3.37Å; E638-I642 PolarHBondContact O-N 3.5Å; M639-I642 PolarHBondContact O-N 3.01Å; I642-E645 PolarHBondContact O-N 3.06Å; I642-Y646 HydrophobicContact CG2-CD2 3.77Å; I642-Y646 HydrophobicContact CG2-CE2 3.47Å; I642-Y646 VanDerWaalsContact CG2-CE2 3.47Å; I642-Y646 WeakPolarHBondContact O-CD2 3.47Å; I642-Y646 PolarHBondContact O-N 3.24Å
643V98.3Very high97.8Very high70 Ų70100 Ų10042%0.42448%0.484SS..Hα-helixtrans-60.8-46.9175.3171.30000111.5M639 R640 E645 Y646 E647M639-V643 WeakPolarHBondContact O-CG2 3.35Å; M639-V643 PolarHBondContact O-N 3.06Å; R640-V643 PolarHBondContact O-N 2.83Å; V643-E645 VanDerWaalsContact C-N 3.34Å; V643-E645 PolarHBondContact O-N 3.42Å; V643-Y646 WeakPolarHBondContact O-CB 3.43Å; V643-Y646 PolarHBondContact O-N 2.93Å; V643-Y646 VanDerWaalsContact O-N 3.1Å; V643-E647 HydrophobicContact CG1-CG 4.21Å; V643-E647 WeakPolarHBondContact O-CG 3.3Å; V643-E647 PolarHBondContact O-N 3.1Å
644A97.9Very high97.8Very high47 Ų4798 Ų9839%0.38848%0.482SS..Hα-helixtrans-62.3-36.9-179.900000113.3R640 K641 K648R640-A644 WeakPolarHBondContact O-CB 3.24Å; R640-A644 PolarHBondContact O-N 3.29Å; K641-A644 PolarHBondContact O-N 3.48Å; A644-K648 VanDerWaalsContact O-CB 3.22Å; A644-K648 WeakPolarHBondContact O-CB 3.44Å; A644-K648 PolarHBondContact O-N 3.16Å
645E97.6Very high97.8Very high100 Ų10099.5 Ų99.547%0.46749%0.488SS..Hα-helixtrans-71.8-31.7174.1-71.3-65.2150.900112.3K641 I642 V643 K648 T649K641-E645 PolarHBondContact O-N 3.45Å; I642-E645 PolarHBondContact O-N 3.06Å; V643-E645 VanDerWaalsContact C-N 3.34Å; V643-E645 PolarHBondContact O-N 3.42Å; E645-K648 IonicContact OE1-NZ 2.66Å; E645-K648 PolarHBondContact OE1-NZ 2.96Å; E645-K648 IonicContact OE2-NZ 3.11Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; E645-T649 WeakPolarHBondContact O-CB 3.42Å; E645-T649 PolarHBondContact O-N 3.14Å; E645-T649 PolarHBondContact O-OG1 2.93Å
646Y98.3Very high97.8Very high156 Ų15696.7 Ų96.761%0.61248%0.477SS*.Hα-helixtrans-68-45.5169.6-78.7-57000112.5I642 V643 K648 T649 I650I642-Y646 HydrophobicContact CG2-CD2 3.77Å; I642-Y646 HydrophobicContact CG2-CE2 3.47Å; I642-Y646 VanDerWaalsContact CG2-CE2 3.47Å; I642-Y646 WeakPolarHBondContact O-CD2 3.47Å; I642-Y646 PolarHBondContact O-N 3.24Å; V643-Y646 WeakPolarHBondContact O-CB 3.43Å; V643-Y646 PolarHBondContact O-N 2.93Å; V643-Y646 VanDerWaalsContact O-N 3.1Å; Y646-K648 VanDerWaalsContact C-N 3.32Å; Y646-K648 PolarHBondContact O-N 2.84Å; Y646-T649 PolarHBondContact O-N 3.45Å; Y646-T649 VanDerWaalsContact O-N 3.14Å; Y646-I650 VanDerWaalsContact O-CG1 3.31Å; Y646-I650 WeakPolarHBondContact O-CG1 3.33Å; Y646-I650 PolarHBondContact O-N 2.85Å
647E97.6Very high97.8Very high123 Ų123100.7 Ų100.758%0.57549%0.492SS*.Hα-helixtrans-56.8-46.4175.8-72.6171.9166.800111.1V643 I650 A651V643-E647 HydrophobicContact CG1-CG 4.21Å; V643-E647 WeakPolarHBondContact O-CG 3.3Å; V643-E647 PolarHBondContact O-N 3.1Å; E647-I650 PolarHBondContact O-N 3.32Å; E647-A651 WeakPolarHBondContact O-CB 2.89Å; E647-A651 PolarHBondContact O-N 3.3Å
648K98.3Very high97.8Very high123 Ų123103.3 Ų103.354%0.53550%0.503SS..Hα-helixtrans-62.2-40.5173.7173.5179.8158.5-146.40113A644 E645 Y646 A651 Q652A644-K648 VanDerWaalsContact O-CB 3.22Å; A644-K648 WeakPolarHBondContact O-CB 3.44Å; A644-K648 PolarHBondContact O-N 3.16Å; E645-K648 IonicContact OE1-NZ 2.66Å; E645-K648 PolarHBondContact OE1-NZ 2.96Å; E645-K648 IonicContact OE2-NZ 3.11Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; Y646-K648 VanDerWaalsContact C-N 3.32Å; Y646-K648 PolarHBondContact O-N 2.84Å; K648-A651 PolarHBondContact O-N 3.02Å; K648-Q652 WeakPolarHBondContact O-CB 3.42Å; K648-Q652 PolarHBondContact O-N 2.71Å
649T98.1Very high97.8Very high71 Ų71104.6 Ų104.644%0.43650%0.503SS..Hα-helixtrans-65.1-42.7176.3-59.60000111.2E645 Y646 Q652 M653E645-T649 WeakPolarHBondContact O-CB 3.42Å; E645-T649 PolarHBondContact O-N 3.14Å; E645-T649 PolarHBondContact O-OG1 2.93Å; Y646-T649 PolarHBondContact O-N 3.45Å; Y646-T649 VanDerWaalsContact O-N 3.14Å; T649-Q652 PolarHBondContact O-N 2.85Å; T649-M653 HydrophobicContact CG2-SD 4.45Å; T649-M653 WeakPolarHBondContact O-CG 3.42Å; T649-M653 PolarHBondContact O-N 3.33Å
650I98.2Very high97.8Very high98 Ų98103.3 Ų103.350%0.50350%0.502SS..Hα-helixtrans-65.1-44.4177-67.7163000110.6Y646 E647 M653 I654Y646-I650 VanDerWaalsContact O-CG1 3.31Å; Y646-I650 WeakPolarHBondContact O-CG1 3.33Å; Y646-I650 PolarHBondContact O-N 2.85Å; E647-I650 PolarHBondContact O-N 3.32Å; I650-M653 PolarHBondContact O-N 3.05Å; I650-I654 HydrophobicContact CG2-CD1 3.89Å; I650-I654 WeakPolarHBondContact O-CG1 3.33Å; I650-I654 PolarHBondContact O-N 2.91Å
651A98.2Very high97.8Very high46 Ų4698.5 Ų98.538%0.3849%0.494SS..Hα-helixtrans-59.4-46.5174.900000112E647 K648 M653 I654 E655E647-A651 WeakPolarHBondContact O-CB 2.89Å; E647-A651 PolarHBondContact O-N 3.3Å; K648-A651 PolarHBondContact O-N 3.02Å; A651-M653 PolarHBondContact O-N 3.02Å; A651-I654 PolarHBondContact O-N 3.44Å; A651-E655 PolarHBondContact O-N 3.31Å
652Q98.1Very high97.8Very high94 Ų9497.1 Ų97.144%0.43949%0.491SS..Hα-helixtrans-59.6-43.8176.4-173.566.366.200111.9K648 T649 I654 E655 D656K648-Q652 WeakPolarHBondContact O-CB 3.42Å; K648-Q652 PolarHBondContact O-N 2.71Å; T649-Q652 PolarHBondContact O-N 2.85Å; Q652-I654 PolarHBondContact O-N 3.45Å; Q652-E655 PolarHBondContact O-N 2.97Å; Q652-D656 PolarHBondContact NE2-OD1 2.88Å; Q652-D656 WeakPolarHBondContact O-CB 3.36Å; Q652-D656 PolarHBondContact O-N 3.24Å
653M97.8Very high97.8Very high125 Ų12596.6 Ų96.662%0.61649%0.492SS*.Hα-helixtrans-61.5-41.4176.7-75.1179.364.400112.4T649 I650 A651 D656 E657T649-M653 HydrophobicContact CG2-SD 4.45Å; T649-M653 WeakPolarHBondContact O-CG 3.42Å; T649-M653 PolarHBondContact O-N 3.33Å; I650-M653 PolarHBondContact O-N 3.05Å; A651-M653 PolarHBondContact O-N 3.02Å; M653-D656 PolarHBondContact O-N 2.99Å; M653-E657 WeakPolarHBondContact O-CB 3.44Å; M653-E657 PolarHBondContact O-N 2.93Å
654I97.4Very high97.7Very high81 Ų8196.8 Ų96.842%0.41550%0.497SS..Hα-helixtrans-66.8-42.7177.4-66.8164.8000110.8I650 A651 Q652 D656 E657 Q658I650-I654 HydrophobicContact CG2-CD1 3.89Å; I650-I654 WeakPolarHBondContact O-CG1 3.33Å; I650-I654 PolarHBondContact O-N 2.91Å; A651-I654 PolarHBondContact O-N 3.44Å; Q652-I654 PolarHBondContact O-N 3.45Å; I654-D656 VanDerWaalsContact C-N 3.34Å; I654-E657 PolarHBondContact O-N 3.45Å; I654-Q658 WeakPolarHBondContact O-CB 3.42Å; I654-Q658 VanDerWaalsContact O-CG 3.3Å; I654-Q658 WeakPolarHBondContact O-CG 3.3Å; I654-Q658 PolarHBondContact O-N 2.82Å
655E97.6Very high97.7Very high113 Ų11399.1 Ų99.153%0.52850%0.499SS..Hα-helixtrans-64-38.3174.3-74.8-171.6-154.300112.3A651 Q652 R659A651-E655 PolarHBondContact O-N 3.31Å; Q652-E655 PolarHBondContact O-N 2.97Å; E655-R659 WeakPolarHBondContact O-CB 3.45Å; E655-R659 PolarHBondContact O-N 2.95Å
656D97.6Very high97.8Very high59 Ų59100.5 Ų100.532%0.31650%0.504SS..Hα-helixtrans-68.7-41.4178.3-69.5-9.3000111.6Q652 M653 I654 R659 T660Q652-D656 PolarHBondContact NE2-OD1 2.88Å; Q652-D656 WeakPolarHBondContact O-CB 3.36Å; Q652-D656 PolarHBondContact O-N 3.24Å; M653-D656 PolarHBondContact O-N 2.99Å; I654-D656 VanDerWaalsContact C-N 3.34Å; D656-R659 PolarHBondContact O-N 3Å; D656-R659 IonicContact OD1-CZ 3.87Å; D656-R659 IonicContact OD1-NH1 2.69Å; D656-R659 PolarHBondContact OD1-NH1 3.43Å; D656-R659 IonicContact OD1-NH2 2.6Å; D656-R659 PolarHBondContact OD1-NH2 3.35Å; D656-T660 WeakPolarHBondContact O-CB 3.43Å; D656-T660 WeakPolarHBondContact O-CG2 3.38Å; D656-T660 PolarHBondContact O-N 3.46Å; D656-T660 PolarHBondContact O-OG1 3.02Å
657E97.2Very high97.7Very high139 Ų13996 Ų9665%0.6550%0.495SS*.Hα-helixtrans-63.3-46172.9-175.2173.1-15700111.3M653 I654 R659 T660 S661M653-E657 WeakPolarHBondContact O-CB 3.44Å; M653-E657 PolarHBondContact O-N 2.93Å; I654-E657 PolarHBondContact O-N 3.45Å; E657-R659 PolarHBondContact O-N 3.26Å; E657-T660 WeakPolarHBondContact CA-OG1 3.32Å; E657-T660 PolarHBondContact O-N 3.44Å; E657-T660 PolarHBondContact O-OG1 3.43Å; E657-T660 VanDerWaalsContact O-OG1 3.07Å; E657-S661 WeakPolarHBondContact O-CB 2.78Å; E657-S661 PolarHBondContact O-N 3.32Å
658Q97.5Very high97.8Very high124 Ų12496.9 Ų96.958%0.57950%0.498SS*.Hα-helixtrans-63.1-42.3176-73.2179.522.800111.9I654 M662I654-Q658 WeakPolarHBondContact O-CB 3.42Å; I654-Q658 VanDerWaalsContact O-CG 3.3Å; I654-Q658 WeakPolarHBondContact O-CG 3.3Å; I654-Q658 PolarHBondContact O-N 2.82Å; Q658-M662 WeakPolarHBondContact O-CB 3.49Å; Q658-M662 VanDerWaalsContact O-CG 3.25Å; Q658-M662 WeakPolarHBondContact O-CG 3.44Å; Q658-M662 PolarHBondContact O-N 3.42Å
659R97.3Very high97.8Very high121 Ų12196 Ų9646%0.45750%0.495SS..Hα-helixtrans-69.2-39.8-179.3-161.9-174.3-39103.28.7112.1E655 D656 E657 T663E655-R659 WeakPolarHBondContact O-CB 3.45Å; E655-R659 PolarHBondContact O-N 2.95Å; D656-R659 PolarHBondContact O-N 3Å; D656-R659 IonicContact OD1-CZ 3.87Å; D656-R659 IonicContact OD1-NH1 2.69Å; D656-R659 PolarHBondContact OD1-NH1 3.43Å; D656-R659 IonicContact OD1-NH2 2.6Å; D656-R659 PolarHBondContact OD1-NH2 3.35Å; E657-R659 PolarHBondContact O-N 3.26Å; R659-T663 WeakPolarHBondContact O-CB 3.49Å; R659-T663 PolarHBondContact O-N 2.96Å; R659-T663 VanDerWaalsContact O-N 3.11Å; R659-T663 PolarHBondContact O-OG1 3.17Å
660T97.1Very high97.8Very high90 Ų9098 Ų9855%0.55250%0.5SS*.Hα-helixtrans-69.4-42.6174.950.60000111.3D656 E657 T663 S664D656-T660 WeakPolarHBondContact O-CB 3.43Å; D656-T660 WeakPolarHBondContact O-CG2 3.38Å; D656-T660 PolarHBondContact O-N 3.46Å; D656-T660 PolarHBondContact O-OG1 3.02Å; E657-T660 WeakPolarHBondContact CA-OG1 3.32Å; E657-T660 PolarHBondContact O-N 3.44Å; E657-T660 PolarHBondContact O-OG1 3.43Å; E657-T660 VanDerWaalsContact O-OG1 3.07Å; T660-T663 WeakPolarHBondContact O-CB 3.47Å; T660-T663 PolarHBondContact O-N 2.9Å; T660-T663 VanDerWaalsContact O-N 3.1Å; T660-S664 PolarHBondContact O-N 2.87Å; T660-S664 PolarHBondContact O-OG 3.47Å
661S97.4Very high97.8Very high66 Ų6698.1 Ų98.146%0.46250%0.501SS..Hα-helixtrans-59.1-47.9173.1-177.20000112.7E657 T663 S664 Q665E657-S661 WeakPolarHBondContact O-CB 2.78Å; E657-S661 PolarHBondContact O-N 3.32Å; S661-T663 PolarHBondContact O-N 2.98Å; S661-S664 PolarHBondContact O-N 3.2Å; S661-S664 PolarHBondContact O-OG 2.93Å; S661-S664 VanDerWaalsContact O-OG 3.08Å; S661-Q665 VanDerWaalsContact O-CB 3.26Å; S661-Q665 WeakPolarHBondContact O-CB 3.5Å; S661-Q665 PolarHBondContact O-N 3.17Å
662M97.7Very high97.9Very high96 Ų9698 Ų9847%0.47350%0.496SS..Hα-helixtrans-65.2-20.9174.7-72.7-61.3-59.600113.4Q658 K666Q658-M662 WeakPolarHBondContact O-CB 3.49Å; Q658-M662 VanDerWaalsContact O-CG 3.25Å; Q658-M662 WeakPolarHBondContact O-CG 3.44Å; Q658-M662 PolarHBondContact O-N 3.42Å; M662-K666 VanDerWaalsContact O-CD 3.31Å; M662-K666 WeakPolarHBondContact O-CD 3.33Å; M662-K666 VanDerWaalsContact O-CG 3.25Å; M662-K666 WeakPolarHBondContact O-CG 3.41Å
663T97.6Very high97.9Very high86 Ų86100 Ų10053%0.52851%0.507SS..Hα-helixtrans-86.1-43.2176.5-58.10000111.3R659 T660 S661 K666 S667R659-T663 WeakPolarHBondContact O-CB 3.49Å; R659-T663 PolarHBondContact O-N 2.96Å; R659-T663 VanDerWaalsContact O-N 3.11Å; R659-T663 PolarHBondContact O-OG1 3.17Å; T660-T663 WeakPolarHBondContact O-CB 3.47Å; T660-T663 PolarHBondContact O-N 2.9Å; T660-T663 VanDerWaalsContact O-N 3.1Å; S661-T663 PolarHBondContact O-N 2.98Å; T663-K666 PolarHBondContact O-N 3.5Å; T663-S667 PolarHBondContact O-N 3.32Å
664S97.3Very high97.9Very high75 Ų7598.7 Ų98.752%0.52450%0.499SS..Hα-helixtrans-67.7-36.6175.263.50000111.8T660 S661 K666 S667 F668T660-S664 PolarHBondContact O-N 2.87Å; T660-S664 PolarHBondContact O-OG 3.47Å; S661-S664 PolarHBondContact O-N 3.2Å; S661-S664 PolarHBondContact O-OG 2.93Å; S661-S664 VanDerWaalsContact O-OG 3.08Å; S664-K666 PolarHBondContact O-N 3Å; S664-S667 PolarHBondContact O-N 3.05Å; S664-F668 WeakPolarHBondContact O-CB 3.49Å; S664-F668 PolarHBondContact O-N 2.91Å
665Q98.3Very high98Very high95 Ų95101.6 Ų101.644%0.44451%0.508SS..Hα-helixtrans-60.6-43.4173.1-173.9-177.359.600112.1S661 F668 Q669S661-Q665 VanDerWaalsContact O-CB 3.26Å; S661-Q665 WeakPolarHBondContact O-CB 3.5Å; S661-Q665 PolarHBondContact O-N 3.17Å; Q665-F668 PolarHBondContact O-N 2.93Å; Q665-Q669 WeakPolarHBondContact O-CG 3.32Å; Q665-Q669 PolarHBondContact O-N 3.01Å
666K98.3Very high98Very high129 Ų129101.9 Ų101.956%0.56151%0.51SS*.Hα-helixtrans-64.9-42.8175.2-73.5170.7-173.6175.60112M662 T663 S664 F668 Q669 Q670M662-K666 VanDerWaalsContact O-CD 3.31Å; M662-K666 WeakPolarHBondContact O-CD 3.33Å; M662-K666 VanDerWaalsContact O-CG 3.25Å; M662-K666 WeakPolarHBondContact O-CG 3.41Å; T663-K666 PolarHBondContact O-N 3.5Å; S664-K666 PolarHBondContact O-N 3Å; K666-F668 VanDerWaalsContact C-N 3.34Å; K666-F668 PolarHBondContact O-N 3.25Å; K666-Q669 PolarHBondContact O-N 3.42Å; K666-Q670 PolarHBondContact O-N 3.38Å
667S98.1Very high98.1Very high62 Ų62104.3 Ų104.343%0.43452%0.519SS..Hα-helixtrans-60.1-43.8174.8-174.50000111.7T663 S664 Q670 L671T663-S667 PolarHBondContact O-N 3.32Å; S664-S667 PolarHBondContact O-N 3.05Å; S667-Q670 PolarHBondContact O-N 3.32Å; S667-L671 WeakPolarHBondContact O-CB 3.44Å; S667-L671 WeakPolarHBondContact O-CG 3.27Å; S667-L671 PolarHBondContact O-N 2.97Å
668F98.4Very high98.1Very high142 Ų142100.5 Ų100.562%0.62351%0.512SS*.Hα-helixtrans-63.2-41.8175.2178.8-93.2000112.7S664 Q665 K666 L671 T672S664-F668 WeakPolarHBondContact O-CB 3.49Å; S664-F668 PolarHBondContact O-N 2.91Å; Q665-F668 PolarHBondContact O-N 2.93Å; K666-F668 VanDerWaalsContact C-N 3.34Å; K666-F668 PolarHBondContact O-N 3.25Å; F668-L671 PolarHBondContact O-N 3.47Å; F668-T672 WeakPolarHBondContact O-CB 3.43Å; F668-T672 PolarHBondContact O-N 2.91Å; F668-T672 PolarHBondContact O-OG1 3.48Å
669Q98.5Very high98.2Very high103 Ų10398.5 Ų98.548%0.48151%0.505SS..Hα-helixtrans-62.7-44.3174.7-74.6169.8-6.800111.5Q665 K666 T672 M673Q665-Q669 WeakPolarHBondContact O-CG 3.32Å; Q665-Q669 PolarHBondContact O-N 3.01Å; K666-Q669 PolarHBondContact O-N 3.42Å; Q669-T672 WeakPolarHBondContact O-CB 3.38Å; Q669-T672 PolarHBondContact O-N 3.19Å; Q669-M673 WeakPolarHBondContact O-CG 3.37Å; Q669-M673 PolarHBondContact O-N 3.36Å
670Q98.6Very high98.3Very high114 Ų11495.1 Ų95.153%0.53350%0.502SS..Hα-helixtrans-59.9-51.4175.2178.3177.9-17.300111.6K666 S667 T672 M673 E674K666-Q670 PolarHBondContact O-N 3.38Å; S667-Q670 PolarHBondContact O-N 3.32Å; Q670-T672 PolarHBondContact O-N 2.86Å; Q670-M673 PolarHBondContact O-N 3.5Å; Q670-M673 VanDerWaalsContact O-N 3.1Å; Q670-E674 HydrophobicContact CG-CG 4.44Å; Q670-E674 VanDerWaalsContact CG-OE1 3.28Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.41Å; Q670-E674 PolarHBondContact NE2-OE1 3.19Å; Q670-E674 WeakPolarHBondContact O-CG 3.3Å; Q670-E674 PolarHBondContact O-N 2.6Å
671L98.6Very high98.3Very high101 Ų10194.8 Ų94.853%0.52950%0.497SS..Hα-helixtrans-61.2-30.1177.9-70.6170.3000112.6S667 F668 K675S667-L671 WeakPolarHBondContact O-CB 3.44Å; S667-L671 WeakPolarHBondContact O-CG 3.27Å; S667-L671 PolarHBondContact O-N 2.97Å; F668-L671 PolarHBondContact O-N 3.47Å; L671-K675 VanDerWaalsContact O-CB 3.29Å; L671-K675 WeakPolarHBondContact O-CB 3.42Å; L671-K675 PolarHBondContact O-N 3.04Å
672T98.5Very high98.4Very high44 Ų4496 Ų9627%0.2750%0.498SS..Hα-helixtrans-68.1-46.5173.4-58.30000111F668 Q669 Q670 K675 E676F668-T672 WeakPolarHBondContact O-CB 3.43Å; F668-T672 PolarHBondContact O-N 2.91Å; F668-T672 PolarHBondContact O-OG1 3.48Å; Q669-T672 WeakPolarHBondContact O-CB 3.38Å; Q669-T672 PolarHBondContact O-N 3.19Å; Q670-T672 PolarHBondContact O-N 2.86Å; T672-K675 WeakPolarHBondContact O-CB 3.36Å; T672-K675 PolarHBondContact O-N 3.01Å; T672-E676 WeakPolarHBondContact O-CG 3.46Å; T672-E676 PolarHBondContact O-N 3.45Å
673M98.6Very high98.4Very high135 Ų13595 Ų9567%0.66550%0.495SS*.Hα-helixtrans-63.9-40.3175.8-67.9179.767.400112.4Q669 Q670 E676 Q677Q669-M673 WeakPolarHBondContact O-CG 3.37Å; Q669-M673 PolarHBondContact O-N 3.36Å; Q670-M673 PolarHBondContact O-N 3.5Å; Q670-M673 VanDerWaalsContact O-N 3.1Å; M673-E676 PolarHBondContact O-N 3.44Å; M673-Q677 WeakPolarHBondContact O-CB 3.45Å; M673-Q677 PolarHBondContact O-N 3.22Å
674E98.6Very high98.5Very high98 Ų9893.7 Ų93.746%0.45849%0.489SS..Hα-helixtrans-64.2-39.8176-72.1173.6-171.400111.8Q670 A678Q670-E674 HydrophobicContact CG-CG 4.44Å; Q670-E674 VanDerWaalsContact CG-OE1 3.28Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.41Å; Q670-E674 PolarHBondContact NE2-OE1 3.19Å; Q670-E674 WeakPolarHBondContact O-CG 3.3Å; Q670-E674 PolarHBondContact O-N 2.6Å; E674-A678 WeakPolarHBondContact O-CB 3.45Å; E674-A678 PolarHBondContact O-N 3.29Å
675K98.7Very high98.6Very high141 Ų14194.4 Ų94.461%0.61349%0.49SS*.Hα-helixtrans-63.2-45.4171.9176.5-169.1172.5-169.40112.1L671 T672 A678 L679L671-K675 VanDerWaalsContact O-CB 3.29Å; L671-K675 WeakPolarHBondContact O-CB 3.42Å; L671-K675 PolarHBondContact O-N 3.04Å; T672-K675 WeakPolarHBondContact O-CB 3.36Å; T672-K675 PolarHBondContact O-N 3.01Å; K675-A678 PolarHBondContact O-N 3Å; K675-L679 HydrophobicContact CG-CD1 4.17Å; K675-L679 WeakPolarHBondContact O-CG 3.08Å; K675-L679 PolarHBondContact O-N 3.18Å
676E98.6Very high98.6Very high119 Ų11994.3 Ų94.356%0.55649%0.489SS*.Hα-helixtrans-64.8-40.2179.4-75.1174.6-17900111.8T672 M673 L679 A680T672-E676 WeakPolarHBondContact O-CG 3.46Å; T672-E676 PolarHBondContact O-N 3.45Å; M673-E676 PolarHBondContact O-N 3.44Å; E676-L679 PolarHBondContact O-N 2.95Å; E676-A680 PolarHBondContact O-N 2.86Å
677Q98.8Very high98.6Very high110 Ų11094.9 Ų94.951%0.51449%0.488SS..Hα-helixtrans-60.1-50.2171.6179.558.649.500111.4M673 L679 A680 D681M673-Q677 WeakPolarHBondContact O-CB 3.45Å; M673-Q677 PolarHBondContact O-N 3.22Å; Q677-L679 VanDerWaalsContact C-N 3.28Å; Q677-L679 PolarHBondContact O-N 3.37Å; Q677-A680 WeakPolarHBondContact O-CB 3.4Å; Q677-A680 PolarHBondContact O-N 3.43Å; Q677-D681 PolarHBondContact NE2-OD1 2.83Å; Q677-D681 VanDerWaalsContact NE2-OD1 3.16Å; Q677-D681 PolarHBondContact NE2-OD2 3.05Å; Q677-D681 PolarHBondContact O-N 3.36Å
678A98.7Very high98.6Very high59 Ų5995.3 Ų95.349%0.48849%0.491SS..Hα-helixtrans-60.7-35.3178.500000112.9E674 K675 L682E674-A678 WeakPolarHBondContact O-CB 3.45Å; E674-A678 PolarHBondContact O-N 3.29Å; K675-A678 PolarHBondContact O-N 3Å; A678-L682 WeakPolarHBondContact O-CB 3.32Å; A678-L682 PolarHBondContact O-N 2.96Å
679L98.6Very high98.6Very high83 Ų8392.5 Ų92.544%0.43548%0.482SS..Hα-helixtrans-68.4-40.1172.8-73.1170.1000112.2K675 E676 Q677 D681 L682 N683K675-L679 HydrophobicContact CG-CD1 4.17Å; K675-L679 WeakPolarHBondContact O-CG 3.08Å; K675-L679 PolarHBondContact O-N 3.18Å; E676-L679 PolarHBondContact O-N 2.95Å; Q677-L679 VanDerWaalsContact C-N 3.28Å; Q677-L679 PolarHBondContact O-N 3.37Å; L679-D681 VanDerWaalsContact C-N 3.35Å; L679-L682 PolarHBondContact O-N 2.66Å; L679-N683 WeakPolarHBondContact O-CB 3.38Å; L679-N683 PolarHBondContact O-N 3.11Å; L679-N683 PolarHBondContact O-ND2 3.21Å
680A98.8Very high98.6Very high49 Ų4991 Ų9141%0.40548%0.483SS..Hα-helixtrans-63.9-40.2176.100000112E676 Q677 S684E676-A680 PolarHBondContact O-N 2.86Å; Q677-A680 WeakPolarHBondContact O-CB 3.4Å; Q677-A680 PolarHBondContact O-N 3.43Å; A680-S684 PolarHBondContact O-N 3.01Å
681D98.7Very high98.6Very high84 Ų8487.7 Ų87.745%0.44947%0.469SS..Hα-helixtrans-68.2-44.4176.2-70.6-35.9000112.1Q677 L679 N683 S684 V685Q677-D681 PolarHBondContact NE2-OD1 2.83Å; Q677-D681 VanDerWaalsContact NE2-OD1 3.16Å; Q677-D681 PolarHBondContact NE2-OD2 3.05Å; Q677-D681 PolarHBondContact O-N 3.36Å; L679-D681 VanDerWaalsContact C-N 3.35Å; D681-N683 PolarHBondContact O-N 2.98Å; D681-S684 CarbonylContact O-C 3.6Å; D681-S684 WeakPolarHBondContact O-CA 3.32Å; D681-S684 WeakPolarHBondContact O-CB 3.45Å; D681-S684 PolarHBondContact O-N 3.02Å; D681-V685 PolarHBondContact O-N 2.68Å
682L98.6Very high98.7Very high90 Ų9088.1 Ų88.147%0.47147%0.471SS..Hα-helixtrans-56.4-50.9173.217560.9000111.3A678 L679 S684 V685 E686A678-L682 WeakPolarHBondContact O-CB 3.32Å; A678-L682 PolarHBondContact O-N 2.96Å; L679-L682 PolarHBondContact O-N 2.66Å; L682-S684 PolarHBondContact O-N 2.87Å; L682-S684 VanDerWaalsContact O-N 3.13Å; L682-V685 PolarHBondContact O-N 3.41Å; L682-V685 VanDerWaalsContact O-N 3.07Å; L682-E686 HydrophobicContact CD1-CG 4.29Å; L682-E686 WeakPolarHBondContact O-CG 3.46Å; L682-E686 PolarHBondContact O-N 2.95Å
683N98.6Very high98.7Very high77 Ų7792 Ų9241%0.41248%0.484SS..Hα-helixtrans-57.7-28.9174.9-85.8-98.6000112L679 D681 R687L679-N683 WeakPolarHBondContact O-CB 3.38Å; L679-N683 PolarHBondContact O-N 3.11Å; L679-N683 PolarHBondContact O-ND2 3.21Å; D681-N683 PolarHBondContact O-N 2.98Å; N683-R687 VanDerWaalsContact C-NH2 3.3Å; N683-R687 WeakPolarHBondContact O-CB 3.42Å; N683-R687 VanDerWaalsContact O-CG 3.29Å; N683-R687 WeakPolarHBondContact O-CG 3.48Å; N683-R687 PolarHBondContact O-N 3.25Å; N683-R687 VanDerWaalsContact O-N 3.07Å; N683-R687 PolarHBondContact O-NE 3.5Å; N683-R687 PolarHBondContact O-NH2 2.86Å
684S98.8Very high98.7Very high57 Ų5792 Ų9240%0.39948%0.477SS..Hα-helixtrans-73.3-43.1176.6-138.80000112.1A680 D681 L682 R687 S688A680-S684 PolarHBondContact O-N 3.01Å; D681-S684 CarbonylContact O-C 3.6Å; D681-S684 WeakPolarHBondContact O-CA 3.32Å; D681-S684 WeakPolarHBondContact O-CB 3.45Å; D681-S684 PolarHBondContact O-N 3.02Å; L682-S684 PolarHBondContact O-N 2.87Å; L682-S684 VanDerWaalsContact O-N 3.13Å; S684-R687 PolarHBondContact O-N 3.27Å; S684-R687 PolarHBondContact OG-NH1 2.76Å; S684-S688 WeakPolarHBondContact O-CB 3.48Å; S684-S688 PolarHBondContact O-N 3.33Å
685V98.8Very high98.7Very high90 Ų9095.2 Ų95.255%0.54549%0.485SS..Hα-helixtrans-61-48.2172.8175.70000110.4D681 L682 R687 S688 L689D681-V685 PolarHBondContact O-N 2.68Å; L682-V685 PolarHBondContact O-N 3.41Å; L682-V685 VanDerWaalsContact O-N 3.07Å; V685-R687 PolarHBondContact O-N 3.22Å; V685-S688 PolarHBondContact O-N 3.49Å; V685-S688 VanDerWaalsContact O-N 3.09Å; V685-S688 PolarHBondContact O-OG 3.18Å; V685-L689 WeakPolarHBondContact O-CB 3.49Å; V685-L689 PolarHBondContact O-N 3.31Å
686E98.6Very high98.7Very high93 Ų9395 Ų9544%0.43548%0.481SS..Hα-helixtrans-59.6-43.1178.4-69.6173.1153.900113L682 L689 S690L682-E686 HydrophobicContact CD1-CG 4.29Å; L682-E686 WeakPolarHBondContact O-CG 3.46Å; L682-E686 PolarHBondContact O-N 2.95Å; E686-L689 PolarHBondContact O-N 3.42Å; E686-S690 WeakPolarHBondContact O-CB 3.47Å; E686-S690 PolarHBondContact O-N 3.49Å; E686-S690 PolarHBondContact O-OG 3.45Å
687R98.6Very high98.7Very high141 Ų14193.6 Ų93.653%0.53248%0.475SS..Hα-helixtrans-60.5-45.6171.4-80178.7-88.9106.7-2111.6N683 S684 V685 L689 S690 D691N683-R687 VanDerWaalsContact C-NH2 3.3Å; N683-R687 WeakPolarHBondContact O-CB 3.42Å; N683-R687 VanDerWaalsContact O-CG 3.29Å; N683-R687 WeakPolarHBondContact O-CG 3.48Å; N683-R687 PolarHBondContact O-N 3.25Å; N683-R687 VanDerWaalsContact O-N 3.07Å; N683-R687 PolarHBondContact O-NE 3.5Å; N683-R687 PolarHBondContact O-NH2 2.86Å; S684-R687 PolarHBondContact O-N 3.27Å; S684-R687 PolarHBondContact OG-NH1 2.76Å; V685-R687 PolarHBondContact O-N 3.22Å; R687-L689 PolarHBondContact O-N 2.98Å; R687-S690 PolarHBondContact O-N 3.24Å; R687-D691 PolarHBondContact O-N 2.85Å
688S98.5Very high98.7Very high72 Ų7293.6 Ų93.650%0.50348%0.478SS..Hα-helixtrans-66-36.3179.777.90000113.1S684 V685 D691 L692S684-S688 WeakPolarHBondContact O-CB 3.48Å; S684-S688 PolarHBondContact O-N 3.33Å; V685-S688 PolarHBondContact O-N 3.49Å; V685-S688 VanDerWaalsContact O-N 3.09Å; V685-S688 PolarHBondContact O-OG 3.18Å; S688-D691 WeakPolarHBondContact O-CB 3.4Å; S688-D691 PolarHBondContact O-N 2.93Å; S688-L692 PolarHBondContact O-N 3.43Å
689L98.7Very high98.7Very high82 Ų8295.5 Ų95.543%0.42948%0.48SS..Hα-helixtrans-68.8-41.5176.7179.161.8000111.2V685 E686 R687 D691 L692 F693V685-L689 WeakPolarHBondContact O-CB 3.49Å; V685-L689 PolarHBondContact O-N 3.31Å; E686-L689 PolarHBondContact O-N 3.42Å; R687-L689 PolarHBondContact O-N 2.98Å; L689-D691 VanDerWaalsContact C-N 3.27Å; L689-D691 PolarHBondContact O-N 3.38Å; L689-L692 WeakPolarHBondContact O-CB 3.05Å; L689-L692 PolarHBondContact O-N 3.05Å; L689-F693 HydrophobicContact CD1-CD2 4.01Å; L689-F693 HydrophobicContact CD1-CE2 3.59Å; L689-F693 HydrophobicContact CD1-CZ 4.32Å; L689-F693 HydrophobicContact CD2-CE2 4.23Å; L689-F693 HydrophobicContact CG-CD2 3.96Å; L689-F693 HydrophobicContact CG-CE2 3.68Å; L689-F693 VanDerWaalsContact O-CD2 3.27Å; L689-F693 WeakPolarHBondContact O-CD2 3.46Å; L689-F693 PolarHBondContact O-N 3.45Å
690S98.8Very high98.7Very high72 Ų7296 Ų9650%0.50348%0.479SS..Hα-helixtrans-61-37.5172.7-58.50000112.1E686 R687 R694E686-S690 WeakPolarHBondContact O-CB 3.47Å; E686-S690 PolarHBondContact O-N 3.49Å; E686-S690 PolarHBondContact O-OG 3.45Å; R687-S690 PolarHBondContact O-N 3.24Å; S690-R694 WeakPolarHBondContact O-CB 3.45Å; S690-R694 PolarHBondContact O-N 2.93Å; S690-R694 VanDerWaalsContact O-N 3.11Å
691D98.6Very high98.7Very high45 Ų4595.7 Ų95.724%0.24148%0.48CS..Hα-helixtrans-67.2-40.1173.1-125.667.5000112.6R687 S688 L689 R694 R695R687-D691 PolarHBondContact O-N 2.85Å; S688-D691 WeakPolarHBondContact O-CB 3.4Å; S688-D691 PolarHBondContact O-N 2.93Å; L689-D691 VanDerWaalsContact C-N 3.27Å; L689-D691 PolarHBondContact O-N 3.38Å; D691-R694 VanDerWaalsContact CG-NH2 3.27Å; D691-R694 PolarHBondContact O-N 2.97Å; D691-R694 IonicContact OD1-CZ 3.99Å; D691-R694 IonicContact OD1-NH1 3.89Å; D691-R694 PolarHBondContact OD1-NH1 2.62Å; D691-R694 IonicContact OD1-NH2 3.34Å; D691-R694 PolarHBondContact OD1-NH2 3.28Å; D691-R694 IonicContact OD2-NH2 2.79Å; D691-R694 PolarHBondContact OD2-NH2 2.86Å; D691-R695 VanDerWaalsContact O-CG 3.26Å; D691-R695 WeakPolarHBondContact O-CG 3.33Å; D691-R695 PolarHBondContact O-N 3.09Å; D691-R695 IonicContact OD2-CZ 3.77Å; D691-R695 IonicContact OD2-NE 3.64Å; D691-R695 PolarHBondContact OD2-NE 3.39Å; D691-R695 IonicContact OD2-NH2 2.65Å; D691-R695 PolarHBondContact OD2-NH2 3.05Å
692L98.8Very high98.7Very high109 Ų10995.5 Ų95.557%0.57148%0.481SS*.Hα-helixtrans-63.9-46.6175.8-179.460.7000111.7S688 L689 R694 R695 Y696S688-L692 PolarHBondContact O-N 3.43Å; L689-L692 WeakPolarHBondContact O-CB 3.05Å; L689-L692 PolarHBondContact O-N 3.05Å; L692-R694 VanDerWaalsContact C-N 3.33Å; L692-R694 PolarHBondContact O-N 3.02Å; L692-R695 PolarHBondContact O-N 3.09Å; L692-Y696 WeakPolarHBondContact O-CB 3.43Å; L692-Y696 PolarHBondContact O-N 2.92Å
693F98.7Very high98.7Very high125 Ų12596 Ų9655%0.54848%0.484SS..Hα-helixtrans-59.8-42.2174.8-80.6-62.3000112.1L689 R695 Y696 E697L689-F693 HydrophobicContact CD1-CD2 4.01Å; L689-F693 HydrophobicContact CD1-CE2 3.59Å; L689-F693 HydrophobicContact CD1-CZ 4.32Å; L689-F693 HydrophobicContact CD2-CE2 4.23Å; L689-F693 HydrophobicContact CG-CD2 3.96Å; L689-F693 HydrophobicContact CG-CE2 3.68Å; L689-F693 VanDerWaalsContact O-CD2 3.27Å; L689-F693 WeakPolarHBondContact O-CD2 3.46Å; L689-F693 PolarHBondContact O-N 3.45Å; F693-R695 VanDerWaalsContact C-N 3.34Å; F693-R695 PolarHBondContact O-N 3.47Å; F693-Y696 PolarHBondContact O-N 3.17Å; F693-E697 PolarHBondContact O-N 3.01Å
694R98.8Very high98.7Very high136 Ų13697.4 Ų97.451%0.51349%0.488SS..Hα-helixtrans-63.1-38.8176.3-167170.973.7-1020.1112.3S690 D691 L692 N698S690-R694 WeakPolarHBondContact O-CB 3.45Å; S690-R694 PolarHBondContact O-N 2.93Å; S690-R694 VanDerWaalsContact O-N 3.11Å; D691-R694 VanDerWaalsContact CG-NH2 3.27Å; D691-R694 PolarHBondContact O-N 2.97Å; D691-R694 IonicContact OD1-CZ 3.99Å; D691-R694 IonicContact OD1-NH1 3.89Å; D691-R694 PolarHBondContact OD1-NH1 2.62Å; D691-R694 IonicContact OD1-NH2 3.34Å; D691-R694 PolarHBondContact OD1-NH2 3.28Å; D691-R694 IonicContact OD2-NH2 2.79Å; D691-R694 PolarHBondContact OD2-NH2 2.86Å; L692-R694 VanDerWaalsContact C-N 3.33Å; L692-R694 PolarHBondContact O-N 3.02Å; R694-N698 WeakPolarHBondContact O-CB 3.33Å; R694-N698 PolarHBondContact O-N 2.82Å; R694-N698 PolarHBondContact O-ND2 3.41Å
695R98.8Very high98.7Very high165 Ų16596.5 Ų96.562%0.62349%0.488SS*.Hα-helixtrans-68.6-39.3173.9-68.7169.2-162.2-140.44.5112.1D691 L692 F693 N698 L699D691-R695 VanDerWaalsContact O-CG 3.26Å; D691-R695 WeakPolarHBondContact O-CG 3.33Å; D691-R695 PolarHBondContact O-N 3.09Å; D691-R695 IonicContact OD2-CZ 3.77Å; D691-R695 IonicContact OD2-NE 3.64Å; D691-R695 PolarHBondContact OD2-NE 3.39Å; D691-R695 IonicContact OD2-NH2 2.65Å; D691-R695 PolarHBondContact OD2-NH2 3.05Å; L692-R695 PolarHBondContact O-N 3.09Å; F693-R695 VanDerWaalsContact C-N 3.34Å; F693-R695 PolarHBondContact O-N 3.47Å; R695-N698 PolarHBondContact O-N 3.04Å; R695-L699 WeakPolarHBondContact O-CB 3.4Å; R695-L699 PolarHBondContact O-N 3.48Å
696Y98.8Very high98.7Very high136 Ų13698.6 Ų98.653%0.53349%0.49SS..Hα-helixtrans-64.1-49.3178.4173.9-98.5000112.2L692 F693 N698 L699 K700L692-Y696 WeakPolarHBondContact O-CB 3.43Å; L692-Y696 PolarHBondContact O-N 2.92Å; F693-Y696 PolarHBondContact O-N 3.17Å; Y696-N698 VanDerWaalsContact C-N 3.32Å; Y696-N698 PolarHBondContact O-N 3.4Å; Y696-L699 PolarHBondContact O-N 3.24Å; Y696-K700 HydrophobicContact CE1-CD 4.13Å; Y696-K700 VanDerWaalsContact O-CB 3.28Å; Y696-K700 WeakPolarHBondContact O-CB 3.1Å; Y696-K700 PolarHBondContact O-N 3.11Å
697E98.8Very high98.7Very high91 Ų9199.9 Ų99.943%0.42549%0.494SS..Hα-helixtrans-65.2-35.6178.3-71.9-64.4127.900112F693 K700 G701F693-E697 PolarHBondContact O-N 3.01Å; E697-K700 PolarHBondContact O-N 2.96Å; E697-K700 VanDerWaalsContact OE1-CD 3.28Å; E697-K700 WeakPolarHBondContact OE1-CD 3.44Å; E697-K700 IonicContact OE1-NZ 2.71Å; E697-K700 PolarHBondContact OE1-NZ 2.92Å; E697-K700 WeakPolarHBondContact OE2-CD 3.48Å; E697-K700 IonicContact OE2-NZ 3.5Å; E697-K700 PolarHBondContact OE2-NZ 2.67Å; E697-G701 PolarHBondContact O-N 2.7Å
698N98.6Very high98.7Very high109 Ų10998.3 Ų98.358%0.58349%0.491SS*.Hα-helixtrans-61.6-47.1170.5-74.7-8.3000112.2R694 R695 Y696 G701 V702R694-N698 WeakPolarHBondContact O-CB 3.33Å; R694-N698 PolarHBondContact O-N 2.82Å; R694-N698 PolarHBondContact O-ND2 3.41Å; R695-N698 PolarHBondContact O-N 3.04Å; Y696-N698 VanDerWaalsContact C-N 3.32Å; Y696-N698 PolarHBondContact O-N 3.4Å; N698-G701 PolarHBondContact O-N 3.32Å; N698-V702 WeakPolarHBondContact O-CG2 3.49Å; N698-V702 PolarHBondContact O-N 3.4Å
699L98.7Very high98.7Very high99 Ų9999 Ų9952%0.51849%0.489SS..Hα-helixtrans-63.1-42.8178.3176.460.6000111.8R695 Y696 G701 V702 L703R695-L699 WeakPolarHBondContact O-CB 3.4Å; R695-L699 PolarHBondContact O-N 3.48Å; Y696-L699 PolarHBondContact O-N 3.24Å; L699-G701 PolarHBondContact O-N 2.85Å; L699-V702 PolarHBondContact O-N 3.5Å; L699-L703 HydrophobicContact CD1-CD1 4.34Å; L699-L703 HydrophobicContact CD1-CG 4.31Å; L699-L703 HydrophobicContact CG-CD1 4.08Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 3.44Å
700K98.8Very high98.7Very high95 Ų9599.7 Ų99.741%0.41349%0.49SS..Hα-helixtrans-58-44174.1174.8-172.8170.5-160.70111.7Y696 E697 L703 E704Y696-K700 HydrophobicContact CE1-CD 4.13Å; Y696-K700 VanDerWaalsContact O-CB 3.28Å; Y696-K700 WeakPolarHBondContact O-CB 3.1Å; Y696-K700 PolarHBondContact O-N 3.11Å; E697-K700 PolarHBondContact O-N 2.96Å; E697-K700 VanDerWaalsContact OE1-CD 3.28Å; E697-K700 WeakPolarHBondContact OE1-CD 3.44Å; E697-K700 IonicContact OE1-NZ 2.71Å; E697-K700 PolarHBondContact OE1-NZ 2.92Å; E697-K700 WeakPolarHBondContact OE2-CD 3.48Å; E697-K700 IonicContact OE2-NZ 3.5Å; E697-K700 PolarHBondContact OE2-NZ 2.67Å; K700-L703 PolarHBondContact O-N 3.43Å; K700-E704 WeakPolarHBondContact O-CB 3.4Å; K700-E704 PolarHBondContact O-N 3.01Å
701G98.8Very high98.7Very high41 Ų41101.1 Ų101.142%0.42349%0.489SS..Hα-helixtrans-63.2-40173.300000113.5E697 N698 L699 E704 G705E697-G701 PolarHBondContact O-N 2.7Å; N698-G701 PolarHBondContact O-N 3.32Å; L699-G701 PolarHBondContact O-N 2.85Å; G701-E704 PolarHBondContact O-N 2.94Å; G701-G705 PolarHBondContact O-N 3.28Å
702V98.8Very high98.7Very high80 Ų80101.8 Ų101.849%0.48550%0.5SS..Hα-helixtrans-65.1-42.9174.41690000111.7N698 L699 G705 F706N698-V702 WeakPolarHBondContact O-CG2 3.49Å; N698-V702 PolarHBondContact O-N 3.4Å; L699-V702 PolarHBondContact O-N 3.5Å; V702-G705 WeakPolarHBondContact O-CA 3.42Å; V702-G705 PolarHBondContact O-N 2.73Å; V702-F706 HydrophobicContact CG1-CD2 3.86Å; V702-F706 HydrophobicContact CG1-CE2 3.43Å; V702-F706 VanDerWaalsContact CG1-CE2 3.43Å; V702-F706 HydrophobicContact CG1-CZ 4.17Å; V702-F706 WeakPolarHBondContact O-CD2 3.26Å; V702-F706 PolarHBondContact O-N 3.3Å
703L98.8Very high98.7Very high101 Ų101101.6 Ų101.653%0.52950%0.499SS..Hα-helixtrans-64-40.3175.7-71.6169.1000112.2L699 K700 G705 F706 K707L699-L703 HydrophobicContact CD1-CD1 4.34Å; L699-L703 HydrophobicContact CD1-CG 4.31Å; L699-L703 HydrophobicContact CG-CD1 4.08Å; L699-L703 WeakPolarHBondContact O-CG 3.42Å; L699-L703 PolarHBondContact O-N 3.44Å; K700-L703 PolarHBondContact O-N 3.43Å; L703-G705 VanDerWaalsContact C-N 3.3Å; L703-G705 PolarHBondContact O-N 3.05Å; L703-F706 PolarHBondContact O-N 3.07Å; L703-K707 PolarHBondContact O-N 3.47Å
704E98.7Very high98.7Very high106 Ų106101.4 Ų101.450%0.49550%0.499SS..Hα-helixtrans-64.2-36.7173.4-155.4-155.7169.300111.6K700 G701 K707 K708K700-E704 WeakPolarHBondContact O-CB 3.4Å; K700-E704 PolarHBondContact O-N 3.01Å; G701-E704 PolarHBondContact O-N 2.94Å; E704-K707 PolarHBondContact O-N 3.13Å; E704-K708 WeakPolarHBondContact O-CG 3.34Å; E704-K708 PolarHBondContact O-N 2.97Å; E704-K708 WeakPolarHBondContact OE1-CE 3.44Å; E704-K708 IonicContact OE1-NZ 2.85Å; E704-K708 PolarHBondContact OE1-NZ 3.46Å; E704-K708 IonicContact OE2-NZ 2.57Å; E704-K708 PolarHBondContact OE2-NZ 2.85Å; E704-K708 VanDerWaalsContact OE2-NZ 3.11Å
705G98.7Very high98.7Very high38 Ų38101.1 Ų101.139%0.39250%0.501SS..Hα-helixtrans-61.5-46.2171.200000112.9G701 V702 L703 K708 N709G701-G705 PolarHBondContact O-N 3.28Å; V702-G705 WeakPolarHBondContact O-CA 3.42Å; V702-G705 PolarHBondContact O-N 2.73Å; L703-G705 VanDerWaalsContact C-N 3.3Å; L703-G705 PolarHBondContact O-N 3.05Å; G705-K708 PolarHBondContact O-N 3.07Å; G705-N709 PolarHBondContact O-N 3.42Å
706F98.8Very high98.7Very high134 Ų13495.7 Ų95.759%0.58849%0.488SS*.Hα-helixtrans-63-40.5175.2-73.3-49.1000112.4V702 L703 N709 E710V702-F706 HydrophobicContact CG1-CD2 3.86Å; V702-F706 HydrophobicContact CG1-CE2 3.43Å; V702-F706 VanDerWaalsContact CG1-CE2 3.43Å; V702-F706 HydrophobicContact CG1-CZ 4.17Å; V702-F706 WeakPolarHBondContact O-CD2 3.26Å; V702-F706 PolarHBondContact O-N 3.3Å; L703-F706 PolarHBondContact O-N 3.07Å; F706-N709 WeakPolarHBondContact O-CB 3.5Å; F706-N709 PolarHBondContact O-N 2.93Å; F706-E710 PolarHBondContact O-N 2.94Å
707K98.8Very high98.7Very high120 Ų12092 Ų9252%0.52249%0.486SS..Hα-helixtrans-59.9-47.1174.8-177.7179.4173.5-177.70111.9L703 E704 N709 E710 E711L703-K707 PolarHBondContact O-N 3.47Å; E704-K707 PolarHBondContact O-N 3.13Å; K707-N709 VanDerWaalsContact C-N 3.28Å; K707-N709 PolarHBondContact O-N 3.09Å; K707-E710 WeakPolarHBondContact O-CB 3.06Å; K707-E710 PolarHBondContact O-N 2.82Å; K707-E711 WeakPolarHBondContact CE-OE1 3.49Å; K707-E711 WeakPolarHBondContact O-CG 3.38Å; K707-E711 PolarHBondContact O-N 2.92Å
708K98.8Very high98.7Very high108 Ų10894 Ų9447%0.4750%0.495SS..Hα-helixtrans-61.4-36.2176.1-71.1164.7-175.3166.90112.1E704 G705 A712E704-K708 WeakPolarHBondContact O-CG 3.34Å; E704-K708 PolarHBondContact O-N 2.97Å; E704-K708 WeakPolarHBondContact OE1-CE 3.44Å; E704-K708 IonicContact OE1-NZ 2.85Å; E704-K708 PolarHBondContact OE1-NZ 3.46Å; E704-K708 IonicContact OE2-NZ 2.57Å; E704-K708 PolarHBondContact OE2-NZ 2.85Å; E704-K708 VanDerWaalsContact OE2-NZ 3.11Å; G705-K708 PolarHBondContact O-N 3.07Å; K708-A712 WeakPolarHBondContact O-CB 3.36Å; K708-A712 PolarHBondContact O-N 3.24Å
709N98.6Very high98.7Very high88 Ų8892.5 Ų92.547%0.47149%0.487SS..Hα-helixtrans-68.6-41174.1-178.162.2000112.4G705 F706 K707 A712 L713G705-N709 PolarHBondContact O-N 3.42Å; F706-N709 WeakPolarHBondContact O-CB 3.5Å; F706-N709 PolarHBondContact O-N 2.93Å; K707-N709 VanDerWaalsContact C-N 3.28Å; K707-N709 PolarHBondContact O-N 3.09Å; N709-A712 PolarHBondContact O-N 3.36Å; N709-L713 WeakPolarHBondContact O-CB 3.47Å; N709-L713 WeakPolarHBondContact O-CG 3.42Å; N709-L713 PolarHBondContact O-N 3.43Å
710E98.4Very high98.7Very high96 Ų9694.3 Ų94.345%0.44949%0.488SS..Hα-helixtrans-61.3-44.7174.7-167.1-163.3166.200111.6F706 K707 L713 K714F706-E710 PolarHBondContact O-N 2.94Å; K707-E710 WeakPolarHBondContact O-CB 3.06Å; K707-E710 PolarHBondContact O-N 2.82Å; E710-L713 PolarHBondContact O-N 2.79Å; E710-K714 HydrophobicContact CG-CD 4.42Å; E710-K714 WeakPolarHBondContact O-CB 3.28Å; E710-K714 WeakPolarHBondContact O-CG 3.46Å; E710-K714 PolarHBondContact O-N 3.37Å; E710-K714 WeakPolarHBondContact OE1-CE 3.45Å; E710-K714 IonicContact OE1-NZ 3.58Å; E710-K714 PolarHBondContact OE1-NZ 2.98Å
711E98.7Very high98.7Very high101 Ų10195.8 Ų95.847%0.47250%0.5SS..Hα-helixtrans-61.3-42.5175-71.6169.9-173.100111.9K707 K714 K715K707-E711 WeakPolarHBondContact CE-OE1 3.49Å; K707-E711 WeakPolarHBondContact O-CG 3.38Å; K707-E711 PolarHBondContact O-N 2.92Å; E711-K714 PolarHBondContact O-N 2.93Å; E711-K715 WeakPolarHBondContact O-CB 3.28Å; E711-K715 PolarHBondContact O-N 3.07Å
712A98.8Very high98.7Very high59 Ų5996.6 Ų96.649%0.48850%0.502SS..Hα-helixtrans-64.5-41.4175.300000112.6K708 N709 K715 C716K708-A712 WeakPolarHBondContact O-CB 3.36Å; K708-A712 PolarHBondContact O-N 3.24Å; N709-A712 PolarHBondContact O-N 3.36Å; A712-K715 PolarHBondContact O-N 2.81Å; A712-C716 WeakPolarHBondContact O-CB 3.47Å; A712-C716 PolarHBondContact O-N 3Å
713L98.8Very high98.7Very high105 Ų10598.4 Ų98.455%0.5550%0.5SS..Hα-helixtrans-67.1-43.3176.6-74.1168.5000111.9N709 E710 K715 C716 A717N709-L713 WeakPolarHBondContact O-CB 3.47Å; N709-L713 WeakPolarHBondContact O-CG 3.42Å; N709-L713 PolarHBondContact O-N 3.43Å; E710-L713 PolarHBondContact O-N 2.79Å; L713-K715 PolarHBondContact O-N 3.16Å; L713-C716 WeakPolarHBondContact O-CB 3.4Å; L713-C716 PolarHBondContact O-N 2.9Å; L713-A717 PolarHBondContact O-N 2.94Å
714K98.8Very high98.7Very high122 Ų12298.1 Ų98.153%0.5350%0.502SS..Hα-helixtrans-57.2-47.4173.5-77.7172.8-179.6169.60111.4E710 E711 A717 Q718E710-K714 HydrophobicContact CG-CD 4.42Å; E710-K714 WeakPolarHBondContact O-CB 3.28Å; E710-K714 WeakPolarHBondContact O-CG 3.46Å; E710-K714 PolarHBondContact O-N 3.37Å; E710-K714 WeakPolarHBondContact OE1-CE 3.45Å; E710-K714 IonicContact OE1-NZ 3.58Å; E710-K714 PolarHBondContact OE1-NZ 2.98Å; E711-K714 PolarHBondContact O-N 2.93Å; K714-A717 PolarHBondContact O-N 3.3Å; K714-Q718 PolarHBondContact O-N 3.36Å
715K98.8Very high98.7Very high129 Ų12999.2 Ų99.256%0.56151%0.505SS*.Hα-helixtrans-61.2-44.3175.2-176.4176.7178.71790111.8E711 A712 L713 A717 Q718 D719E711-K715 WeakPolarHBondContact O-CB 3.28Å; E711-K715 PolarHBondContact O-N 3.07Å; A712-K715 PolarHBondContact O-N 2.81Å; L713-K715 PolarHBondContact O-N 3.16Å; K715-A717 VanDerWaalsContact C-N 3.34Å; K715-A717 PolarHBondContact O-N 2.96Å; K715-Q718 WeakPolarHBondContact O-CB 3.24Å; K715-Q718 PolarHBondContact O-N 2.99Å; K715-D719 PolarHBondContact O-N 3.48Å
716C98.6Very high98.7Very high52 Ų52103 Ų10335%0.35151%0.513SS..Hα-helixtrans-60.2-43.5178.6-163.80000112A712 L713 D719 Y720A712-C716 WeakPolarHBondContact O-CB 3.47Å; A712-C716 PolarHBondContact O-N 3Å; L713-C716 WeakPolarHBondContact O-CB 3.4Å; L713-C716 PolarHBondContact O-N 2.9Å; C716-D719 PolarHBondContact O-N 3.49Å; C716-Y720 WeakPolarHBondContact O-CD2 3.39Å; C716-Y720 PolarHBondContact O-N 3.1Å; C716-Y720 VanDerWaalsContact SG-CE2 3.56Å
717A98.8Very high98.7Very high59 Ų59101.3 Ų101.349%0.48851%0.507SS..Hα-helixtrans-62.3-41.9174.200000112.4L713 K714 K715 Y720 L721L713-A717 PolarHBondContact O-N 2.94Å; K714-A717 PolarHBondContact O-N 3.3Å; K715-A717 VanDerWaalsContact C-N 3.34Å; K715-A717 PolarHBondContact O-N 2.96Å; A717-Y720 PolarHBondContact O-N 2.98Å; A717-L721 PolarHBondContact O-N 3.01Å
718Q98.8Very high98.7Very high133 Ų133100.3 Ų100.362%0.62150%0.504SS*.Hα-helixtrans-62.7-41.7174.7-170.3178.112.300112.1K714 K715 Y720 L721 A722K714-Q718 PolarHBondContact O-N 3.36Å; K715-Q718 WeakPolarHBondContact O-CB 3.24Å; K715-Q718 PolarHBondContact O-N 2.99Å; Q718-Y720 VanDerWaalsContact C-N 3.3Å; Q718-Y720 PolarHBondContact O-N 3.25Å; Q718-L721 PolarHBondContact O-N 2.92Å; Q718-A722 WeakPolarHBondContact O-CB 3.45Å; Q718-A722 PolarHBondContact O-N 3.26Å
719D98.8Very high98.7Very high76 Ų76100.4 Ų100.441%0.40651%0.506SS..Hα-helixtrans-67-28176.2-72.8-26.3000112.4K715 C716 R723K715-D719 PolarHBondContact O-N 3.48Å; C716-D719 PolarHBondContact O-N 3.49Å; D719-R723 WeakPolarHBondContact O-CG 3.2Å; D719-R723 PolarHBondContact O-N 2.93Å; D719-R723 PolarHBondContact O-NE 3.01Å
720Y98.8Very high98.7Very high138 Ų138104.7 Ų104.754%0.54152%0.516SS..Hα-helixtrans-71.7-48.4168.3-76-64.6000111.8C716 A717 Q718 A722 R723 V724C716-Y720 WeakPolarHBondContact O-CD2 3.39Å; C716-Y720 PolarHBondContact O-N 3.1Å; C716-Y720 VanDerWaalsContact SG-CE2 3.56Å; A717-Y720 PolarHBondContact O-N 2.98Å; Q718-Y720 VanDerWaalsContact C-N 3.3Å; Q718-Y720 PolarHBondContact O-N 3.25Å; Y720-A722 VanDerWaalsContact C-N 3.3Å; Y720-A722 PolarHBondContact O-N 2.89Å; Y720-R723 VanDerWaalsContact CE1-NH2 3.25Å; Y720-R723 PolarHBondContact O-N 3.33Å; Y720-R723 VanDerWaalsContact O-N 3.17Å; Y720-V724 WeakPolarHBondContact O-CG2 3.29Å; Y720-V724 PolarHBondContact O-N 2.77Å
721L98.8Very high98.7Very high126 Ų126107.6 Ų107.666%0.6652%0.524SS*.Hα-helixtrans-57.5-42.7178.8-173.371.5000111.9A717 Q718 V724 K725A717-L721 PolarHBondContact O-N 3.01Å; Q718-L721 PolarHBondContact O-N 2.92Å; L721-V724 PolarHBondContact O-N 3.29Å; L721-K725 WeakPolarHBondContact O-CB 3.46Å; L721-K725 PolarHBondContact O-N 3.32Å
722A98.8Very high98.7Very high57 Ų57107 Ų10747%0.47152%0.521SS..Hα-helixtrans-61.6-43.8176.900000112.5Q718 Y720 K725 Q726Q718-A722 WeakPolarHBondContact O-CB 3.45Å; Q718-A722 PolarHBondContact O-N 3.26Å; Y720-A722 VanDerWaalsContact C-N 3.3Å; Y720-A722 PolarHBondContact O-N 2.89Å; A722-K725 PolarHBondContact O-N 2.92Å; A722-Q726 WeakPolarHBondContact O-CB 3.41Å; A722-Q726 PolarHBondContact O-N 2.95Å
723R98.8Very high98.7Very high118 Ų118107.1 Ų107.145%0.44552%0.522SS..Hα-helixtrans-66.7-43176.5-78.5177.2-72.9170.5-1.1112.4D719 Y720 K725 Q726 E727D719-R723 WeakPolarHBondContact O-CG 3.2Å; D719-R723 PolarHBondContact O-N 2.93Å; D719-R723 PolarHBondContact O-NE 3.01Å; Y720-R723 VanDerWaalsContact CE1-NH2 3.25Å; Y720-R723 PolarHBondContact O-N 3.33Å; Y720-R723 VanDerWaalsContact O-N 3.17Å; R723-K725 VanDerWaalsContact C-N 3.33Å; R723-K725 PolarHBondContact O-N 3.48Å; R723-Q726 PolarHBondContact O-N 3.31Å; R723-E727 PolarHBondContact O-N 3.4Å
724V98.8Very high98.7Very high96 Ų96107.3 Ų107.358%0.58252%0.523SS*.Hα-helixtrans-58-47.1175.2171.30000110.4Y720 L721 Q726 E727 E728Y720-V724 WeakPolarHBondContact O-CG2 3.29Å; Y720-V724 PolarHBondContact O-N 2.77Å; L721-V724 PolarHBondContact O-N 3.29Å; V724-Q726 PolarHBondContact O-N 3.02Å; V724-E727 PolarHBondContact O-N 3.29Å; V724-E728 WeakPolarHBondContact O-CB 3.36Å; V724-E728 PolarHBondContact O-N 3.49Å
725K98.8Very high98.7Very high128 Ų128106.3 Ų106.356%0.55752%0.518SS*.Hα-helixtrans-63.7-37.8177.6-171.9172.2-176.3172.90113.2L721 A722 R723 Q729L721-K725 WeakPolarHBondContact O-CB 3.46Å; L721-K725 PolarHBondContact O-N 3.32Å; A722-K725 PolarHBondContact O-N 2.92Å; R723-K725 VanDerWaalsContact C-N 3.33Å; R723-K725 PolarHBondContact O-N 3.48Å; K725-Q729 VanDerWaalsContact O-CG 3.32Å; K725-Q729 WeakPolarHBondContact O-CG 3.43Å; K725-Q729 PolarHBondContact O-N 3.1Å
726Q98.8Very high98.7Very high119 Ų119104.4 Ų104.456%0.55651%0.514SS*.Hα-helixtrans-64.9-45.1175.5-179.1174.112.300111.8A722 R723 V724 Q729 R730A722-Q726 WeakPolarHBondContact O-CB 3.41Å; A722-Q726 PolarHBondContact O-N 2.95Å; R723-Q726 PolarHBondContact O-N 3.31Å; V724-Q726 PolarHBondContact O-N 3.02Å; Q726-Q729 PolarHBondContact O-N 2.69Å; Q726-R730 WeakPolarHBondContact O-CB 3.47Å; Q726-R730 PolarHBondContact O-N 3.11Å
727E98.3Very high98.7Very high97 Ų97105.9 Ų105.945%0.45352%0.515SS..Hα-helixtrans-72.8-29178.8-105.955.298.800112.5R723 V724 R730 Y731R723-E727 PolarHBondContact O-N 3.4Å; V724-E727 PolarHBondContact O-N 3.29Å; E727-R730 WeakPolarHBondContact O-CB 3.27Å; E727-R730 PolarHBondContact O-N 2.84Å; E727-R730 VanDerWaalsContact OE2-CD 3.32Å; E727-R730 WeakPolarHBondContact OE2-CD 3.43Å; E727-R730 IonicContact OE2-NH1 3.83Å; E727-Y731 WeakPolarHBondContact O-CB 3.38Å; E727-Y731 PolarHBondContact O-N 3.37Å
728E98.6Very high98.7Very high100 Ų100105.7 Ų105.747%0.46751%0.513SS..Hα-helixtrans-64-50.5169-167.5-161.1162.700111.2V724 R730 Y731 Q732V724-E728 WeakPolarHBondContact O-CB 3.36Å; V724-E728 PolarHBondContact O-N 3.49Å; E728-R730 PolarHBondContact O-N 3.49Å; E728-Y731 WeakPolarHBondContact O-CA 3.38Å; E728-Y731 WeakPolarHBondContact O-CB 3.28Å; E728-Y731 PolarHBondContact O-N 3.21Å; E728-Q732 WeakPolarHBondContact O-CG 3.4Å; E728-Q732 PolarHBondContact O-N 2.92Å; E728-Q732 PolarHBondContact OE1-NE2 2.74Å
729Q98.7Very high98.7Very high110 Ų110103.4 Ų103.451%0.51450%0.503SS..Hα-helixtrans-57.5-39.6174.9-74.6176.3-18.700111.9K725 Q726 Q732 A733K725-Q729 VanDerWaalsContact O-CG 3.32Å; K725-Q729 WeakPolarHBondContact O-CG 3.43Å; K725-Q729 PolarHBondContact O-N 3.1Å; Q726-Q729 PolarHBondContact O-N 2.69Å; Q729-Q732 PolarHBondContact O-N 2.86Å; Q729-A733 WeakPolarHBondContact O-CB 3.32Å; Q729-A733 PolarHBondContact O-N 3.46Å
730R98.7Very high98.7Very high178 Ų178105.4 Ų105.467%0.67251%0.51SS*.Hα-helixtrans-63-41174.2-177.2-172.3-176.7130.45.7112.3Q726 E727 E728 L734Q726-R730 WeakPolarHBondContact O-CB 3.47Å; Q726-R730 PolarHBondContact O-N 3.11Å; E727-R730 WeakPolarHBondContact O-CB 3.27Å; E727-R730 PolarHBondContact O-N 2.84Å; E727-R730 VanDerWaalsContact OE2-CD 3.32Å; E727-R730 WeakPolarHBondContact OE2-CD 3.43Å; E727-R730 IonicContact OE2-NH1 3.83Å; E728-R730 PolarHBondContact O-N 3.49Å; R730-L734 WeakPolarHBondContact O-CB 3.38Å; R730-L734 PolarHBondContact O-N 3.43Å
731Y98.8Very high98.7Very high157 Ų157104.8 Ų104.862%0.61651%0.51SS*.Hα-helixtrans-66.3-46.3175.3173.2-102.7000111.5E727 E728 A733 L734 K735E727-Y731 WeakPolarHBondContact O-CB 3.38Å; E727-Y731 PolarHBondContact O-N 3.37Å; E728-Y731 WeakPolarHBondContact O-CA 3.38Å; E728-Y731 WeakPolarHBondContact O-CB 3.28Å; E728-Y731 PolarHBondContact O-N 3.21Å; Y731-A733 PolarHBondContact O-N 3.1Å; Y731-L734 PolarHBondContact O-N 2.87Å; Y731-L734 VanDerWaalsContact O-N 3.16Å; Y731-K735 WeakPolarHBondContact O-CB 3.49Å; Y731-K735 PolarHBondContact O-N 3.27Å
732Q98.7Very high98.7Very high89 Ų89103.8 Ų103.842%0.41650%0.504SS..Hα-helixtrans-56.7-47.1175.8-68.2172.77.800111.4E728 Q729 L734 K735 I736E728-Q732 WeakPolarHBondContact O-CG 3.4Å; E728-Q732 PolarHBondContact O-N 2.92Å; E728-Q732 PolarHBondContact OE1-NE2 2.74Å; Q729-Q732 PolarHBondContact O-N 2.86Å; Q732-L734 PolarHBondContact O-N 3.08Å; Q732-K735 WeakPolarHBondContact O-CB 3.46Å; Q732-K735 PolarHBondContact O-N 3.37Å; Q732-I736 WeakPolarHBondContact O-CG1 3.45Å; Q732-I736 PolarHBondContact O-N 2.83Å
733A98.7Very high98.7Very high60 Ų60105.7 Ų105.750%0.49651%0.507SS..Hα-helixtrans-64.4-36.8176.900000113.1Q729 Y731 H737Q729-A733 WeakPolarHBondContact O-CB 3.32Å; Q729-A733 PolarHBondContact O-N 3.46Å; Y731-A733 PolarHBondContact O-N 3.1Å; A733-H737 PolarHBondContact O-N 3.47Å
734L98.8Very high98.6Very high110 Ų110105.9 Ų105.958%0.57651%0.511SS*.Hα-helixtrans-69.7-38175.4179.960000112.1R730 Y731 Q732 A738R730-L734 WeakPolarHBondContact O-CB 3.38Å; R730-L734 PolarHBondContact O-N 3.43Å; Y731-L734 PolarHBondContact O-N 2.87Å; Y731-L734 VanDerWaalsContact O-N 3.16Å; Q732-L734 PolarHBondContact O-N 3.08Å; L734-A738 PolarHBondContact O-N 2.75Å; L734-A738 VanDerWaalsContact O-N 3.1Å
735K98.8Very high98.6Very high100 Ų100103.4 Ų103.444%0.43550%0.5SS..Hα-helixtrans-61.1-54.6176.2-179.4-171.4161.3179.70110.5Y731 Q732 H737 A738 E739Y731-K735 WeakPolarHBondContact O-CB 3.49Å; Y731-K735 PolarHBondContact O-N 3.27Å; Q732-K735 WeakPolarHBondContact O-CB 3.46Å; Q732-K735 PolarHBondContact O-N 3.37Å; K735-H737 VanDerWaalsContact C-N 3.33Å; K735-H737 PolarHBondContact O-N 3.5Å; K735-A738 WeakPolarHBondContact O-CA 3.25Å; K735-A738 WeakPolarHBondContact O-CB 3.25Å; K735-A738 PolarHBondContact O-N 2.82Å; K735-E739 WeakPolarHBondContact CE-OE1 3.38Å; K735-E739 WeakPolarHBondContact CE-OE2 3.35Å; K735-E739 HydrophobicContact CG-CG 4.47Å; K735-E739 IonicContact NZ-OE1 2.66Å; K735-E739 PolarHBondContact NZ-OE1 2.88Å; K735-E739 WeakPolarHBondContact O-CG 3.26Å; K735-E739 PolarHBondContact O-N 2.85Å
736I98.7Very high98.6Very high90 Ų90101.3 Ų101.346%0.46250%0.495SS..Hα-helixtrans-55-48.4179.8-67.2163.4000110.8Q732 A738 E739 E740Q732-I736 WeakPolarHBondContact O-CG1 3.45Å; Q732-I736 PolarHBondContact O-N 2.83Å; I736-A738 PolarHBondContact O-N 2.67Å; I736-E739 PolarHBondContact O-N 3.36Å; I736-E739 VanDerWaalsContact O-N 3.14Å; I736-E740 HydrophobicContact CG2-CG 4.3Å; I736-E740 WeakPolarHBondContact O-CB 3.39Å; I736-E740 WeakPolarHBondContact O-CG 3.33Å; I736-E740 PolarHBondContact O-N 2.87Å
737H98.7Very high98.6Very high82 Ų82102.2 Ų102.238%0.3850%0.5SS..Hα-helixtrans-69.2-15.3178.6155.3-96000114.3A733 K735 K741A733-H737 PolarHBondContact O-N 3.47Å; K735-H737 VanDerWaalsContact C-N 3.33Å; K735-H737 PolarHBondContact O-N 3.5Å; H737-K741 PolarHBondContact CE1-NZ 2.94Å; H737-K741 VanDerWaalsContact CE1-NZ 3.29Å; H737-K741 WeakPolarHBondContact NE2-CE 3.31Å; H737-K741 PolarHBondContact NE2-NZ 2.94Å; H737-K741 WeakPolarHBondContact O-CD 3.42Å; H737-K741 WeakPolarHBondContact O-CG 3.29Å
738A98.6Very high98.6Very high55 Ų55102.7 Ų102.746%0.45550%0.502SS..Hα-helixtrans-83-42168.300000111.3L734 K735 I736 K741 L742L734-A738 PolarHBondContact O-N 2.75Å; L734-A738 VanDerWaalsContact O-N 3.1Å; K735-A738 WeakPolarHBondContact O-CA 3.25Å; K735-A738 WeakPolarHBondContact O-CB 3.25Å; K735-A738 PolarHBondContact O-N 2.82Å; I736-A738 PolarHBondContact O-N 2.67Å; A738-K741 PolarHBondContact O-N 3.24Å; A738-L742 PolarHBondContact O-N 3.49Å
739E98.4Very high98.6Very high86 Ų86101.4 Ų101.440%0.40250%0.498SS..Hα-helixtrans-60.6-51.3174.6-68.3169.9142.300110.8K735 I736 K741 L742 D743K735-E739 WeakPolarHBondContact CE-OE1 3.38Å; K735-E739 WeakPolarHBondContact CE-OE2 3.35Å; K735-E739 HydrophobicContact CG-CG 4.47Å; K735-E739 IonicContact NZ-OE1 2.66Å; K735-E739 PolarHBondContact NZ-OE1 2.88Å; K735-E739 WeakPolarHBondContact O-CG 3.26Å; K735-E739 PolarHBondContact O-N 2.85Å; I736-E739 PolarHBondContact O-N 3.36Å; I736-E739 VanDerWaalsContact O-N 3.14Å; E739-K741 PolarHBondContact O-N 2.86Å; E739-L742 PolarHBondContact O-N 3.49Å; E739-D743 PolarHBondContact O-N 2.74Å
740E98.6Very high98.6Very high117 Ų11798.5 Ų98.555%0.54749%0.492SS..Hα-helixtrans-50.2-35.9173.1-74.4174.917100113.5I736 K744I736-E740 HydrophobicContact CG2-CG 4.3Å; I736-E740 WeakPolarHBondContact O-CB 3.39Å; I736-E740 WeakPolarHBondContact O-CG 3.33Å; I736-E740 PolarHBondContact O-N 2.87Å; E740-K744 VanDerWaalsContact O-CB 3.3Å; E740-K744 WeakPolarHBondContact O-CB 3.36Å; E740-K744 PolarHBondContact O-N 2.93Å; E740-K744 VanDerWaalsContact O-N 3.1Å
741K98.6Very high98.6Very high126 Ų12696.4 Ų96.455%0.54849%0.49SS..Hα-helixtrans-79.7-36.2179.8-84176.7169.3166.80113H737 A738 E739 A745H737-K741 PolarHBondContact CE1-NZ 2.94Å; H737-K741 VanDerWaalsContact CE1-NZ 3.29Å; H737-K741 WeakPolarHBondContact NE2-CE 3.31Å; H737-K741 PolarHBondContact NE2-NZ 2.94Å; H737-K741 WeakPolarHBondContact O-CD 3.42Å; H737-K741 WeakPolarHBondContact O-CG 3.29Å; A738-K741 PolarHBondContact O-N 3.24Å; E739-K741 PolarHBondContact O-N 2.86Å; K741-A745 WeakPolarHBondContact O-CB 3.16Å; K741-A745 PolarHBondContact O-N 3.44Å
742L98.6Very high98.6Very high104 Ų10493.6 Ų93.655%0.54549%0.489SS..Hα-helixtrans-67.4-45174.6-179.2144.9000110.1A738 E739 A745 N746A738-L742 PolarHBondContact O-N 3.49Å; E739-L742 PolarHBondContact O-N 3.49Å; L742-A745 PolarHBondContact O-N 3.07Å; L742-N746 VanDerWaalsContact CD2-ND2 3.3Å; L742-N746 WeakPolarHBondContact CD2-ND2 3.49Å; L742-N746 WeakPolarHBondContact O-CB 3.43Å; L742-N746 VanDerWaalsContact O-CG 3.28Å; L742-N746 PolarHBondContact O-N 3.43Å; L742-N746 PolarHBondContact O-ND2 3.41Å
743D98.6Very high98.6Very high98 Ų9897.5 Ų97.552%0.52450%0.5SS..Hα-helixtrans-61.5-46.2175.4-73.3-23000111.9E739 A745 N746 E747E739-D743 PolarHBondContact O-N 2.74Å; D743-A745 PolarHBondContact O-N 2.9Å; D743-N746 CarbonylContact O-C 3.6Å; D743-N746 WeakPolarHBondContact O-CB 3.33Å; D743-N746 PolarHBondContact O-N 3.37Å; D743-E747 PolarHBondContact O-N 2.61Å
744K98.5Very high98.5Very high121 Ų12198.9 Ų98.953%0.52650%0.502SS..Hα-helixtrans-61.7-41.9174.9177.9168.6174.6169.70112.6E740 N746 E747 E748E740-K744 VanDerWaalsContact O-CB 3.3Å; E740-K744 WeakPolarHBondContact O-CB 3.36Å; E740-K744 PolarHBondContact O-N 2.93Å; E740-K744 VanDerWaalsContact O-N 3.1Å; K744-N746 VanDerWaalsContact C-N 3.3Å; K744-N746 PolarHBondContact O-N 2.91Å; K744-E747 PolarHBondContact O-N 3.04Å; K744-E748 WeakPolarHBondContact CE-OE1 3.41Å; K744-E748 IonicContact NZ-OE1 2.92Å; K744-E748 WeakPolarHBondContact O-CG 3.46Å; K744-E748 PolarHBondContact O-N 3.47Å
745A98.5Very high98.5Very high44 Ų4499.6 Ų99.636%0.36450%0.501SS..Hα-helixtrans-64-37.8175.700000111.5K741 L742 D743 E748 I749K741-A745 WeakPolarHBondContact O-CB 3.16Å; K741-A745 PolarHBondContact O-N 3.44Å; L742-A745 PolarHBondContact O-N 3.07Å; D743-A745 PolarHBondContact O-N 2.9Å; A745-E748 PolarHBondContact O-N 3.46Å; A745-I749 WeakPolarHBondContact O-CB 3.5Å; A745-I749 WeakPolarHBondContact O-CD1 3.37Å; A745-I749 WeakPolarHBondContact O-CG1 3.3Å; A745-I749 PolarHBondContact O-N 3.34Å
746N98.4Very high98.5Very high85 Ų8597.2 Ų97.246%0.45550%0.5SS..Hα-helixtrans-65.7-39.4174-74.9-29000112.4L742 D743 K744 I749 A750L742-N746 VanDerWaalsContact CD2-ND2 3.3Å; L742-N746 WeakPolarHBondContact CD2-ND2 3.49Å; L742-N746 WeakPolarHBondContact O-CB 3.43Å; L742-N746 VanDerWaalsContact O-CG 3.28Å; L742-N746 PolarHBondContact O-N 3.43Å; L742-N746 PolarHBondContact O-ND2 3.41Å; D743-N746 CarbonylContact O-C 3.6Å; D743-N746 WeakPolarHBondContact O-CB 3.33Å; D743-N746 PolarHBondContact O-N 3.37Å; K744-N746 VanDerWaalsContact C-N 3.3Å; K744-N746 PolarHBondContact O-N 2.91Å; N746-I749 PolarHBondContact O-N 2.92Å; N746-A750 WeakPolarHBondContact O-CB 2.98Å; N746-A750 PolarHBondContact O-N 3.43Å
747E98.5Very high98.5Very high137 Ų137100.5 Ų100.564%0.6451%0.511SS*.Hα-helixtrans-64.7-44.9173.4-170.6-178.1-159.100111.4D743 K744 I749 A750 Q751D743-E747 PolarHBondContact O-N 2.61Å; K744-E747 PolarHBondContact O-N 3.04Å; E747-I749 VanDerWaalsContact C-N 3.34Å; E747-I749 PolarHBondContact O-N 2.66Å; E747-A750 PolarHBondContact O-N 3.37Å; E747-Q751 WeakPolarHBondContact O-CB 3.13Å; E747-Q751 PolarHBondContact O-N 3.01Å
748E98.5Very high98.5Very high108 Ų10899.6 Ų99.651%0.50552%0.517SS..Hα-helixtrans-60.8-41.5174.6-72.7-178.9-164.800111.4K744 A745 Q751 V752K744-E748 WeakPolarHBondContact CE-OE1 3.41Å; K744-E748 IonicContact NZ-OE1 2.92Å; K744-E748 WeakPolarHBondContact O-CG 3.46Å; K744-E748 PolarHBondContact O-N 3.47Å; A745-E748 PolarHBondContact O-N 3.46Å; E748-Q751 PolarHBondContact O-N 3.31Å; E748-V752 WeakPolarHBondContact O-CG2 3.33Å; E748-V752 PolarHBondContact O-N 2.97Å
749I98.3Very high98.5Very high73 Ų73101.9 Ų101.937%0.37452%0.519SS..Hα-helixtrans-63.8-41.7173.4-72.6164.7000111.5A745 N746 E747 V752 R753A745-I749 WeakPolarHBondContact O-CB 3.5Å; A745-I749 WeakPolarHBondContact O-CD1 3.37Å; A745-I749 WeakPolarHBondContact O-CG1 3.3Å; A745-I749 PolarHBondContact O-N 3.34Å; N746-I749 PolarHBondContact O-N 2.92Å; E747-I749 VanDerWaalsContact C-N 3.34Å; E747-I749 PolarHBondContact O-N 2.66Å; I749-V752 PolarHBondContact O-N 2.92Å; I749-R753 HydrophobicContact CG2-CG 4.37Å; I749-R753 VanDerWaalsContact O-CB 3.32Å; I749-R753 WeakPolarHBondContact O-CB 3.33Å; I749-R753 VanDerWaalsContact O-CG 3.22Å; I749-R753 WeakPolarHBondContact O-CG 3.44Å; I749-R753 PolarHBondContact O-N 2.69Å
750A98.5Very high98.4Very high48 Ų48101.4 Ų101.440%0.39753%0.525SS..Hα-helixtrans-65.8-39.6176.800000111.8N746 E747 R753 T754N746-A750 WeakPolarHBondContact O-CB 2.98Å; N746-A750 PolarHBondContact O-N 3.43Å; E747-A750 PolarHBondContact O-N 3.37Å; A750-R753 PolarHBondContact O-N 2.88Å; A750-T754 WeakPolarHBondContact O-CB 3.22Å; A750-T754 WeakPolarHBondContact O-CG2 3.34Å; A750-T754 PolarHBondContact O-N 3.14Å; A750-T754 PolarHBondContact O-OG1 3.02Å
751Q98.5Very high98.4Very high134 Ų13498.6 Ų98.663%0.62652%0.522SS*.Hα-helixtrans-64.9-44.2174.7-170.1-179.299.700111.6E747 E748 T754 K755E747-Q751 WeakPolarHBondContact O-CB 3.13Å; E747-Q751 PolarHBondContact O-N 3.01Å; E748-Q751 PolarHBondContact O-N 3.31Å; Q751-T754 WeakPolarHBondContact CA-OG1 3.39Å; Q751-T754 PolarHBondContact O-OG1 3Å; Q751-K755 VanDerWaalsContact O-CB 3.24Å; Q751-K755 WeakPolarHBondContact O-CB 3.32Å; Q751-K755 PolarHBondContact O-N 2.85Å
752V98.7Very high98.4Very high99 Ų9995.8 Ų95.860%0.652%0.522SS*.Hα-helixtrans-63.6-44174.5170.80000111.1E748 I749 K755 A756E748-V752 WeakPolarHBondContact O-CG2 3.33Å; E748-V752 PolarHBondContact O-N 2.97Å; I749-V752 PolarHBondContact O-N 2.92Å; V752-K755 PolarHBondContact O-N 3.1Å; V752-A756 VanDerWaalsContact O-CB 3.27Å; V752-A756 WeakPolarHBondContact O-CB 3.44Å; V752-A756 PolarHBondContact O-N 3.06Å
753R98.3Very high98.3Very high170 Ų17097.1 Ų97.164%0.64253%0.529SS*.Hα-helixtrans-63.5-42.8177.9-76.2171174.5173.4-1.2112.6I749 A750 K757I749-R753 HydrophobicContact CG2-CG 4.37Å; I749-R753 VanDerWaalsContact O-CB 3.32Å; I749-R753 WeakPolarHBondContact O-CB 3.33Å; I749-R753 VanDerWaalsContact O-CG 3.22Å; I749-R753 WeakPolarHBondContact O-CG 3.44Å; I749-R753 PolarHBondContact O-N 2.69Å; A750-R753 PolarHBondContact O-N 2.88Å; R753-K757 WeakPolarHBondContact O-CB 3.37Å; R753-K757 VanDerWaalsContact O-CG 3.28Å; R753-K757 WeakPolarHBondContact O-CG 3.31Å; R753-K757 PolarHBondContact O-N 3.04Å
754T98.4Very high98.3Very high89 Ų8996.8 Ų96.855%0.54652%0.524SS..Hα-helixtrans-69.6-41.917847.40000111.8A750 Q751 K757 A758A750-T754 WeakPolarHBondContact O-CB 3.22Å; A750-T754 WeakPolarHBondContact O-CG2 3.34Å; A750-T754 PolarHBondContact O-N 3.14Å; A750-T754 PolarHBondContact O-OG1 3.02Å; Q751-T754 WeakPolarHBondContact CA-OG1 3.39Å; Q751-T754 PolarHBondContact O-OG1 3Å; T754-K757 PolarHBondContact O-N 3.34Å; T754-A758 PolarHBondContact O-N 3.1Å
755K98.4Very high98.3Very high126 Ų12693.9 Ų93.955%0.54852%0.523SS..Hα-helixtrans-59.9-49.1172.8-178.3-179.5167.7-174.80112Q751 V752 K757 A758 E759Q751-K755 VanDerWaalsContact O-CB 3.24Å; Q751-K755 WeakPolarHBondContact O-CB 3.32Å; Q751-K755 PolarHBondContact O-N 2.85Å; V752-K755 PolarHBondContact O-N 3.1Å; K755-K757 VanDerWaalsContact C-N 3.32Å; K755-K757 PolarHBondContact O-N 3.33Å; K755-A758 WeakPolarHBondContact O-CB 3.4Å; K755-A758 PolarHBondContact O-N 3.05Å; K755-A758 VanDerWaalsContact O-N 3.09Å; K755-E759 WeakPolarHBondContact CE-OE1 3.39Å; K755-E759 HydrophobicContact CG-CG 4.45Å; K755-E759 IonicContact NZ-OE1 2.61Å; K755-E759 WeakPolarHBondContact O-CG 3.5Å; K755-E759 PolarHBondContact O-N 3.29Å
756A98.4Very high98.3Very high50 Ų5093.5 Ų93.541%0.41352%0.523SS..Hα-helixtrans-62.3-37.2178.800000112.5V752 S760V752-A756 VanDerWaalsContact O-CB 3.27Å; V752-A756 WeakPolarHBondContact O-CB 3.44Å; V752-A756 PolarHBondContact O-N 3.06Å; A756-S760 WeakPolarHBondContact O-CB 3.48Å; A756-S760 PolarHBondContact O-N 3.2Å
757K98.4Very high98.2Very high158 Ų15894.5 Ų94.569%0.68753%0.528SS*.Hα-helixtrans-62.3-42.8171.3-77.1175.5178.4-174.30112.1R753 T754 K755 A761R753-K757 WeakPolarHBondContact O-CB 3.37Å; R753-K757 VanDerWaalsContact O-CG 3.28Å; R753-K757 WeakPolarHBondContact O-CG 3.31Å; R753-K757 PolarHBondContact O-N 3.04Å; T754-K757 PolarHBondContact O-N 3.34Å; K755-K757 VanDerWaalsContact C-N 3.32Å; K755-K757 PolarHBondContact O-N 3.33Å; K757-A761 WeakPolarHBondContact O-CB 3.45Å; K757-A761 PolarHBondContact O-N 2.87Å
758A98.3Very high98.2Very high63 Ų6395.1 Ų95.152%0.52152%0.524SS..Hα-helixtrans-67.1-42.6177.700000112.5T754 K755 A761 A762T754-A758 PolarHBondContact O-N 3.1Å; K755-A758 WeakPolarHBondContact O-CB 3.4Å; K755-A758 PolarHBondContact O-N 3.05Å; K755-A758 VanDerWaalsContact O-N 3.09Å; A758-A761 PolarHBondContact O-N 2.79Å; A758-A762 WeakPolarHBondContact O-CB 3.34Å; A758-A762 PolarHBondContact O-N 2.96Å
759E98.1Very high98.2Very high103 Ų10396.9 Ų96.948%0.48153%0.53SS..Hα-helixtrans-64.7-43175.3-71.5175.516300111.3K755 A762 L763K755-E759 WeakPolarHBondContact CE-OE1 3.39Å; K755-E759 HydrophobicContact CG-CG 4.45Å; K755-E759 IonicContact NZ-OE1 2.61Å; K755-E759 WeakPolarHBondContact O-CG 3.5Å; K755-E759 PolarHBondContact O-N 3.29Å; E759-A762 PolarHBondContact O-N 3.06Å; E759-L763 WeakPolarHBondContact O-CB 3.24Å; E759-L763 WeakPolarHBondContact O-CG 3.47Å; E759-L763 PolarHBondContact O-N 3.04Å
760S97.8Very high98.1Very high76 Ų7697.4 Ų97.453%0.53153%0.531SS..Hα-helixtrans-61.1-44.7173.7179.70000112.3A756 A762 L763 H764A756-S760 WeakPolarHBondContact O-CB 3.48Å; A756-S760 PolarHBondContact O-N 3.2Å; S760-A762 PolarHBondContact O-N 3.48Å; S760-L763 PolarHBondContact O-N 2.97Å; S760-H764 WeakPolarHBondContact O-CB 3.39Å; S760-H764 PolarHBondContact O-N 2.73Å
761A98.2Very high98.1Very high59 Ų59100 Ų10049%0.48854%0.535SS..Hα-helixtrans-63.2-39.5176.200000112.4K757 A758 H764 A765K757-A761 WeakPolarHBondContact O-CB 3.45Å; K757-A761 PolarHBondContact O-N 2.87Å; A758-A761 PolarHBondContact O-N 2.79Å; A761-H764 PolarHBondContact O-N 3.46Å; A761-A765 WeakPolarHBondContact O-CB 3.19Å; A761-A765 PolarHBondContact O-N 3.07Å
762A98.3Very high98Very high66 Ų6699.5 Ų99.555%0.54553%0.534SS..Hα-helixtrans-66.3-42.4175.500000112.3A758 E759 S760 A765 G766A758-A762 WeakPolarHBondContact O-CB 3.34Å; A758-A762 PolarHBondContact O-N 2.96Å; E759-A762 PolarHBondContact O-N 3.06Å; S760-A762 PolarHBondContact O-N 3.48Å; A762-A765 PolarHBondContact O-N 3.37Å; A762-G766 PolarHBondContact O-N 3.35Å
763L97.8Very high98Very high132 Ų13299.9 Ų99.969%0.69153%0.528SS*.Hα-helixtrans-64.6-41174.5-72.2172.6000111.9E759 S760 G766 L767E759-L763 WeakPolarHBondContact O-CB 3.24Å; E759-L763 WeakPolarHBondContact O-CG 3.47Å; E759-L763 PolarHBondContact O-N 3.04Å; S760-L763 PolarHBondContact O-N 2.97Å; L763-G766 PolarHBondContact O-N 3.3Å; L763-L767 WeakPolarHBondContact O-CB 3.23Å; L763-L767 PolarHBondContact O-N 3.02Å
764H98.1Very high97.9Very high92 Ų9295 Ų9543%0.42652%0.517SS..Hα-helixtrans-66.7-37.8177.3-167.952.5000112.6S760 A761 L767 R768S760-H764 WeakPolarHBondContact O-CB 3.39Å; S760-H764 PolarHBondContact O-N 2.73Å; A761-H764 PolarHBondContact O-N 3.46Å; H764-L767 PolarHBondContact O-N 2.89Å; H764-R768 PolarHBondContact NE2-NH2 2.9Å; H764-R768 PolarHBondContact O-N 3.27Å
765A98Very high97.9Very high60 Ų6094.6 Ų94.650%0.49651%0.508SS..Hα-helixtrans-65.5-40.2171.300000112.1A761 A762 K769A761-A765 WeakPolarHBondContact O-CB 3.19Å; A761-A765 PolarHBondContact O-N 3.07Å; A762-A765 PolarHBondContact O-N 3.37Å; A765-K769 WeakPolarHBondContact O-CB 3.34Å; A765-K769 PolarHBondContact O-N 2.97Å
766G97.8Very high97.8Very high36 Ų3691.4 Ų91.437%0.37150%0.502SS..Hα-helixtrans-62.3-45.9173.100000112.8A762 L763 K769 E770A762-G766 PolarHBondContact O-N 3.35Å; L763-G766 PolarHBondContact O-N 3.3Å; G766-K769 WeakPolarHBondContact O-CB 3.28Å; G766-K769 PolarHBondContact O-N 2.88Å; G766-E770 PolarHBondContact O-N 3.09Å; G766-E770 VanDerWaalsContact O-N 3.07Å
767L97.7Very high97.8Very high106 Ų10694.2 Ų94.256%0.55551%0.509SS*.Hα-helixtrans-58.5-50.7175.9177.860.9000111.1L763 H764 K769 E770 Q771L763-L767 WeakPolarHBondContact O-CB 3.23Å; L763-L767 PolarHBondContact O-N 3.02Å; H764-L767 PolarHBondContact O-N 2.89Å; L767-K769 VanDerWaalsContact C-N 3.28Å; L767-K769 PolarHBondContact O-N 3.47Å; L767-E770 PolarHBondContact O-N 3.49Å; L767-Q771 VanDerWaalsContact O-CB 3.29Å; L767-Q771 WeakPolarHBondContact O-CB 3.5Å; L767-Q771 PolarHBondContact O-N 3.3Å
768R97.7Very high97.7Very high150 Ų15091.6 Ų91.657%0.56650%0.5SS*.Hα-helixtrans-58.8-37.6176.2-78.4-173.2176.4144.8-5.3113.1H764 Q771 M772H764-R768 PolarHBondContact NE2-NH2 2.9Å; H764-R768 PolarHBondContact O-N 3.27Å; R768-Q771 PolarHBondContact O-N 2.89Å; R768-M772 WeakPolarHBondContact O-CB 3.3Å; R768-M772 VanDerWaalsContact O-CG 3.31Å; R768-M772 WeakPolarHBondContact O-CG 3.43Å; R768-M772 PolarHBondContact O-N 3.5Å
769K97.9Very high97.6Very high145 Ų14595 Ų9563%0.6350%0.499SS*.Hα-helixtrans-64.3-45.4177.8-177.1-169170.7-165.10111.8A765 G766 L767 K773A765-K769 WeakPolarHBondContact O-CB 3.34Å; A765-K769 PolarHBondContact O-N 2.97Å; G766-K769 WeakPolarHBondContact O-CB 3.28Å; G766-K769 PolarHBondContact O-N 2.88Å; L767-K769 VanDerWaalsContact C-N 3.28Å; L767-K769 PolarHBondContact O-N 3.47Å; K769-K773 WeakPolarHBondContact O-CB 3.5Å; K769-K773 PolarHBondContact O-N 3.45Å
770E96.9Very high97.6Very high84 Ų8492.4 Ų92.439%0.39350%0.495SS..Hα-helixtrans-73.5-33177.7-64-60.1127.600111.7G766 L767 K773 V774G766-E770 PolarHBondContact O-N 3.09Å; G766-E770 VanDerWaalsContact O-N 3.07Å; L767-E770 PolarHBondContact O-N 3.49Å; E770-K773 WeakPolarHBondContact O-CB 3.43Å; E770-K773 PolarHBondContact O-N 2.88Å; E770-K773 IonicContact OE1-NZ 2.65Å; E770-K773 WeakPolarHBondContact OE2-CD 3.38Å; E770-K773 IonicContact OE2-NZ 2.67Å; E770-K773 PolarHBondContact OE2-NZ 3.13Å; E770-V774 WeakPolarHBondContact O-CG2 3.46Å; E770-V774 PolarHBondContact O-N 3.49Å
771Q97.6Very high97.5Very high101 Ų10193.5 Ų93.547%0.47250%0.495SS..Hα-helixtrans-56.6-53.8170.8-169.676.63600111.3L767 R768 K773 V774 E775L767-Q771 VanDerWaalsContact O-CB 3.29Å; L767-Q771 WeakPolarHBondContact O-CB 3.5Å; L767-Q771 PolarHBondContact O-N 3.3Å; R768-Q771 PolarHBondContact O-N 2.89Å; Q771-K773 PolarHBondContact O-N 3.21Å; Q771-V774 PolarHBondContact O-N 3.38Å; Q771-V774 VanDerWaalsContact O-N 3.11Å; Q771-E775 WeakPolarHBondContact CG-OE1 3.39Å; Q771-E775 WeakPolarHBondContact O-CG 3.37Å; Q771-E775 PolarHBondContact O-N 2.98Å
772M97.8Very high97.5Very high124 Ų12496 Ų9661%0.61150%0.496SS*.Hα-helixtrans-59.4-31.1176.5-73.6174.6169.500113R768 S776R768-M772 WeakPolarHBondContact O-CB 3.3Å; R768-M772 VanDerWaalsContact O-CG 3.31Å; R768-M772 WeakPolarHBondContact O-CG 3.43Å; R768-M772 PolarHBondContact O-N 3.5Å; M772-S776 VanDerWaalsContact O-CB 3.31Å; M772-S776 WeakPolarHBondContact O-CB 3.43Å; M772-S776 PolarHBondContact O-N 3.48Å
773K97.9Very high97.4Very high107 Ų10797.9 Ų97.947%0.46549%0.494SS..Hα-helixtrans-74.8-39.4176174-179.4149.8-150.10111.8K769 E770 Q771 S776 L777K769-K773 WeakPolarHBondContact O-CB 3.5Å; K769-K773 PolarHBondContact O-N 3.45Å; E770-K773 WeakPolarHBondContact O-CB 3.43Å; E770-K773 PolarHBondContact O-N 2.88Å; E770-K773 IonicContact OE1-NZ 2.65Å; E770-K773 WeakPolarHBondContact OE2-CD 3.38Å; E770-K773 IonicContact OE2-NZ 2.67Å; E770-K773 PolarHBondContact OE2-NZ 3.13Å; Q771-K773 PolarHBondContact O-N 3.21Å; K773-S776 PolarHBondContact O-N 3.45Å; K773-L777 HydrophobicContact CG-CD1 4.29Å; K773-L777 WeakPolarHBondContact O-CG 3.32Å; K773-L777 PolarHBondContact O-N 2.9Å
774V97.6Very high97.3Very high68 Ų6896.9 Ų96.941%0.41248%0.484SS..Hα-helixtrans-61.5-52.9171.31700000109.8E770 Q771 S776 L777 E778E770-V774 WeakPolarHBondContact O-CG2 3.46Å; E770-V774 PolarHBondContact O-N 3.49Å; Q771-V774 PolarHBondContact O-N 3.38Å; Q771-V774 VanDerWaalsContact O-N 3.11Å; V774-S776 PolarHBondContact O-N 3Å; V774-S776 VanDerWaalsContact O-N 3.11Å; V774-L777 CarbonylContact O-C 3.59Å; V774-L777 PolarHBondContact O-N 3.5Å; V774-E778 HydrophobicContact CG1-CG 4.19Å; V774-E778 WeakPolarHBondContact CG1-OE1 3.24Å; V774-E778 WeakPolarHBondContact O-CG 2.77Å; V774-E778 PolarHBondContact O-N 2.79Å
775E97Very high97.3Very high80 Ų8096.4 Ų96.437%0.37448%0.484SS..Hα-helixtrans-54.6-34.1175.7-69.1165.4-166.600112.6Q771 R779Q771-E775 WeakPolarHBondContact CG-OE1 3.39Å; Q771-E775 WeakPolarHBondContact O-CG 3.37Å; Q771-E775 PolarHBondContact O-N 2.98Å; E775-R779 WeakPolarHBondContact O-CB 3.49Å; E775-R779 WeakPolarHBondContact O-CG 3.43Å; E775-R779 PolarHBondContact O-N 2.9Å; E775-R779 VanDerWaalsContact O-N 3.11Å; E775-R779 PolarHBondContact O-NE 3.19Å; E775-R779 VanDerWaalsContact O-NE 3.11Å
776S97.6Very high97.2Very high59 Ų5999.1 Ų99.141%0.41349%0.487SS..Hα-helixtrans-76.8-31.1176.7-162.90000113.8M772 K773 V774 A780M772-S776 VanDerWaalsContact O-CB 3.31Å; M772-S776 WeakPolarHBondContact O-CB 3.43Å; M772-S776 PolarHBondContact O-N 3.48Å; K773-S776 PolarHBondContact O-N 3.45Å; V774-S776 PolarHBondContact O-N 3Å; V774-S776 VanDerWaalsContact O-N 3.11Å; S776-A780 WeakPolarHBondContact O-CB 3.35Å; S776-A780 PolarHBondContact O-N 2.91Å
777L97.6Very high97.1Very high109 Ų109100.4 Ų100.457%0.57148%0.483SS*.Hα-helixtrans-76.5-37.8173.6-71.7169.3000111.1K773 V774 A780 L781K773-L777 HydrophobicContact CG-CD1 4.29Å; K773-L777 WeakPolarHBondContact O-CG 3.32Å; K773-L777 PolarHBondContact O-N 2.9Å; V774-L777 CarbonylContact O-C 3.59Å; V774-L777 PolarHBondContact O-N 3.5Å; L777-A780 PolarHBondContact O-N 3.24Å; L777-L781 VanDerWaalsContact O-CB 3.31Å; L777-L781 WeakPolarHBondContact O-CB 3.46Å; L777-L781 PolarHBondContact O-N 2.84Å
778E96.8Very high96.9Very high104 Ų104100 Ų10049%0.48648%0.481SS..Hα-helixtrans-61.1-46.9173.1-72.2173.9163.100111.3V774 A780 L781 Q782V774-E778 HydrophobicContact CG1-CG 4.19Å; V774-E778 WeakPolarHBondContact CG1-OE1 3.24Å; V774-E778 WeakPolarHBondContact O-CG 2.77Å; V774-E778 PolarHBondContact O-N 2.79Å; E778-A780 VanDerWaalsContact C-N 3.34Å; E778-A780 PolarHBondContact O-N 3.28Å; E778-L781 PolarHBondContact O-N 3.34Å; E778-Q782 WeakPolarHBondContact O-CB 3.42Å; E778-Q782 VanDerWaalsContact O-CG 3.27Å; E778-Q782 WeakPolarHBondContact O-CG 3.43Å; E778-Q782 PolarHBondContact O-N 3.28Å
779R96.8Very high96.8Very high134 Ų13497.8 Ų97.851%0.50648%0.477SS..Hα-helixtrans-61.9-39173.8-78.1-179.9-77.2103.8-4.3112.9E775 Q782 Q783E775-R779 WeakPolarHBondContact O-CB 3.49Å; E775-R779 WeakPolarHBondContact O-CG 3.43Å; E775-R779 PolarHBondContact O-N 2.9Å; E775-R779 VanDerWaalsContact O-N 3.11Å; E775-R779 PolarHBondContact O-NE 3.19Å; E775-R779 VanDerWaalsContact O-NE 3.11Å; R779-Q782 PolarHBondContact O-N 2.93Å; R779-Q783 PolarHBondContact O-N 3.47Å
780A97Very high96.6Very high48 Ų4896.7 Ų96.740%0.39747%0.474SS..Hα-helixtrans-68.6-35.6175.600000112.6S776 L777 E778 K784S776-A780 WeakPolarHBondContact O-CB 3.35Å; S776-A780 PolarHBondContact O-N 2.91Å; L777-A780 PolarHBondContact O-N 3.24Å; E778-A780 VanDerWaalsContact C-N 3.34Å; E778-A780 PolarHBondContact O-N 3.28Å; A780-K784 WeakPolarHBondContact O-CG 3.29Å; A780-K784 PolarHBondContact O-N 2.88Å
781L96.7Very high96.5Very high100 Ų10097.8 Ų97.852%0.52448%0.482SS..Hα-helixtrans-68.2-43.7174.1-172160000110.8L777 E778 Q783 K784 N785L777-L781 VanDerWaalsContact O-CB 3.31Å; L777-L781 WeakPolarHBondContact O-CB 3.46Å; L777-L781 PolarHBondContact O-N 2.84Å; E778-L781 PolarHBondContact O-N 3.34Å; L781-Q783 PolarHBondContact O-N 2.92Å; L781-K784 PolarHBondContact O-N 2.83Å; L781-K784 VanDerWaalsContact O-N 3.15Å; L781-N785 PolarHBondContact O-N 3.47Å
782Q96.6Very high96.3Very high110 Ų11096.2 Ų96.251%0.51448%0.479SS..Hα-helixtrans-58.1-46.3173.3-74167.8-2.800111.5E778 R779 K784 N785 Q786E778-Q782 WeakPolarHBondContact O-CB 3.42Å; E778-Q782 VanDerWaalsContact O-CG 3.27Å; E778-Q782 WeakPolarHBondContact O-CG 3.43Å; E778-Q782 PolarHBondContact O-N 3.28Å; R779-Q782 PolarHBondContact O-N 2.93Å; Q782-K784 VanDerWaalsContact C-N 3.35Å; Q782-K784 PolarHBondContact O-N 3.34Å; Q782-N785 PolarHBondContact O-N 3.46Å; Q782-Q786 WeakPolarHBondContact O-CG 3.46Å; Q782-Q786 PolarHBondContact O-N 3.47Å
783Q96.9Very high96.1Very high107 Ų10795.7 Ų95.750%0.547%0.473SS..Hα-helixtrans-59.4-44.7173.7-173.2-168.9-37.100111.3R779 L781 N785 Q786 E787R779-Q783 PolarHBondContact O-N 3.47Å; L781-Q783 PolarHBondContact O-N 2.92Å; Q783-N785 VanDerWaalsContact C-N 3.34Å; Q783-N785 PolarHBondContact O-N 2.87Å; Q783-Q786 WeakPolarHBondContact O-CB 3.19Å; Q783-Q786 PolarHBondContact O-N 3.3Å; Q783-E787 PolarHBondContact NE2-OE1 2.99Å; Q783-E787 WeakPolarHBondContact O-CG 3.45Å; Q783-E787 PolarHBondContact O-N 3.37Å
784K96.7Very high95.9Very high110 Ų11094.9 Ų94.948%0.47847%0.473SS..Hα-helixtrans-66.4-33.8178.3-73.8-69.2168.5-139.30113.2A780 L781 Q782 E787 I788A780-K784 WeakPolarHBondContact O-CG 3.29Å; A780-K784 PolarHBondContact O-N 2.88Å; L781-K784 PolarHBondContact O-N 2.83Å; L781-K784 VanDerWaalsContact O-N 3.15Å; Q782-K784 VanDerWaalsContact C-N 3.35Å; Q782-K784 PolarHBondContact O-N 3.34Å; K784-E787 IonicContact NZ-OE1 3.17Å; K784-E787 PolarHBondContact NZ-OE1 2.84Å; K784-E787 IonicContact NZ-OE2 2.75Å; K784-E787 PolarHBondContact NZ-OE2 3.22Å; K784-I788 WeakPolarHBondContact O-CB 2.88Å; K784-I788 WeakPolarHBondContact O-CD1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.36Å; K784-I788 PolarHBondContact O-N 2.89Å
785N96.4Very high95.5Very high82 Ų8294.9 Ų94.944%0.43948%0.476SS..Hα-helixtrans-66.7-40.2171.6-74.12.2000111.5L781 Q782 Q783 I788 E789L781-N785 PolarHBondContact O-N 3.47Å; Q782-N785 PolarHBondContact O-N 3.46Å; Q783-N785 VanDerWaalsContact C-N 3.34Å; Q783-N785 PolarHBondContact O-N 2.87Å; N785-I788 PolarHBondContact O-N 2.69Å; N785-E789 WeakPolarHBondContact O-CG 3.22Å; N785-E789 PolarHBondContact O-N 3.16Å
786Q96.8Very high95.3Very high118 Ų11895.4 Ų95.455%0.55148%0.481SS*.Hα-helixtrans-63.2-45.7174.3-72.1169.7-11.800111.8Q782 Q783 I788 E789 E790Q782-Q786 WeakPolarHBondContact O-CG 3.46Å; Q782-Q786 PolarHBondContact O-N 3.47Å; Q783-Q786 WeakPolarHBondContact O-CB 3.19Å; Q783-Q786 PolarHBondContact O-N 3.3Å; Q786-I788 VanDerWaalsContact C-N 3.32Å; Q786-I788 PolarHBondContact O-N 2.89Å; Q786-E789 PolarHBondContact O-N 3.32Å; Q786-E790 WeakPolarHBondContact O-CG 3.31Å; Q786-E790 PolarHBondContact O-N 3.36Å
787E95Very high95Very high62 Ų6297.5 Ų97.529%0.2948%0.484SS..Hα-helixtrans-59.5-40.5173.4-70.9175.2-145.800112Q783 K784 E790 L791Q783-E787 PolarHBondContact NE2-OE1 2.99Å; Q783-E787 WeakPolarHBondContact O-CG 3.45Å; Q783-E787 PolarHBondContact O-N 3.37Å; K784-E787 IonicContact NZ-OE1 3.17Å; K784-E787 PolarHBondContact NZ-OE1 2.84Å; K784-E787 IonicContact NZ-OE2 2.75Å; K784-E787 PolarHBondContact NZ-OE2 3.22Å; E787-E790 PolarHBondContact O-N 3.02Å; E787-L791 WeakPolarHBondContact O-CB 3.22Å; E787-L791 VanDerWaalsContact O-CG 3.24Å; E787-L791 WeakPolarHBondContact O-CG 3.4Å; E787-L791 PolarHBondContact O-N 3Å
788I94.3Very high94.6Very high98 Ų9896.7 Ų96.750%0.50348%0.48SS..Hα-helixtrans-65.3-45.9175-72.4163.8000110.6K784 N785 Q786 E790 L791 T792K784-I788 WeakPolarHBondContact O-CB 2.88Å; K784-I788 WeakPolarHBondContact O-CD1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.36Å; K784-I788 PolarHBondContact O-N 2.89Å; N785-I788 PolarHBondContact O-N 2.69Å; Q786-I788 VanDerWaalsContact C-N 3.32Å; Q786-I788 PolarHBondContact O-N 2.89Å; I788-E790 VanDerWaalsContact C-N 3.32Å; I788-E790 PolarHBondContact O-N 3.46Å; I788-L791 PolarHBondContact O-N 2.7Å; I788-T792 WeakPolarHBondContact O-CB 3.44Å; I788-T792 PolarHBondContact O-N 2.75Å; I788-T792 PolarHBondContact O-OG1 3.36Å; I788-T792 VanDerWaalsContact O-OG1 3.07Å
789E94.8Very high94.1Very high104 Ų10496.9 Ų96.949%0.48648%0.483SS..Hα-helixtrans-60.3-40.1176-79.3-174.4-14500112.4N785 Q786 T792 K793N785-E789 WeakPolarHBondContact O-CG 3.22Å; N785-E789 PolarHBondContact O-N 3.16Å; Q786-E789 PolarHBondContact O-N 3.32Å; E789-T792 PolarHBondContact O-N 2.85Å; E789-K793 WeakPolarHBondContact O-CB 3.44Å; E789-K793 WeakPolarHBondContact O-CD 3.35Å; E789-K793 WeakPolarHBondContact O-CG 3.49Å; E789-K793 PolarHBondContact O-N 3.36Å; E789-K793 IonicContact OE2-NZ 3.22Å; E789-K793 PolarHBondContact OE2-NZ 3.36Å
790E94.7Very high93.6Very high121 Ų12192.8 Ų92.857%0.56548%0.478SS*.Hα-helixtrans-67-43.6176-74.3-178.3175.800111.7Q786 E787 I788 T792 K793 I794Q786-E790 WeakPolarHBondContact O-CG 3.31Å; Q786-E790 PolarHBondContact O-N 3.36Å; E787-E790 PolarHBondContact O-N 3.02Å; I788-E790 VanDerWaalsContact C-N 3.32Å; I788-E790 PolarHBondContact O-N 3.46Å; E790-T792 PolarHBondContact O-N 3.44Å; E790-K793 PolarHBondContact O-N 3.05Å; E790-I794 VanDerWaalsContact O-CG1 3.28Å; E790-I794 WeakPolarHBondContact O-CG1 3.43Å; E790-I794 PolarHBondContact O-N 3.4Å
791L94.9Very high92.7Very high107 Ų10795.9 Ų95.956%0.5648%0.483SS*.Hα-helixtrans-62.4-41.1173.3-72.4169.2000111.9E787 I788 I794 C795E787-L791 WeakPolarHBondContact O-CB 3.22Å; E787-L791 VanDerWaalsContact O-CG 3.24Å; E787-L791 WeakPolarHBondContact O-CG 3.4Å; E787-L791 PolarHBondContact O-N 3Å; I788-L791 PolarHBondContact O-N 2.7Å; L791-I794 PolarHBondContact O-N 3.25Å; L791-C795 PolarHBondContact O-N 2.89Å; L791-C795 PolarHBondContact O-SG 2.72Å; L791-C795 VanDerWaalsContact O-SG 3.38Å
792T92.7Very high91.7Very high68 Ų6897.6 Ų97.642%0.41749%0.491SS..Hα-helixtrans-62.8-46.3173.5-63.90000111.1I788 E789 E790 I794 C795 D796I788-T792 WeakPolarHBondContact O-CB 3.44Å; I788-T792 PolarHBondContact O-N 2.75Å; I788-T792 PolarHBondContact O-OG1 3.36Å; I788-T792 VanDerWaalsContact O-OG1 3.07Å; E789-T792 PolarHBondContact O-N 2.85Å; E790-T792 PolarHBondContact O-N 3.44Å; T792-I794 VanDerWaalsContact C-N 3.28Å; T792-I794 PolarHBondContact O-N 2.93Å; T792-C795 PolarHBondContact O-N 2.87Å; T792-C795 VanDerWaalsContact O-N 3.12Å; T792-D796 WeakPolarHBondContact O-CB 3.33Å; T792-D796 VanDerWaalsContact O-CG 3.31Å; T792-D796 PolarHBondContact O-N 3.25Å
793K94.3Very high90.2Very high113 Ų11395.7 Ų95.749%0.49150%0.502SS..Hα-helixtrans-57.6-39.8174.8-71.2155.7-161.8161.50111.8E789 E790 E797E789-K793 WeakPolarHBondContact O-CB 3.44Å; E789-K793 WeakPolarHBondContact O-CD 3.35Å; E789-K793 WeakPolarHBondContact O-CG 3.49Å; E789-K793 PolarHBondContact O-N 3.36Å; E789-K793 IonicContact OE2-NZ 3.22Å; E789-K793 PolarHBondContact OE2-NZ 3.36Å; E790-K793 PolarHBondContact O-N 3.05Å; K793-E797 WeakPolarHBondContact O-CB 3.49Å; K793-E797 PolarHBondContact O-N 2.83Å
794I92.9Very high88.4Confident90 Ų9098.6 Ų98.646%0.46251%0.513SS..Hα-helixtrans-67.7-43.5175.2-67.8162.2000111.3E790 L791 T792 E797 L798E790-I794 VanDerWaalsContact O-CG1 3.28Å; E790-I794 WeakPolarHBondContact O-CG1 3.43Å; E790-I794 PolarHBondContact O-N 3.4Å; L791-I794 PolarHBondContact O-N 3.25Å; T792-I794 VanDerWaalsContact C-N 3.28Å; T792-I794 PolarHBondContact O-N 2.93Å; I794-E797 PolarHBondContact O-N 3.18Å; I794-L798 HydrophobicContact CG2-CD1 4.09Å; I794-L798 WeakPolarHBondContact O-CB 3.39Å; I794-L798 VanDerWaalsContact O-CG 3.29Å; I794-L798 WeakPolarHBondContact O-CG 3.29Å; I794-L798 PolarHBondContact O-N 2.76Å
795C89.8Confident86.3Confident69 Ų6997.3 Ų97.347%0.46652%0.523SS..Hα-helixtrans-61.6-45.2174.8-74.10000112L791 T792 L798 I799L791-C795 PolarHBondContact O-N 2.89Å; L791-C795 PolarHBondContact O-SG 2.72Å; L791-C795 VanDerWaalsContact O-SG 3.38Å; T792-C795 PolarHBondContact O-N 2.87Å; T792-C795 VanDerWaalsContact O-N 3.12Å; C795-L798 PolarHBondContact O-N 2.96Å; C795-I799 VanDerWaalsContact O-CG1 3.27Å; C795-I799 WeakPolarHBondContact O-CG1 3.38Å; C795-I799 PolarHBondContact O-N 2.99Å
796D92.6Very high83.8Confident90 Ų90104.8 Ų104.848%0.48156%0.563SS.*Hα-helixtrans-64.4-38.9176.9-69.4-24000111.4T792 I799 A800T792-D796 WeakPolarHBondContact O-CB 3.33Å; T792-D796 VanDerWaalsContact O-CG 3.31Å; T792-D796 PolarHBondContact O-N 3.25Å; D796-I799 PolarHBondContact O-N 3.5Å; D796-A800 WeakPolarHBondContact O-CB 3.47Å; D796-A800 PolarHBondContact O-N 3.27Å
797E89.9Confident83.1Confident104 Ų104104.2 Ų104.249%0.48656%0.563SS.*Hα-helixtrans-66.2-37.3174.8-157-156.516800112K793 I794 A800 K801K793-E797 WeakPolarHBondContact O-CB 3.49Å; K793-E797 PolarHBondContact O-N 2.83Å; I794-E797 PolarHBondContact O-N 3.18Å; E797-A800 PolarHBondContact O-N 2.94Å; E797-K801 WeakPolarHBondContact O-CD 3.48Å; E797-K801 VanDerWaalsContact O-CG 3.25Å; E797-K801 WeakPolarHBondContact O-CG 3.43Å; E797-K801 PolarHBondContact O-N 3.2Å; E797-K801 WeakPolarHBondContact OE1-CE 3.33Å; E797-K801 IonicContact OE1-NZ 2.7Å; E797-K801 PolarHBondContact OE1-NZ 3.44Å; E797-K801 IonicContact OE2-NZ 2.67Å; E797-K801 PolarHBondContact OE2-NZ 3.33Å
798L89.5Confident82.5Confident92 Ų92106.4 Ų106.448%0.48258%0.578SS.*Hα-helixtrans-67.6-43174-72.6168.3000111.7I794 C795 A800 K801 L802I794-L798 HydrophobicContact CG2-CD1 4.09Å; I794-L798 WeakPolarHBondContact O-CB 3.39Å; I794-L798 VanDerWaalsContact O-CG 3.29Å; I794-L798 WeakPolarHBondContact O-CG 3.29Å; I794-L798 PolarHBondContact O-N 2.76Å; C795-L798 PolarHBondContact O-N 2.96Å; L798-A800 VanDerWaalsContact C-N 3.34Å; L798-K801 PolarHBondContact O-N 3.49Å; L798-L802 WeakPolarHBondContact O-CG 3.37Å; L798-L802 PolarHBondContact O-N 2.78Å
799I86.6Confident81.9Confident108 Ų108106.8 Ų106.855%0.55458%0.582SS**Hα-helixtrans-61.6-43.4173.5-68.5163.3000110.2C795 D796 K801 L802 G803C795-I799 VanDerWaalsContact O-CG1 3.27Å; C795-I799 WeakPolarHBondContact O-CG1 3.38Å; C795-I799 PolarHBondContact O-N 2.99Å; D796-I799 PolarHBondContact O-N 3.5Å; I799-K801 PolarHBondContact O-N 2.91Å; I799-L802 PolarHBondContact O-N 2.79Å; I799-G803 PolarHBondContact O-N 2.74Å
800A85.6Confident81.1Confident48 Ų48107 Ų10740%0.39759%0.587SS.*Hα-helixtrans-72.9-8.4177.400000114.7D796 E797 L798 K804D796-A800 WeakPolarHBondContact O-CB 3.47Å; D796-A800 PolarHBondContact O-N 3.27Å; E797-A800 PolarHBondContact O-N 2.94Å; L798-A800 VanDerWaalsContact C-N 3.34Å; A800-K804 WeakPolarHBondContact O-CD 3.41Å; A800-K804 WeakPolarHBondContact O-CE 3.3Å; A800-K804 PolarHBondContact O-NZ 3.17Å
801K80.1Confident80.2Confident113 Ų113106.1 Ų106.149%0.49159%0.589SS.*Hα-helixtrans-91.8-38167-75.7164.1-175165.80111.6E797 L798 I799E797-K801 WeakPolarHBondContact O-CD 3.48Å; E797-K801 VanDerWaalsContact O-CG 3.25Å; E797-K801 WeakPolarHBondContact O-CG 3.43Å; E797-K801 PolarHBondContact O-N 3.2Å; E797-K801 WeakPolarHBondContact OE1-CE 3.33Å; E797-K801 IonicContact OE1-NZ 2.7Å; E797-K801 PolarHBondContact OE1-NZ 3.44Å; E797-K801 IonicContact OE2-NZ 2.67Å; E797-K801 PolarHBondContact OE2-NZ 3.33Å; L798-K801 PolarHBondContact O-N 3.49Å; I799-K801 PolarHBondContact O-N 2.91Å
802L74.6Confident79.3Confident135 Ų135106.1 Ų106.171%0.70759%0.591SS**Hα-helixtrans-71-42.1176.2-73.1165.8000112.4L798 I799 K804 A805L798-L802 WeakPolarHBondContact O-CG 3.37Å; L798-L802 PolarHBondContact O-N 2.78Å; I799-L802 PolarHBondContact O-N 2.79Å; L802-K804 PolarHBondContact O-N 2.58Å; L802-A805 PolarHBondContact O-N 2.71Å
803G65.1Low78.3Confident71 Ų71108.8 Ų108.873%0.73260%0.603SS**THydrogen-bonded Turntrans-71.622.2176.200000115.4I799I799-G803 PolarHBondContact O-N 2.74Å
804K59.2Low77.1Confident168 Ų168108.5 Ų108.573%0.7361%0.612SS**THydrogen-bonded Turntrans-129.718.9174.2-65.7177.7-174.7155.50111.8A800 L802A800-K804 WeakPolarHBondContact O-CD 3.41Å; A800-K804 WeakPolarHBondContact O-CE 3.3Å; A800-K804 PolarHBondContact O-NZ 3.17Å; L802-K804 PolarHBondContact O-N 2.58Å
805A51.9Low75.8Confident83 Ų83110 Ų11069%0.68662%0.624SS**  trans-118.555-179.900000111.1L802L802-A805 PolarHBondContact O-N 2.71Å
806D44.3Very low74.5Confident239 Ų239113.7 Ų113.7100%1.27864%0.639SS**  trans-144.90165.9-108.6-27000107.4

Retrieved 806 of 806 residues in 1359 ms (Link to these results)