A0A087YA73_POEFO Loading...

Protein phosphatase 1 regulatory subunit 26 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YA73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,119 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low51.5Low224 Ų224145.4 Ų145.4100%1.10382%0.822SS**  01620-68.1-177-76.100108.5
2Y49.3Very low51.1Low218 Ų218144 Ų14486%0.85582%0.82SS**  trans5368.7172.7-68.5-75.7000118
3L54.4Low50Low151 Ų151147.5 Ų147.579%0.79183%0.825SS**  trans-159.845.9139.9-110.5170.2000110.4
4M53.5Low49.5Very low171 Ų171145.2 Ų145.284%0.84282%0.816SS**  trans-124.624.5-169.5-81.8-77.7105.700113.6
5N56.3Low48.8Very low160 Ų160144.5 Ų144.586%0.85680%0.804SS**  trans-145.266.8176.8-81.2-49.2000110.9
6V52.6Low48.5Very low117 Ų117149.9 Ų149.971%0.70981%0.808SS**  trans-111119.7161.6-178.50000106.7
7P56.6Low48Very low104 Ų104152.2 Ų152.268%0.67580%0.803SS**  trans-61.5138.2179.4-23.534.1000111.3V9P7-V9 PolarHBondContact O-N 2.75Å; P7-V9 VanDerWaalsContact O-N 3.11Å
8P57.6Low47.5Very low128 Ų128157.1 Ų157.183%0.83181%0.809SS**  trans-64.9114.8172.726.6-32.6000109.2A10P8-A10 PolarHBondContact O-N 3.34Å; P8-A10 VanDerWaalsContact O-N 3.17Å
9V47.2Very low47.1Very low141 Ų141154.9 Ų154.986%0.85581%0.807SS**  trans-60.8118.5174.8176.50000108.5P7 A11P7-V9 PolarHBondContact O-N 2.75Å; P7-V9 VanDerWaalsContact O-N 3.11Å; V9-A11 PolarHBondContact O-N 3.39Å; V9-A11 VanDerWaalsContact O-N 3.11Å
10A48.6Very low46.8Very low89 Ų89151 Ų15174%0.73681%0.806SS**  trans-67.9110.7-177.700000110.3P8 T12P8-A10 PolarHBondContact O-N 3.34Å; P8-A10 VanDerWaalsContact O-N 3.17Å; A10-T12 PolarHBondContact O-N 3.17Å
11A44.2Very low46.5Very low96 Ų96150.5 Ų150.579%0.79381%0.809SS**PPolyproline II helixtrans-63.7117167.600000108.8V9 E13V9-A11 PolarHBondContact O-N 3.39Å; V9-A11 VanDerWaalsContact O-N 3.11Å; A11-E13 PolarHBondContact O-N 2.7Å
12T47.2Very low46.7Very low129 Ų129146.3 Ų146.379%0.79180%0.798SS**PPolyproline II helixtrans-68.1120.217649.90000109.7A10 T14A10-T12 PolarHBondContact O-N 3.17Å; T12-T14 PolarHBondContact O-N 2.99Å
13E37.4Very low46Very low190 Ų190139.8 Ų139.889%0.88880%0.797SS**PPolyproline II helixtrans-57.9124.4174.1-63.7-174.4153.300110.4A11 E15A11-E13 PolarHBondContact O-N 2.7Å; E13-E15 PolarHBondContact O-N 3.32Å; E13-E15 VanDerWaalsContact O-N 3.11Å
14T41.8Very low45.1Very low115 Ų115135.4 Ų135.471%0.70679%0.788SS**  trans-75.698.317038.90000109.2T12 W16T12-T14 PolarHBondContact O-N 2.99Å; T14-W16 PolarHBondContact O-N 3.11Å
15E39.9Very low44Very low135 Ų135138.7 Ų138.763%0.63179%0.793SS**  trans-59.398.9173.5-172.4-155120.300110.1E13 R17E13-E15 PolarHBondContact O-N 3.32Å; E13-E15 VanDerWaalsContact O-N 3.11Å; E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.11Å; E15-R17 VanDerWaalsContact OE1-CD 3.3Å; E15-R17 WeakPolarHBondContact OE1-CD 3.3Å; E15-R17 IonicContact OE1-CZ 3.65Å; E15-R17 IonicContact OE1-NE 3.86Å; E15-R17 IonicContact OE1-NH1 2.7Å; E15-R17 PolarHBondContact OE1-NH1 3.27Å; E15-R17 IonicContact OE2-NH1 3.39Å; E15-R17 PolarHBondContact OE2-NH1 3.11Å
16W43.3Very low42.8Very low230 Ų230136 Ų13687%0.87179%0.787SS**  trans-67.594.3165.3-77.390.5000109.2T14 R18T14-W16 PolarHBondContact O-N 3.11Å; W16-R18 PolarHBondContact O-N 3.21Å
17R40.8Very low42.2Very low190 Ų190138.2 Ų138.272%0.71779%0.794SS**  trans-44.3109.2170.7-88.3-74.5-154.7-103.50.8110.1E15 C19E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.11Å; E15-R17 VanDerWaalsContact OE1-CD 3.3Å; E15-R17 WeakPolarHBondContact OE1-CD 3.3Å; E15-R17 IonicContact OE1-CZ 3.65Å; E15-R17 IonicContact OE1-NE 3.86Å; E15-R17 IonicContact OE1-NH1 2.7Å; E15-R17 PolarHBondContact OE1-NH1 3.27Å; E15-R17 IonicContact OE2-NH1 3.39Å; E15-R17 PolarHBondContact OE2-NH1 3.11Å; R17-C19 PolarHBondContact O-N 2.88Å
18R38.2Very low41.3Very low240 Ų240139 Ų13991%0.90680%0.799SS**  trans-74.491.3179.3-172.1-177.8-64.6115.21110W16W16-R18 PolarHBondContact O-N 3.21Å
19C39.7Very low40.1Very low115 Ų115138.8 Ų138.878%0.77780%0.795SS**PPolyproline II helixtrans-57.3156.9167.2-73.10000111.5R17R17-C19 PolarHBondContact O-N 2.88Å
20G42.3Very low39.4Very low76 Ų76137.3 Ų137.378%0.78479%0.79SS**PPolyproline II helixtrans-63.6162.8-16200000116.7
21T39.2Very low38.5Very low142 Ų142142.3 Ų142.387%0.87180%0.795SS**PPolyproline II helixtrans-66.3150-178.937.20000114.1
22P51.6Low37.8Very low135 Ų135144.3 Ų144.388%0.87779%0.793SS**PPolyproline II helixtrans-84.2149.6-173.334.3-36.8000114.3
23G33.3Very low37.2Very low81 Ų81145.5 Ų145.584%0.83579%0.794SS**  trans179.8139.4162.800000110.3
24G35.3Very low37.3Very low59 Ų59141.8 Ų141.861%0.60879%0.789SS**  cis163.7146.8-6.300000110.9
25Y31.1Very low36.8Very low241 Ų241144.3 Ų144.395%0.94580%0.798SS**  trans66.6150.6-178.6-41.9-75.9000114.2
26S31.3Very low37.2Very low104 Ų104144.5 Ų144.573%0.72781%0.809SS**  cis-169.5146.5-21460000108.6
27L40Very low37.2Very low163 Ų163142.1 Ų142.185%0.85381%0.808SS**  trans-65.4143.2171-82.688.5000112.2
28P37Very low37.1Very low119 Ų119141.4 Ų141.477%0.77382%0.817SS**  trans-98.2163.7136.935.7-29.5000111.2
29V33Very low37Very low125 Ų125134.8 Ų134.876%0.75881%0.808SS**  trans-105.1138.6-177.81680000110.2
30C32.4Very low37.2Very low109 Ų109135.5 Ų135.574%0.73681%0.809SS**  trans48.8128166.3-61.70000119.9
31F29Very low36.8Very low194 Ų194144.4 Ų144.485%0.85182%0.818SS**  trans-149.5121.1133-112.2-75.4000110.5
32N29.5Very low37.2Very low139 Ų139141 Ų14174%0.74381%0.811SS**  trans22.3142.5159.7-56.12.9000122.8
33D35.5Very low36.9Very low153 Ų153140.7 Ų140.782%0.81881%0.807SS**SBendtrans-59.1165.9151.2-65.3-72000113.2
34S40.1Very low38.2Very low112 Ų112142.9 Ų142.978%0.78381%0.807SS**  trans75.1105-179.8-43.50000115.2
35D31.2Very low39.7Very low168 Ų168144.6 Ų144.690%0.89880%0.801SS**  -153.7131.5114.5-110.2-25.2000111.8E37D35-E37 PolarHBondContact O-N 2.89Å
36T47.3Very low42.1Very low139 Ų139136.5 Ų136.585%0.85378%0.78SS**  trans-91.581.7-178.9-60.10000109.9
37E44.3Very low44.2Very low181 Ų181138 Ų13885%0.84678%0.78SS**  trans-166.9118.1161.8-116.5170.3-131.800112.9D35D35-E37 PolarHBondContact O-N 2.89Å
38L38.1Very low45.8Very low174 Ų174138 Ų13891%0.91177%0.773SS**  175.6113.2122.8-95.3177000111
39S35.1Very low47.9Very low102 Ų102135.7 Ų135.771%0.71376%0.756SS**  trans-98154.7179.8-164.70000112.6
40T43.8Very low50.3Low130 Ų130134.7 Ų134.780%0.79874%0.744SS**  trans56.9100.2159.650.30000120.1
41R35.7Very low52.8Low262 Ų262135.5 Ų135.599%0.98974%0.738SS**  -162.4115.1129.2-152.8175.2-174.7-176.31.7112
42G45.9Very low55.5Low70 Ų70130.9 Ų130.972%0.72272%0.721SS**SBendcis175.8124-11.400000113.7
43T46.4Very low58.2Low129 Ų129127.2 Ų127.279%0.79170%0.701SS**  trans-147.6139.5156.725.30000106.9I45T43-I45 PolarHBondContact O-N 2.98Å
44P60.1Low60.1Low128 Ų128126.3 Ų126.383%0.83169%0.692SS**PPolyproline II helixtrans-66.4119.6178.627.3-33000109.8S46P44-S46 PolarHBondContact O-N 3.48Å
45I67.7Low62Low95 Ų95124.7 Ų124.749%0.48768%0.68SS.*PPolyproline II helixtrans-63.1128.6172.6-64.9178.1000107.5T43 V49 Q50 I53T43-I45 PolarHBondContact O-N 2.98Å; I45-V49 HydrophobicContact CG2-CB 3.66Å; I45-V49 HydrophobicContact CG2-CG1 3.64Å; I45-Q50 HydrophobicContact CG2-CB 4.22Å; I45-I53 HydrophobicContact CG2-CD1 4.48Å
46S80.2Confident64.1Low71 Ų71121.4 Ų121.450%0.49766%0.662SS.*PPolyproline II helixtrans-60.9140.4179.31750000110.5P44 K48 V49 Q50P44-S46 PolarHBondContact O-N 3.48Å; S46-K48 PolarHBondContact O-N 3.11Å; S46-V49 WeakPolarHBondContact O-CA 3.3Å; S46-V49 PolarHBondContact O-N 2.99Å; S46-Q50 PolarHBondContact O-N 3.48Å
47N76.2Confident65.3Low135 Ų135123.3 Ų123.372%0.72265%0.654SS**Hα-helixtrans-51.1-29.9177.8-88.18.9000113.3M51N47-M51 WeakPolarHBondContact O-CB 3.48Å; N47-M51 PolarHBondContact O-N 3.26Å
48K73.4Confident66.2Low162 Ų162118.7 Ų118.770%0.70464%0.642SS**Hα-helixtrans-65.8-43173.2-67.2-169.1176.1-170.80112.3S46 I52S46-K48 PolarHBondContact O-N 3.11Å; K48-I52 WeakPolarHBondContact O-CB 3.31Å; K48-I52 WeakPolarHBondContact O-CD1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.17Å; K48-I52 PolarHBondContact O-N 2.89Å
49V81.4Confident67Low71 Ų71114.2 Ų114.243%0.4363%0.625SS.*Hα-helixtrans-72.1-36.9178-1800000110.6I45 S46 I52 I53I45-V49 HydrophobicContact CG2-CB 3.66Å; I45-V49 HydrophobicContact CG2-CG1 3.64Å; S46-V49 WeakPolarHBondContact O-CA 3.3Å; S46-V49 PolarHBondContact O-N 2.99Å; V49-I52 PolarHBondContact O-N 3.05Å; V49-I53 HydrophobicContact CG1-CD1 4Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.25Å; V49-I53 PolarHBondContact O-N 2.85Å
50Q83.8Confident67.8Low105 Ų105116.7 Ų116.749%0.49163%0.625SS.*Hα-helixtrans-66.8-42.6174.6-172.6155-2200111.8I45 S46 I52 I53 E54I45-Q50 HydrophobicContact CG2-CB 4.22Å; S46-Q50 PolarHBondContact O-N 3.48Å; Q50-I52 VanDerWaalsContact C-N 3.31Å; Q50-I52 PolarHBondContact O-N 3.16Å; Q50-I53 PolarHBondContact O-N 3.42Å; Q50-E54 VanDerWaalsContact O-CB 3.29Å; Q50-E54 WeakPolarHBondContact O-CB 3.39Å; Q50-E54 PolarHBondContact O-N 3.33Å
51M84.5Confident68.1Low125 Ų125115.2 Ų115.262%0.61662%0.62SS**Hα-helixtrans-60.9-36.8171.6-175.5-167.1-57.700112.4N47 S55N47-M51 WeakPolarHBondContact O-CB 3.48Å; N47-M51 PolarHBondContact O-N 3.26Å; M51-S55 WeakPolarHBondContact O-CB 3.49Å; M51-S55 PolarHBondContact O-N 2.81Å
52I86.3Confident68.6Low98 Ų98107.6 Ų107.650%0.50361%0.607SS.*Hα-helixtrans-66.4-45173-72.7162.1000111K48 V49 Q50 E54 S55 L56K48-I52 WeakPolarHBondContact O-CB 3.31Å; K48-I52 WeakPolarHBondContact O-CD1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.17Å; K48-I52 PolarHBondContact O-N 2.89Å; V49-I52 PolarHBondContact O-N 3.05Å; Q50-I52 VanDerWaalsContact C-N 3.31Å; Q50-I52 PolarHBondContact O-N 3.16Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 PolarHBondContact O-N 2.71Å; I52-S55 PolarHBondContact O-N 3.27Å; I52-L56 HydrophobicContact CG2-CD1 3.73Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 VanDerWaalsContact O-CB 3.32Å; I52-L56 WeakPolarHBondContact O-CB 3.1Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.26Å
53I84.4Confident68.6Low62 Ų62112.3 Ų112.332%0.31862%0.615SS.*Hα-helixtrans-62.1-40.8176.5-70163.1000111.1I45 V49 Q50 R57I45-I53 HydrophobicContact CG2-CD1 4.48Å; V49-I53 HydrophobicContact CG1-CD1 4Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.25Å; V49-I53 PolarHBondContact O-N 2.85Å; Q50-I53 PolarHBondContact O-N 3.42Å; I53-R57 WeakPolarHBondContact O-CB 3.22Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.32Å; I53-R57 PolarHBondContact O-N 3.17Å
54E76.5Confident68.7Low133 Ų133114.5 Ų114.562%0.62162%0.616SS**Hα-helixtrans-69-42.1178.4-167.1160.4-131.100111.5Q50 I52 R57 S58Q50-E54 VanDerWaalsContact O-CB 3.29Å; Q50-E54 WeakPolarHBondContact O-CB 3.39Å; Q50-E54 PolarHBondContact O-N 3.33Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 PolarHBondContact O-N 2.71Å; E54-R57 PolarHBondContact O-N 2.9Å; E54-S58 VanDerWaalsContact O-CB 3.28Å; E54-S58 WeakPolarHBondContact O-CB 3.28Å; E54-S58 PolarHBondContact O-N 3.37Å
55S80.5Confident67.8Low78 Ų78117.6 Ų117.655%0.54562%0.622SS.*Hα-helixtrans-65.8-38173.5-169.30000112.8M51 I52 S58 S59M51-S55 WeakPolarHBondContact O-CB 3.49Å; M51-S55 PolarHBondContact O-N 2.81Å; I52-S55 PolarHBondContact O-N 3.27Å; S55-S58 PolarHBondContact O-N 3.38Å; S55-S59 PolarHBondContact O-N 2.83Å; S55-S59 PolarHBondContact O-OG 2.81Å; S55-S59 VanDerWaalsContact O-OG 3.05Å
56L75.6Confident66.4Low99 Ų99116 Ų11652%0.51863%0.628SS.*Hα-helixtrans-69.6-40176.8-74.8169.5000111.8I52 S59 Q60I52-L56 HydrophobicContact CG2-CD1 3.73Å; I52-L56 HydrophobicContact CG2-CG 4.32Å; I52-L56 VanDerWaalsContact O-CB 3.32Å; I52-L56 WeakPolarHBondContact O-CB 3.1Å; I52-L56 WeakPolarHBondContact O-CG 3.49Å; I52-L56 PolarHBondContact O-N 3.26Å; L56-S59 WeakPolarHBondContact CA-OG 3.33Å; L56-S59 PolarHBondContact O-N 3.31Å; L56-S59 PolarHBondContact O-OG 2.88Å; L56-Q60 WeakPolarHBondContact O-CG 3.44Å; L56-Q60 PolarHBondContact O-N 3.44Å
57R71.8Confident64.4Low179 Ų179120.3 Ų120.368%0.67565%0.646SS**Hα-helixtrans-65.3-42.4172.5-75.2173.2174-164.6-5.3111.7I53 E54 S59 Q60 S61I53-R57 WeakPolarHBondContact O-CB 3.22Å; I53-R57 VanDerWaalsContact O-CG 3.27Å; I53-R57 WeakPolarHBondContact O-CG 3.32Å; I53-R57 PolarHBondContact O-N 3.17Å; E54-R57 PolarHBondContact O-N 2.9Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.98Å; R57-Q60 PolarHBondContact O-N 3.25Å; R57-S61 WeakPolarHBondContact O-CB 3.44Å; R57-S61 PolarHBondContact O-N 2.89Å
58S64Low63.1Low85 Ų85122.8 Ų122.859%0.59465%0.653SS**Hα-helixtrans-61-38.1175.5-169.20000112.1E54 S55 S61E54-S58 VanDerWaalsContact O-CB 3.28Å; E54-S58 WeakPolarHBondContact O-CB 3.28Å; E54-S58 PolarHBondContact O-N 3.37Å; S55-S58 PolarHBondContact O-N 3.38Å; S58-S61 PolarHBondContact O-N 3.45Å
59S54.4Low61.6Low79 Ų79122.5 Ų122.555%0.55266%0.658SS**Hα-helixtrans-78.9-18.6176.558.10000114.7S55 L56 R57S55-S59 PolarHBondContact O-N 2.83Å; S55-S59 PolarHBondContact O-OG 2.81Å; S55-S59 VanDerWaalsContact O-OG 3.05Å; L56-S59 WeakPolarHBondContact CA-OG 3.33Å; L56-S59 PolarHBondContact O-N 3.31Å; L56-S59 PolarHBondContact O-OG 2.88Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.98Å
60Q52Low59.7Low154 Ų154127 Ų12772%0.7267%0.674SS**Hα-helixtrans-82.7-22.8168.4-74.3-173.2-41.200112.4L56 R57 S62L56-Q60 WeakPolarHBondContact O-CG 3.44Å; L56-Q60 PolarHBondContact O-N 3.44Å; R57-Q60 PolarHBondContact O-N 3.25Å; Q60-S62 PolarHBondContact O-N 2.93Å; Q60-S62 VanDerWaalsContact O-N 3.11Å
61S48.4Very low57.4Low100 Ų100126.3 Ų126.370%0.69969%0.686SS**THydrogen-bonded Turntrans-77.717.3179.3-168.50000114.9R57 S58R57-S61 WeakPolarHBondContact O-CB 3.44Å; R57-S61 PolarHBondContact O-N 2.89Å; S58-S61 PolarHBondContact O-N 3.45Å
62S46.4Very low54.9Low102 Ų102126.7 Ų126.771%0.71369%0.691SS**THydrogen-bonded Turntrans-129.713-175.8-1700000113.8Q60Q60-S62 PolarHBondContact O-N 2.93Å; Q60-S62 VanDerWaalsContact O-N 3.11Å
63L46.4Very low52.4Low168 Ų168130.4 Ų130.488%0.8871%0.708SS**SBendtrans-135.849.1176.5-161.776.9000111
64E49.4Very low50.1Low176 Ų176135.8 Ų135.882%0.82274%0.737SS**  trans-135.383.6174.1-167.9171.6-179.200108.9
65M39.9Very low48.1Very low193 Ų193135.1 Ų135.195%0.95175%0.747SS**  trans-150.3110.1174.4-66.9-75.9-64.300106.1
66G39.3Very low45.7Very low60 Ų60134.6 Ų134.662%0.61975%0.754SS**  cis171.897.7-6.800000111.1E68G66-E68 PolarHBondContact O-N 3.47Å; G66-E68 VanDerWaalsContact O-N 3.15Å
67D38.7Very low43.5Very low163 Ų163139.2 Ų139.287%0.87277%0.773SS**  trans-82.492.1-174.8-59.4-17.6000111.2I69D67-I69 PolarHBondContact O-N 2.97Å
68E48.3Very low41.4Very low186 Ų186136.2 Ų136.287%0.86977%0.77SS**  trans-81.976-175.754.3-174.2-170.600113.8G66 E70G66-E68 PolarHBondContact O-N 3.47Å; G66-E68 VanDerWaalsContact O-N 3.15Å; E68-E70 PolarHBondContact O-N 3.36Å
69I41.9Very low39.7Very low157 Ų157142.2 Ų142.281%0.80578%0.78SS**  trans-64.6100.7171.5-56176.4000110.1D67 A71D67-I69 PolarHBondContact O-N 2.97Å; I69-A71 PolarHBondContact O-N 3.4Å
70E41.3Very low38.3Very low164 Ų164146.2 Ų146.277%0.76679%0.789SS**  trans-62.5100.2177.2-85.6-146.1144.300112.7E68 N72E68-E70 PolarHBondContact O-N 3.36Å; E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 3.33Å; E70-N72 PolarHBondContact OE2-ND2 2.83Å
71A34.8Very low37.4Very low91 Ų91144.2 Ų144.275%0.75279%0.788SS**  trans-75.275.6175.900000112.6I69 M73I69-A71 PolarHBondContact O-N 3.4Å; A71-M73 PolarHBondContact O-N 3.25Å
72N32.9Very low36.4Very low134 Ų134147.5 Ų147.572%0.71779%0.792SS**  trans-7167.2175.5-100.3-63.9000113.3E70E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 3.33Å; E70-N72 PolarHBondContact OE2-ND2 2.83Å
73M34.4Very low35.6Very low175 Ų175149 Ų14986%0.86280%0.797SS**  trans-92.8108.6173.7-90-75.2178.200111.6A71 S75A71-M73 PolarHBondContact O-N 3.25Å; M73-S75 PolarHBondContact O-N 3.2Å
74L34.3Very low34.7Very low175 Ų175146.5 Ų146.592%0.91679%0.792SS**  trans-71.985.3178.4-73.8167.6000112.9G76L74-G76 PolarHBondContact O-N 3.39Å
75S35.1Very low33.8Very low119 Ų119147.7 Ų147.783%0.83279%0.794SS**  trans-81.194.5168.364.70000111.7M73M73-S75 PolarHBondContact O-N 3.2Å
76G29.8Very low33.3Very low67 Ų67143 Ų14369%0.69179%0.786SS**  trans-82.2161.7169.100000113.4L74L74-G76 PolarHBondContact O-N 3.39Å
77Q30.7Very low32.7Very low197 Ų197144.4 Ų144.492%0.92179%0.792SS**  trans69.7141.7176.3-75.5-177.4-18.700116.4
78D27.6Very low32.3Very low116 Ų116143.8 Ų143.862%0.6279%0.794SS**  cis-153.7160.8-10.4-16716.2000110.7
79R26.8Very low31.5Very low211 Ų211138.4 Ų138.480%0.79679%0.788SS**  trans73.597159.1-49.5-145.3171-139.6-12.7123.5
80H26.9Very low30.9Very low162 Ų162137.6 Ų137.675%0.7579%0.785SS**  55.494.998.5-176.9-64.4000119.9
81T31.3Very low30.5Very low113 Ų113139.2 Ų139.269%0.69379%0.786SS**  -173.1123.8117.423.50000108.2
82Q29.1Very low30.5Very low169 Ų169141 Ų14179%0.7979%0.787SS**  79.3103.369.7-167.2-167.72200114.4
83V29.8Very low30.2Very low133 Ų133138.1 Ų138.181%0.80679%0.79SS**  178.4144.3123.2150.80000109.1
84C25.8Very low30Very low115 Ų115134.7 Ų134.778%0.77779%0.789SS**  trans-111.3152.7-170.3-41.80000113.7
85K31.8Very low29.8Very low201 Ų201136 Ų13687%0.87479%0.787SS**  trans-174.7128.4138.2-95145.6-174.6-178.60107.9
86A28.2Very low29.5Very low94 Ų94138 Ų13878%0.77779%0.787SS**  74.7128.251.200000112.4
87A27.6Very low29.5Very low90 Ų90143.9 Ų143.974%0.74479%0.794SS**  cis-167.1-175.8-0.500000112.7
88V31.1Very low29.2Very low151 Ų151139.6 Ų139.692%0.91578%0.781SS**  trans85.3121159.9-166.70000117.9
89G30.7Very low29.3Very low72 Ų72143.6 Ų143.674%0.74279%0.793SS**  trans174.3121168.300000108.3
90N29.8Very low29.2Very low140 Ų140144.8 Ų144.875%0.74980%0.798SS**  trans-125.2143.5-153.2-129.715.6000115
91Y32.3Very low29.8Very low198 Ų198142.1 Ų142.178%0.77680%0.795SS**  trans79136146-90.4-137.2000122.6
92V34.5Very low29.6Very low128 Ų128142.6 Ų142.678%0.77680%0.798SS**  trans62.6126.5144.1177.70000118.4
93G26.7Very low29.4Very low75 Ų75143.5 Ų143.577%0.77380%0.802SS**  cis110.382.2-8.500000116.1
94A29.2Very low29.1Very low102 Ų102142 Ų14284%0.84380%0.797SS**  trans-152152.6162.400000111.5
95K31.8Very low30Very low202 Ų202141.5 Ų141.588%0.87879%0.793SS**  trans-125.1156.4167.8-65.2-168.5178.7-168.20109.1
96L28.3Very low29.7Very low161 Ų161139.6 Ų139.684%0.84379%0.786SS**  trans165.9125.8147.2-86.6150.7000105.6
97K29.1Very low29.5Very low192 Ų192140.3 Ų140.384%0.83578%0.781SS**  cis80.3120.133.5-156.5-166.6-173.7-177.60113.2
98T25.6Very low29.3Very low106 Ų106142.7 Ų142.765%0.6578%0.776SS**  trans118.1122.6145.4-45.80000118.5
99K29.8Very low29.1Very low200 Ų200143.6 Ų143.687%0.8777%0.768SS**  trans80.4131.6149.9-83172.6-170.1-177.60124
100R24.1Very low28.9Very low237 Ų237144.8 Ų144.889%0.89477%0.765SS**  trans-66.7173.8149.5-108.1-170.9-175.8-171.14.1110.9
101P40.1Very low28.8Very low105 Ų105143.5 Ų143.568%0.68277%0.767SS**  cis-146.4-173.131.946-26.4000117.6
102T26.2Very low28.5Very low123 Ų123139.3 Ų139.376%0.75576%0.762SS**  trans43.2117.5146.4-550000120.7
103E25.1Very low28.2Very low188 Ų188138.7 Ų138.788%0.87976%0.759SS**  -166.1175.5108-137.7141.1-127.300112.2
104S22.6Very low28.4Very low102 Ų102141.1 Ų141.171%0.71375%0.754SS**  trans-143.7-178.3173.371.30000107.8
105P46.1Very low28.7Very low104 Ų104143.6 Ų143.668%0.67575%0.748SS**  cis-138.8-1650.833-8.6000114.7
106H23.8Very low28.7Very low161 Ų161140.2 Ų140.275%0.74574%0.74SS**  trans86.5168.9138.1-142-84.2000120.8
107V25.6Very low29.1Very low110 Ų110137.3 Ų137.367%0.66773%0.733SS**  trans72.587.8162.9-104.30000121.3
108H23.3Very low30Very low139 Ų139133.6 Ų133.664%0.64473%0.731SS**  93.1155.3109.1-100.7-116.9000125.2
109F26.2Very low30.6Very low170 Ų170136.8 Ų136.875%0.74674%0.744SS**  trans75.983.2152.6-68.6-53.6000121.1
110S27Very low31.4Very low97 Ų97132.9 Ų132.968%0.67874%0.742SS**  25.1130.2106.4-36.10000119.8
111S27.2Very low32.8Very low113 Ų113130 Ų13079%0.7975%0.745SS**  trans-164.182.5135.9-80.60000113.6
112T25.4Very low33.4Very low110 Ų110128.2 Ų128.268%0.67574%0.735SS**  43.6132.6117.258.90000121.9
113T28.6Very low35.1Very low116 Ų116128.6 Ų128.671%0.71273%0.732SS**  trans69.6141.5138.959.50000118.7
114N31.2Very low37.4Very low125 Ų125124.5 Ų124.567%0.66872%0.716SS**  cis-161162.410-116.32.3000112.4
115H35.5Very low39.9Very low154 Ų154124.2 Ų124.271%0.71371%0.714SS**  trans22.1141.2139-73.5-82.2000120.3
116D32.3Very low41.7Very low131 Ų131123.2 Ų123.270%0.70171%0.706SS**  cis-164.5170.124.8-110.4-31.9000112.2
117S36.9Very low44.9Very low101 Ų101120.2 Ų120.271%0.70670%0.695SS**  trans49.4110160.657.70000118.7
118S47.5Very low47.9Very low114 Ų114123.2 Ų123.280%0.79770%0.695SS**  71.198.969.8-60.10000114.6
119D39Very low51.2Low173 Ų173118.3 Ų118.393%0.92568%0.682SS**  trans-161.459.5155.3-103.7-19.1000108.9
120S45.7Very low54.3Low117 Ų117114.2 Ų114.282%0.81867%0.667SS**  trans-107.3100.7171.5-73.20000109.3S122S120-S122 PolarHBondContact O-N 3.32Å
121D52.7Low57.4Low178 Ų178115 Ų11595%0.95266%0.659SS**  trans-77.468.6-179.1-15622.9000110
122S54.2Low60.4Low67 Ų67115.8 Ų115.847%0.46965%0.651SS.*  trans-97.4129.6-175.4-164.40000110.9S120 D124S120-S122 PolarHBondContact O-N 3.32Å; S122-D124 WeakPolarHBondContact CB-OD2 3.21Å; S122-D124 PolarHBondContact O-N 2.89Å; S122-D124 VanDerWaalsContact OG-CG 3.3Å; S122-D124 PolarHBondContact OG-OD2 3.45Å
123D61.6Low63.5Low131 Ų131113 Ų11370%0.70164%0.639SS**THydrogen-bonded Turntrans-69.55.2-175.3-82.5-52.8000114.3S125 V126D123-S125 PolarHBondContact O-N 3.03Å; D123-V126 PolarHBondContact O-N 3.04Å
124D72.5Confident66.5Low102 Ų102111.9 Ų111.955%0.54563%0.628SS.*Hα-helixtrans-50-20.8-179-60.1-54.2000114.6S122 V126 R128S122-D124 WeakPolarHBondContact CB-OD2 3.21Å; S122-D124 PolarHBondContact O-N 2.89Å; S122-D124 VanDerWaalsContact OG-CG 3.3Å; S122-D124 PolarHBondContact OG-OD2 3.45Å; D124-V126 VanDerWaalsContact C-N 3.28Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-R128 VanDerWaalsContact O-CB 3.24Å; D124-R128 WeakPolarHBondContact O-CB 3.47Å; D124-R128 PolarHBondContact O-N 3.22Å
125S75.4Confident69.2Low95 Ų95111.8 Ų111.866%0.66463%0.625SS**Hα-helixtrans-63.5-29.8173.569.10000113.7D123 G129D123-S125 PolarHBondContact O-N 3.03Å; S125-G129 PolarHBondContact O-N 2.8Å
126V84.8Confident71.8Confident83 Ų83111.2 Ų111.250%0.50362%0.622SS.*Hα-helixtrans-74.6-49.7176178.40000109.9D123 D124 R128 G129 I130D123-V126 PolarHBondContact O-N 3.04Å; D124-V126 VanDerWaalsContact C-N 3.28Å; D124-V126 PolarHBondContact O-N 3.41Å; V126-R128 PolarHBondContact O-N 2.95Å; V126-G129 PolarHBondContact O-N 3.44Å; V126-G129 VanDerWaalsContact O-N 3.13Å; V126-I130 HydrophobicContact CG1-CD1 3.97Å; V126-I130 WeakPolarHBondContact O-CG1 3.23Å; V126-I130 PolarHBondContact O-N 3Å
127D90.1Very high74.4Confident99 Ų99111.4 Ų111.453%0.52961%0.614SS.*Hα-helixtrans-67.1-38.1-178.8-71.4-31.2000111.7G129 I130 E131D127-G129 VanDerWaalsContact C-N 3.32Å; D127-G129 PolarHBondContact O-N 2.88Å; D127-I130 CarbonylContact O-C 3.55Å; D127-I130 WeakPolarHBondContact O-CB 3.33Å; D127-I130 PolarHBondContact O-N 3.22Å; D127-I130 VanDerWaalsContact O-N 3.1Å; D127-E131 WeakPolarHBondContact O-CG 3.5Å; D127-E131 PolarHBondContact O-N 3.46Å
128R89.3Confident76.9Confident173 Ų173111.7 Ų111.765%0.65361%0.607SS**Hα-helixtrans-61.9-37.7170.4-179.4152.4-69.2164.15.4112.9D124 V126 I130 E131 E132D124-R128 VanDerWaalsContact O-CB 3.24Å; D124-R128 WeakPolarHBondContact O-CB 3.47Å; D124-R128 PolarHBondContact O-N 3.22Å; V126-R128 PolarHBondContact O-N 2.95Å; R128-I130 VanDerWaalsContact C-N 3.31Å; R128-E131 PolarHBondContact O-N 3.04Å; R128-E132 WeakPolarHBondContact O-CB 3.3Å; R128-E132 PolarHBondContact O-N 3.35Å
129G92.6Very high78.6Confident36 Ų36114.5 Ų114.537%0.37161%0.605SS.*Hα-helixtrans-67-32.2173.200000112.9S125 V126 D127 A133S125-G129 PolarHBondContact O-N 2.8Å; V126-G129 PolarHBondContact O-N 3.44Å; V126-G129 VanDerWaalsContact O-N 3.13Å; D127-G129 VanDerWaalsContact C-N 3.32Å; D127-G129 PolarHBondContact O-N 2.88Å; G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 2.69Å
130I90.4Very high80.7Confident83 Ų83111.3 Ų111.343%0.42659%0.585SS.*Hα-helixtrans-71.5-44.2173.5-68.9165.4000110.6V126 D127 R128 A133 I134V126-I130 HydrophobicContact CG1-CD1 3.97Å; V126-I130 WeakPolarHBondContact O-CG1 3.23Å; V126-I130 PolarHBondContact O-N 3Å; D127-I130 CarbonylContact O-C 3.55Å; D127-I130 WeakPolarHBondContact O-CB 3.33Å; D127-I130 PolarHBondContact O-N 3.22Å; D127-I130 VanDerWaalsContact O-N 3.1Å; R128-I130 VanDerWaalsContact C-N 3.31Å; I130-A133 PolarHBondContact O-N 3.34Å; I130-I134 HydrophobicContact CG2-CD1 3.73Å; I130-I134 HydrophobicContact CG2-CG1 4.47Å; I130-I134 WeakPolarHBondContact O-CB 3.45Å; I130-I134 WeakPolarHBondContact O-CD1 3.3Å; I130-I134 WeakPolarHBondContact O-CG1 3.44Å; I130-I134 PolarHBondContact O-N 3.38Å
131E92.3Very high82.1Confident113 Ų113109.7 Ų109.753%0.52856%0.563SS.*Hα-helixtrans-59.2-47.8173.4-72-177147.900111.6D127 R128 I134 M135D127-E131 WeakPolarHBondContact O-CG 3.5Å; D127-E131 PolarHBondContact O-N 3.46Å; R128-E131 PolarHBondContact O-N 3.04Å; E131-I134 PolarHBondContact O-N 3.06Å; E131-M135 WeakPolarHBondContact O-CG 3.47Å; E131-M135 PolarHBondContact O-N 3.1Å
132E90.3Very high82.9Confident130 Ų130107 Ų10761%0.60755%0.549SS*.Hα-helixtrans-62.7-44.3178.1-172.2168.7-15800111.6R128 I134 M135 E136R128-E132 WeakPolarHBondContact O-CB 3.3Å; R128-E132 PolarHBondContact O-N 3.35Å; E132-I134 VanDerWaalsContact C-N 3.34Å; E132-I134 PolarHBondContact O-N 3.28Å; E132-M135 PolarHBondContact O-N 3.29Å; E132-E136 WeakPolarHBondContact O-CB 3.48Å; E132-E136 PolarHBondContact O-N 3.1Å
133A91.1Very high83.1Confident52 Ų52105.2 Ų105.243%0.4354%0.54SS..Hα-helixtrans-65.9-32.9175.900000113.2G129 I130 Y137G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 2.69Å; I130-A133 PolarHBondContact O-N 3.34Å; A133-Y137 WeakPolarHBondContact O-CB 3.43Å; A133-Y137 PolarHBondContact O-N 2.78Å
134I90.9Very high82.9Confident93 Ų93102.7 Ų102.748%0.47752%0.524SS..Hα-helixtrans-69.3-44.1173.3-72.9166.8000110.3I130 E131 E132 Y137 L138I130-I134 HydrophobicContact CG2-CD1 3.73Å; I130-I134 HydrophobicContact CG2-CG1 4.47Å; I130-I134 WeakPolarHBondContact O-CB 3.45Å; I130-I134 WeakPolarHBondContact O-CD1 3.3Å; I130-I134 WeakPolarHBondContact O-CG1 3.44Å; I130-I134 PolarHBondContact O-N 3.38Å; E131-I134 PolarHBondContact O-N 3.06Å; E132-I134 VanDerWaalsContact C-N 3.34Å; E132-I134 PolarHBondContact O-N 3.28Å; I134-Y137 PolarHBondContact O-N 3.12Å; I134-L138 HydrophobicContact CG2-CD1 3.87Å; I134-L138 HydrophobicContact CG2-CG 4.46Å; I134-L138 WeakPolarHBondContact O-CB 3.41Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 3.16Å
135M89.1Confident82.2Confident123 Ų123105.4 Ų105.461%0.60653%0.531SS*.Hα-helixtrans-63.9-42.1175.6-72.1-172.3-69.200112.1E131 E132 K139E131-M135 WeakPolarHBondContact O-CG 3.47Å; E131-M135 PolarHBondContact O-N 3.1Å; E132-M135 PolarHBondContact O-N 3.29Å; M135-K139 WeakPolarHBondContact O-CB 3.41Å; M135-K139 PolarHBondContact O-N 2.9Å
136E89.1Confident81.1Confident141 Ų141104 Ų10466%0.65951%0.511SS*.Hα-helixtrans-64-47175.1-174.9173.7-139.400111.2E132 L138 K139 E140E132-E136 WeakPolarHBondContact O-CB 3.48Å; E132-E136 PolarHBondContact O-N 3.1Å; E136-L138 PolarHBondContact O-N 3.2Å; E136-K139 PolarHBondContact O-N 3.4Å; E136-E140 WeakPolarHBondContact O-CB 3.5Å; E136-E140 PolarHBondContact O-N 2.95Å
137Y88Confident79.2Confident135 Ų135104.4 Ų104.453%0.52951%0.507SS..Hα-helixtrans-62.3-40.9177.9177.8-100.5000112.6A133 I134 K141A133-Y137 WeakPolarHBondContact O-CB 3.43Å; A133-Y137 PolarHBondContact O-N 2.78Å; I134-Y137 PolarHBondContact O-N 3.12Å; Y137-K141 HydrophobicContact CD1-CG 4.31Å; Y137-K141 HydrophobicContact CD2-CG 4.33Å; Y137-K141 HydrophobicContact CE1-CG 3.97Å; Y137-K141 HydrophobicContact CE2-CD 4.29Å; Y137-K141 VanDerWaalsContact CE2-CE 3.44Å; Y137-K141 HydrophobicContact CE2-CG 4Å; Y137-K141 HydrophobicContact CG-CG 4.49Å; Y137-K141 WeakPolarHBondContact O-CB 3.41Å; Y137-K141 WeakPolarHBondContact O-CG 3.3Å; Y137-K141 PolarHBondContact O-N 3.47Å; Y137-K141 WeakPolarHBondContact OH-CE 3.29Å
138L87.6Confident76.5Confident108 Ų108104.4 Ų104.457%0.56552%0.52SS*.Hα-helixtrans-63.3-45.5174.5-73169.4000111I134 E136 K141 D142I134-L138 HydrophobicContact CG2-CD1 3.87Å; I134-L138 HydrophobicContact CG2-CG 4.46Å; I134-L138 WeakPolarHBondContact O-CB 3.41Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 3.16Å; E136-L138 PolarHBondContact O-N 3.2Å; L138-K141 PolarHBondContact O-N 2.82Å; L138-D142 PolarHBondContact O-N 3.5Å
139K84.9Confident73.7Confident173 Ų17398.3 Ų98.375%0.75251%0.511SS*.Hα-helixtrans-63.9-39.1177.8-173.1177.1-177.9178.50113M135 E136 G143M135-K139 WeakPolarHBondContact O-CB 3.41Å; M135-K139 PolarHBondContact O-N 2.9Å; E136-K139 PolarHBondContact O-N 3.4Å; K139-G143 PolarHBondContact O-N 2.79Å
140E82.8Confident71.2Confident105 Ų105103.4 Ų103.449%0.49154%0.535SS..Hα-helixtrans-65.5-41.7172.9-169.4-159.1-140.300111.2E136 G143 H144E136-E140 WeakPolarHBondContact O-CB 3.5Å; E136-E140 PolarHBondContact O-N 2.95Å; E140-G143 PolarHBondContact O-N 3.37Å; E140-H144 PolarHBondContact O-CD2 3.2Å
141K73.8Confident68.4Low83 Ų83103.8 Ų103.836%0.36155%0.545SS..Hα-helixtrans-71-37-179-72.5-71.1162.5-71.10113.6Y137 L138 G143Y137-K141 HydrophobicContact CD1-CG 4.31Å; Y137-K141 HydrophobicContact CD2-CG 4.33Å; Y137-K141 HydrophobicContact CE1-CG 3.97Å; Y137-K141 HydrophobicContact CE2-CD 4.29Å; Y137-K141 VanDerWaalsContact CE2-CE 3.44Å; Y137-K141 HydrophobicContact CE2-CG 4Å; Y137-K141 HydrophobicContact CG-CG 4.49Å; Y137-K141 WeakPolarHBondContact O-CB 3.41Å; Y137-K141 WeakPolarHBondContact O-CG 3.3Å; Y137-K141 PolarHBondContact O-N 3.47Å; Y137-K141 WeakPolarHBondContact OH-CE 3.29Å; L138-K141 PolarHBondContact O-N 2.82Å; K141-G143 VanDerWaalsContact C-N 3.32Å
142D70.8Confident65.5Low122 Ų122103.3 Ų103.365%0.65255%0.554SS**Hα-helixtrans-70.7-32175.7-130.928.9000111.6L138 H144 C1027L138-D142 PolarHBondContact O-N 3.5Å; D142-H144 VanDerWaalsContact C-N 3.3Å; D142-H144 PolarHBondContact O-N 2.92Å; D142-C1027 VanDerWaalsContact O-CB 3.31Å; D142-C1027 WeakPolarHBondContact O-CB 3.4Å
143G59Low62.6Low29 Ų29103.4 Ų103.430%0.29956%0.564SS.*Hα-helixtrans-51.1-43.6173.400000113.7K139 E140 K141 K145 E1028 S1029K139-G143 PolarHBondContact O-N 2.79Å; E140-G143 PolarHBondContact O-N 3.37Å; K141-G143 VanDerWaalsContact C-N 3.32Å; G143-K145 VanDerWaalsContact C-N 3.26Å; G143-K145 PolarHBondContact O-N 3.49Å; G143-E1028 CarbonylContact O-C 2.89Å; G143-E1028 VanDerWaalsContact O-CA 3.28Å; G143-E1028 WeakPolarHBondContact O-CA 3.27Å; G143-E1028 PolarHBondContact O-N 2.66Å; G143-S1029 PolarHBondContact O-N 3.27Å
144H56.9Low59.8Low79 Ų79105 Ų10537%0.36657%0.572SS.*THydrogen-bonded Turntrans-71.79.5-167.5-68-44.6000117.9E140 D142 S1029 D1030E140-H144 PolarHBondContact O-CD2 3.2Å; D142-H144 VanDerWaalsContact C-N 3.3Å; D142-H144 PolarHBondContact O-N 2.92Å; H144-S1029 WeakPolarHBondContact O-CA 3.37Å; H144-D1030 PolarHBondContact O-N 3Å
145K57.8Low57Low159 Ų159108.1 Ų108.169%0.69158%0.584SS**THydrogen-bonded Turntrans-100.6-20.9-157.7-79.2-72-176.1175.50120.9G143 C1027G143-K145 VanDerWaalsContact C-N 3.26Å; G143-K145 PolarHBondContact O-N 3.49Å; K145-C1027 HydrophobicContact CB-CB 4.01Å
146R51.9Low54.3Low64 Ų64110.4 Ų110.424%0.24259%0.593CS.*SBendtrans-135.4156.2-175.7174.8-156.663.4158.2-2.8112S1025 D1026 C1027 E1028 S1029R146-S1025 PolarHBondContact NH1-O 3.04Å; R146-D1026 IonicContact CZ-OD1 3.83Å; R146-D1026 IonicContact CZ-OD2 2.89Å; R146-D1026 VanDerWaalsContact NH1-CG 3.35Å; R146-D1026 IonicContact NH1-OD1 3.61Å; R146-D1026 PolarHBondContact NH1-OD1 3.2Å; R146-D1026 IonicContact NH1-OD2 3.08Å; R146-D1026 IonicContact NH2-OD1 3.96Å; R146-D1026 PolarHBondContact NH2-OD1 2.71Å; R146-D1026 IonicContact NH2-OD2 3.95Å; R146-D1026 PolarHBondContact NH2-OD2 3.4Å; R146-C1027 HydrophobicContact CB-CB 4.38Å; R146-C1027 WeakPolarHBondContact CB-O 3.25Å; R146-C1027 WeakPolarHBondContact CB-SG 3.39Å; R146-C1027 PolarHBondContact NE-O 2.7Å; R146-C1027 PolarHBondContact NH2-O 2.97Å; R146-E1028 CarbonylContact O-C 3.59Å; R146-E1028 WeakPolarHBondContact O-CA 3.28Å; R146-S1029 WeakPolarHBondContact O-CA 3.22Å; R146-S1029 WeakPolarHBondContact O-CB 2.97Å; R146-S1029 PolarHBondContact O-N 2.91Å; R146-S1029 PolarHBondContact O-OG 2.84Å; R146-S1029 VanDerWaalsContact O-OG 3.07Å
147K44.1Very low51.5Low93 Ų93109 Ų10940%0.40460%0.599SS.*  trans66.995.5176.4-45.7-164.8-146.9144.20119.3E1028 S1029K147-E1028 HydrophobicContact CB-CG 4.24Å; K147-E1028 WeakPolarHBondContact CB-OE1 3.35Å; K147-E1028 WeakPolarHBondContact CD-OE2 3.27Å; K147-E1028 VanDerWaalsContact CE-OE2 3.28Å; K147-E1028 WeakPolarHBondContact CE-OE2 3.35Å; K147-E1028 IonicContact NZ-OE2 3.67Å; K147-E1028 PolarHBondContact NZ-OE2 3.36Å; K147-S1029 WeakPolarHBondContact O-CB 3.45Å; K147-S1029 PolarHBondContact O-OG 3.18Å; K147-S1029 VanDerWaalsContact O-OG 3.12Å
148A34Very low49Very low98 Ų98106.8 Ų106.881%0.8160%0.603SS**  -83.6108.3127.800000107
149G31.1Very low46.2Very low45 Ų45109.8 Ų109.846%0.46461%0.612SS.*  trans-120.9-52.3-16200000118
150T38.8Very low44Very low144 Ų144108.2 Ų108.288%0.88361%0.61SS**  trans61.9149.5-17439.60000116.4
151S32Very low42.2Very low90 Ų90107.7 Ų107.763%0.62962%0.616SS**  cis-170.4148.2-7.745.20000112.6
152S32.8Very low40.1Very low103 Ų103114.8 Ų114.872%0.7264%0.641SS**  trans61.8150.7149.463.70000119.8
153T28.8Very low38.2Very low132 Ų132118.6 Ų118.681%0.8165%0.651SS**  cis-176.3161.7-10.828.60000106.3
154S32.8Very low36.7Very low87 Ų87123.7 Ų123.761%0.60867%0.672SS**  cis178.5-178.1-17.1-176.90000108.1
155H31.2Very low36.3Very low158 Ų158125.5 Ų125.573%0.73169%0.69SS**  trans74.1150.2163.8-58.6-63.7000119.4
156Q33.4Very low34.8Very low170 Ų170124.4 Ų124.479%0.79469%0.691SS**  cis-173.9150.7-30.5-149.7177.64300110.3
157S28.5Very low34Very low112 Ų112127.2 Ų127.278%0.78372%0.718SS**  trans-162.717214874.80000111.6
158S35.3Very low33.1Very low88 Ų88130.1 Ų130.162%0.61573%0.731SS**  -163.7150.3-8452.10000109.1
159K29.7Very low32.7Very low172 Ų172131.6 Ų131.675%0.74872%0.721SS**  -179.8132.973.3-82.7-178-176.1161.30110.1
160I37.7Very low32.5Very low139 Ų139138.3 Ų138.371%0.71374%0.738SS**  75.9146.2105.1-63.3172.2000114.9
161P46.3Very low31.9Very low95 Ų95135 Ų13562%0.61773%0.726SS**  cis-136.314612.124.40.1000119.8
162R28.5Very low31.8Very low231 Ų231138.9 Ų138.987%0.87273%0.731SS**  trans67.2149.2134.8-62168.8177.6144-2.1118.5
163K32.7Very low31.6Very low202 Ų202141.3 Ų141.388%0.87873%0.731SS**  cis-140.816130.2-120.1155.7-175.5176.60112.6
164N27.5Very low31.6Very low137 Ų137143 Ų14373%0.73373%0.729SS**  trans-101.5175.7-174-108.6-4.3000111.9
165P47.9Very low31.4Very low116 Ų116143.3 Ų143.375%0.75373%0.731SS**  cis-149.5156.63741.6-20.2000122.1
166L26.3Very low31.3Very low136 Ų136145.1 Ų145.171%0.71274%0.74SS**  7150129.1-62.7171.9000119.9
167P34.3Very low31.1Very low123 Ų123139.6 Ų139.680%0.79973%0.729SS**  cis-126.2163.347.212.712.8000115.1
168F26.6Very low31.2Very low154 Ų154142 Ų14268%0.67573%0.733SS**  cis1009838.2-158.7-101.6000114.2
169E24.8Very low31Very low129 Ų129143.2 Ų143.260%0.60374%0.742SS**  trans56.9121.1130.4-157-178.7-91.800121.9
170F25.9Very low31Very low186 Ų186139.5 Ų139.582%0.81674%0.737SS**  -165.1164.4109.5-129-100.4000113.4
171A27.9Very low30.7Very low76 Ų76141.5 Ų141.563%0.62874%0.741SS**  trans-134.6160.5-172.600000114.3
172K28.9Very low29.9Very low170 Ų170144.6 Ų144.674%0.73975%0.751SS**  trans72.6140.2154.4-87.6-178.7171.5-176.90121.4
173Q29.4Very low29.8Very low154 Ų154138.1 Ų138.172%0.7274%0.741SS**  trans67.5169.5149.2-65.6168.1-6500114.8
174H26.9Very low29.6Very low167 Ų167134.5 Ų134.577%0.77374%0.741SS**  cis-139.9-167.814.4-41.6-109.3000109.3
175S30.6Very low29.8Very low94 Ų94131.3 Ų131.366%0.65774%0.741SS**  cis-165.7148.5-2.61290000108
176E27.6Very low29.2Very low196 Ų196135.4 Ų135.492%0.91675%0.747SS**  -169129.3121.3-106.6167.8-157.800110.2
177G28.8Very low29.4Very low54 Ų54138.5 Ų138.556%0.55775%0.754SS**  cis-177-169.6-6.700000115.1
178N31.4Very low29.9Very low164 Ų164137.7 Ų137.788%0.87775%0.749SS**  trans80.1130.7163.5-57.3-16.6000120.6
179S30.5Very low30.1Very low113 Ų113136.9 Ų136.979%0.7976%0.757SS**  trans70.9135.5152.3-163.60000119
180S31.2Very low30.4Very low93 Ų93134.8 Ų134.865%0.6576%0.756SS**  cis-162.6143.5-15.2-89.10000111.1
181F30.2Very low30.6Very low181 Ų181131.9 Ų131.979%0.79475%0.753SS**  trans39.3131.9148.8-68.7-67.9000124.2
182I29.4Very low30.7Very low161 Ų161136.6 Ų136.683%0.82676%0.76SS**  trans74.6149.1140.3-67.2166.4000117.9
183S27.9Very low30.8Very low95 Ų95133.7 Ų133.766%0.66476%0.761SS**  cis-175.4147.1-34.6-171.50000110.2
184S27.1Very low30.8Very low126 Ų126135 Ų13588%0.88177%0.767SS**  trans64.6165.5165.479.70000117.8
185G31.7Very low31Very low70 Ų70133 Ų13372%0.72277%0.767SS**  trans-172.2-57.5-17900000118.2
186K35.9Very low31.6Very low202 Ų202133.8 Ų133.888%0.87877%0.769SS**  trans73.9133-177.2-53.9174.5179.6173.70118.1
187F30.2Very low31.7Very low200 Ų200131.3 Ų131.388%0.87776%0.761SS**  trans-20.3163.5136.8-63.5-71.4000117.1
188P45.7Very low31.6Very low107 Ų107134.8 Ų134.870%0.69577%0.772SS**  cis-155.8-176.838.343-20.8000120.4
189V30.4Very low31.4Very low136 Ų136131.1 Ų131.182%0.82476%0.764SS**  trans71139.8140.9146.70000118.1
190S30.4Very low31.2Very low86 Ų86130.5 Ų130.560%0.60177%0.766SS**  cis-174.6162.7-8.359.80000112.7
191V30.9Very low31.1Very low124 Ų124130.5 Ų130.575%0.75277%0.771SS**  trans53.4140.2134.8167.40000119.8
192K30.3Very low31.6Very low175 Ų175129.4 Ų129.476%0.76177%0.772SS**  cis-169.3153-18.6-97.6-179-176.4177.60106.8
193S29.7Very low32.8Very low109 Ų109126.4 Ų126.476%0.76276%0.763SS**  trans58.7162.6147.9560000122.6
194E30.2Very low33.1Very low183 Ų183128.3 Ų128.386%0.85577%0.765SS**  trans93.396.7151.3-150.3149.5-142.200119.8
195T31.2Very low33.7Very low125 Ų125131.1 Ų131.177%0.76776%0.762SS**  trans-77.1156.515148.30000109.8
196P43.8Very low34.2Very low109 Ų109133.7 Ų133.771%0.70875%0.753SS**  -160.2-161.55145.2-22.4000117.8
197I29.7Very low34.2Very low144 Ų144133 Ų13374%0.73875%0.746SS**  trans78.4105.9153.4-71.5171.3000119.8
198T26.6Very low34.6Very low128 Ų128130.3 Ų130.379%0.78574%0.739SS**  59.5127.1121.5-45.60000123.8
199A26.3Very low34.1Very low87 Ų87133.8 Ų133.872%0.71974%0.744SS**  trans71.1117.614800000123.2
200A27.1Very low34.5Very low100 Ų100133.6 Ų133.683%0.82674%0.738SS**  69163.2129.500000122.2
201A28.8Very low35.2Very low92 Ų92138.8 Ų138.876%0.7675%0.75SS**  trans77.596.3165.500000120.5
202I39.4Very low35.5Very low159 Ų159136.9 Ų136.982%0.81575%0.747SS**  -27.8166.8124.132.7168.3000115.1
203P54.8Low35.9Very low98 Ų98133.8 Ų133.864%0.63675%0.747SS**  cis-149-162.528.528.50000117.3
204L35.2Very low36.1Very low134 Ų134137.9 Ų137.970%0.70275%0.746SS**  trans85.9143.8159-47.2171.8000116
205K38.4Very low36.2Very low186 Ų186133.9 Ų133.981%0.80973%0.73SS**  cis-147.1163.522.1-63.3168.7-176.2167.50110.5
206K43.4Very low36.4Very low124 Ų124135.5 Ų135.554%0.53973%0.729SS.*  cis-178.7163.8-19.2-99.3168.4152.3-165.40108.1
207Y35.8Very low35.9Very low186 Ų186135.9 Ų135.973%0.72973%0.725SS**  trans78.4141.6161.4-48.7-59.7000117.2
208I39.1Very low36.2Very low145 Ų145135.4 Ų135.474%0.74472%0.723SS**  cis-155.41380.6-130.6164.3000114.4
209K35.3Very low36.3Very low180 Ų180136.7 Ų136.778%0.78372%0.72SS**  trans66.2131.7143.3-157.8175.5-174.9-1780121.1
210N39Very low36.6Very low132 Ų132138.3 Ų138.371%0.70672%0.72SS**  cis-172.6155.7-19.3-111.15.4000113
211K43.5Very low36.8Very low195 Ų195138.7 Ų138.785%0.84871%0.709SS**  trans66127.9153.2-69.9-78.9-176.9177.50117.2
212A37.6Very low37.1Very low83 Ų83142.4 Ų142.469%0.68671%0.708SS**  cis-142.1-156.10.200000109.1
213S38.8Very low36.9Very low110 Ų110139.8 Ų139.877%0.76970%0.704SS**  cis-163.3167.77-124.40000108.2
214R33.3Very low35.8Very low196 Ų196139.4 Ų139.474%0.7470%0.703SS**  cis-141-90-6.1-149.9-143100-162.12.2110.6
215D32.3Very low36Very low99 Ų99135.2 Ų135.253%0.52969%0.688SS.*  trans-166.7179.6-163.4-5653.3000105.6
216E35.5Very low35.9Very low159 Ų159129.9 Ų129.974%0.74367%0.668SS**  cis177.5164.3-31-85.8-59.5-87.400105.1
217N33.9Very low35.3Very low116 Ų116127.1 Ų127.162%0.6266%0.664SS**  cis176.6171.6-28.1-164.8-7000108.2
218I36.3Very low35.2Very low134 Ų134125.1 Ų125.169%0.68767%0.666SS**  trans71.5144.1162.1-64.3167.2000118
219E27.9Very low34.8Very low155 Ų155125.2 Ų125.272%0.72467%0.667SS**  cis-173148.9-25-102-175.389.900110
220V33.3Very low34.4Very low121 Ų121121.6 Ų121.673%0.73366%0.664SS**  trans69.7148.4146.8169.10000117.7
221D31.4Very low33.9Very low109 Ų109120 Ų12058%0.58366%0.663SS**  cis-156.3172.716.1-138.4-22.1000113.9
222K34.9Very low33.2Very low170 Ų170118.6 Ų118.674%0.73966%0.66SS**  trans17.5153.7149-69.3151-161.51410123.5
223S34.4Very low32.7Very low104 Ų104121.4 Ų121.473%0.72766%0.659SS**  cis178.5120.1-13.555.60000115.8
224S33.4Very low32.2Very low90 Ų90120.4 Ų120.463%0.62964%0.642SS**  trans50.1175.3161.873.20000122.2D1008S224-D1008 WeakPolarHBondContact CB-OD2 3.3Å; S224-D1008 PolarHBondContact OG-OD2 3.26Å
225A38.7Very low31.7Very low45 Ų45119.2 Ų119.237%0.37264%0.637SS.*  cis176.2115.849.700000120.2M1007 D1008A225-M1007 HydrophobicContact CB-CE 4.33Å; A225-D1008 WeakPolarHBondContact CA-OD1 3.44Å; A225-D1008 WeakPolarHBondContact CB-OD1 3.39Å
226N36.7Very low31.5Very low75 Ų75121.8 Ų121.840%0.40164%0.644SS.*  trans164.880.4135.4-94.8-86.4000124.2M1007 D1008N226-M1007 WeakPolarHBondContact ND2-CE 3.47Å; N226-M1007 PolarHBondContact ND2-SD 3.49Å; N226-M1007 VanDerWaalsContact OD1-CB 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CB 3.38Å; N226-M1007 VanDerWaalsContact OD1-CG 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CG 3.37Å; N226-M1007 PolarHBondContact OD1-SD 3.16Å; N226-D1008 PolarHBondContact N-OD1 3.2Å
227S30.8Very low31.1Very low65 Ų65119.3 Ų119.346%0.45564%0.644SS.*  trans67.3102.3132.9-1690000126D1008S227-D1008 WeakPolarHBondContact CA-O 3.41Å; S227-D1008 PolarHBondContact N-O 3.45Å
228L32.7Very low31.4Very low145 Ų145118.5 Ų118.576%0.75965%0.645SS**  19.9120.4124-103173.4000122
229L31.6Very low31.2Very low146 Ų146117 Ų11776%0.76465%0.647SS**  156.8127.4110.9-91.4167.7000117.8
230S26.6Very low31.1Very low104 Ų104113.9 Ų113.973%0.72763%0.632SS**  trans29.8138.6143.2-54.50000125.5
231S28.1Very low31.1Very low98 Ų98112.3 Ų112.369%0.68562%0.623SS**  179131.3108.9-104.30000115.4
232E28.5Very low31Very low167 Ų167113.3 Ų113.378%0.7863%0.625SS**  trans60133.3131.6-65.6170.5112.300124.9
233E27.4Very low30.7Very low142 Ų142113.9 Ų113.966%0.66462%0.623SS**  trans70.7148.4148.5-53.6-103.389.500119
234Q27.6Very low30.4Very low89 Ų89116.1 Ų116.142%0.41662%0.62SS.*  cis-161.6150.8-6.1-121.2-170.624.700118.9E271Q234-E271 PolarHBondContact N-OE2 2.92Å
235W24Very low30.2Very low170 Ų170120.7 Ų120.764%0.64463%0.629SS**  trans64.8137.1149.7-75.719.6000123I274W235-I274 WeakPolarHBondContact O-CD1 3.34Å
236K27.3Very low29.6Very low154 Ų154125.4 Ų125.467%0.6765%0.648SS**  trans49.5123.8138.9-62.2171.9-176.1160.30121.6
237S28.5Very low29.1Very low107 Ų107126.8 Ų126.875%0.74866%0.663SS**  trans-71.3-175.9167.360000114.6
238P40.1Very low29Very low98 Ų98129.6 Ų129.664%0.63668%0.678SS**  cis-131.5-177.9-22.936.4-17.5000114Y277P238-Y277 WeakPolarHBondContact O-CE1 3.44Å; P238-Y277 PolarHBondContact O-OH 3.4Å; P238-Y277 VanDerWaalsContact O-OH 3.14Å
239S30.6Very low28.8Very low103 Ų103129.9 Ų129.972%0.7268%0.679SS**  trans-77.6158.3-161.5-38.80000120.8
240E27.5Very low28.6Very low89 Ų89128 Ų12842%0.41667%0.674SS.*  trans-150.9156.3161.6-56.5178.967.500110.4Y277 K281E240-Y277 HydrophobicContact CB-CD2 4.47Å; E240-Y277 HydrophobicContact CB-CE2 3.75Å; E240-Y277 HydrophobicContact CG-CE2 4.01Å; E240-Y277 VanDerWaalsContact N-CD2 3.31Å; E240-Y277 WeakPolarHBondContact O-CD2 3.27Å; E240-Y277 PolarHBondContact OE2-OH 3.5Å; E240-K281 IonicContact OE2-NZ 2.79Å; E240-K281 PolarHBondContact OE2-NZ 3.2Å
241T31.5Very low28.4Very low88 Ų88133.7 Ų133.754%0.5468%0.681SS.*  cis-160.483.3-33.5-58.40000112.4E280T241-E280 PolarHBondContact N-OE1 2.92Å
242M30.8Very low29.3Very low130 Ų130134.2 Ų134.264%0.6468%0.682SS**  trans76.1139.7140.3-154.1-150.1-59.100121.7E280M242-E280 PolarHBondContact N-OE1 2.91Å; M242-E280 VanDerWaalsContact N-OE1 3.16Å
243R27.7Very low29.2Very low182 Ų182132.6 Ų132.669%0.68768%0.684SS**  trans79.9157.1162.1-36.5178.8-163.4152.34.1116.7
244F28.6Very low29.2Very low151 Ų151133.8 Ų133.866%0.66269%0.691SS**  cis-137.6165.16.9-81.7-81.4000109
245F28.4Very low29.8Very low187 Ų187134.8 Ų134.882%0.8271%0.705SS**  -173.3174.670.3-94.2-77000113.3
246N27.3Very low30Very low144 Ų144136.4 Ų136.477%0.7772%0.717SS**  trans-68.7163.9177.1-43.7-73.9000111.9
247S26.3Very low30.3Very low103 Ų103136.6 Ų136.672%0.7272%0.722SS**  cis179150.24457.30000115
248T28.7Very low30.7Very low125 Ų125138.1 Ų138.177%0.76772%0.717SS**  trans73129.6138.5-54.90000123.4
249L28.7Very low30.9Very low150 Ų150139 Ų13979%0.78571%0.713SS**  trans85.1113.9156.1-111.571.5000123.4
250T25.4Very low31.2Very low108 Ų108138.3 Ų138.366%0.66370%0.701SS**  trans39.5119.1136.555.70000124.1
251Y23.7Very low31.9Very low223 Ų223139.5 Ų139.588%0.87571%0.71SS**  22.3155.4124-69.5-66.3000122.2
252P47.4Very low32.4Very low108 Ų108140.6 Ų140.670%0.70172%0.721SS**  cis-138.9-155-18.836.7-14.5000113.2
253V25.3Very low32.8Very low134 Ų134141.4 Ų141.481%0.81273%0.728SS**  trans105.6133.9162.8-176.10000116.6
254M28.5Very low33.9Very low167 Ų167138.1 Ų138.182%0.82373%0.733SS**  trans-106.2156.6173.1-54.2-114.568.900109.3
255P40.1Very low34.5Very low109 Ų109136.9 Ų136.971%0.70874%0.743SS**  -157.6140.59736.6-17000118
256K27.8Very low35.7Very low205 Ų205132 Ų13289%0.89173%0.732SS**  trans62.1168.2148.3-53.9178.1173.6-166.40116.8
257M32.7Very low36.6Very low157 Ų157131.1 Ų131.177%0.77373%0.727SS**  cis-149.7166.39.866-159.5-166.200112.1
258E37.1Very low38.2Very low139 Ų139131.5 Ų131.565%0.6572%0.721SS**  trans34.8123.8138.7-74.9164.5160.800120.1
259E44.5Very low39.6Very low118 Ų118127.6 Ų127.655%0.55171%0.706SS**  cis66.811524.2-42.4-175.398.100112.7D1013 Q1014E259-D1013 WeakPolarHBondContact CA-O 3.27Å; E259-D1013 PolarHBondContact N-O 2.81Å; E259-D1013 VanDerWaalsContact N-O 3.14Å; E259-Q1014 PolarHBondContact OE1-NE2 2.67Å
260D37.3Very low41.3Very low88 Ų88125.4 Ų125.447%0.47169%0.694SS.*  cis-150.3169.612.6-175.215.7000110.6D1013 Q1014D260-D1013 WeakPolarHBondContact CA-O 3.32Å; D260-D1013 PolarHBondContact N-O 2.78Å; D260-Q1014 VanDerWaalsContact CB-OE1 3.29Å; D260-Q1014 WeakPolarHBondContact OD1-CB 3.4Å; D260-Q1014 WeakPolarHBondContact OD1-CG 3.36Å; D260-Q1014 PolarHBondContact OD1-OE1 2.97Å
261L42.3Very low43Very low113 Ų113123.7 Ų123.759%0.59268%0.679SS**  trans91.998.5157.6-53178.2000122.6
262S41.9Very low45.1Very low111 Ų111118 Ų11878%0.77666%0.66SS**  50.6119.7121.6-49.60000119.7
263D40.2Very low46.3Very low147 Ų147115.7 Ų115.779%0.78665%0.65SS**  -169.5137.956-172.3-6.4000111.7
264S50.1Low48.6Very low113 Ų113110.5 Ų110.579%0.7962%0.617SS**  trans54.690.5163.7-630000119.8
265S41.6Very low50.9Low126 Ų126108 Ų10888%0.88160%0.604SS**  trans-132.3163.6158.966.60000111.7
266S52.6Low52.6Low85 Ų85110.4 Ų110.459%0.59460%0.599SS**  trans-65.9141.4-164.8-50.90000116.3D268S266-D268 WeakPolarHBondContact CB-OD1 3.17Å; S266-D268 WeakPolarHBondContact CB-OD2 3.48Å; S266-D268 PolarHBondContact O-N 2.97Å; S266-D268 PolarHBondContact OG-OD2 2.88Å
267D46.4Very low55.1Low124 Ų124102.7 Ų102.766%0.66356%0.564SS**  trans-85.362.5152.5-174.916.9000110.8G269D267-G269 PolarHBondContact O-N 3.3Å; D267-G269 PolarHBondContact OD1-N 3.08Å
268D59Low57.1Low112 Ų112100.2 Ų100.260%0.59955%0.551SS**THydrogen-bonded Turntrans-73.84.1171.1-65.7-33.7000111.6S266 I270 E271 E272S266-D268 WeakPolarHBondContact CB-OD1 3.17Å; S266-D268 WeakPolarHBondContact CB-OD2 3.48Å; S266-D268 PolarHBondContact O-N 2.97Å; S266-D268 PolarHBondContact OG-OD2 2.88Å; D268-I270 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 3.41Å; D268-E271 PolarHBondContact O-N 3.47Å; D268-E272 PolarHBondContact O-N 2.96Å
269G59.5Low58.9Low43 Ų4399 Ų9944%0.44355%0.548SS..Hα-helixtrans-68.7-27.6178.900000113.5D267 A273D267-G269 PolarHBondContact O-N 3.3Å; D267-G269 PolarHBondContact OD1-N 3.08Å; G269-A273 VanDerWaalsContact O-CB 3.27Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.27Å
270I64.7Low60.3Low104 Ų10497.2 Ų97.253%0.53354%0.54SS..Hα-helixtrans-65.3-42.3172.9-78.9179000111.2D268 A273 I274D268-I270 VanDerWaalsContact C-N 3.32Å; D268-I270 PolarHBondContact O-N 3.41Å; I270-A273 PolarHBondContact O-N 2.99Å; I270-I274 HydrophobicContact CG2-CD1 3.53Å; I270-I274 HydrophobicContact CG2-CG1 4.39Å; I270-I274 WeakPolarHBondContact O-CB 3.36Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.19Å; I270-I274 PolarHBondContact O-N 2.97Å
271E59.8Low61.9Low72 Ų7297.9 Ų97.934%0.33654%0.539SS..Hα-helixtrans-67-43.9180-171.360.2-145.500110.9Q234 D268 A273 I274 Q275Q234-E271 PolarHBondContact N-OE2 2.92Å; D268-E271 PolarHBondContact O-N 3.47Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 3.26Å; E271-I274 PolarHBondContact O-N 3.07Å; E271-Q275 WeakPolarHBondContact O-CB 3.21Å; E271-Q275 PolarHBondContact O-N 2.94Å
272E69Low62.9Low102 Ų10296.8 Ų96.848%0.47753%0.533SS..Hα-helixtrans-65.9-35.6176-146.3-145.716300112.4D268 R276D268-E272 PolarHBondContact O-N 2.96Å; E272-R276 VanDerWaalsContact CD-NH2 3.29Å; E272-R276 WeakPolarHBondContact O-CB 3.32Å; E272-R276 VanDerWaalsContact O-CG 3.27Å; E272-R276 WeakPolarHBondContact O-CG 3.22Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-CZ 2.68Å; E272-R276 IonicContact OE1-NE 3.84Å; E272-R276 PolarHBondContact OE1-NE 2.84Å; E272-R276 IonicContact OE1-NH2 2.7Å; E272-R276 PolarHBondContact OE1-NH2 3.34Å; E272-R276 IonicContact OE2-CZ 2.67Å; E272-R276 IonicContact OE2-NE 2.66Å; E272-R276 IonicContact OE2-NH2 2.97Å; E272-R276 PolarHBondContact OE2-NH2 3.47Å
273A71.2Confident64.1Low60 Ų6095.6 Ų95.650%0.49652%0.515SS..Hα-helixtrans-68-43176.400000112.4G269 I270 E271 Y277G269-A273 VanDerWaalsContact O-CB 3.27Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.27Å; I270-A273 PolarHBondContact O-N 2.99Å; E271-A273 VanDerWaalsContact C-N 3.33Å; E271-A273 PolarHBondContact O-N 3.26Å; A273-Y277 WeakPolarHBondContact O-CB 3.41Å; A273-Y277 PolarHBondContact O-N 3.04Å
274I73.5Confident64.9Low26 Ų2694.5 Ų94.513%0.13351%0.505CS..Hα-helixtrans-63.5-46.6174.2-72.2166.4000110W235 I270 E271 R276 Y277 Q278W235-I274 WeakPolarHBondContact O-CD1 3.34Å; I270-I274 HydrophobicContact CG2-CD1 3.53Å; I270-I274 HydrophobicContact CG2-CG1 4.39Å; I270-I274 WeakPolarHBondContact O-CB 3.36Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.19Å; I270-I274 PolarHBondContact O-N 2.97Å; E271-I274 PolarHBondContact O-N 3.07Å; I274-R276 PolarHBondContact O-N 3.34Å; I274-Y277 PolarHBondContact O-N 3.44Å; I274-Q278 HydrophobicContact CG2-CG 4.35Å; I274-Q278 WeakPolarHBondContact O-CG 3.39Å; I274-Q278 PolarHBondContact O-N 2.86Å
275Q77.3Confident64.8Low115 Ų11592.5 Ų92.554%0.53749%0.491SS..Hα-helixtrans-64.1-40.4-179.2-164.5174.3113.100111.9E271 Q278 L279E271-Q275 WeakPolarHBondContact O-CB 3.21Å; E271-Q275 PolarHBondContact O-N 2.94Å; Q275-Q278 PolarHBondContact O-N 3.03Å; Q275-L279 WeakPolarHBondContact O-CB 3.5Å; Q275-L279 PolarHBondContact O-N 3.4Å
276R76.7Confident65.3Low159 Ų15993.4 Ų93.460%0.648%0.48SS*.Hα-helixtrans-62.5-43.8172.3-76.7177.2-178.1-169.76.5112.3E272 I274 L279 E280E272-R276 VanDerWaalsContact CD-NH2 3.29Å; E272-R276 WeakPolarHBondContact O-CB 3.32Å; E272-R276 VanDerWaalsContact O-CG 3.27Å; E272-R276 WeakPolarHBondContact O-CG 3.22Å; E272-R276 PolarHBondContact O-N 3.45Å; E272-R276 IonicContact OE1-CZ 2.68Å; E272-R276 IonicContact OE1-NE 3.84Å; E272-R276 PolarHBondContact OE1-NE 2.84Å; E272-R276 IonicContact OE1-NH2 2.7Å; E272-R276 PolarHBondContact OE1-NH2 3.34Å; E272-R276 IonicContact OE2-CZ 2.67Å; E272-R276 IonicContact OE2-NE 2.66Å; E272-R276 IonicContact OE2-NH2 2.97Å; E272-R276 PolarHBondContact OE2-NH2 3.47Å; I274-R276 PolarHBondContact O-N 3.34Å; R276-L279 PolarHBondContact O-N 3.07Å; R276-E280 PolarHBondContact O-N 3.32Å
277Y79.3Confident64.6Low42 Ų4297.9 Ų97.917%0.16548%0.483CS..Hα-helixtrans-64.2-43.3176.3164.6-128.9000112.3P238 E240 A273 I274 L279 E280 K281P238-Y277 WeakPolarHBondContact O-CE1 3.44Å; P238-Y277 PolarHBondContact O-OH 3.4Å; P238-Y277 VanDerWaalsContact O-OH 3.14Å; E240-Y277 HydrophobicContact CB-CD2 4.47Å; E240-Y277 HydrophobicContact CB-CE2 3.75Å; E240-Y277 HydrophobicContact CG-CE2 4.01Å; E240-Y277 VanDerWaalsContact N-CD2 3.31Å; E240-Y277 WeakPolarHBondContact O-CD2 3.27Å; E240-Y277 PolarHBondContact OE2-OH 3.5Å; A273-Y277 WeakPolarHBondContact O-CB 3.41Å; A273-Y277 PolarHBondContact O-N 3.04Å; I274-Y277 PolarHBondContact O-N 3.44Å; Y277-L279 VanDerWaalsContact C-N 3.25Å; Y277-L279 PolarHBondContact O-N 2.99Å; Y277-E280 PolarHBondContact O-N 3.28Å; Y277-K281 HydrophobicContact CE2-CB 4.4Å; Y277-K281 HydrophobicContact CE2-CD 4.13Å; Y277-K281 WeakPolarHBondContact O-CB 3.4Å; Y277-K281 PolarHBondContact O-N 2.96Å; Y277-K281 PolarHBondContact OH-NZ 2.88Å
278Q74.3Confident64.8Low106 Ų106101.3 Ų101.350%0.49550%0.495SS..Hα-helixtrans-62.6-33.6173.9-69.3-177.625.200111.9I274 Q275 N282I274-Q278 HydrophobicContact CG2-CG 4.35Å; I274-Q278 WeakPolarHBondContact O-CG 3.39Å; I274-Q278 PolarHBondContact O-N 2.86Å; Q275-Q278 PolarHBondContact O-N 3.03Å; Q278-N282 VanDerWaalsContact O-CB 3.3Å; Q278-N282 WeakPolarHBondContact O-CB 3.4Å; Q278-N282 VanDerWaalsContact O-CG 3.27Å; Q278-N282 PolarHBondContact O-N 2.85Å; Q278-N282 PolarHBondContact O-ND2 3.42Å
279L76.4Confident63.7Low112 Ų11299.6 Ų99.659%0.58650%0.497SS*.Hα-helixtrans-71.3-41.4175.3-153.1161.1000111.6Q275 R276 Y277 N282 E283Q275-L279 WeakPolarHBondContact O-CB 3.5Å; Q275-L279 PolarHBondContact O-N 3.4Å; R276-L279 PolarHBondContact O-N 3.07Å; Y277-L279 VanDerWaalsContact C-N 3.25Å; Y277-L279 PolarHBondContact O-N 2.99Å; L279-N282 CarbonylContact O-C 3.49Å; L279-N282 PolarHBondContact O-N 3.39Å; L279-E283 PolarHBondContact O-N 2.85Å
280E72.3Confident62.1Low82 Ų82103.8 Ų103.838%0.38352%0.518SS..Hα-helixtrans-59.8-44.8172.4-173.3171.1169.500111.4T241 M242 R276 Y277 N282 E283 Q284T241-E280 PolarHBondContact N-OE1 2.92Å; M242-E280 PolarHBondContact N-OE1 2.91Å; M242-E280 VanDerWaalsContact N-OE1 3.16Å; R276-E280 PolarHBondContact O-N 3.32Å; Y277-E280 PolarHBondContact O-N 3.28Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 3.45Å; E280-E283 WeakPolarHBondContact O-CB 3.34Å; E280-E283 PolarHBondContact O-N 2.84Å; E280-Q284 PolarHBondContact O-N 3Å
281K72.9Confident61.1Low102 Ų102104.6 Ų104.644%0.44352%0.523SS..Hα-helixtrans-64.6-33.1175.2-161.8163.6-172.5136.10112.8E240 Y277 Q284 S285E240-K281 IonicContact OE2-NZ 2.79Å; E240-K281 PolarHBondContact OE2-NZ 3.2Å; Y277-K281 HydrophobicContact CE2-CB 4.4Å; Y277-K281 HydrophobicContact CE2-CD 4.13Å; Y277-K281 WeakPolarHBondContact O-CB 3.4Å; Y277-K281 PolarHBondContact O-N 2.96Å; Y277-K281 PolarHBondContact OH-NZ 2.88Å; K281-Q284 VanDerWaalsContact O-CB 3.27Å; K281-Q284 WeakPolarHBondContact O-CB 3.47Å; K281-Q284 PolarHBondContact O-N 2.97Å; K281-S285 PolarHBondContact O-N 3.03Å
282N62.3Low60Low90 Ų90106.6 Ų106.648%0.48154%0.543SS..Hα-helixtrans-80.5-18.7174-77.6-41.3000114.5Q278 L279 E280 S285 K286Q278-N282 VanDerWaalsContact O-CB 3.3Å; Q278-N282 WeakPolarHBondContact O-CB 3.4Å; Q278-N282 VanDerWaalsContact O-CG 3.27Å; Q278-N282 PolarHBondContact O-N 2.85Å; Q278-N282 PolarHBondContact O-ND2 3.42Å; L279-N282 CarbonylContact O-C 3.49Å; L279-N282 PolarHBondContact O-N 3.39Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 3.45Å; N282-S285 PolarHBondContact O-OG 3.46Å; N282-K286 WeakPolarHBondContact O-CD 3.43Å; N282-K286 WeakPolarHBondContact O-CG 3.48Å
283E66.7Low58.1Low85 Ų85108.7 Ų108.740%0.39755%0.552SS.*Hα-helixtrans-70.2-40.5162.8-92.9-83.9120.100109.9L279 E280 S285 K286 R287L279-E283 PolarHBondContact O-N 2.85Å; E280-E283 WeakPolarHBondContact O-CB 3.34Å; E280-E283 PolarHBondContact O-N 2.84Å; E283-S285 PolarHBondContact O-N 2.96Å; E283-K286 PolarHBondContact O-N 3.48Å; E283-K286 VanDerWaalsContact O-N 3.1Å; E283-R287 IonicContact OE2-CZ 2.75Å; E283-R287 IonicContact OE2-NH2 3.2Å; E283-R287 PolarHBondContact OE2-NH2 2.8Å
284Q56.5Low56.4Low124 Ų124111.9 Ų111.958%0.57957%0.566SS**Hα-helixtrans-58.3-45.9176.8-146.481.4-54.900111.5E280 K281 K286 R287E280-Q284 PolarHBondContact O-N 3Å; K281-Q284 VanDerWaalsContact O-CB 3.27Å; K281-Q284 WeakPolarHBondContact O-CB 3.47Å; K281-Q284 PolarHBondContact O-N 2.97Å; Q284-K286 PolarHBondContact O-N 3.41Å; Q284-R287 PolarHBondContact O-N 3.09Å; Q284-R287 VanDerWaalsContact O-N 3.16Å
285S49.8Very low54.3Low71 Ų71117.7 Ų117.750%0.49759%0.591SS.*Hα-helixtrans-63.8-24.6176.770.40000113.8K281 N282 E283 R287K281-S285 PolarHBondContact O-N 3.03Å; N282-S285 PolarHBondContact O-OG 3.46Å; E283-S285 PolarHBondContact O-N 2.96Å; S285-R287 VanDerWaalsContact C-N 3.32Å; S285-R287 PolarHBondContact O-N 2.95Å
286K50.2Low52.1Low145 Ų145120.3 Ų120.363%0.6360%0.603SS**THydrogen-bonded Turntrans-84.3-0.5177.8-70.8169.5-172163.10114.1N282 E283 Q284N282-K286 WeakPolarHBondContact O-CD 3.43Å; N282-K286 WeakPolarHBondContact O-CG 3.48Å; E283-K286 PolarHBondContact O-N 3.48Å; E283-K286 VanDerWaalsContact O-N 3.1Å; Q284-K286 PolarHBondContact O-N 3.41Å
287R39.6Very low49.9Very low179 Ų179118.3 Ų118.368%0.67560%0.6SS**THydrogen-bonded Turntrans-100.617.9176.6-65.7-168.6-170.1175.411.8115E283 Q284 S285 A289E283-R287 IonicContact OE2-CZ 2.75Å; E283-R287 IonicContact OE2-NH2 3.2Å; E283-R287 PolarHBondContact OE2-NH2 2.8Å; Q284-R287 PolarHBondContact O-N 3.09Å; Q284-R287 VanDerWaalsContact O-N 3.16Å; S285-R287 VanDerWaalsContact C-N 3.32Å; S285-R287 PolarHBondContact O-N 2.95Å; R287-A289 PolarHBondContact O-N 2.66Å
288E49.5Very low47.9Very low196 Ų196123.2 Ų123.292%0.91663%0.629SS**  trans-63.264143-67-160.8139.600110.9
289A37Very low46.1Very low77 Ų77121.5 Ų121.564%0.63663%0.629SS**  trans-139.410.4-164.900000115.4R287R287-A289 PolarHBondContact O-N 2.66Å
290C25.5Very low44.8Very low130 Ų130124.9 Ų124.988%0.87865%0.648SS**SBendtrans-150.584.3162.5-155.70000112.3
291N43.8Very low43.2Very low121 Ų121125.1 Ų125.165%0.64766%0.659SS**  trans-122.1137.6169.8-168.3-12.8000107.7Q293N291-Q293 PolarHBondContact OD1-N 2.77Å
292P36.9Very low42.4Very low115 Ų115127.6 Ų127.675%0.74768%0.683SS**  -141.8104.1126.533.8-18.1000113.9
293Q29.4Very low42.1Very low145 Ų145127.4 Ų127.468%0.67869%0.688SS**  54.1114.2110.6-168.7172.523.700116.4N291 F295N291-Q293 PolarHBondContact OD1-N 2.77Å; Q293-F295 HydrophobicContact CB-CD2 4.17Å; Q293-F295 HydrophobicContact CB-CE2 4.41Å; Q293-F295 HydrophobicContact CG-CD2 3.87Å; Q293-F295 HydrophobicContact CG-CE2 4.38Å
294T33.9Very low41.5Very low127 Ų127128.8 Ų128.878%0.77970%0.698SS**  -142.7137.559.441.20000111.8
295F29Very low42Very low148 Ų148127 Ų12765%0.64969%0.693SS**  cis70.5108.842-73-97000116Q293Q293-F295 HydrophobicContact CB-CD2 4.17Å; Q293-F295 HydrophobicContact CB-CE2 4.41Å; Q293-F295 HydrophobicContact CG-CD2 3.87Å; Q293-F295 HydrophobicContact CG-CE2 4.38Å
296Q31.1Very low43.1Very low171 Ų171126.5 Ų126.580%0.79970%0.698SS**  -160.7163103.6-85.6-158.6-74.800110.4
297E32.3Very low44.3Very low116 Ų116124 Ų12454%0.54269%0.691SS.*  cis-170.873.6-35.1-169.9161.8-171.700111.9S299E297-S299 WeakPolarHBondContact CG-OG 3.02Å
298D37.2Very low46.1Very low145 Ų145120.3 Ų120.378%0.77568%0.682SS**  trans-132.879.4175.1-47-89.5000106.8
299S36.8Very low47.3Very low70 Ų70115.9 Ų115.949%0.4966%0.661SS.*  cis64.492.645.4-74.20000112.9E297 S301E297-S299 WeakPolarHBondContact CG-OG 3.02Å; S299-S301 PolarHBondContact O-N 2.78Å
300D48.8Very low49.5Very low184 Ų184115 Ų11598%0.98465%0.653SS**SBendtrans-68.149.7164.1-57.9-69.3000111.6
301S37.8Very low52.4Low87 Ų87112.2 Ų112.261%0.60863%0.629SS**  trans-88.9134.9171.6-72.20000109.4S299 S303S299-S301 PolarHBondContact O-N 2.78Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 2.96Å
302T56.8Low54.3Low154 Ų154112.2 Ų112.295%0.94562%0.62SS**SBendtrans-61.984.6175.2159.20000111.7
303S55.7Low56.5Low86 Ų86109.9 Ų109.960%0.60161%0.606SS**SBendtrans-157.4157.5173.7-171.70000110.6S301 D305S301-S303 VanDerWaalsContact C-N 3.33Å; S301-S303 PolarHBondContact O-N 2.96Å; S303-D305 VanDerWaalsContact C-N 3.29Å; S303-D305 WeakPolarHBondContact CB-OD2 3.28Å; S303-D305 PolarHBondContact O-N 3.42Å; S303-D305 PolarHBondContact OG-OD2 2.9Å
304D54.4Low59.2Low114 Ų114109.8 Ų109.861%0.6160%0.601SS**SBendtrans-86.117.6-169-165.433.9000114.7G306 I307D304-G306 VanDerWaalsContact C-N 3.27Å; D304-G306 PolarHBondContact O-N 3.35Å; D304-G306 VanDerWaalsContact O-N 3.16Å; D304-I307 PolarHBondContact O-N 3.43Å; D304-I307 VanDerWaalsContact O-N 3.15Å
305D67Low61.8Low87 Ų87109.3 Ų109.347%0.46559%0.59SS.*Hα-helixtrans-67.4-21.4-166.9-69.2-84.2000114.8S303 I307 E308 E309S303-D305 VanDerWaalsContact C-N 3.29Å; S303-D305 WeakPolarHBondContact CB-OD2 3.28Å; S303-D305 PolarHBondContact O-N 3.42Å; S303-D305 PolarHBondContact OG-OD2 2.9Å; D305-I307 VanDerWaalsContact C-N 3.31Å; D305-I307 PolarHBondContact O-N 3.02Å; D305-E308 PolarHBondContact O-N 3.48Å; D305-E309 PolarHBondContact O-N 3.25Å
306G72.8Confident64.3Low59 Ų59108.4 Ų108.461%0.60859%0.591SS**Hα-helixtrans-65.2-31.1174.400000113.6D304 A310D304-G306 VanDerWaalsContact C-N 3.27Å; D304-G306 PolarHBondContact O-N 3.35Å; D304-G306 VanDerWaalsContact O-N 3.16Å; G306-A310 WeakPolarHBondContact O-CB 3.24Å; G306-A310 PolarHBondContact O-N 3Å
307I74.2Confident66.7Low93 Ų93106.2 Ų106.248%0.47758%0.581SS.*Hα-helixtrans-72.7-40.2174.5-77.6-175.4000110.6D304 D305 E309 A310 I311D304-I307 PolarHBondContact O-N 3.43Å; D304-I307 VanDerWaalsContact O-N 3.15Å; D305-I307 VanDerWaalsContact C-N 3.31Å; D305-I307 PolarHBondContact O-N 3.02Å; I307-E309 VanDerWaalsContact C-N 3.34Å; I307-E309 PolarHBondContact O-N 2.6Å; I307-A310 PolarHBondContact O-N 2.89Å; I307-I311 HydrophobicContact CG2-CD1 3.64Å; I307-I311 HydrophobicContact CG2-CG1 4.34Å; I307-I311 WeakPolarHBondContact O-CB 3.19Å; I307-I311 VanDerWaalsContact O-CG1 3.24Å; I307-I311 WeakPolarHBondContact O-CG1 3.24Å; I307-I311 PolarHBondContact O-N 3.37Å
308E77.6Confident69.1Low102 Ų102103.9 Ų103.948%0.47757%0.57SS.*Hα-helixtrans-61-41.7174.6-173.368.6-144.800110.8D305 I311 R312D305-E308 PolarHBondContact O-N 3.48Å; E308-I311 PolarHBondContact O-N 3.02Å; E308-R312 VanDerWaalsContact CG-NH1 3.34Å; E308-R312 VanDerWaalsContact O-CG 3.28Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.23Å
309E75.9Confident70.3Confident103 Ų103104.1 Ų104.148%0.48157%0.566SS.*Hα-helixtrans-65.7-42.3173.5-175.7147.3-91.700113.7D305 I307 I311 R312 S313D305-E309 PolarHBondContact O-N 3.25Å; I307-E309 VanDerWaalsContact C-N 3.34Å; I307-E309 PolarHBondContact O-N 2.6Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 3.36Å; E309-R312 VanDerWaalsContact CB-NH2 3.33Å; E309-R312 PolarHBondContact O-N 3.38Å; E309-R312 IonicContact OE1-NH2 3.95Å; E309-R312 PolarHBondContact OE1-NH2 2.87Å; E309-S313 VanDerWaalsContact O-CB 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.39Å; E309-S313 PolarHBondContact O-N 3.4Å; E309-S313 PolarHBondContact O-OG 2.89Å
310A83.1Confident71.6Confident58 Ų58107.7 Ų107.748%0.47957%0.573SS.*Hα-helixtrans-59.9-40.6175.600000111.3G306 I307 S313 Y314G306-A310 WeakPolarHBondContact O-CB 3.24Å; G306-A310 PolarHBondContact O-N 3Å; I307-A310 PolarHBondContact O-N 2.89Å; A310-S313 PolarHBondContact O-N 3.46Å; A310-Y314 WeakPolarHBondContact O-CB 3.34Å; A310-Y314 PolarHBondContact O-N 3.25Å
311I84.9Confident71.9Confident72 Ų72105.6 Ų105.637%0.36956%0.557SS.*Hα-helixtrans-66.1-47.5175.8-70.9168.9000111.1I307 E308 E309 S313 Y314 Q315I307-I311 HydrophobicContact CG2-CD1 3.64Å; I307-I311 HydrophobicContact CG2-CG1 4.34Å; I307-I311 WeakPolarHBondContact O-CB 3.19Å; I307-I311 VanDerWaalsContact O-CG1 3.24Å; I307-I311 WeakPolarHBondContact O-CG1 3.24Å; I307-I311 PolarHBondContact O-N 3.37Å; E308-I311 PolarHBondContact O-N 3.02Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 3.36Å; I311-S313 VanDerWaalsContact C-N 3.28Å; I311-S313 PolarHBondContact O-N 3.28Å; I311-Y314 PolarHBondContact O-N 2.96Å; I311-Q315 HydrophobicContact CG2-CG 4.38Å; I311-Q315 WeakPolarHBondContact O-CB 3.38Å; I311-Q315 VanDerWaalsContact O-CG 3.28Å; I311-Q315 WeakPolarHBondContact O-CG 3.17Å; I311-Q315 PolarHBondContact O-N 3.36Å
312R85.5Confident72.3Confident121 Ų121107.3 Ų107.346%0.45756%0.56SS.*Hα-helixtrans-55.7-44.6174.2-71-176-49.5-112.810.6111.2E308 E309 Q315 L316E308-R312 VanDerWaalsContact CG-NH1 3.34Å; E308-R312 VanDerWaalsContact O-CG 3.28Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.23Å; E309-R312 VanDerWaalsContact CB-NH2 3.33Å; E309-R312 PolarHBondContact O-N 3.38Å; E309-R312 IonicContact OE1-NH2 3.95Å; E309-R312 PolarHBondContact OE1-NH2 2.87Å; R312-Q315 PolarHBondContact O-N 2.88Å; R312-L316 WeakPolarHBondContact O-CB 3.4Å; R312-L316 PolarHBondContact O-N 2.9Å
313S82.1Confident71.5Confident66 Ų66102.3 Ų102.346%0.46253%0.531SS..Hα-helixtrans-65.9-45.5-179.7-62.50000112.2E309 A310 I311 L316 E317E309-S313 VanDerWaalsContact O-CB 3.32Å; E309-S313 WeakPolarHBondContact O-CB 3.39Å; E309-S313 PolarHBondContact O-N 3.4Å; E309-S313 PolarHBondContact O-OG 2.89Å; A310-S313 PolarHBondContact O-N 3.46Å; I311-S313 VanDerWaalsContact C-N 3.28Å; I311-S313 PolarHBondContact O-N 3.28Å; S313-L316 PolarHBondContact O-N 3.11Å; S313-E317 PolarHBondContact O-N 3.41Å
314Y87.1Confident71Confident142 Ų142104.6 Ų104.656%0.55754%0.544SS*.Hα-helixtrans-66-40176.8-178.9-111.5000112.5A310 I311 L316 E317 Q318A310-Y314 WeakPolarHBondContact O-CB 3.34Å; A310-Y314 PolarHBondContact O-N 3.25Å; I311-Y314 PolarHBondContact O-N 2.96Å; Y314-L316 VanDerWaalsContact C-N 3.33Å; Y314-L316 PolarHBondContact O-N 2.88Å; Y314-E317 PolarHBondContact O-N 3.34Å; Y314-Q318 HydrophobicContact CD1-CG 4.28Å; Y314-Q318 HydrophobicContact CD2-CG 4.48Å; Y314-Q318 HydrophobicContact CE1-CG 3.91Å; Y314-Q318 HydrophobicContact CE2-CG 4.13Å; Y314-Q318 WeakPolarHBondContact O-CB 3.32Å; Y314-Q318 VanDerWaalsContact O-CG 3.3Å; Y314-Q318 WeakPolarHBondContact O-CG 3.23Å; Y314-Q318 PolarHBondContact O-N 3.42Å; Y314-Q318 PolarHBondContact OH-NE2 3.38Å
315Q87.8Confident70.7Confident117 Ų117107.5 Ų107.555%0.54755%0.554SS.*Hα-helixtrans-63.5-38.5173.6-71.9-178.825.100112I311 R312 Q318 Q319I311-Q315 HydrophobicContact CG2-CG 4.38Å; I311-Q315 WeakPolarHBondContact O-CB 3.38Å; I311-Q315 VanDerWaalsContact O-CG 3.28Å; I311-Q315 WeakPolarHBondContact O-CG 3.17Å; I311-Q315 PolarHBondContact O-N 3.36Å; R312-Q315 PolarHBondContact O-N 2.88Å; Q315-Q318 PolarHBondContact O-N 3.31Å; Q315-Q319 PolarHBondContact O-N 2.87Å
316L82Confident69.4Low129 Ų129111.8 Ų111.868%0.67557%0.568SS**Hα-helixtrans-68-38.9176.2-166.570.7000111.9R312 S313 Y314 K320R312-L316 WeakPolarHBondContact O-CB 3.4Å; R312-L316 PolarHBondContact O-N 2.9Å; S313-L316 PolarHBondContact O-N 3.11Å; Y314-L316 VanDerWaalsContact C-N 3.33Å; Y314-L316 PolarHBondContact O-N 2.88Å; L316-K320 WeakPolarHBondContact O-CB 3.25Å; L316-K320 PolarHBondContact O-N 3.28Å
317E81.2Confident67.9Low126 Ų126118 Ų11859%0.58958%0.581SS**Hα-helixtrans-64.5-44.7171.5-179.2153.4-115.900111.7S313 Y314 Q319 K320 E321S313-E317 PolarHBondContact O-N 3.41Å; Y314-E317 PolarHBondContact O-N 3.34Å; E317-Q319 PolarHBondContact O-N 2.8Å; E317-K320 CarbonylContact O-C 3.53Å; E317-K320 WeakPolarHBondContact O-CA 3.18Å; E317-K320 WeakPolarHBondContact O-CB 3.45Å; E317-K320 PolarHBondContact O-N 3.2Å; E317-E321 PolarHBondContact O-N 2.92Å
318Q82.8Confident65.8Low66 Ų66120.7 Ų120.731%0.30860%0.596SS.*Hα-helixtrans-60.2-40.5175.9-77.4-77.425.500112.5Y314 Q315 K320 E321 N322Y314-Q318 HydrophobicContact CD1-CG 4.28Å; Y314-Q318 HydrophobicContact CD2-CG 4.48Å; Y314-Q318 HydrophobicContact CE1-CG 3.91Å; Y314-Q318 HydrophobicContact CE2-CG 4.13Å; Y314-Q318 WeakPolarHBondContact O-CB 3.32Å; Y314-Q318 VanDerWaalsContact O-CG 3.3Å; Y314-Q318 WeakPolarHBondContact O-CG 3.23Å; Y314-Q318 PolarHBondContact O-N 3.42Å; Y314-Q318 PolarHBondContact OH-NE2 3.38Å; Q315-Q318 PolarHBondContact O-N 3.31Å; Q318-K320 VanDerWaalsContact C-N 3.32Å; Q318-K320 PolarHBondContact O-N 3.43Å; Q318-E321 PolarHBondContact O-N 3.42Å; Q318-N322 VanDerWaalsContact O-CB 3.3Å; Q318-N322 WeakPolarHBondContact O-CB 3.45Å; Q318-N322 PolarHBondContact O-N 3.42Å; Q318-N322 PolarHBondContact O-ND2 2.85Å
319Q62.6Low63.4Low150 Ų150124.6 Ų124.670%0.70161%0.612SS**Hα-helixtrans-68.9-30.8173.2-69.7-159.327.400112.8Q315 E317 S323Q315-Q319 PolarHBondContact O-N 2.87Å; E317-Q319 PolarHBondContact O-N 2.8Å; Q319-S323 PolarHBondContact O-N 2.91Å
320K63.5Low61.1Low145 Ų145125.7 Ų125.763%0.6363%0.629SS**Hα-helixtrans-72.3-35.9176.4-167177.5-174.7178.20112.2L316 E317 Q318 S323L316-K320 WeakPolarHBondContact O-CB 3.25Å; L316-K320 PolarHBondContact O-N 3.28Å; E317-K320 CarbonylContact O-C 3.53Å; E317-K320 WeakPolarHBondContact O-CA 3.18Å; E317-K320 WeakPolarHBondContact O-CB 3.45Å; E317-K320 PolarHBondContact O-N 3.2Å; Q318-K320 VanDerWaalsContact C-N 3.32Å; Q318-K320 PolarHBondContact O-N 3.43Å; K320-S323 WeakPolarHBondContact O-CB 3.38Å; K320-S323 PolarHBondContact O-OG 3.05Å
321E55.9Low58.5Low140 Ų140132 Ų13265%0.65465%0.646SS**Hα-helixtrans-77.4-37.6174.3-175.9156.7-13600112.7E317 Q318 S323E317-E321 PolarHBondContact O-N 2.92Å; Q318-E321 PolarHBondContact O-N 3.42Å; E321-S323 PolarHBondContact O-N 3.03Å
322N46.2Very low56.2Low124 Ų124134.1 Ų134.166%0.66367%0.665SS**SBendtrans-72.3-2.3172.4-74.7-75.1000113.7Q318Q318-N322 VanDerWaalsContact O-CB 3.3Å; Q318-N322 WeakPolarHBondContact O-CB 3.45Å; Q318-N322 PolarHBondContact O-N 3.42Å; Q318-N322 PolarHBondContact O-ND2 2.85Å
323S38.7Very low53.6Low49 Ų49138.7 Ų138.734%0.34369%0.688SS.*SBendtrans-71.8130.7169.1790000110.7Q319 K320 E321 Q325Q319-S323 PolarHBondContact O-N 2.91Å; K320-S323 WeakPolarHBondContact O-CB 3.38Å; K320-S323 PolarHBondContact O-OG 3.05Å; E321-S323 PolarHBondContact O-N 3.03Å; S323-Q325 PolarHBondContact O-N 2.83Å
324P46.3Very low51.3Low134 Ų134139.9 Ų139.987%0.8770%0.702SS**THydrogen-bonded Turntrans-78.645.6-173.533.1-37.5000113.1
325Q46.8Very low49.5Very low175 Ų175138.3 Ų138.382%0.81871%0.709SS**THydrogen-bonded Turntrans-132.519.6-170.6-156.4157.1-13.300114.8S323S323-Q325 PolarHBondContact O-N 2.83Å
326K40.7Very low46.8Very low177 Ų177139.5 Ų139.577%0.7772%0.718SS**SBendtrans-114.521.6164.6-77.4-174.1179.7173.90114.4
327Q40.1Very low44.4Very low188 Ų188141.4 Ų141.488%0.87972%0.72SS**  trans-107.463.1176.5-161.3178.974.500113
328L30.7Very low41.9Very low151 Ų151143.2 Ų143.279%0.79173%0.733SS**  trans-160.888.1171.9-120.7168.5000112.8
329F27Very low39.3Very low183 Ų183144.2 Ų144.280%0.80375%0.753SS**  trans-170.372.8142.4-90.5-51.1000112.3
330C28.2Very low37.7Very low126 Ų126142.6 Ų142.685%0.85175%0.753SS**  trans-131.1122.3155.7-91.80000108.3
331K29Very low36.2Very low190 Ų190144.1 Ų144.183%0.82676%0.762SS**  trans-111.6107.8-178.8-75.4-176.9178.8174.70111.2
332P35.7Very low34.8Very low118 Ų118141 Ų14177%0.76676%0.76SS**  trans-65.3162.3153.3-16.832000110.9
333K32Very low33.9Very low216 Ų216142 Ų14294%0.93977%0.771SS**  trans-73.7151.7173.5-67.3176.2179.8174.90110.8
334A33.8Very low33.5Very low91 Ų91143.6 Ų143.675%0.75280%0.796SS**  trans-111.1-174.7-166.400000112.4
335P49.6Very low32.5Very low109 Ų109142.4 Ų142.471%0.70879%0.79SS**  -131.9-175.5-50.735.3-20000112.2
336I29.3Very low31.6Very low143 Ų143139.2 Ų139.273%0.73378%0.783SS**  trans-155.4110.6143.4-108.9152.1000114
337K32.3Very low31.1Very low168 Ų168137.9 Ų137.973%0.7378%0.784SS**  trans56.9136.6139.8-66-164.5174.5-165.30124.8
338L29.6Very low30.6Very low164 Ų164134.7 Ų134.786%0.85978%0.783SS**  trans74.3143.4147.7-67161.2000117.6
339A27.8Very low30.7Very low88 Ų88134.8 Ų134.873%0.72778%0.784SS**  cis-150.2155-11.800000113.2
340V29Very low30.9Very low116 Ų116133.3 Ų133.370%0.70378%0.784SS**  trans-50.1163.2-177-150.50000117.3
341H31.4Very low31.2Very low176 Ų176131.5 Ų131.582%0.81577%0.769SS**  trans84.7142.3161.3-55.2-64.5000117.9
342A27.3Very low31.4Very low75 Ų75130.3 Ų130.362%0.6276%0.764SS**  cis-164159.5-17.500000112
343T27.6Very low31.5Very low144 Ų144133.2 Ų133.288%0.88377%0.765SS**  trans31.2121.914856.70000120.9
344G29Very low31.6Very low84 Ų84130.5 Ų130.587%0.86676%0.761SS**  trans-176.3123.2158.300000110.9
345S26.3Very low31.5Very low108 Ų108135 Ų13576%0.75576%0.763SS**  trans-118.3172.8-177.9-164.10000111.6
346T27.7Very low30.9Very low108 Ų108136.7 Ų136.766%0.66377%0.765SS**  trans64.5125.7165.154.90000119.7
347N29Very low31.2Very low150 Ų150137.9 Ų137.980%0.80277%0.765SS**  trans58.7132132.3-51.64.4000120.6
348S31.1Very low31.4Very low121 Ų121140.5 Ų140.585%0.84677%0.771SS**  trans-15790.2156.6177.80000111.2
349D32.5Very low31.6Very low153 Ų153141.8 Ų141.882%0.81877%0.769SS**  trans-80.5129.4167.9-76.9-59.1000112.2
350D31.4Very low32Very low151 Ų151147 Ų14781%0.80778%0.775SS**  trans69.1168.7138.6-158.418.4000121.2
351V34.6Very low32Very low89 Ų89148.4 Ų148.454%0.53978%0.784SS.*  trans90.198.7154.8-173.40000120.8
352K33.2Very low32.1Very low164 Ų164149.1 Ų149.171%0.71379%0.785SS**  trans64.6120136.3-64.2170.2-163.4145.30123
353K37.7Very low33.3Very low179 Ų179151.4 Ų151.478%0.77879%0.793SS**  49.5125.4121.6-54.2172.8-176.3179.30120.1
354N33.7Very low33.3Very low160 Ų160147.9 Ų147.986%0.85679%0.786SS**  -171.6-175.3109.9-99.3-42.5000115.1
355K31.6Very low33.8Very low186 Ų186153.1 Ų153.181%0.80979%0.785SS**  trans-111.3-167.9-162-55.7177.1179.7176.20113.7
356L36.7Very low34.2Very low143 Ų143155.4 Ų155.475%0.74978%0.783SS**  trans96.5147.8159.3-47176.5000116.2
357K35.1Very low34.3Very low168 Ų168156.1 Ų156.173%0.7379%0.788SS**  cis-170.5137.9-24-114.4178-170.4163.90112.2
358R37.2Very low34.4Very low224 Ų224157.1 Ų157.185%0.84579%0.788SS**  trans68.7171.4156-50.1164.5105.9177.35.8115.9
359K34.6Very low34.1Very low191 Ų191155.9 Ų155.983%0.8378%0.779SS**  cis-149.6174.13-152.3-177.7176-172.70111.6
360K34.7Very low34.7Very low197 Ų197153.8 Ų153.886%0.85777%0.774SS**  trans-77.4166.5-177.9-52.6175.2177.2179.30115.6
361V29.6Very low34.7Very low145 Ų145155.6 Ų155.688%0.87978%0.775SS**  -168.8163.7125.8139.30000113.5
362K33.5Very low34.5Very low192 Ų192157.1 Ų157.184%0.83578%0.784SS**  trans-170.2-178.9-177.5-121.7-174.5179.7-175.50107.8
363P52.5Low34.2Very low122 Ų122154.9 Ų154.979%0.79279%0.789SS**  cis-140.3-170.7-22.643-24.3000115.7
364G26.8Very low33.9Very low71 Ų71155.2 Ų155.273%0.73279%0.79SS**  trans162.7140.1159.800000112.1
365K39.9Very low34.3Very low193 Ų193153 Ų15384%0.83978%0.784SS**  cis98.9139.331.3-87.7-167.5169.9-166.70113.2
366Q34.5Very low34.5Very low156 Ų156152.8 Ų152.873%0.72978%0.784SS**  cis-161.4-176.311.4-155.8162.4-26.100113.6
367T30.7Very low34Very low123 Ų123151.4 Ų151.476%0.75578%0.781SS**  trans88141.2158.2-55.10000117.7
368Q30.6Very low33.8Very low172 Ų172148 Ų14880%0.80478%0.779SS**  cis-154.2-115-22.1-174.9159.3-36.600114.6
369S25.1Very low33.4Very low95 Ų95144.2 Ų144.266%0.66477%0.774SS**  trans-171.7-168.6-163.659.80000111.1
370P45.9Very low33.1Very low109 Ų109139.3 Ų139.371%0.70876%0.764SS**  cis-150-157.59.546.1-22.5000118.6
371F31.6Very low32.7Very low188 Ų188138.9 Ų138.983%0.82576%0.763SS**  trans73.692.6153.9-93.7-86.4000127.4
372V30Very low32.7Very low122 Ų122138.6 Ų138.674%0.73976%0.756SS**  trans52.5112.2131.1-173.90000123.8
373S26.7Very low32.9Very low116 Ų116134.5 Ų134.581%0.81175%0.749SS**  -173.2177.410851.30000111.6
374K31.6Very low31.7Very low187 Ų187137.8 Ų137.881%0.81375%0.751SS**  trans-153.6156.4-169.9-112.7176.9-174.3174.90109.8
375P41.5Very low31.7Very low112 Ų112143.1 Ų143.173%0.72776%0.761SS**  -145.3147.859.137.7-18.1000119.6
376K36.8Very low31.2Very low182 Ų182143.6 Ų143.679%0.79176%0.763SS**  trans53.4134.7135.7-64.7-169175.5-177.80120.7
377T25.7Very low30.9Very low115 Ų115139.1 Ų139.171%0.70676%0.758SS**  cis-165.3172-3.560000107.8
378S29.4Very low30.8Very low97 Ų97141.3 Ų141.368%0.67877%0.766SS**  cis-158.6149.5-431.90000106.5
379L29Very low30.5Very low143 Ų143136.9 Ų136.975%0.74977%0.766SS**  cis81.4128.834.4-61.5177000115.5
380S28.2Very low30.5Very low88 Ų88140.4 Ų140.462%0.61578%0.776SS**  cis-178.8132.8-24.240.90000114.3
381F26.9Very low30.1Very low189 Ų189140.3 Ų140.383%0.82978%0.776SS**  trans40.7131.1137.8-70.2-69.2000126.1
382N29.6Very low29.7Very low138 Ų138136.7 Ų136.774%0.73877%0.774SS**  trans70171.1135.1-84.5-48.3000120.8
383P38.9Very low29.4Very low107 Ų107136.4 Ų136.470%0.69578%0.777SS**  cis-137.6166-5.433-11.6000119.2
384K27.1Very low29.4Very low191 Ų191139.5 Ų139.583%0.8378%0.776SS**  trans21.2141.7142.1-56.4173.8-179.9173.70123.7
385I26Very low29.1Very low183 Ų183135.4 Ų135.494%0.93878%0.778SS**  -173.1175126.3-98.9158.2000112.5
386K29.7Very low28.4Very low203 Ų203137.9 Ų137.988%0.88378%0.779SS**  trans-150.6146.1-162.8170.6176.2178.1170.10116
387G27.6Very low27.9Very low61 Ų61135.9 Ų135.963%0.62978%0.782SS**  trans120.6153.2159.800000115.1
388N28.2Very low28Very low170 Ų170139.9 Ų139.991%0.90979%0.79SS**  cis-157.6147.6-3.8-88-13.7000110
389G25.8Very low27.9Very low78 Ų78144.4 Ų144.480%0.80480%0.8SS**  trans175.4144.3170.900000113.7
390L25.6Very low28Very low169 Ų169146.2 Ų146.289%0.88581%0.805SS**  trans-154.5158.5-176-147.453000106.6
391P35.9Very low28.1Very low108 Ų108147.6 Ų147.670%0.70182%0.815SS**  cis-147.8167.224.944.7-25.4000120.6
392S22.9Very low28.3Very low112 Ų112142.8 Ų142.878%0.78381%0.81SS**  trans52.8116.7138.3-174.60000119.5
393S23.9Very low28.7Very low116 Ų116142.1 Ų142.181%0.81181%0.813SS**  -143.9174.784.8560000115
394K26.8Very low28.5Very low180 Ų180141.2 Ų141.278%0.78381%0.814SS**  trans-103.7143.6169-86.1-168.5165.7-147.30110.1E396K394-E396 IonicContact NZ-OE2 3.7Å
395A26.5Very low29.2Very low102 Ų102138 Ų13884%0.84381%0.813SS**  trans-141.4146138.300000107.6
396E25.2Very low30Very low164 Ų164134 Ų13477%0.76680%0.801SS**  trans-142.5102.6-174.6-179.7177.917700107.6K394K394-E396 IonicContact NZ-OE2 3.7Å
397T26.7Very low31.2Very low139 Ų139134.2 Ų134.285%0.85380%0.802SS**  trans-135.7136.9178.4-53.90000108.7
398K28.9Very low32.5Very low199 Ų199135 Ų13587%0.86580%0.795SS**  trans-82.3137.2176.4-56164.7-173.9167.60108.3
399E27.5Very low34Very low192 Ų192133.2 Ų133.290%0.89779%0.785SS**  trans-107.9142155.4-165.5165.5-148.400108.4
400Q30.6Very low36.3Very low182 Ų182133.7 Ų133.785%0.8577%0.773SS**  trans-87.6144.3-169.7-72.8158.6-90.900111A402Q400-A402 PolarHBondContact O-N 3.37Å; Q400-A402 VanDerWaalsContact O-N 3.16Å
401S30.4Very low39.1Very low117 Ų117130.6 Ų130.682%0.81876%0.761SS**  trans-65.5113.8171.754.10000110.5
402A29.7Very low41.5Very low88 Ų88127.8 Ų127.873%0.72775%0.747SS**PPolyproline II helixtrans-54.5144.3159.800000109.7Q400Q400-A402 PolarHBondContact O-N 3.37Å; Q400-A402 VanDerWaalsContact O-N 3.16Å
403P38.2Very low44.6Very low124 Ų124127.8 Ų127.881%0.80573%0.734SS**PPolyproline II helixtrans-66.2142.7-173.627-34.5000111.5
404A35.2Very low47.9Very low87 Ų87127.4 Ų127.472%0.71972%0.723SS**PPolyproline II helixtrans-62.2144.6173.100000110.5S406A404-S406 PolarHBondContact O-N 3.4Å
405P42.3Very low50.9Low124 Ų124124.1 Ų124.181%0.80571%0.711SS**PPolyproline II helixtrans-56.8137.2170.925.4-34000109.4
406S41.8Very low54Low98 Ų98123 Ų12369%0.68570%0.697SS**PPolyproline II helixtrans-59.2143.4176.550.60000109.9A404 V408A404-S406 PolarHBondContact O-N 3.4Å; S406-V408 PolarHBondContact O-N 2.87Å
407K56.2Low57.3Low208 Ų208117.2 Ų117.290%0.90468%0.677SS**  trans-74.677.2172.5-73.1-177.1177.2178.30109.4
408V53.8Low60.3Low79 Ų79116.5 Ų116.548%0.47966%0.664SS.*  trans-57143.2167.3-1770000108.4S406 T410 E413S406-V408 PolarHBondContact O-N 2.87Å; V408-T410 VanDerWaalsContact C-N 3.32Å; V408-T410 PolarHBondContact O-N 2.85Å; V408-T410 PolarHBondContact O-OG1 3.49Å; V408-E413 WeakPolarHBondContact CG1-OE2 3.49Å
409N60.6Low63.3Low132 Ų132109.4 Ų109.471%0.70664%0.642SS**  trans-68.388.9-175.1-78.6-50.7000110.6T411 A412 E413N409-T411 PolarHBondContact O-N 3.05Å; N409-A412 HydrophobicContact CB-CB 4.48Å; N409-A412 PolarHBondContact O-N 3.49Å; N409-E413 PolarHBondContact O-N 3.39Å
410T72.9Confident66.5Low88 Ų88105.4 Ų105.454%0.5463%0.626SS.*Hα-helixtrans-56.2-32.8-166.3-33.80000112.7V408 E413 L414V408-T410 VanDerWaalsContact C-N 3.32Å; V408-T410 PolarHBondContact O-N 2.85Å; V408-T410 PolarHBondContact O-OG1 3.49Å; T410-E413 PolarHBondContact O-N 3.27Å; T410-L414 HydrophobicContact CG2-CD1 4.01Å; T410-L414 HydrophobicContact CG2-CG 4.32Å; T410-L414 VanDerWaalsContact O-CB 3.24Å; T410-L414 WeakPolarHBondContact O-CB 3.49Å; T410-L414 WeakPolarHBondContact O-CD1 3.39Å; T410-L414 WeakPolarHBondContact O-CG 3.39Å; T410-L414 PolarHBondContact O-N 2.82Å
411T84.4Confident69.4Low104 Ų104102.2 Ų102.264%0.63861%0.614SS**Hα-helixtrans-64.1-39.6175.7-440000112.9N409 M415N409-T411 PolarHBondContact O-N 3.05Å; T411-M415 HydrophobicContact CG2-CE 4.4Å; T411-M415 WeakPolarHBondContact O-CB 3.27Å; T411-M415 VanDerWaalsContact O-CG 3.3Å; T411-M415 WeakPolarHBondContact O-CG 3.37Å; T411-M415 PolarHBondContact O-N 2.99Å
412A87.3Confident72.3Confident49 Ų49100.6 Ų100.641%0.40560%0.596SS.*Hα-helixtrans-72.4-40.7178.600000111.1N409 M415 C416N409-A412 HydrophobicContact CB-CB 4.48Å; N409-A412 PolarHBondContact O-N 3.49Å; A412-M415 PolarHBondContact O-N 3.29Å; A412-C416 PolarHBondContact O-N 3.27Å; A412-C416 PolarHBondContact O-SG 3.42Å; A412-C416 VanDerWaalsContact O-SG 3.33Å
413E87.9Confident75.1Confident112 Ų112101.5 Ų101.552%0.52359%0.588SS.*Hα-helixtrans-63.4-42.3175.4-168.1173.5179.400111.8V408 N409 T410 C416 A417V408-E413 WeakPolarHBondContact CG1-OE2 3.49Å; N409-E413 PolarHBondContact O-N 3.39Å; T410-E413 PolarHBondContact O-N 3.27Å; E413-C416 PolarHBondContact O-N 2.87Å; E413-A417 WeakPolarHBondContact O-CB 3.49Å; E413-A417 PolarHBondContact O-N 3.41Å
414L92.1Very high77Confident108 Ų10898.2 Ų98.257%0.56557%0.568SS**Hα-helixtrans-66.5-41.3174.3-73.7169.3000112.7T410 C416 A417 E418T410-L414 HydrophobicContact CG2-CD1 4.01Å; T410-L414 HydrophobicContact CG2-CG 4.32Å; T410-L414 VanDerWaalsContact O-CB 3.24Å; T410-L414 WeakPolarHBondContact O-CB 3.49Å; T410-L414 WeakPolarHBondContact O-CD1 3.39Å; T410-L414 WeakPolarHBondContact O-CG 3.39Å; T410-L414 PolarHBondContact O-N 2.82Å; L414-C416 VanDerWaalsContact C-N 3.32Å; L414-C416 PolarHBondContact O-N 2.99Å; L414-A417 PolarHBondContact O-N 2.87Å; L414-E418 VanDerWaalsContact O-CB 3.31Å; L414-E418 WeakPolarHBondContact O-CB 3.46Å; L414-E418 PolarHBondContact O-N 3.28Å
415M91Very high79.2Confident110 Ų110101.6 Ų101.654%0.54257%0.566SS.*Hα-helixtrans-64.1-36.7174.1-74.8-175.1-57.100112.1T411 A412 A419T411-M415 HydrophobicContact CG2-CE 4.4Å; T411-M415 WeakPolarHBondContact O-CB 3.27Å; T411-M415 VanDerWaalsContact O-CG 3.3Å; T411-M415 WeakPolarHBondContact O-CG 3.37Å; T411-M415 PolarHBondContact O-N 2.99Å; A412-M415 PolarHBondContact O-N 3.29Å; M415-A419 WeakPolarHBondContact O-CB 3.33Å; M415-A419 PolarHBondContact O-N 3.21Å
416C91.2Very high80.8Confident79 Ų79101.3 Ų101.353%0.53456%0.563SS.*Hα-helixtrans-66.4-42.7172.5-72.30000111.7A412 E413 L414 A419 I420A412-C416 PolarHBondContact O-N 3.27Å; A412-C416 PolarHBondContact O-SG 3.42Å; A412-C416 VanDerWaalsContact O-SG 3.33Å; E413-C416 PolarHBondContact O-N 2.87Å; L414-C416 VanDerWaalsContact C-N 3.32Å; L414-C416 PolarHBondContact O-N 2.99Å; C416-A419 PolarHBondContact O-N 3.03Å; C416-I420 WeakPolarHBondContact O-CB 3.4Å; C416-I420 WeakPolarHBondContact O-CD1 3.28Å; C416-I420 WeakPolarHBondContact O-CG1 3.33Å; C416-I420 PolarHBondContact O-N 3.2Å
417A93.7Very high82.3Confident43 Ų43101.9 Ų101.936%0.35556%0.561SS.*Hα-helixtrans-64.4-41.8176.300000112.2E413 L414 I420 L421E413-A417 WeakPolarHBondContact O-CB 3.49Å; E413-A417 PolarHBondContact O-N 3.41Å; L414-A417 PolarHBondContact O-N 2.87Å; A417-I420 PolarHBondContact O-N 3.47Å; A417-L421 WeakPolarHBondContact O-CB 3.43Å; A417-L421 VanDerWaalsContact O-CG 3.25Å; A417-L421 WeakPolarHBondContact O-CG 3.15Å; A417-L421 PolarHBondContact O-N 3Å
418E89.9Confident82.3Confident124 Ų12498.4 Ų98.458%0.57955%0.55SS*.Hα-helixtrans-61.8-47.2175-174.7169.2-143.100111.1L414 I420 L421 D422L414-E418 VanDerWaalsContact O-CB 3.31Å; L414-E418 WeakPolarHBondContact O-CB 3.46Å; L414-E418 PolarHBondContact O-N 3.28Å; E418-I420 PolarHBondContact O-N 3.11Å; E418-L421 PolarHBondContact O-N 3.01Å; E418-D422 PolarHBondContact O-N 2.91Å
419A93.8Very high82.4Confident50 Ų50100.2 Ų100.241%0.41356%0.563SS.*Hα-helixtrans-61.9-40.5175.300000112.9M415 C416 L421 I423M415-A419 WeakPolarHBondContact O-CB 3.33Å; M415-A419 PolarHBondContact O-N 3.21Å; C416-A419 PolarHBondContact O-N 3.03Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-I423 WeakPolarHBondContact O-CB 3.4Å; A419-I423 WeakPolarHBondContact O-CD1 3.22Å; A419-I423 VanDerWaalsContact O-CG1 3.23Å; A419-I423 WeakPolarHBondContact O-CG1 3.28Å; A419-I423 PolarHBondContact O-N 3.45Å
420I93.2Very high82Confident107 Ų10796.8 Ų96.855%0.54956%0.56SS.*Hα-helixtrans-64.5-40174.8-71.1164000110.7C416 A417 E418 S424C416-I420 WeakPolarHBondContact O-CB 3.4Å; C416-I420 WeakPolarHBondContact O-CD1 3.28Å; C416-I420 WeakPolarHBondContact O-CG1 3.33Å; C416-I420 PolarHBondContact O-N 3.2Å; A417-I420 PolarHBondContact O-N 3.47Å; E418-I420 PolarHBondContact O-N 3.11Å; I420-S424 WeakPolarHBondContact O-CB 3.49Å; I420-S424 PolarHBondContact O-N 3.49Å; I420-S424 PolarHBondContact O-OG 3.33Å
421L91.9Very high80.8Confident116 Ų11696.8 Ų96.861%0.60757%0.568SS**Hα-helixtrans-68.7-40.5178.2-74.6169.7000112.2A417 E418 A419 S424 K425A417-L421 WeakPolarHBondContact O-CB 3.43Å; A417-L421 VanDerWaalsContact O-CG 3.25Å; A417-L421 WeakPolarHBondContact O-CG 3.15Å; A417-L421 PolarHBondContact O-N 3Å; E418-L421 PolarHBondContact O-N 3.01Å; A419-L421 VanDerWaalsContact C-N 3.34Å; L421-S424 WeakPolarHBondContact O-CB 3.28Å; L421-S424 PolarHBondContact O-N 3.15Å; L421-K425 WeakPolarHBondContact O-CB 3.28Å; L421-K425 PolarHBondContact O-N 3.27Å
422D92.2Very high78.7Confident83 Ų83101.7 Ų101.744%0.44458%0.581SS.*Hα-helixtrans-70.3-35.5176-88.4-17.4000112.7E418 K425 T426E418-D422 PolarHBondContact O-N 2.91Å; D422-K425 PolarHBondContact O-N 2.87Å; D422-K425 IonicContact OD1-NZ 3.63Å; D422-T426 WeakPolarHBondContact O-CG2 3.13Å; D422-T426 PolarHBondContact O-N 3.41Å; D422-T426 PolarHBondContact O-OG1 3.23Å
423I88.3Confident76.6Confident106 Ų106108.1 Ų108.154%0.54460%0.602SS.*Hα-helixtrans-62.8-46.7168.7-67.8164.6000109.8A419 K425 T426 V427A419-I423 WeakPolarHBondContact O-CB 3.4Å; A419-I423 WeakPolarHBondContact O-CD1 3.22Å; A419-I423 VanDerWaalsContact O-CG1 3.23Å; A419-I423 WeakPolarHBondContact O-CG1 3.28Å; A419-I423 PolarHBondContact O-N 3.45Å; I423-K425 VanDerWaalsContact C-N 3.3Å; I423-K425 PolarHBondContact O-N 2.96Å; I423-T426 WeakPolarHBondContact CA-OG1 3.36Å; I423-T426 PolarHBondContact O-N 3.5Å; I423-T426 PolarHBondContact O-OG1 2.89Å; I423-T426 VanDerWaalsContact O-OG1 3.04Å; I423-V427 HydrophobicContact CG2-CG2 4.26Å; I423-V427 WeakPolarHBondContact O-CB 3.01Å; I423-V427 VanDerWaalsContact O-CG2 3.3Å; I423-V427 WeakPolarHBondContact O-CG2 3.46Å; I423-V427 PolarHBondContact O-N 2.66Å
424S77.9Confident74.5Confident55 Ų55109.9 Ų109.939%0.38561%0.611SS.*Hα-helixtrans-59.7-41.6177.8-57.80000112I420 L421 T426 V427 M428I420-S424 WeakPolarHBondContact O-CB 3.49Å; I420-S424 PolarHBondContact O-N 3.49Å; I420-S424 PolarHBondContact O-OG 3.33Å; L421-S424 WeakPolarHBondContact O-CB 3.28Å; L421-S424 PolarHBondContact O-N 3.15Å; S424-T426 VanDerWaalsContact C-N 3.32Å; S424-T426 PolarHBondContact O-N 3.04Å; S424-V427 PolarHBondContact O-N 3.44Å; S424-M428 VanDerWaalsContact O-CB 3.28Å; S424-M428 WeakPolarHBondContact O-CB 3.49Å; S424-M428 WeakPolarHBondContact O-CG 3.16Å; S424-M428 PolarHBondContact O-N 3.05Å
425K81.8Confident71.8Confident159 Ų159108.3 Ų108.369%0.69162%0.62SS**Hα-helixtrans-74.1-17.8-179-178.2178.7167.2-160.80114L421 D422 I423L421-K425 WeakPolarHBondContact O-CB 3.28Å; L421-K425 PolarHBondContact O-N 3.27Å; D422-K425 PolarHBondContact O-N 2.87Å; D422-K425 IonicContact OD1-NZ 3.63Å; I423-K425 VanDerWaalsContact C-N 3.3Å; I423-K425 PolarHBondContact O-N 2.96Å
426T75.9Confident69.5Low118 Ų118110.3 Ų110.372%0.72463%0.632SS**Hα-helixtrans-96.3-23.3172.246.90000113D422 I423 S424D422-T426 WeakPolarHBondContact O-CG2 3.13Å; D422-T426 PolarHBondContact O-N 3.41Å; D422-T426 PolarHBondContact O-OG1 3.23Å; I423-T426 WeakPolarHBondContact CA-OG1 3.36Å; I423-T426 PolarHBondContact O-N 3.5Å; I423-T426 PolarHBondContact O-OG1 2.89Å; I423-T426 VanDerWaalsContact O-OG1 3.04Å; S424-T426 VanDerWaalsContact C-N 3.32Å; S424-T426 PolarHBondContact O-N 3.04Å
427V72.4Confident66.6Low109 Ų109110 Ų11066%0.66164%0.642SS**Hα-helixtrans-90.6-28.3177.4174.50000112.9I423 S424 P429I423-V427 HydrophobicContact CG2-CG2 4.26Å; I423-V427 WeakPolarHBondContact O-CB 3.01Å; I423-V427 VanDerWaalsContact O-CG2 3.3Å; I423-V427 WeakPolarHBondContact O-CG2 3.46Å; I423-V427 PolarHBondContact O-N 2.66Å; S424-V427 PolarHBondContact O-N 3.44Å; V427-P429 WeakPolarHBondContact O-CD 3.28Å
428M56.5Low64Low135 Ų135116.2 Ų116.267%0.66567%0.668SS**SBendtrans-73.7124.8173.9-74.3-61.6-61.900111.6S424 G430S424-M428 VanDerWaalsContact O-CB 3.28Å; S424-M428 WeakPolarHBondContact O-CB 3.49Å; S424-M428 WeakPolarHBondContact O-CG 3.16Å; S424-M428 PolarHBondContact O-N 3.05Å; M428-G430 PolarHBondContact O-N 3.26Å
429P56.5Low61.2Low117 Ų117113.8 Ų113.876%0.7668%0.676SS**PPolyproline II helixtrans-58.9127.8171.1-23.534.6000111V427 A431V427-P429 WeakPolarHBondContact O-CD 3.28Å; P429-A431 PolarHBondContact O-N 3.44Å
430G51.9Low58.3Low61 Ų61118 Ų11863%0.62970%0.697SS**PPolyproline II helixtrans-62.3130.1-174.800000112.9M428 F432M428-G430 PolarHBondContact O-N 3.26Å; G430-F432 PolarHBondContact O-N 3.06Å
431A47.4Very low55.2Low87 Ų87118.5 Ų118.572%0.71971%0.709SS**PPolyproline II helixtrans-67.4117.3175.200000110.7P429 H433P429-A431 PolarHBondContact O-N 3.44Å; A431-H433 PolarHBondContact O-N 2.89Å
432F39.1Very low52.3Low208 Ų208117.2 Ų117.291%0.91272%0.715SS**PPolyproline II helixtrans-68.2116.8-179.8-68.1-87.9000111.4G430G430-F432 PolarHBondContact O-N 3.06Å
433H43.9Very low50.6Low183 Ų183119.3 Ų119.385%0.84773%0.733SS**PPolyproline II helixtrans-99.8132.9165.1-78.4-79.7000110.4A431A431-H433 PolarHBondContact O-N 2.89Å
434Q44.3Very low47.6Very low150 Ų150119 Ų11970%0.70175%0.747SS**PPolyproline II helixtrans-97131.6-170.8-154.1166.810.600110.2E875Q434-E875 PolarHBondContact NE2-OE2 3.14Å
435G34.5Very low45.5Very low74 Ų74125.2 Ų125.276%0.76377%0.769SS**  trans-154.7144.5-176.700000112.1
436I42.9Very low44.1Very low153 Ų153122.6 Ų122.679%0.78577%0.769SS**  trans-110.2146.3-157.8-62.1162.9000112.2
437G31.2Very low41.7Very low73 Ų73122.5 Ų122.575%0.75377%0.773SS**  trans-148.1136.3165.200000111.9
438L37.7Very low39.7Very low173 Ų173122.9 Ų122.991%0.90678%0.776SS**  trans-119.8154.2-175.9-74.9167.9000112.1
439G31.4Very low38.4Very low72 Ų72124.6 Ų124.674%0.74278%0.784SS**  trans-151.5162.3174.500000111.3
440T32.6Very low36.9Very low140 Ų140123.4 Ų123.486%0.85978%0.778SS**  trans-136.1148.9-150.6-41.20000114.1
441C28.2Very low35.6Very low116 Ų116125 Ų12578%0.78478%0.78SS**  136.7111126.3-147.90000118.5
442A31.4Very low34.5Very low90 Ų90128.8 Ų128.874%0.74479%0.787SS**  trans64.4155.413800000124.3
443P56.5Low34.7Very low127 Ų127124.3 Ų124.383%0.82578%0.779SS**  trans-134.5-177.2-160.843.3-24.5000117.5
444A26Very low33.8Very low100 Ų100121.4 Ų121.483%0.82677%0.77SS**  trans-142170.316300000111.4
445Q32.8Very low32.9Very low185 Ų185123.5 Ų123.586%0.86477%0.771SS**  trans-118.5166.5-161.1-81.3-83.8-38.100115.7
446P53.8Low32.5Very low104 Ų104126.6 Ų126.668%0.67577%0.765SS**  trans-114-170.3-162.543.8-34.8000116.2
447S24Very low32.1Very low116 Ų116129.9 Ų129.981%0.81177%0.768SS**  trans-155.5178.4167.9-75.80000112.5
448T31.3Very low32Very low117 Ų117135 Ų13572%0.71877%0.766SS**  -148.7161.1-129.80.40000117.6
449M28.9Very low31.9Very low171 Ų171133.7 Ų133.784%0.84276%0.755SS**  trans72.5158.1158.1-64.3-62141.100118.6
450S25.5Very low32.2Very low91 Ų91138.6 Ų138.664%0.63676%0.758SS**  cis-171.1156-15.9169.20000112.4
451S24.3Very low32.5Very low94 Ų94136.2 Ų136.266%0.65775%0.748SS**  trans58.4120.9154.346.40000121
452L24.8Very low33.6Very low167 Ų167137.4 Ų137.487%0.87475%0.746SS**  78.3151.868.1-77.2167.9000114.7
453P43.3Very low34.4Very low115 Ų115140.5 Ų140.575%0.74775%0.75SS**  cis-142175.521.145.3-27.6000119.7
454D23.8Very low34Very low121 Ų121139.8 Ų139.865%0.64775%0.748SS**  trans57.1127.1146.8-15249.1000119.9
455R25.1Very low35.1Very low195 Ų195140.4 Ų140.474%0.73675%0.746SS**  -167.9122.557.5-169.2166.2-172-179.73.9117.2
456H27.1Very low35.8Very low138 Ų138139.8 Ų139.864%0.63975%0.747SS**  trans54.5129.4161.3-66.1-37.4000119.4
457R34.2Very low35.7Very low222 Ų222141.7 Ų141.784%0.83875%0.752SS**  cis-137.8138.1-2.7-60-171.1179.8177.3-0.2107.3
458Y29.4Very low37Very low182 Ų182140.3 Ų140.371%0.71474%0.742SS**  52.8117.669.9-75-109.8000111.2
459E34.9Very low38.3Very low145 Ų145142.3 Ų142.368%0.67874%0.743SS**  cis-146.4151.912.1-65-64.3-139.900107.5
460E38.1Very low40.2Very low174 Ų174138 Ų13881%0.81372%0.724SS**  cis62.3116.82.7-65.1-167.182.100118
461S40.1Very low42.8Very low90 Ų90135.5 Ų135.563%0.62971%0.712SS**  cis-158.7159.12.872.20000112.4
462N49.5Very low45.3Very low141 Ų141136 Ų13675%0.75471%0.706SS**  trans69.7163.7153.3-62.3-47.2000121.6
463D48.6Very low48.2Very low156 Ų156133 Ų13383%0.83469%0.688SS**  trans7451.2160.8-59.9-11.6000121.4
464S47.7Very low50Low111 Ų111132.6 Ų132.678%0.77668%0.676SS**  trans-149.945.6144.277.10000114.1I466S464-I466 VanDerWaalsContact C-N 3.34Å; S464-I466 PolarHBondContact O-N 3.29Å
465S49.1Very low53.2Low113 Ų113133.3 Ų133.379%0.7968%0.676SS**THydrogen-bonded Turntrans-73.574.3-176.461.60000113.8
466I48.1Very low56.4Low172 Ų172128.5 Ų128.588%0.88266%0.664SS**THydrogen-bonded Turntrans-145.5-1.5169.8-138.6164000115S464S464-I466 VanDerWaalsContact C-N 3.34Å; S464-I466 PolarHBondContact O-N 3.29Å
467D52.6Low59.5Low145 Ų145127.3 Ų127.378%0.77565%0.653SS**  trans-125.197.1173.2-169.16.3000108.9
468S51.7Low62.3Low86 Ų86123.7 Ų123.760%0.60164%0.644SS**  trans-159.364.4-173.8-66.20000110.7D470 G471S468-D470 PolarHBondContact O-N 3.36Å; S468-G471 PolarHBondContact O-N 3.28Å
469E58.1Low65.3Low159 Ų159120.5 Ų120.574%0.74363%0.634SS**THydrogen-bonded Turntrans-56.7-26170.5-169.8163.7-154.400112G471 I472E469-G471 PolarHBondContact O-N 2.98Å; E469-G471 VanDerWaalsContact O-N 3.11Å; E469-I472 WeakPolarHBondContact O-CG1 3.45Å; E469-I472 PolarHBondContact O-N 2.82Å
470D67.5Low68.2Low81 Ų81118.7 Ų118.743%0.43363%0.628SS.*Hα-helixtrans-55.7-22.2168.6-130.3-43.6000113.6S468 E473 Q474 R477S468-D470 PolarHBondContact O-N 3.36Å; D470-E473 PolarHBondContact O-N 2.89Å; D470-Q474 VanDerWaalsContact O-CB 3.25Å; D470-Q474 WeakPolarHBondContact O-CB 3.4Å; D470-Q474 WeakPolarHBondContact O-CG 3.23Å; D470-Q474 PolarHBondContact O-N 3Å; D470-Q474 PolarHBondContact OD1-NE2 2.92Å; D470-Q474 VanDerWaalsContact OD1-NE2 3.09Å; D470-R477 IonicContact OD1-CZ 2.82Å; D470-R477 IonicContact OD1-NH1 2.72Å; D470-R477 PolarHBondContact OD1-NH1 2.76Å; D470-R477 IonicContact OD1-NH2 3.57Å; D470-R477 PolarHBondContact OD1-NH2 2.77Å
471G80.2Confident70.7Confident38 Ų38116 Ų11639%0.39262%0.616SS.*Hα-helixtrans-65.4-47.5-179.700000113S468 E469 E475S468-G471 PolarHBondContact O-N 3.28Å; E469-G471 PolarHBondContact O-N 2.98Å; E469-G471 VanDerWaalsContact O-N 3.11Å; G471-E475 PolarHBondContact O-N 2.94Å
472I76.9Confident73Confident105 Ų105117 Ų11754%0.53861%0.61SS.*Hα-helixtrans-69.9-34174.952.3169.8000111.5E469 E475 I476E469-I472 WeakPolarHBondContact O-CG1 3.45Å; E469-I472 PolarHBondContact O-N 2.82Å; I472-E475 PolarHBondContact O-N 2.72Å; I472-I476 WeakPolarHBondContact O-CB 3.49Å; I472-I476 WeakPolarHBondContact O-CD1 3.34Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.12Å; I472-I476 PolarHBondContact O-N 3.29Å
473E86Confident74.9Confident103 Ų103115.7 Ų115.748%0.48160%0.598SS.*Hα-helixtrans-71.1-38.2176.8-149-161.9111.300111.7D470 I476 R477D470-E473 PolarHBondContact O-N 2.89Å; E473-I476 PolarHBondContact O-N 3.09Å; E473-R477 WeakPolarHBondContact O-CB 3.27Å; E473-R477 VanDerWaalsContact O-CG 3.23Å; E473-R477 WeakPolarHBondContact O-CG 3.38Å; E473-R477 PolarHBondContact O-N 3.41Å; E473-R477 IonicContact OE1-CZ 3Å; E473-R477 IonicContact OE1-NE 3.66Å; E473-R477 PolarHBondContact OE1-NE 3.25Å; E473-R477 IonicContact OE1-NH2 3.13Å; E473-R477 PolarHBondContact OE1-NH2 3.42Å; E473-R477 IonicContact OE2-NH2 2.94Å
474Q82Confident76.5Confident107 Ų107110.8 Ų110.850%0.558%0.579SS.*Hα-helixtrans-64.8-37.6172.7-74.5171.544.300112.1D470 R477 K478D470-Q474 VanDerWaalsContact O-CB 3.25Å; D470-Q474 WeakPolarHBondContact O-CB 3.4Å; D470-Q474 WeakPolarHBondContact O-CG 3.23Å; D470-Q474 PolarHBondContact O-N 3Å; D470-Q474 PolarHBondContact OD1-NE2 2.92Å; D470-Q474 VanDerWaalsContact OD1-NE2 3.09Å; Q474-R477 VanDerWaalsContact CG-NH1 3.34Å; Q474-K478 WeakPolarHBondContact O-CB 3.39Å; Q474-K478 PolarHBondContact O-N 2.87Å
475E90.4Very high78Confident137 Ų137110.8 Ų110.864%0.6457%0.566SS**Hα-helixtrans-64.9-42.5172-173.8167.5-156.700111.8G471 I472 K478 F479G471-E475 PolarHBondContact O-N 2.94Å; I472-E475 PolarHBondContact O-N 2.72Å; E475-K478 PolarHBondContact O-N 2.9Å; E475-F479 WeakPolarHBondContact O-CB 3.48Å; E475-F479 PolarHBondContact O-N 2.84Å
476I92.2Very high79Confident94 Ų94111.8 Ų111.848%0.48256%0.56SS.*Hα-helixtrans-64.6-46.1175.1-70.1163.6000111.3I472 E473 K478 F479 L480I472-I476 WeakPolarHBondContact O-CB 3.49Å; I472-I476 WeakPolarHBondContact O-CD1 3.34Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.12Å; I472-I476 PolarHBondContact O-N 3.29Å; E473-I476 PolarHBondContact O-N 3.09Å; I476-K478 VanDerWaalsContact C-N 3.33Å; I476-K478 PolarHBondContact O-N 3.43Å; I476-F479 PolarHBondContact O-N 3.16Å; I476-L480 HydrophobicContact CG2-CD1 3.82Å; I476-L480 HydrophobicContact CG2-CG 4.34Å; I476-L480 WeakPolarHBondContact O-CB 3.36Å; I476-L480 VanDerWaalsContact O-CG 3.27Å; I476-L480 WeakPolarHBondContact O-CG 3.3Å; I476-L480 PolarHBondContact O-N 2.87Å
477R92.8Very high79.6Confident113 Ų113111.8 Ų111.843%0.42656%0.556SS.*Hα-helixtrans-56.8-46.8174.6-71.3177.4-144.9140.76.7110.4D470 E473 Q474 L480 E481D470-R477 IonicContact OD1-CZ 2.82Å; D470-R477 IonicContact OD1-NH1 2.72Å; D470-R477 PolarHBondContact OD1-NH1 2.76Å; D470-R477 IonicContact OD1-NH2 3.57Å; D470-R477 PolarHBondContact OD1-NH2 2.77Å; E473-R477 WeakPolarHBondContact O-CB 3.27Å; E473-R477 VanDerWaalsContact O-CG 3.23Å; E473-R477 WeakPolarHBondContact O-CG 3.38Å; E473-R477 PolarHBondContact O-N 3.41Å; E473-R477 IonicContact OE1-CZ 3Å; E473-R477 IonicContact OE1-NE 3.66Å; E473-R477 PolarHBondContact OE1-NE 3.25Å; E473-R477 IonicContact OE1-NH2 3.13Å; E473-R477 PolarHBondContact OE1-NH2 3.42Å; E473-R477 IonicContact OE2-NH2 2.94Å; Q474-R477 VanDerWaalsContact CG-NH1 3.34Å; R477-L480 PolarHBondContact O-N 3.46Å; R477-E481 WeakPolarHBondContact O-CB 3.31Å; R477-E481 PolarHBondContact O-N 3.16Å
478K92.1Very high80Confident146 Ų146113 Ų11364%0.63556%0.555SS**Hα-helixtrans-64.6-40.3177.5-177.2-179.5178.4-176.40112.7Q474 E475 I476 E481 Q482Q474-K478 WeakPolarHBondContact O-CB 3.39Å; Q474-K478 PolarHBondContact O-N 2.87Å; E475-K478 PolarHBondContact O-N 2.9Å; I476-K478 VanDerWaalsContact C-N 3.33Å; I476-K478 PolarHBondContact O-N 3.43Å; K478-E481 PolarHBondContact O-N 3.15Å; K478-Q482 VanDerWaalsContact O-CB 3.27Å; K478-Q482 WeakPolarHBondContact O-CB 3.29Å; K478-Q482 PolarHBondContact O-N 2.78Å
479F93.8Very high79.5Confident114 Ų114116.9 Ų116.950%0.556%0.563SS.*Hα-helixtrans-67.9-40.3176.3179.9-97.5000112E475 I476 Q482 K483E475-F479 WeakPolarHBondContact O-CB 3.48Å; E475-F479 PolarHBondContact O-N 2.84Å; I476-F479 PolarHBondContact O-N 3.16Å; F479-Q482 PolarHBondContact O-N 3.35Å; F479-K483 HydrophobicContact CD1-CG 4.31Å; F479-K483 HydrophobicContact CE1-CG 3.95Å; F479-K483 HydrophobicContact CZ-CG 4.18Å; F479-K483 WeakPolarHBondContact O-CB 3.25Å; F479-K483 WeakPolarHBondContact O-CG 3.47Å; F479-K483 PolarHBondContact O-N 3.18Å
480L94.4Very high78.7Confident108 Ų108113.9 Ų113.957%0.56556%0.558SS**Hα-helixtrans-67.2-40.1174.7-70.9172000111.7I476 R477 K483 A484I476-L480 HydrophobicContact CG2-CD1 3.82Å; I476-L480 HydrophobicContact CG2-CG 4.34Å; I476-L480 WeakPolarHBondContact O-CB 3.36Å; I476-L480 VanDerWaalsContact O-CG 3.27Å; I476-L480 WeakPolarHBondContact O-CG 3.3Å; I476-L480 PolarHBondContact O-N 2.87Å; R477-L480 PolarHBondContact O-N 3.46Å; L480-K483 PolarHBondContact O-N 3.2Å; L480-A484 WeakPolarHBondContact O-CB 3.19Å; L480-A484 PolarHBondContact O-N 3.28Å
481E91.1Very high77.2Confident118 Ų118116.5 Ų116.555%0.55158%0.579SS**Hα-helixtrans-61.6-49171176.5170.1-149.500111.2R477 K478 K483 A484 Q485R477-E481 WeakPolarHBondContact O-CB 3.31Å; R477-E481 PolarHBondContact O-N 3.16Å; K478-E481 PolarHBondContact O-N 3.15Å; E481-K483 VanDerWaalsContact C-N 3.31Å; E481-K483 PolarHBondContact O-N 3.15Å; E481-A484 CarbonylContact O-C 3.53Å; E481-A484 WeakPolarHBondContact O-CA 3.44Å; E481-A484 WeakPolarHBondContact O-CB 3.39Å; E481-A484 PolarHBondContact O-N 2.6Å; E481-Q485 HydrophobicContact CG-CG 4.38Å; E481-Q485 WeakPolarHBondContact O-CG 3.26Å; E481-Q485 PolarHBondContact O-N 2.87Å; E481-Q485 PolarHBondContact OE1-NE2 2.92Å
482Q89.4Confident74.8Confident109 Ų109120.4 Ų120.451%0.50960%0.596SS.*Hα-helixtrans-58.9-41.9177.2-172.1176.78.400111.4K478 F479 Q485 M486K478-Q482 VanDerWaalsContact O-CB 3.27Å; K478-Q482 WeakPolarHBondContact O-CB 3.29Å; K478-Q482 PolarHBondContact O-N 2.78Å; F479-Q482 PolarHBondContact O-N 3.35Å; Q482-Q485 PolarHBondContact O-N 2.99Å; Q482-M486 WeakPolarHBondContact O-CG 3.38Å; Q482-M486 PolarHBondContact O-N 2.86Å
483K88.7Confident72.7Confident115 Ų115122 Ų12250%0.561%0.61SS.*Hα-helixtrans-60.3-43.7171.7-83.2-72.9-171.4177.70112.5F479 L480 E481 Q485 M486 H487F479-K483 HydrophobicContact CD1-CG 4.31Å; F479-K483 HydrophobicContact CE1-CG 3.95Å; F479-K483 HydrophobicContact CZ-CG 4.18Å; F479-K483 WeakPolarHBondContact O-CB 3.25Å; F479-K483 WeakPolarHBondContact O-CG 3.47Å; F479-K483 PolarHBondContact O-N 3.18Å; L480-K483 PolarHBondContact O-N 3.2Å; E481-K483 VanDerWaalsContact C-N 3.31Å; E481-K483 PolarHBondContact O-N 3.15Å; K483-Q485 VanDerWaalsContact C-N 3.3Å; K483-Q485 PolarHBondContact O-N 3.39Å; K483-M486 PolarHBondContact O-N 2.96Å; K483-H487 PolarHBondContact O-N 3.2Å
484A82.2Confident70.2Confident52 Ų52126 Ų12643%0.4363%0.628SS.*Hα-helixtrans-68.6-27.6177.500000113L480 E481 K488L480-A484 WeakPolarHBondContact O-CB 3.19Å; L480-A484 PolarHBondContact O-N 3.28Å; E481-A484 CarbonylContact O-C 3.53Å; E481-A484 WeakPolarHBondContact O-CA 3.44Å; E481-A484 WeakPolarHBondContact O-CB 3.39Å; E481-A484 PolarHBondContact O-N 2.6Å; A484-K488 WeakPolarHBondContact O-CD 3.47Å; A484-K488 WeakPolarHBondContact O-CG 3.33Å
485Q78.3Confident67.4Low111 Ų111129.4 Ų129.452%0.51964%0.644SS.*Hα-helixtrans-78.1-40172.6-68.4-178.218.300112E481 Q482 K483 H487 K488E481-Q485 HydrophobicContact CG-CG 4.38Å; E481-Q485 WeakPolarHBondContact O-CG 3.26Å; E481-Q485 PolarHBondContact O-N 2.87Å; E481-Q485 PolarHBondContact OE1-NE2 2.92Å; Q482-Q485 PolarHBondContact O-N 2.99Å; K483-Q485 VanDerWaalsContact C-N 3.3Å; K483-Q485 PolarHBondContact O-N 3.39Å; Q485-H487 PolarHBondContact O-N 3.37Å; Q485-K488 WeakPolarHBondContact O-CB 3.18Å; Q485-K488 PolarHBondContact O-N 3.46Å
486M71.8Confident65Low135 Ų135127.7 Ų127.767%0.66565%0.645SS**Hα-helixtrans-58.2-34.4173.3-73.9-177.98100112.4Q482 K483 K488Q482-M486 WeakPolarHBondContact O-CG 3.38Å; Q482-M486 PolarHBondContact O-N 2.86Å; K483-M486 PolarHBondContact O-N 2.96Å; M486-K488 PolarHBondContact O-N 2.89Å
487H59.1Low61.7Low171 Ų171129.6 Ų129.679%0.79267%0.665SS**THydrogen-bonded Turntrans-80.810.2176.8-152.3-59.9000113.9K483 Q485K483-H487 PolarHBondContact O-N 3.2Å; Q485-H487 PolarHBondContact O-N 3.37Å
488K60.7Low58.4Low171 Ų171127.8 Ų127.874%0.74368%0.681SS**THydrogen-bonded Turntrans-116.32.4-178.8-76.8177.9179.4179.60115.2A484 Q485 M486A484-K488 WeakPolarHBondContact O-CD 3.47Å; A484-K488 WeakPolarHBondContact O-CG 3.33Å; Q485-K488 WeakPolarHBondContact O-CB 3.18Å; Q485-K488 PolarHBondContact O-N 3.46Å; M486-K488 PolarHBondContact O-N 2.89Å
489Q42.2Very low55.4Low168 Ų168127.4 Ų127.479%0.78569%0.691SS**  trans-99.9129.1176.4-65.5-167.2-1.900112.2
490P41.8Very low52.3Low96 Ų96128.5 Ų128.562%0.62371%0.707SS**  trans-75155.2163.933.5-33.7000110.4T492P490-T492 PolarHBondContact O-N 3.47Å; P490-T492 VanDerWaalsContact O-N 3.09Å; P490-T492 PolarHBondContact O-OG1 2.81Å
491P36.1Very low49.1Very low136 Ų136129.9 Ų129.988%0.88372%0.715SS**  trans-65.6113.4-178.727.3-34.3000110.7
492T28.9Very low47Very low120 Ų120129 Ų12974%0.73672%0.719SS**  trans-107.2132.9173.4-54.40000108.5P490P490-T492 PolarHBondContact O-N 3.47Å; P490-T492 VanDerWaalsContact O-N 3.09Å; P490-T492 PolarHBondContact O-OG1 2.81Å
493V33.4Very low44Very low138 Ų138131.1 Ų131.184%0.83673%0.729SS**  trans-84136.2179177.70000108.9
494E33.8Very low41.3Very low186 Ų186133.9 Ų133.987%0.86974%0.741SS**  trans-115.6121.2169.3-72.7-165.3-179.100111.7
495E23Very low38.7Very low180 Ų180135.2 Ų135.284%0.84176%0.76SS**  trans-157.9159.3151.5-127-147.9148.700108
496P38.9Very low36.4Very low100 Ų100140.5 Ų140.565%0.64978%0.781SS**  -128.9177.8-83.240.1-28.6000114.7
497C22.6Very low34.3Very low135 Ų135137.8 Ų137.891%0.91279%0.788SS**  trans78.8133.7159.2-156.70000117.8
498G24.9Very low32.9Very low74 Ų74138.8 Ų138.876%0.76379%0.793SS**  trans172.7127174.400000111.1
499V29.1Very low31.5Very low138 Ų138138.8 Ų138.884%0.83680%0.801SS**  trans-107.6162.7178.1178.30000109.1
500V28.3Very low30.9Very low137 Ų137134.7 Ų134.783%0.8380%0.796SS**  trans105.6131.7169.2-174.80000114.6
501D26.4Very low30.3Very low138 Ų138134.3 Ų134.374%0.73880%0.801SS**  trans-125.6176.1177.5-174.242.2000107.6
502P46.8Very low30.1Very low99 Ų99133.2 Ų133.264%0.64379%0.792SS**  -98.2175.1-8634-18.2000113
503E27.7Very low30.6Very low154 Ų154135 Ų13572%0.7279%0.792SS**  trans-152.6172.6151.3-115.5-51.1121.200112.1
504K30.5Very low30.7Very low172 Ų172134.5 Ų134.575%0.74878%0.78SS**  trans-97.2155.1-161.6-52.5171.6-155.572.30112.8
505G28.4Very low30.7Very low80 Ų80133.6 Ų133.683%0.82577%0.774SS**  trans-170.599.6166.600000114.1
506K29.9Very low31.2Very low222 Ų222129.7 Ų129.797%0.96577%0.766SS**  trans-87.8141.4157.1-76.5-171176-170.70108.6
507G28.6Very low31.1Very low78 Ų78132.4 Ų132.480%0.80477%0.77SS**  trans176.6101.4172.500000112.1
508E29.9Very low31.7Very low193 Ų193135.6 Ų135.690%0.90276%0.763SS**  trans-84.9138.5162.5-63.1165.4112.600107.8
509D29.7Very low32.2Very low170 Ų170138.4 Ų138.491%0.90976%0.76SS**  -175.4171.2116.9-117.9-41.9000114.2
510A30.5Very low32.6Very low83 Ų83137.3 Ų137.369%0.68676%0.759SS**  trans-93.3155.1-156.300000118.7
511A29.4Very low33Very low88 Ų88137.1 Ų137.173%0.72775%0.752SS**  trans72164.9147.500000118.2
512T32.1Very low33.8Very low112 Ų112136.3 Ų136.369%0.68775%0.752SS**  cis-156.415711.9-22.30000111.3
513Q37.8Very low33.4Very low157 Ų157138.4 Ų138.473%0.73475%0.754SS**  trans67.2158.3156.7-62.4-173.153.800118
514Q35.9Very low34.1Very low128 Ų128139.6 Ų139.660%0.59876%0.756SS**  cis-147.4166.3-15.2-124.6-165.9104.700112.5
515K34.9Very low34.7Very low167 Ų167141.4 Ų141.473%0.72676%0.758SS**  trans-16159.6156.2-61.2175.9-159.6135.40119
516S32.4Very low35.3Very low98 Ų98145.3 Ų145.369%0.68575%0.753SS**  cis175.4179.5-13.8-840000108.7
517Q36.7Very low35.7Very low158 Ų158140.6 Ų140.674%0.73873%0.734SS**  trans84.4144.8160.4-54-16757.400116.5
518R36.8Very low35.9Very low202 Ų202145.7 Ų145.776%0.76273%0.734SS**  cis-155.9130.1-9.7-113.4176.9171.2170.5-4.8108.6
519L33.7Very low36.1Very low132 Ų132142.6 Ų142.669%0.69172%0.72SS**  66.6111.285-61.7-170.6000118.5L521L519-L521 HydrophobicContact CD2-CD1 3.99Å
520S38.3Very low36.4Very low116 Ų116143.2 Ų143.281%0.81171%0.714SS**  trans-174.911113954.60000109.6
521L36.5Very low36.4Very low133 Ų133142.6 Ų142.670%0.69671%0.705SS**  cis75.796.61.8-150.5178.3000117.7L519L519-L521 HydrophobicContact CD2-CD1 3.99Å
522T43.2Very low36.6Very low120 Ų120145.4 Ų145.474%0.73671%0.712SS**  trans-175.7139.6148.529.60000108.9
523Q38.7Very low36.7Very low144 Ų144145.9 Ų145.967%0.67372%0.716SS**  cis-131.2-141-8.7-77.9151.935.900107.4
524K42.8Very low36.1Very low178 Ų178145.4 Ų145.477%0.77472%0.723SS**  cis-168.5149.8-4.8-144160.2-171149.50108.4
525R42.1Very low36Very low210 Ų210142.9 Ų142.979%0.79272%0.724SS**  cis-160.2112.8-42169.4172.1167.9135-2.4111.2
526K42.5Very low35.7Very low162 Ų162141.8 Ų141.870%0.70473%0.726SS**  trans53.8154.5141.7-74175.9166.8-103.90121.2
527Q36.6Very low35.7Very low123 Ų123145 Ų14558%0.57573%0.733SS**  cis-147.6-151.6-13.9-136.4161.8-57.300106.1E529Q527-E529 PolarHBondContact NE2-OE2 3.39Å
528K33.9Very low35.2Very low185 Ų185143.6 Ų143.680%0.80474%0.74SS**  cis-154.7144.27.3165.1-166.5170-165.30104.9
529E33.9Very low34.7Very low129 Ų129137.2 Ų137.260%0.60374%0.737SS**  cis96.59219.4-161.2-174.9-160.200117.6Q527Q527-E529 PolarHBondContact NE2-OE2 3.39Å
530K35.7Very low34.5Very low183 Ų183135.6 Ų135.680%0.79674%0.743SS**  169.6156.3122.1-96.3-165.9146.7-78.70112
531S30Very low34Very low70 Ų70137.1 Ų137.149%0.4974%0.742SS.*  cis-175.5123.2-39.652.70000113
532V33.7Very low33.7Very low146 Ų146137.3 Ų137.389%0.88574%0.739SS**  trans76.3149.2136.5179.70000120.4
533T34.2Very low32.9Very low123 Ų123138.8 Ų138.876%0.75574%0.735SS**  trans-99.6156.4-166.3-23.40000115
534V25.7Very low32.4Very low147 Ų147137.7 Ų137.789%0.89174%0.742SS**  trans-147162.7155.6-172.10000108.9
535A33.4Very low31.7Very low75 Ų75138 Ų13862%0.6274%0.743SS**  trans-145.9174.5-170.400000115.9
536N28.6Very low30.8Very low144 Ų144135.8 Ų135.877%0.7774%0.742SS**  trans76.6134.2160.6-57.5-12.6000121.1
537M33.3Very low30Very low166 Ų166133.9 Ų133.982%0.81874%0.744SS**  163.4142.4105.4-80.5-57-87.700114.3
538S26.8Very low29.6Very low127 Ų127133.3 Ų133.389%0.88875%0.749SS**  trans63154.2166.4670000119.9
539G25.8Very low29.2Very low68 Ų68131.9 Ų131.970%0.70175%0.746SS**  cis159132.2-14.200000115.3
540A29Very low29Very low99 Ų99134.2 Ų134.282%0.81876%0.756SS**  trans67.7157.8171.800000117.2
541D28Very low28.5Very low148 Ų148129.4 Ų129.479%0.79175%0.75SS**  cis-156.2168.1-2.1-140.2-25.6000114.5
542E29.6Very low28.4Very low137 Ų137135.8 Ų135.864%0.6476%0.764SS**  trans38.2125.3150.8-86.2-115105.400126.1
543K27.5Very low28Very low150 Ų150135.2 Ų135.265%0.65275%0.751SS**  88.596.5118.4-159.9-168.8-126.382.30124.2
544C27.2Very low27.9Very low121 Ų121133.9 Ų133.982%0.81875%0.747SS**  49.1143.8125.9-540000126.4
545K27.7Very low28Very low184 Ų184134 Ų13480%0.874%0.742SS**  trans90.4100.2150.1-75-176.3175-168.90122.6
546E23.6Very low27.7Very low165 Ų165134.8 Ų134.877%0.77175%0.749SS**  45.9105.8103.8-167.1-177.7-163.800120.2
547T26.7Very low27.7Very low122 Ų122135.6 Ų135.675%0.74875%0.753SS**  177.3119110.942.70000113.9
548T27.6Very low27.4Very low110 Ų110133.5 Ų133.568%0.67575%0.749SS**  64.5115.3125.5-42.40000123.6
549E25.7Very low27.9Very low156 Ų156134 Ų13473%0.72974%0.741SS**  trans69.6149.2146-71.9170.7-167.200121.6
550H28.3Very low28.6Very low178 Ų178134.9 Ų134.982%0.82474%0.735SS**  cis-154.81630.3-127.8-34.7000112.3
551A25.5Very low28.6Very low81 Ų81137.5 Ų137.567%0.66973%0.73SS**  trans63136.4172.600000116.2
552R28.3Very low28.5Very low205 Ų205140.8 Ų140.877%0.77473%0.731SS**  cis-164.1159.5-4.8-99.7-176.1165.5-127.5-1.1104.2
553E26.3Very low28.5Very low134 Ų134138.7 Ų138.763%0.62673%0.732SS**  cis-174.7169.7-2.1-113.5163.6-175.500106.7
554S30.3Very low28.9Very low94 Ų94139.9 Ų139.966%0.65774%0.74SS**  cis-163.3-165.5-8.1-163.80000109
555N28.1Very low29.8Very low149 Ų149139.1 Ų139.180%0.79773%0.733SS**  trans86.8134.7153.9-61.5-6.4000120.4
556A27.6Very low30.6Very low92 Ų92138.9 Ų138.976%0.7674%0.735SS**  trans55.4100.9171.900000117.2
557L29.4Very low31.2Very low162 Ų162136.8 Ų136.885%0.84874%0.736SS**  83.9104.358.1-85.696.7000117.8
558T25.8Very low31.5Very low122 Ų122136.9 Ų136.975%0.74874%0.742SS**  trans25.7136133.2-4.20000124.4
559L36.9Very low31.9Very low138 Ų138138.7 Ų138.772%0.72375%0.752SS**  trans-58165.8147.5-110.874.8000112.2
560P40.7Very low32.2Very low86 Ų86135.7 Ų135.756%0.55876%0.755SS**  -153.6-126.95443.9-19.7000116.9
561Q29.1Very low32.5Very low153 Ų153134.9 Ų134.972%0.71576%0.756SS**  trans-105.3147.6-154-61.5176.4-9200116.1
562R27Very low33.2Very low217 Ų217139.4 Ų139.482%0.81976%0.762SS**  71.8123.6127.5-173.9-179.3-174.3156.25.2121.7
563S29.5Very low33.6Very low94 Ų94138.8 Ų138.866%0.65777%0.768SS**  trans70.1118.3151.162.80000122.1
564Q36.5Very low34.2Very low174 Ų174136.9 Ų136.981%0.81378%0.775SS**  44.2145.6128.8-67.6-102.3-34.100120.7
565P45.5Very low34.4Very low106 Ų106138.7 Ų138.769%0.68878%0.777SS**  cis-136.7-1663.641.4-20.8000115.7
566Q44.6Very low34.9Very low178 Ų178139.4 Ų139.483%0.83278%0.776SS**  trans-14.8149.1168.3-51.1-66.9-0.700121.3
567P35.9Very low35.1Very low122 Ų122141 Ų14179%0.79278%0.782SS**  trans-135158153.239.8-26.3000116.7
568S33Very low35.1Very low124 Ų124136.8 Ų136.887%0.86778%0.778SS**  trans-148.4159.8154.160.90000109.3
569T36.4Very low36Very low147 Ų147138.2 Ų138.290%0.90278%0.78SS**  trans-116165.7-157.343.10000116.6
570A31.4Very low36.5Very low94 Ų94141.4 Ų141.478%0.77779%0.788SS**  trans-150.6-169.317700000109.1
571L34.3Very low36.9Very low161 Ų161143.1 Ų143.184%0.84380%0.803SS**  cis-158.9163.512.2-141.9175.2000109.1
572H39.8Very low37.7Very low176 Ų176141.8 Ų141.882%0.81581%0.81SS**  trans-79.4169.9172.6-84.3-97000113.9
573Q37.6Very low38.9Very low192 Ų192136.7 Ų136.790%0.89781%0.808SS**  trans-147.2154.2169.7-76.8176.583.100107.9
574A39.5Very low39.7Very low93 Ų93138.7 Ų138.777%0.76981%0.811SS**  cis-161.4-174.2-17.600000106.2
575D33.8Very low40.4Very low132 Ų132137.8 Ų137.871%0.70681%0.811SS**  cis-153.6149.47170.952.6000110.1
576Q37.7Very low40.9Very low165 Ų165137.2 Ų137.277%0.77181%0.81SS**  trans166.2139.5138.2-95.7162.2103.400112.8
577S32.7Very low41.8Very low125 Ų125133.4 Ų133.487%0.87480%0.795SS**  trans69.4159.2154.680.80000119.5
578G29.1Very low43.5Very low74 Ų74134 Ų13476%0.76379%0.787SS**  trans98.9116.9153.500000116.8
579D44.9Very low45.6Very low151 Ų151134.3 Ų134.381%0.80778%0.779SS**  trans-69.5157.2151.3-62.5-73000110.4
580K47.2Very low47.9Very low205 Ų205132 Ų13289%0.89176%0.761SS**  trans103.1133.9159.1-57.3150.9-171.8173.30116.7
581S48.9Very low50.4Low123 Ų123131.2 Ų131.286%0.8674%0.743SS**  trans-58153.2176.2-32.30000114.4
582S46Very low52.6Low125 Ų125126.7 Ų126.787%0.87472%0.723SS**  trans-133.9153.8145.764.50000109.7
583S51.8Low54.6Low109 Ų109121.2 Ų121.276%0.76271%0.708SS**  trans-161106.6-177.956.40000109.4
584L47.5Very low56.9Low137 Ų137115.4 Ų115.472%0.71768%0.682SS**  trans-170.9126.4168.5-108.7162.1000108.9
585D50.5Low59Low154 Ų154116 Ų11682%0.82467%0.667SS**  trans166.179.1143.5-92.7-4.8000108.1
586S55.3Low61.4Low94 Ų94113.1 Ų113.166%0.65765%0.652SS**  trans-136.77.1173.1-56.40000112.2
587D65.1Low63.4Low99 Ų99109.7 Ų109.753%0.52964%0.638SS.*Hα-helixtrans-97.3-25.8-172.5-63.1-27.6000112.3L590 D591D587-L590 WeakPolarHBondContact O-CB 3.36Å; D587-L590 PolarHBondContact O-N 2.86Å; D587-D591 PolarHBondContact O-N 3.42Å
588E70Confident65.5Low133 Ų133109.1 Ų109.162%0.62163%0.625SS**Hα-helixtrans-66.8-37.5178.2-169.661-134.400112.4L590 D591 T592 K595E588-L590 VanDerWaalsContact C-N 3.34Å; E588-D591 PolarHBondContact O-N 2.87Å; E588-T592 VanDerWaalsContact O-CB 3.3Å; E588-T592 WeakPolarHBondContact O-CB 3.43Å; E588-T592 PolarHBondContact O-N 3.39Å; E588-T592 PolarHBondContact O-OG1 2.84Å; E588-K595 IonicContact OE1-NZ 2.66Å
589D78.7Confident67.6Low132 Ų132112.2 Ų112.271%0.70662%0.617SS**Hα-helixtrans-63.9-39.9171.7-85-24.1000111.6T592 A593D589-T592 PolarHBondContact O-N 2.84Å; D589-A593 WeakPolarHBondContact O-CB 3.33Å; D589-A593 PolarHBondContact O-N 3.45Å
590L83.8Confident68.5Low99 Ų99111.7 Ų111.752%0.51861%0.61SS.*Hα-helixtrans-65.9-44.8177.9179.161.6000110.7D587 E588 T592 A593 I594D587-L590 WeakPolarHBondContact O-CB 3.36Å; D587-L590 PolarHBondContact O-N 2.86Å; E588-L590 VanDerWaalsContact C-N 3.34Å; L590-T592 VanDerWaalsContact C-N 3.33Å; L590-T592 PolarHBondContact O-N 3.34Å; L590-A593 PolarHBondContact O-N 2.81Å; L590-I594 HydrophobicContact CD1-CD1 4.04Å; L590-I594 HydrophobicContact CD1-CG1 4.41Å; L590-I594 HydrophobicContact CG-CD1 3.91Å; L590-I594 WeakPolarHBondContact O-CB 3.37Å; L590-I594 WeakPolarHBondContact O-CG1 3.31Å; L590-I594 PolarHBondContact O-N 3.23Å
591D83.9Confident68.9Low76 Ų76110.8 Ų110.841%0.40660%0.601SS.*Hα-helixtrans-69.3-33.1179.7-146.350000111.5D587 E588 I594 K595D587-D591 PolarHBondContact O-N 3.42Å; E588-D591 PolarHBondContact O-N 2.87Å; D591-I594 PolarHBondContact O-N 2.99Å; D591-K595 WeakPolarHBondContact O-CB 3.38Å; D591-K595 VanDerWaalsContact O-CD 3.28Å; D591-K595 WeakPolarHBondContact O-CD 3.32Å; D591-K595 WeakPolarHBondContact O-CG 3.22Å; D591-K595 PolarHBondContact O-N 3.36Å; D591-K595 WeakPolarHBondContact OD2-CE 3.37Å; D591-K595 IonicContact OD2-NZ 3.6Å; D591-K595 PolarHBondContact OD2-NZ 2.99Å
592T81.3Confident69.2Low67 Ų67114.1 Ų114.141%0.41160%0.6SS.*Hα-helixtrans-65.5-47.3170.4-63.80000112E588 D589 L590 I594 K595 D596E588-T592 VanDerWaalsContact O-CB 3.3Å; E588-T592 WeakPolarHBondContact O-CB 3.43Å; E588-T592 PolarHBondContact O-N 3.39Å; E588-T592 PolarHBondContact O-OG1 2.84Å; D589-T592 PolarHBondContact O-N 2.84Å; L590-T592 VanDerWaalsContact C-N 3.33Å; L590-T592 PolarHBondContact O-N 3.34Å; T592-I594 VanDerWaalsContact C-N 3.31Å; T592-I594 PolarHBondContact O-N 3.36Å; T592-K595 PolarHBondContact O-N 3.44Å; T592-D596 PolarHBondContact O-N 2.96Å
593A80.6Confident69.4Low60 Ų60113.6 Ų113.650%0.49660%0.595SS.*Hα-helixtrans-62.4-37.1175.400000112.3D589 L590 L597D589-A593 WeakPolarHBondContact O-CB 3.33Å; D589-A593 PolarHBondContact O-N 3.45Å; L590-A593 PolarHBondContact O-N 2.81Å; A593-L597 WeakPolarHBondContact O-CB 3.5Å; A593-L597 PolarHBondContact O-N 2.88Å
594I86.4Confident69.5Low71 Ų71115.1 Ų115.136%0.36459%0.593SS.*Hα-helixtrans-67.2-44.2174.2-72.6168.2000110.9L590 D591 T592 L597 L598L590-I594 HydrophobicContact CD1-CD1 4.04Å; L590-I594 HydrophobicContact CD1-CG1 4.41Å; L590-I594 HydrophobicContact CG-CD1 3.91Å; L590-I594 WeakPolarHBondContact O-CB 3.37Å; L590-I594 WeakPolarHBondContact O-CG1 3.31Å; L590-I594 PolarHBondContact O-N 3.23Å; D591-I594 PolarHBondContact O-N 2.99Å; T592-I594 VanDerWaalsContact C-N 3.31Å; T592-I594 PolarHBondContact O-N 3.36Å; I594-L597 PolarHBondContact O-N 2.97Å; I594-L598 HydrophobicContact CG2-CD1 3.82Å; I594-L598 VanDerWaalsContact O-CD1 3.24Å; I594-L598 WeakPolarHBondContact O-CD1 3.25Å; I594-L598 PolarHBondContact O-N 2.74Å
595K84.1Confident69.3Low104 Ų104117.2 Ų117.245%0.45260%0.596SS.*Hα-helixtrans-57.3-50.7176.5-75.7157.3-165.8149.40111.3E588 D591 T592 L598 K599E588-K595 IonicContact OE1-NZ 2.66Å; D591-K595 WeakPolarHBondContact O-CB 3.38Å; D591-K595 VanDerWaalsContact O-CD 3.28Å; D591-K595 WeakPolarHBondContact O-CD 3.32Å; D591-K595 WeakPolarHBondContact O-CG 3.22Å; D591-K595 PolarHBondContact O-N 3.36Å; D591-K595 WeakPolarHBondContact OD2-CE 3.37Å; D591-K595 IonicContact OD2-NZ 3.6Å; D591-K595 PolarHBondContact OD2-NZ 2.99Å; T592-K595 PolarHBondContact O-N 3.44Å; K595-L598 PolarHBondContact O-N 3.2Å; K595-K599 VanDerWaalsContact O-CB 3.28Å; K595-K599 WeakPolarHBondContact O-CB 3.43Å; K595-K599 PolarHBondContact O-N 3.45Å
596D83.1Confident68.7Low72 Ų72116.8 Ų116.839%0.38559%0.594SS.*Hα-helixtrans-70.5-34.8179.3-99.16.7000112.6T592 L598 K599 H600T592-D596 PolarHBondContact O-N 2.96Å; D596-L598 PolarHBondContact O-N 2.89Å; D596-K599 WeakPolarHBondContact O-CB 3.28Å; D596-K599 PolarHBondContact O-N 2.97Å; D596-K599 WeakPolarHBondContact OD1-CD 3.36Å; D596-K599 IonicContact OD1-NZ 3.54Å; D596-K599 PolarHBondContact OD1-NZ 2.95Å; D596-H600 PolarHBondContact O-CD2 3.47Å; D596-H600 PolarHBondContact O-N 3.1Å
597L80.5Confident67.8Low93 Ų93121.2 Ų121.249%0.48760%0.604SS.*Hα-helixtrans-62.6-40.1172.5-179.560.5000112.3A593 I594 R601A593-L597 WeakPolarHBondContact O-CB 3.5Å; A593-L597 PolarHBondContact O-N 2.88Å; I594-L597 PolarHBondContact O-N 2.97Å; L597-R601 HydrophobicContact CD1-CG 4.27Å; L597-R601 VanDerWaalsContact O-CB 3.24Å; L597-R601 WeakPolarHBondContact O-CB 3.39Å; L597-R601 VanDerWaalsContact O-CG 3.28Å; L597-R601 WeakPolarHBondContact O-CG 3.27Å; L597-R601 PolarHBondContact O-N 3.04Å
598L77.7Confident66.2Low113 Ų113123.7 Ų123.759%0.59261%0.613SS**Hα-helixtrans-66.9-41.8173.2-96.178.8000111.7I594 K595 D596 R601 K602I594-L598 HydrophobicContact CG2-CD1 3.82Å; I594-L598 VanDerWaalsContact O-CD1 3.24Å; I594-L598 WeakPolarHBondContact O-CD1 3.25Å; I594-L598 PolarHBondContact O-N 2.74Å; K595-L598 PolarHBondContact O-N 3.2Å; D596-L598 PolarHBondContact O-N 2.89Å; L598-R601 PolarHBondContact O-N 2.9Å; L598-K602 WeakPolarHBondContact O-CB 3.31Å; L598-K602 PolarHBondContact O-N 3.28Å
599K73.3Confident65Low139 Ų139121.9 Ų121.960%0.60461%0.613SS**Hα-helixtrans-62.2-46.8-179.9-168.2-177.9176.2-171.60111.4K595 D596 K602K595-K599 VanDerWaalsContact O-CB 3.28Å; K595-K599 WeakPolarHBondContact O-CB 3.43Å; K595-K599 PolarHBondContact O-N 3.45Å; D596-K599 WeakPolarHBondContact O-CB 3.28Å; D596-K599 PolarHBondContact O-N 2.97Å; D596-K599 WeakPolarHBondContact OD1-CD 3.36Å; D596-K599 IonicContact OD1-NZ 3.54Å; D596-K599 PolarHBondContact OD1-NZ 2.95Å; K599-K602 PolarHBondContact O-N 3.22Å
600H63.6Low62.7Low141 Ų141124 Ų12465%0.65362%0.623SS**Hα-helixtrans-68.3-35173.5-81.7-82.6000113.2D596D596-H600 PolarHBondContact O-CD2 3.47Å; D596-H600 PolarHBondContact O-N 3.1Å
601R54.6Low60.1Low186 Ų186128.2 Ų128.270%0.70264%0.643SS**Hα-helixtrans-74.1-20.1176.9-78.6-178.5158.2-163.1-5.7114.4L597 L598 C603L597-R601 HydrophobicContact CD1-CG 4.27Å; L597-R601 VanDerWaalsContact O-CB 3.24Å; L597-R601 WeakPolarHBondContact O-CB 3.39Å; L597-R601 VanDerWaalsContact O-CG 3.28Å; L597-R601 WeakPolarHBondContact O-CG 3.27Å; L597-R601 PolarHBondContact O-N 3.04Å; L598-R601 PolarHBondContact O-N 2.9Å; R601-C603 PolarHBondContact O-N 3.28Å
602K56.3Low57.4Low192 Ų192127.6 Ų127.684%0.83565%0.654SS**THydrogen-bonded Turntrans-75.4-7.4-178.8-155.5164.9-174.6174.50114.2L598 K599L598-K602 WeakPolarHBondContact O-CB 3.31Å; L598-K602 PolarHBondContact O-N 3.28Å; K599-K602 PolarHBondContact O-N 3.22Å
603C48.4Very low55Low115 Ų115132 Ų13278%0.77768%0.675SS**THydrogen-bonded Turntrans-104.811.4178.6-68.40000114.7R601R601-C603 PolarHBondContact O-N 3.28Å
604I54.8Low52.6Low141 Ų141134 Ų13472%0.72369%0.691SS**  trans-12277.5177.2-50.1-177.8000111.3
605K44.1Very low50Low180 Ų180137.8 Ų137.878%0.78371%0.711SS**  trans-169.2137.7152.2-108.5163.5-173.4176.10109.7
606D37.3Very low47.4Very low145 Ų145140 Ų14078%0.77572%0.723SS**  trans64.1125.6159.2-41.5-24000116.1
607E36.4Very low44.9Very low187 Ų187144.2 Ų144.287%0.87475%0.745SS**  cis-152177.5-3.6-70.1-147.4124.100110.9
608E30.3Very low42.7Very low152 Ų152150.9 Ų150.971%0.7176%0.764SS**  trans-132.9142.5155.2-153.1-130.7149.600106.8K1082E608-K1082 IonicContact OE2-NZ 3.8Å
609P45.5Very low40.5Very low95 Ų95154.8 Ų154.862%0.61778%0.776SS**  cis-132157.8-0.839-23.3000115.8
610L29.9Very low38.3Very low176 Ų176158.3 Ų158.392%0.92179%0.792SS**  trans-159.9162.8130.9-135.668.3000112.6
611M30.5Very low36.7Very low188 Ų188159.2 Ų159.293%0.92679%0.794SS**  trans-82147.6-170.8-59.4164.461.600113.7
612G27.7Very low35.5Very low62 Ų62159.7 Ų159.764%0.63980%0.804SS**  trans137129.3135.600000118.8
613N30.1Very low34.2Very low161 Ų161157.2 Ų157.286%0.86180%0.795SS**  trans83.2100.3141-53.9-14.6000120.1
614A29.9Very low34.2Very low101 Ų101156.8 Ų156.884%0.83579%0.791SS**  67.2131.711300000120.6
615L31.1Very low33Very low150 Ų150153.9 Ų153.979%0.78580%0.796SS**  trans-49.2155.8-175.9-60.6171.6000117.2
616H31Very low32.5Very low152 Ų152150.5 Ų150.570%0.70480%0.795SS**  trans-32.2148.3162.855.5-97.4000116.2
617N30.9Very low32.3Very low159 Ų159153.9 Ų153.985%0.8580%0.803SS**  trans-148.1161.1147.6-128.8-56.8000112.7
618R33.3Very low31.9Very low233 Ų233150.7 Ų150.788%0.87980%0.8SS**  trans-73.6150.1-160-69.5178.4173.4170.5-2.4114.3
619K31.1Very low31.9Very low196 Ų196149.4 Ų149.485%0.85281%0.808SS**  trans-73133.1162.2-64.3173.8-176.9169.80109.9
620F28.2Very low31.2Very low213 Ų213148.7 Ų148.793%0.93481%0.81SS**  trans-137145134-99.5-78.5000108.5
621K29.4Very low31.3Very low160 Ų160146.8 Ų146.870%0.69680%0.8SS**  trans-114.4131.1-173.2-104.8-82.9-170.6175.70109.2
622H28.3Very low31.5Very low195 Ų195146 Ų14690%0.90379%0.791SS**  trans-145.8147.4143.8-106.3-80.2000109.7
623E29Very low31.7Very low141 Ų141152 Ų15266%0.65980%0.8SS**  trans-164.6163.4-169.9-100-101.912700106.3
624P49.8Very low31.6Very low105 Ų105149.4 Ų149.468%0.68279%0.789SS**  cis-128.2179-47.136.9-21.9000111.1
625G29.1Very low31.5Very low80 Ų80153.4 Ų153.483%0.82579%0.79SS**  trans-150.5102.1175.100000113.5
626S34.2Very low31.4Very low110 Ų110150.1 Ų150.177%0.76979%0.793SS**  trans-95.2138.5-179.7-660000113.1
627K32.1Very low31.4Very low215 Ų215146 Ų14694%0.93579%0.791SS**  trans-127.5134.5147-76.4-173.7178.1176.40108.7
628C28.8Very low31.6Very low120 Ų120145.6 Ų145.681%0.81179%0.789SS**  trans-107.4142.8-172-60.70000111.6
629S30.5Very low31.8Very low126 Ų126141.4 Ų141.488%0.88178%0.784SS**  trans-166.5169.9135.156.20000108.9
630A30.5Very low32.1Very low79 Ų79138.9 Ų138.965%0.65378%0.78SS**  trans-143.2150.4-162.600000114
631L32.3Very low32.8Very low137 Ų137133.9 Ų133.972%0.71777%0.767SS**  trans71.2149.5173.6-49.8169.1000112.9
632K33.5Very low33.2Very low172 Ų172134.7 Ų134.775%0.74877%0.77SS**  cis-166.3146.720-150.6177.3-174.7178.60109.7
633K31.9Very low33.6Very low188 Ų188129.8 Ų129.882%0.81775%0.75SS**  trans63164.5161.8-81.1-172.4174.3-163.90115.9
634V28.6Very low34.2Very low106 Ų106131 Ų13164%0.64275%0.754SS**  cis-165.7146.4-34.589.30000108.1
635H27.8Very low33.2Very low184 Ų184131.4 Ų131.485%0.85276%0.758SS**  trans65.5155.2170.1-66.818.3000118
636G29.8Very low33.4Very low82 Ų82130.2 Ų130.285%0.84575%0.745SS**  trans78.7147.8177.600000114.3
637G31.3Very low33.2Very low64 Ų64134.3 Ų134.366%0.6675%0.75SS**  cis146.5101.2-5.200000112.2
638D34.8Very low33.4Very low151 Ų151128.4 Ų128.481%0.80774%0.736SS**  trans64.3158.4151.4-48.7-42.1000122.1
639D36.2Very low33.8Very low145 Ų145130.8 Ų130.878%0.77573%0.732SS**  trans71.8133.8154.6-58.8-23.7000125.2
640D38.7Very low34.1Very low144 Ų144131.3 Ų131.377%0.7773%0.725SS**  trans45.6148.2143-76.7-24.8000122.7
641V41.6Very low34.1Very low108 Ų108134.1 Ų134.166%0.65573%0.729SS**  cis144.1133.5-11.6144.90000107.1
642K38.6Very low34Very low177 Ų177133.8 Ų133.877%0.7773%0.732SS**  trans64.7168.8165.3-88.1173168.9174.20116.4
643D36.4Very low33.9Very low91 Ų91130.2 Ų130.249%0.48773%0.729SS.*  cis-151.9165.6-0.4-135.7-26.9000111.8
644K42Very low33.9Very low168 Ų168129 Ų12973%0.7373%0.726SS**  trans60.8133151.5-72.4148.9-169.2146.60119.1
645C29.6Very low33.9Very low113 Ų113130.1 Ų130.176%0.76473%0.725SS**  72.1131.257.6-173.60000112.9
646G32.1Very low34Very low55 Ų55130.6 Ų130.657%0.56772%0.719SS**  cis166.8-146.51.900000112
647F31.4Very low34Very low196 Ų196133 Ų13386%0.8671%0.708SS**  trans72.1140.8176.4-53.6-80.3000116.2
648S34.3Very low33.8Very low91 Ų91136 Ų13664%0.63671%0.707SS**  cis-162.8-154.6-7.645.60000108.4
649K37.9Very low33.4Very low170 Ų170133.8 Ų133.874%0.73970%0.695SS**  cis-170.7134.214.6-144.4167.1-171172.70111.8
650N36.9Very low33.1Very low136 Ų136134.4 Ų134.473%0.72769%0.691SS**  trans64.8156.9159.2-57.2-0.1000117.8
651N29.7Very low32.5Very low138 Ų138132.3 Ų132.374%0.73869%0.686SS**  cis-159.1165.52.1-136.9-10.4000113.3
652V30.6Very low31.8Very low130 Ų130135.2 Ų135.279%0.78869%0.69SS**  trans67.1134.4154.5164.10000118.8
653S31Very low31Very low98 Ų98134.4 Ų134.469%0.68569%0.689SS**  cis-167.8162-15.7-1700000112.8
654Q32.7Very low30.5Very low162 Ų162133.1 Ų133.176%0.75770%0.697SS**  trans71.2145.5165.6-58.7-150.266.600120.3
655Q29.1Very low29.9Very low130 Ų130132.1 Ų132.161%0.60770%0.7SS**  cis-167.8128.7-22.8174.9165.5-119.400112.7
656R30.1Very low29.7Very low193 Ų193132.5 Ų132.573%0.72870%0.699SS**  trans63.3162.1162.8-68.5168-166.2-93.25.5116
657Q28.5Very low29.6Very low132 Ų132134.1 Ų134.162%0.61771%0.706SS**  cis-167.1162.8-17-110.1177.3-10900106.6
658M27.1Very low29.5Very low129 Ų129131.7 Ų131.764%0.63570%0.703SS**  cis-166.8168.6-11.8-155167.774.200108.2
659D27.2Very low29.3Very low104 Ų104134 Ų13456%0.55671%0.707SS**  trans63.3168160.8-78.31.5000117.5
660K29.7Very low29Very low158 Ų158132.8 Ų132.869%0.68771%0.713SS**  cis-157.6162.4-35.7-110.7178.2-172.582.80109.2
661C25.7Very low28.5Very low100 Ų100129.4 Ų129.468%0.67671%0.71SS**  trans17147.4144-55.70000123.5
662K26.7Very low28.4Very low169 Ų169126.4 Ų126.474%0.73571%0.712SS**  trans76.7138.5141.8-76.2175.6173.6-80.60116.8
663E21.7Very low28.2Very low159 Ų159127.4 Ų127.474%0.74371%0.708SS**  cis85.8131.944.2-176-168.3-131.500112.3
664G26.2Very low28.2Very low64 Ų64131.2 Ų131.266%0.6671%0.707SS**  trans116.2136.4178.600000113.6
665D29.6Very low28Very low148 Ų148131.1 Ų131.179%0.79171%0.707SS**  cis-160.9163.4-14.4-128.8-29.4000113.3
666T26.1Very low27.8Very low121 Ų121133.6 Ų133.674%0.74272%0.718SS**  trans26.4133.815954.80000122.1
667A30.1Very low27.8Very low88 Ų88127.6 Ų127.673%0.72771%0.709SS**  cis-147.6-105-5.600000113.1
668D28.2Very low27.8Very low146 Ų146130.5 Ų130.578%0.78172%0.723SS**  cis-153.7-164.6-2.4-144.2-52.7000111.4
669I30.9Very low27.7Very low140 Ų140130.4 Ų130.472%0.71874%0.735SS**  trans-127.4142.3-151.2-68.8173.7000114.2
670V30.4Very low27.8Very low144 Ų144133 Ų13387%0.87375%0.748SS**  trans67147.5165.1161.20000116.9
671G27.1Very low27.8Very low65 Ų65135 Ų13567%0.6776%0.76SS**  cis145.5148.5-900000114
672G27.6Very low27.8Very low75 Ų75136.5 Ų136.577%0.77377%0.766SS**  trans68178.4179.200000114.9
673E27.1Very low28Very low150 Ų150135 Ų13570%0.70177%0.771SS**  cis-164153.8-33.6-121.7-165.4136.700108.5
674R29.6Very low28.3Very low178 Ų178135 Ų13567%0.67277%0.771SS**  trans43.1126148.8-68.2-172.7-143.4-140.61.7123
675Q30Very low29Very low161 Ų161136.9 Ų136.975%0.75277%0.772SS**  79146.9123.4-66.2172-23.800122.4
676H24.9Very low29.1Very low182 Ų182135.4 Ų135.484%0.84376%0.763SS**  trans81111.2143.4-121.8-117.2000122.4
677A29.4Very low29.4Very low66 Ų66139.4 Ų139.455%0.54577%0.766SS.*  63133.812800000123
678Q29Very low29.6Very low193 Ų193144.8 Ų144.890%0.90277%0.767SS**  trans42.9115.8135.5-60.4177.6-300119.7
679S25Very low29.6Very low127 Ų127143.7 Ų143.789%0.88877%0.766SS**  -162.5172.3112.3-157.50000112.1
680L29.3Very low29.6Very low159 Ų159141.6 Ų141.683%0.83276%0.756SS**  trans-92.4146.6176.7-63.4155.2000110.9
681Q28.4Very low30.2Very low200 Ų200142.1 Ų142.194%0.93576%0.755SS**  -162.4150.6123-115.7173-3.700113.9
682T26.6Very low30.9Very low132 Ų132147.9 Ų147.981%0.8176%0.764SS**  trans-99.4143.9176.3-56.40000109.8
683V30.6Very low31.6Very low137 Ų137148.9 Ų148.983%0.8376%0.759SS**  trans-170.6143.4143138.50000108.1
684E28.8Very low32.6Very low159 Ų159146.6 Ų146.674%0.74376%0.76SS**  trans-109.8148.2165.4-145.7-149.4-9300108L686E684-L686 PolarHBondContact OE2-N 3.29Å
685P41.1Very low33.3Very low104 Ų104142.9 Ų142.968%0.67576%0.761SS**  -149.3144.495.337.4-20.4000116.8
686L30.2Very low34.3Very low116 Ų116141.8 Ų141.861%0.60777%0.765SS**  27.8153.4129.4-151.257.4000123.3E684E684-L686 PolarHBondContact OE2-N 3.29Å
687Y32.4Very low35.1Very low205 Ų205140.3 Ų140.380%0.80476%0.763SS**  trans104.9135.7160-49.1-65.4000119.9
688R34.3Very low36.1Very low201 Ų201142.8 Ų142.876%0.75878%0.776SS**  trans-35.2155.6170.8-75.9175170.2-99.74.7116.3D690R688-D690 IonicContact CZ-OD1 2.84Å; R688-D690 IonicContact CZ-OD2 3.98Å; R688-D690 IonicContact NH1-OD1 3.71Å; R688-D690 PolarHBondContact NH1-OD1 2.93Å; R688-D690 IonicContact NH1-OD2 2.82Å; R688-D690 PolarHBondContact NH1-OD2 3.29Å
689T28.4Very low37.5Very low124 Ų124140 Ų14076%0.76177%0.768SS**  -151.2129.256.944.60000111.2
690D32.5Very low39.4Very low95 Ų95137.7 Ų137.751%0.50875%0.746SS.*  84.5129.377.2-60.1-43.8000113.4R688R688-D690 IonicContact CZ-OD1 2.84Å; R688-D690 IonicContact CZ-OD2 3.98Å; R688-D690 IonicContact NH1-OD1 3.71Å; R688-D690 PolarHBondContact NH1-OD1 2.93Å; R688-D690 IonicContact NH1-OD2 2.82Å; R688-D690 PolarHBondContact NH1-OD2 3.29Å
691D41.1Very low41.5Very low156 Ų156134.7 Ų134.783%0.83474%0.738SS**  trans54.7106164.5-54.2-33.4000123.1
692E42.1Very low43.8Very low186 Ų186130.4 Ų130.487%0.86972%0.72SS**  -144.8143.5127.3-91-144.5131.400112.1
693S41.8Very low46.6Very low96 Ų96128.5 Ų128.567%0.67170%0.702SS**  trans64.480.3153.4-60.20000121.2
694S49.9Very low48.9Very low102 Ų102127.3 Ų127.371%0.71369%0.687SS**  64.8137.9111.469.80000123.7
695S44Very low51.6Low99 Ų99124.5 Ų124.569%0.69267%0.674SS**  trans69.1108.9139.565.70000121.3
696V49.4Very low53.8Low138 Ų138123.2 Ų123.284%0.83666%0.661SS**  trans54.572.8135.2-161.80000116.8
697D43.7Very low56.5Low151 Ų151123.4 Ų123.481%0.80765%0.654SS**  trans-149.1128.1140.1-99.4-35.8000108.9
698S49.1Very low59.3Low118 Ų118121.1 Ų121.183%0.82564%0.643SS**THydrogen-bonded Turntrans-927.4-167.8-58.60000114.8
699D58.1Low61.9Low134 Ų134117.4 Ų117.472%0.71763%0.633SS**THydrogen-bonded Turntrans-83.3-14.6-173.2-87-22.3000114.4S701 I702D699-S701 PolarHBondContact O-N 3.3Å; D699-I702 WeakPolarHBondContact O-CG2 3.48Å; D699-I702 PolarHBondContact O-N 3.18Å
700D65Low64.8Low80 Ų80116.6 Ų116.643%0.42862%0.623SS.*Hα-helixtrans-66.6-13.2-171.2-152.729.8000113.7I702 E703 Q704 R707D700-I702 PolarHBondContact O-N 3.3Å; D700-E703 PolarHBondContact O-N 2.83Å; D700-Q704 WeakPolarHBondContact O-CB 3.42Å; D700-Q704 VanDerWaalsContact O-CG 3.28Å; D700-Q704 WeakPolarHBondContact O-CG 3.49Å; D700-Q704 PolarHBondContact O-N 2.94Å; D700-Q704 PolarHBondContact OD2-NE2 3.5Å; D700-Q704 VanDerWaalsContact OD2-NE2 3.12Å; D700-R707 IonicContact OD1-NH2 2.76Å; D700-R707 PolarHBondContact OD1-NH2 3.01Å; D700-R707 IonicContact OD2-NH2 3.29Å
701S73.6Confident67.3Low96 Ų96114.4 Ų114.467%0.67162%0.619SS**Hα-helixtrans-58.4-45.5174.2-176.10000112.9D699 Q704 E705D699-S701 PolarHBondContact O-N 3.3Å; S701-Q704 PolarHBondContact O-N 2.96Å; S701-E705 PolarHBondContact O-N 3.29Å
702I77.6Confident68.9Low110 Ų110112.1 Ų112.156%0.56460%0.603SS**Hα-helixtrans-71-35.7180-163.565.3000111.4D699 D700 E705 I706D699-I702 WeakPolarHBondContact O-CG2 3.48Å; D699-I702 PolarHBondContact O-N 3.18Å; D700-I702 PolarHBondContact O-N 3.3Å; I702-E705 PolarHBondContact O-N 3.28Å; I702-I706 HydrophobicContact CG1-CD1 4.03Å; I702-I706 WeakPolarHBondContact O-CB 3.43Å; I702-I706 WeakPolarHBondContact O-CD1 3.45Å; I702-I706 WeakPolarHBondContact O-CG1 3.37Å; I702-I706 PolarHBondContact O-N 3.12Å
703E85.9Confident70.6Confident92 Ų92109.1 Ų109.143%0.4359%0.587SS.*Hα-helixtrans-70.4-32.4177.4-171.959.3-128.900111.1D700 R707D700-E703 PolarHBondContact O-N 2.83Å; E703-R707 VanDerWaalsContact O-CB 3.32Å; E703-R707 WeakPolarHBondContact O-CB 3.18Å; E703-R707 VanDerWaalsContact O-CG 3.22Å; E703-R707 WeakPolarHBondContact O-CG 3.5Å; E703-R707 PolarHBondContact O-N 3.46Å; E703-R707 PolarHBondContact O-NE 2.82Å; E703-R707 IonicContact OE1-NE 2.66Å
704Q78.2Confident72Confident111 Ų111107.4 Ų107.452%0.51958%0.579SS.*Hα-helixtrans-73.2-41.9171.8-71.5-178.744.200112.4D700 S701 R707 R708D700-Q704 WeakPolarHBondContact O-CB 3.42Å; D700-Q704 VanDerWaalsContact O-CG 3.28Å; D700-Q704 WeakPolarHBondContact O-CG 3.49Å; D700-Q704 PolarHBondContact O-N 2.94Å; D700-Q704 PolarHBondContact OD2-NE2 3.5Å; D700-Q704 VanDerWaalsContact OD2-NE2 3.12Å; S701-Q704 PolarHBondContact O-N 2.96Å; Q704-R707 PolarHBondContact O-N 3.44Å; Q704-R708 VanDerWaalsContact O-CB 3.25Å; Q704-R708 WeakPolarHBondContact O-CB 3.21Å; Q704-R708 PolarHBondContact O-N 2.97Å
705E85.8Confident72.6Confident100 Ų100110.5 Ų110.547%0.46758%0.579SS.*Hα-helixtrans-63.4-40.2173.6-169.283.3-85.200111.2S701 I702 R708 F709S701-E705 PolarHBondContact O-N 3.29Å; I702-E705 PolarHBondContact O-N 3.28Å; E705-R708 PolarHBondContact O-N 3.39Å; E705-R708 IonicContact OE1-CZ 3.17Å; E705-R708 IonicContact OE1-NH1 3.77Å; E705-R708 PolarHBondContact OE1-NH1 3.26Å; E705-F709 VanDerWaalsContact O-CB 3.29Å; E705-F709 WeakPolarHBondContact O-CB 3.39Å; E705-F709 PolarHBondContact O-N 2.93Å
706I86.4Confident73.1Confident77 Ų77111 Ų11140%0.39558%0.578SS.*Hα-helixtrans-63.9-47.5174.1-72.4165.8000110.9I702 R708 F709 L710I702-I706 HydrophobicContact CG1-CD1 4.03Å; I702-I706 WeakPolarHBondContact O-CB 3.43Å; I702-I706 WeakPolarHBondContact O-CD1 3.45Å; I702-I706 WeakPolarHBondContact O-CG1 3.37Å; I702-I706 PolarHBondContact O-N 3.12Å; I706-R708 VanDerWaalsContact C-N 3.32Å; I706-R708 PolarHBondContact O-N 2.88Å; I706-F709 PolarHBondContact O-N 3.27Å; I706-L710 HydrophobicContact CG2-CD1 3.82Å; I706-L710 HydrophobicContact CG2-CG 4.36Å; I706-L710 WeakPolarHBondContact O-CB 3.2Å; I706-L710 VanDerWaalsContact O-CG 3.26Å; I706-L710 WeakPolarHBondContact O-CG 3.48Å; I706-L710 PolarHBondContact O-N 2.94Å
707R87.5Confident73.2Confident120 Ų120109.1 Ų109.145%0.45357%0.571SS.*Hα-helixtrans-59.4-41.8175.6-78.9177-78.9179.5-9.5111.7D700 E703 Q704 A711D700-R707 IonicContact OD1-NH2 2.76Å; D700-R707 PolarHBondContact OD1-NH2 3.01Å; D700-R707 IonicContact OD2-NH2 3.29Å; E703-R707 VanDerWaalsContact O-CB 3.32Å; E703-R707 WeakPolarHBondContact O-CB 3.18Å; E703-R707 VanDerWaalsContact O-CG 3.22Å; E703-R707 WeakPolarHBondContact O-CG 3.5Å; E703-R707 PolarHBondContact O-N 3.46Å; E703-R707 PolarHBondContact O-NE 2.82Å; E703-R707 IonicContact OE1-NE 2.66Å; Q704-R707 PolarHBondContact O-N 3.44Å; R707-A711 WeakPolarHBondContact O-CB 3.17Å; R707-A711 PolarHBondContact O-N 3.18Å
708R89.8Confident73.5Confident157 Ų157107.7 Ų107.759%0.59257%0.568SS**Hα-helixtrans-62.9-49.8175.1179.6-178.3175.2-134.42.7111.9Q704 E705 I706 L710 A711 E712Q704-R708 VanDerWaalsContact O-CB 3.25Å; Q704-R708 WeakPolarHBondContact O-CB 3.21Å; Q704-R708 PolarHBondContact O-N 2.97Å; E705-R708 PolarHBondContact O-N 3.39Å; E705-R708 IonicContact OE1-CZ 3.17Å; E705-R708 IonicContact OE1-NH1 3.77Å; E705-R708 PolarHBondContact OE1-NH1 3.26Å; I706-R708 VanDerWaalsContact C-N 3.32Å; I706-R708 PolarHBondContact O-N 2.88Å; R708-L710 VanDerWaalsContact C-N 3.35Å; R708-L710 PolarHBondContact O-N 3.04Å; R708-A711 PolarHBondContact O-N 3.14Å; R708-E712 WeakPolarHBondContact O-CB 3.24Å; R708-E712 PolarHBondContact O-N 3.38Å
709F89.3Confident73.3Confident123 Ų123105.8 Ų105.854%0.53957%0.567SS.*Hα-helixtrans-61.9-40.7177.8-179.5-99.4000111.7E705 I706 E712 K713E705-F709 VanDerWaalsContact O-CB 3.29Å; E705-F709 WeakPolarHBondContact O-CB 3.39Å; E705-F709 PolarHBondContact O-N 2.93Å; I706-F709 PolarHBondContact O-N 3.27Å; F709-E712 PolarHBondContact O-N 2.93Å; F709-K713 HydrophobicContact CD1-CG 3.99Å; F709-K713 HydrophobicContact CD2-CG 4.43Å; F709-K713 HydrophobicContact CE1-CD 4.25Å; F709-K713 HydrophobicContact CE1-CG 3.69Å; F709-K713 HydrophobicContact CE2-CD 4.26Å; F709-K713 HydrophobicContact CE2-CG 4.17Å; F709-K713 HydrophobicContact CG-CG 4.36Å; F709-K713 HydrophobicContact CZ-CD 3.89Å; F709-K713 HydrophobicContact CZ-CG 3.79Å; F709-K713 VanDerWaalsContact O-CB 3.28Å; F709-K713 WeakPolarHBondContact O-CB 3.38Å; F709-K713 WeakPolarHBondContact O-CG 3.46Å; F709-K713 PolarHBondContact O-N 3.02Å
710L90.8Very high72.7Confident107 Ų107105.7 Ų105.756%0.5657%0.567SS**Hα-helixtrans-64.9-42.1174.8-71.8171.4000112I706 R708 K713 A714I706-L710 HydrophobicContact CG2-CD1 3.82Å; I706-L710 HydrophobicContact CG2-CG 4.36Å; I706-L710 WeakPolarHBondContact O-CB 3.2Å; I706-L710 VanDerWaalsContact O-CG 3.26Å; I706-L710 WeakPolarHBondContact O-CG 3.48Å; I706-L710 PolarHBondContact O-N 2.94Å; R708-L710 VanDerWaalsContact C-N 3.35Å; R708-L710 PolarHBondContact O-N 3.04Å; L710-K713 PolarHBondContact O-N 3.22Å; L710-A714 WeakPolarHBondContact O-CB 3.4Å; L710-A714 PolarHBondContact O-N 3.04Å
711A84.1Confident71.7Confident50 Ų50110.5 Ų110.541%0.41358%0.584SS.*Hα-helixtrans-65.9-37.2174.900000112.6R707 R708 A714 K715R707-A711 WeakPolarHBondContact O-CB 3.17Å; R707-A711 PolarHBondContact O-N 3.18Å; R708-A711 PolarHBondContact O-N 3.14Å; A711-A714 PolarHBondContact O-N 3.46Å; A711-K715 WeakPolarHBondContact O-CG 3.34Å; A711-K715 PolarHBondContact O-N 2.89Å
712E74.8Confident69.8Low107 Ų107109 Ų10950%0.558%0.583SS.*Hα-helixtrans-69-44.7174.9-174.5167.8-165.700111.5R708 F709 A714 K715 V716R708-E712 WeakPolarHBondContact O-CB 3.24Å; R708-E712 PolarHBondContact O-N 3.38Å; F709-E712 PolarHBondContact O-N 2.93Å; E712-A714 VanDerWaalsContact C-N 3.28Å; E712-A714 PolarHBondContact O-N 2.8Å; E712-K715 PolarHBondContact O-N 2.79Å; E712-V716 WeakPolarHBondContact O-CB 3.14Å; E712-V716 VanDerWaalsContact O-CG2 3.31Å; E712-V716 WeakPolarHBondContact O-CG2 3.22Å; E712-V716 PolarHBondContact O-N 2.72Å
713K77.6Confident67.7Low123 Ų123111.8 Ų111.854%0.53560%0.599SS.*Hα-helixtrans-61.3-34.6173-71.9-66.6-62.9177.90112.4F709 L710 S717F709-K713 HydrophobicContact CD1-CG 3.99Å; F709-K713 HydrophobicContact CD2-CG 4.43Å; F709-K713 HydrophobicContact CE1-CD 4.25Å; F709-K713 HydrophobicContact CE1-CG 3.69Å; F709-K713 HydrophobicContact CE2-CD 4.26Å; F709-K713 HydrophobicContact CE2-CG 4.17Å; F709-K713 HydrophobicContact CG-CG 4.36Å; F709-K713 HydrophobicContact CZ-CD 3.89Å; F709-K713 HydrophobicContact CZ-CG 3.79Å; F709-K713 VanDerWaalsContact O-CB 3.28Å; F709-K713 WeakPolarHBondContact O-CB 3.38Å; F709-K713 WeakPolarHBondContact O-CG 3.46Å; F709-K713 PolarHBondContact O-N 3.02Å; L710-K713 PolarHBondContact O-N 3.22Å; K713-S717 WeakPolarHBondContact O-CB 3.38Å; K713-S717 PolarHBondContact O-N 2.77Å
714A72.4Confident65.2Low60 Ų60115 Ų11550%0.49662%0.619SS.*Hα-helixtrans-67.5-47.7172.200000111.7L710 A711 E712 V716 S717L710-A714 WeakPolarHBondContact O-CB 3.4Å; L710-A714 PolarHBondContact O-N 3.04Å; A711-A714 PolarHBondContact O-N 3.46Å; E712-A714 VanDerWaalsContact C-N 3.28Å; E712-A714 PolarHBondContact O-N 2.8Å; A714-V716 VanDerWaalsContact C-N 3.32Å; A714-V716 PolarHBondContact O-N 3.44Å; A714-S717 WeakPolarHBondContact O-CB 3.46Å; A714-S717 PolarHBondContact O-N 3.28Å
715K62.3Low63.1Low167 Ų167112.7 Ų112.773%0.72663%0.626SS**Hα-helixtrans-59.9-39.1176.2-77175.5175-179.90112.9A711 E712 S717A711-K715 WeakPolarHBondContact O-CG 3.34Å; A711-K715 PolarHBondContact O-N 2.89Å; E712-K715 PolarHBondContact O-N 2.79Å; K715-S717 PolarHBondContact O-N 2.89Å
716V54.5Low60.6Low110 Ų110113 Ų11367%0.66764%0.639SS**THydrogen-bonded Turntrans-73-11.31761740000112.3E712 A714E712-V716 WeakPolarHBondContact O-CB 3.14Å; E712-V716 VanDerWaalsContact O-CG2 3.31Å; E712-V716 WeakPolarHBondContact O-CG2 3.22Å; E712-V716 PolarHBondContact O-N 2.72Å; A714-V716 VanDerWaalsContact C-N 3.32Å; A714-V716 PolarHBondContact O-N 3.44Å
717S50.8Low58Low98 Ų98116.9 Ų116.969%0.68566%0.66SS**THydrogen-bonded Turntrans-89.3-3.1178.9-165.10000114.8K713 A714 K715K713-S717 WeakPolarHBondContact O-CB 3.38Å; K713-S717 PolarHBondContact O-N 2.77Å; A714-S717 WeakPolarHBondContact O-CB 3.46Å; A714-S717 PolarHBondContact O-N 3.28Å; K715-S717 PolarHBondContact O-N 2.89Å
718T50Low55.4Low121 Ų121116.9 Ų116.974%0.74268%0.677SS**SBendtrans-126.583.4177.453.20000110.6
719G45.1Very low52.6Low79 Ų79119.4 Ų119.481%0.81469%0.686SS**  trans-163.626.9-171.400000115.9
720D44.8Very low49.9Very low132 Ų132120 Ų12071%0.70670%0.695SS**SBendtrans-129158.2165.6-152.99000112.6
721K44.9Very low47.1Very low181 Ų181118.8 Ų118.879%0.78771%0.709SS**  trans-47147.5-159.2-59.6153.9-156.279.50116.9
722G33.5Very low44.4Very low64 Ų64121.8 Ų121.866%0.6673%0.727SS**  trans-136149.5161.300000111.6
723N34Very low43.2Very low168 Ų168122 Ų12290%0.89874%0.737SS**  trans94.3108.5-161.3-57.5-14.1000111.1
724D32.6Very low40.9Very low159 Ų159122 Ų12285%0.8575%0.747SS**  cis-151.8-173.8251.546.1000109.1
725G33.2Very low38.8Very low64 Ų64124.4 Ų124.466%0.6676%0.756SS**  cis116.9115.6-6.700000113.6
726S33.8Very low37.2Very low105 Ų105123.4 Ų123.473%0.73475%0.754SS**  cis-166.4175.52.2600000110.7
727L32.4Very low36Very low160 Ų160125.5 Ų125.584%0.83876%0.756SS**  trans67.3160.3175.9-84.263.4000115.2
728C33Very low35Very low120 Ų120125.5 Ų125.581%0.81176%0.756SS**  cis-139.8-164.66.4-148.30000113.7
729R30.5Very low34Very low209 Ų209128.3 Ų128.379%0.78976%0.761SS**  trans-127.6160.5-160.2-178.2-160.7166.6-153.3-3.1112.7
730N33.3Very low33.3Very low136 Ų136130.5 Ų130.573%0.72776%0.758SS**  trans101.8150.2161.1-51.3-50.5000117
731G31.3Very low32.5Very low82 Ų82131.9 Ų131.985%0.84576%0.76SS**  trans121.4124.215500000116.8
732S27.7Very low32Very low113 Ų113132.2 Ų132.279%0.7976%0.762SS**  trans-159159.3172.7-178.60000107.1
733P49.7Very low32.3Very low111 Ų111134.4 Ų134.472%0.72177%0.765SS**  cis-123.7-148.9-8.920.75.2000111.5
734V28.9Very low32Very low122 Ų122133.5 Ų133.574%0.73976%0.759SS**  trans108.198147.5176.40000119.2
735V29.1Very low31.8Very low112 Ų112133.8 Ų133.868%0.67975%0.753SS**  81.8123.3128.3168.60000122.9
736Q29.2Very low31.7Very low146 Ų146136.5 Ų136.568%0.68275%0.752SS**  trans60.6143.9148.3-75.2174.9-76.900123.2
737E27.7Very low31.5Very low153 Ų153141.4 Ų141.472%0.71576%0.76SS**  trans30.9146.7132.5-61.8155.3-141.200120.5
738S31.2Very low31.6Very low99 Ų99143 Ų14369%0.69276%0.761SS**  cis-175.4171.2-10-97.20000107.7
739E28Very low32Very low180 Ų180142.8 Ų142.884%0.84176%0.758SS**  trans64.7119.9163-66.6-174.2130.800120.5
740V30.2Very low31.9Very low124 Ų124139.6 Ų139.675%0.75275%0.752SS**  39.9119.7125.8-171.40000119.5
741Q27.9Very low31.9Very low161 Ų161139.4 Ų139.475%0.75276%0.756SS**  174.9132110.5-172.957.849.700112.5
742F34.3Very low31.9Very low189 Ų189142.2 Ų142.283%0.82975%0.747SS**  trans-84.1139.4162-86.5-88.3000110
743P39.7Very low32.1Very low110 Ų110144.1 Ų144.171%0.71475%0.748SS**  -151.3133.5112.334.1-15.9000116.9
744L27.7Very low31.3Very low149 Ų149143 Ų14378%0.7875%0.748SS**  42.5131.9120.5-160.470.7000121.9
745K29Very low31.3Very low164 Ų164145 Ų14571%0.71375%0.749SS**  trans100.9117.1143.9-105.8169.7178.9178.80121.8
746D31.1Very low31.4Very low121 Ų121146.6 Ų146.665%0.64775%0.752SS**  trans35128.2135.7-48.3-13.3000121
747F29.7Very low31.5Very low208 Ų208144.5 Ų144.591%0.91275%0.754SS**  -175.7158.2106.6-99.2-68.8000112.6
748K35.3Very low32.2Very low193 Ų193141.7 Ų141.784%0.83975%0.749SS**  trans-98.1151.6166.1-63.5-179178.9-178.50109.7
749P40.5Very low32.4Very low116 Ų116146 Ų14675%0.75376%0.755SS**  -134.2161.4104.39.713.4000111.2
750E28.3Very low32.5Very low143 Ų143145 Ų14567%0.66875%0.75SS**  cis112.3117.731.7-169.2-169.2163.600111.2Q752E750-Q752 PolarHBondContact OE1-NE2 2.92Å
751T32.5Very low32.5Very low132 Ų132145.6 Ų145.681%0.8175%0.747SS**  trans175.9111.914421.30000105.4
752Q33Very low32.7Very low141 Ų141143.1 Ų143.166%0.65975%0.748SS**  60.5128.473.5-58.3-160.649.900111.4E750E750-Q752 PolarHBondContact OE1-NE2 2.92Å
753L31.3Very low32.3Very low153 Ų153137.1 Ų137.180%0.80174%0.739SS**  cis-147.8160.439.3-72.6161.6000114.8
754A33.3Very low31.9Very low87 Ų87138.7 Ų138.772%0.71975%0.747SS**  trans64149.8149.100000119.9
755E28.4Very low32Very low163 Ų163137.2 Ų137.276%0.76275%0.748SS**  cis-155.1143.9-6.2-128.9176.1117.800111.8
756I31.8Very low32Very low147 Ų147133.7 Ų133.775%0.75475%0.75SS**  trans51.9143.9148.9-73.8169000120.8
757S30.3Very low31.9Very low102 Ų102133.3 Ų133.371%0.71376%0.757SS**  cis-170.1-165.8-25.1-142.20000109
758P41.7Very low32.7Very low94 Ų94128.6 Ų128.661%0.6175%0.747SS**  -143173.7-120.644.3-23000120.2
759K35.7Very low32.4Very low188 Ų188126.2 Ų126.282%0.81775%0.748SS**  trans64.7168.3151.3-71162.4-177.5176.40116.6
760H30.3Very low31.9Very low160 Ų160123.4 Ų123.474%0.74174%0.741SS**  cis-152-168.114.4-143.2-176.8000109.2
761I31.5Very low31.9Very low137 Ų137122.6 Ų122.670%0.70375%0.746SS**  cis-157.6-168.66.2-158.2160.9000110.4
762S30.3Very low31.7Very low108 Ų108123.2 Ų123.276%0.75574%0.739SS**  trans-66.4-179174.2-40.60000115.7
763G27.1Very low31.5Very low63 Ų63122.8 Ų122.865%0.64974%0.738SS**  cis-175.4162.66.400000111.9
764V31Very low31.3Very low144 Ų144123.7 Ų123.787%0.87373%0.73SS**  98.1141.586.3163.60000114.1
765S29Very low30.9Very low117 Ų117127.4 Ų127.482%0.81873%0.731SS**  trans76.8140.3168-161.40000117.6
766A29.3Very low31.1Very low90 Ų90130.2 Ų130.274%0.74474%0.736SS**  cis-159.9177.5-1500000112.2
767S29.5Very low31.8Very low113 Ų113128.2 Ų128.279%0.7973%0.732SS**  trans-91.9-170.8168.8-135.10000110.3
768P46.8Very low31.7Very low109 Ų109131.7 Ų131.771%0.70874%0.737SS**  cis-152.5178.235.145.6-24.4000119.9
769V27.8Very low31.1Very low143 Ų143135.8 Ų135.887%0.86775%0.752SS**  trans66.1144.4150.5164.10000118.5
770G30.1Very low30.8Very low58 Ų58131.5 Ų131.560%0.59875%0.746SS**  cis-151.3163.81.500000111.3
771T29.8Very low30.9Very low126 Ų126129 Ų12977%0.77375%0.747SS**  72.3122.161.6-60.90000112.2
772Q28.6Very low30.8Very low144 Ų144127.6 Ų127.667%0.67376%0.755SS**  cis-168.7168.3-7.3-115.5-167100.300109.5
773Q28.6Very low30.8Very low133 Ų133127.8 Ų127.862%0.62176%0.756SS**  trans49161.7144.9-72.3-162.941.600121.3
774R26.1Very low31.7Very low172 Ų172129.6 Ų129.665%0.64976%0.757SS**  cis177.5174.5-19.5-178.4175.9174.8-1650.2107.4
775F26.3Very low31.8Very low165 Ų165131.1 Ų131.172%0.72475%0.754SS**  trans84.4124.5161.5-61.4-68.1000121.1
776Y31.7Very low32Very low222 Ų222129.2 Ų129.287%0.87174%0.741SS**  trans-77.3174.5145.1-83-92.8000109.5
777P46.8Very low32.2Very low105 Ų105136.7 Ų136.768%0.68275%0.75SS**  cis-144.9177.721.945.7-26.4000118.5
778E28.3Very low32.2Very low175 Ų175135.7 Ų135.782%0.81875%0.748SS**  trans42.9116.9133.4-174.9175.5-134.800122.5
779I28.1Very low31.3Very low179 Ų179135.6 Ų135.692%0.91875%0.75SS**  trans-150.6175.8130.1-14.5171.5000111.9
780S29.6Very low31.5Very low98 Ų98134.4 Ų134.469%0.68575%0.749SS**  trans-102.1157-154.2176.80000117.6
781S32.7Very low31.5Very low109 Ų109138.7 Ų138.776%0.76276%0.763SS**  trans57.2130.214259.50000124.3
782A29.1Very low31.6Very low107 Ų107141.1 Ų141.188%0.88477%0.765SS**  trans-157.2157.3134.200000112.1
783S31Very low31.6Very low111 Ų111139.4 Ų139.478%0.77677%0.769SS**  trans-138.5164.6170-1480000107.6
784P46.4Very low31.5Very low102 Ų102139 Ų13966%0.66278%0.78SS**  -157.4159.87042.3-21.5000119
785Q33.2Very low32Very low175 Ų175136.2 Ų136.282%0.81879%0.786SS**  trans52.8167.2134.9-69.5-178.5-103.900124.4
786S32.7Very low33.2Very low77 Ų77134.1 Ų134.154%0.53879%0.789SS.*  cis179.9144.4-41.763.50000113.4
787R32.9Very low33.1Very low248 Ų248129 Ų12994%0.93679%0.787SS**  trans65.4167.7156.2-66.3175.8173.4-177.7-2.3117.2
788A28.8Very low32.5Very low91 Ų91131.6 Ų131.675%0.75279%0.794SS**  cis-136.9-160.10.800000109.6
789S29.5Very low32.8Very low107 Ų107131.3 Ų131.375%0.74880%0.797SS**  cis-165.5152.4-5.933.30000107.3
790S31Very low32.7Very low119 Ų119130.9 Ų130.983%0.83279%0.791SS**  cis96.681.918.1-1720000116.4
791V29.9Very low33.6Very low148 Ų148131.9 Ų131.990%0.89780%0.795SS**  trans-142.3159.9165.8-168.90000110.2
792Q32.8Very low33.7Very low176 Ų176130.6 Ų130.682%0.82279%0.791SS**  trans-117.1162.7-172.4-57169.3-82.100114.5
793S28.2Very low33.9Very low109 Ų109133.5 Ų133.576%0.76279%0.792SS**  trans86.2151.6139.376.60000122.6
794C27Very low33.9Very low124 Ų124131.4 Ų131.484%0.83879%0.788SS**  trans80.2141.3158.4-63.40000121.6
795S36Very low33.3Very low113 Ų113132 Ų13279%0.7980%0.802SS**  trans-109.6-164.5165.7-37.80000108.1
796P52.7Low33.2Very low121 Ų121127 Ų12779%0.78680%0.797SS**  cis-135.4169.2-16.440.9-25000115.2
797S29.1Very low33.5Very low116 Ų116128 Ų12881%0.81181%0.81SS**  trans-178.8144.6149.749.80000109.4
798L33.6Very low33.7Very low159 Ų159122.2 Ų122.283%0.83280%0.802SS**  cis96.894.621.1-161.8170.3000114.1
799L34.5Very low34Very low169 Ų169126.6 Ų126.689%0.88580%0.804SS**  trans-172.5144.4140.7-105.5167.1000112.8
800E27.2Very low34Very low170 Ų170128.7 Ų128.779%0.79481%0.807SS**  trans-98.3174.1168.6-117.1-175.1125.400109.4
801P47.6Very low34Very low119 Ų119130.8 Ų130.877%0.77380%0.803SS**  cis-124.7-153.135.529.9-4000111.8
802A34Very low34.5Very low82 Ų82131.8 Ų131.868%0.67880%0.798SS**  cis-160.6-168.918.400000115
803D34.8Very low34.1Very low167 Ų167135.2 Ų135.289%0.89380%0.804SS**  trans-62.7155.5-174.1-57.4-61.4000116.9
804G30.7Very low34.2Very low67 Ų67140.5 Ų140.569%0.69181%0.807SS**  cis171.5168-4.900000115.6
805A34.1Very low35.2Very low116 Ų116139 Ų13996%0.95980%0.796SS**  trans57.6128.1172.700000118.9
806G30.9Very low34.8Very low69 Ų69140.2 Ų140.271%0.71179%0.793SS**  cis-166.7135.4-8.600000109.2
807A37.5Very low33.7Very low99 Ų99140.1 Ų140.182%0.81879%0.791SS**  72.5125.28100000112.8
808T37.6Very low33.7Very low125 Ų125139.4 Ų139.477%0.76779%0.792SS**  cis-141.6136.424.844.50000111
809K34.9Very low33.4Very low183 Ų183141.8 Ų141.880%0.79679%0.79SS**  65.513378.4-83.1-179.2-179.1176.40114.1
810N30.9Very low33.2Very low151 Ų151140 Ų14081%0.80778%0.781SS**  cis-136.6160.220.3-75.7-54.7000114.8
811Q29.1Very low33.2Very low163 Ų163135.4 Ų135.476%0.76278%0.78SS**  trans-134.1158.5160-112.7-121.743.700109.5
812Q40.4Very low32.3Very low169 Ų169137.1 Ų137.179%0.7978%0.782SS**  trans60.1145.7161.6-89.3168.75.600121.8
813R26Very low32.3Very low249 Ų249140.7 Ų140.794%0.9479%0.788SS**  trans-137.9134.4140.7-133.9-167.4-168.1-156.43.9112.1
814R28.9Very low32.1Very low220 Ų220139.8 Ų139.883%0.8378%0.782SS**  trans-95.8-171162.7-114.9179.4-176.3164.70.4107.6
815P48.9Very low32.2Very low92 Ų92140.2 Ų140.260%0.59779%0.787SS**  cis-137.2-158.4-25.532.3-9.3000112.2
816N28Very low32.2Very low139 Ų139139.9 Ų139.974%0.74378%0.778SS**  trans74.2157.4152.5-64.4-3.1000119.1
817T29.5Very low32.4Very low119 Ų119145.6 Ų145.673%0.7379%0.786SS**  cis-175.4153.6-38.6380000107.5
818A28.3Very low32.2Very low101 Ų101149.8 Ų149.884%0.83579%0.789SS**  trans67.6167.5166.300000117
819R27.8Very low32Very low208 Ų208148 Ų14879%0.78579%0.787SS**  cis-178.9136-39.9172.8172.7171179.5-3.8107.8
820D29.3Very low31.7Very low132 Ų132147.1 Ų147.171%0.70679%0.791SS**  trans51.2132.8165.4-56.6-12.4000120.3
821G28.7Very low31.8Very low74 Ų74151.2 Ų151.276%0.76380%0.795SS**  trans141.579.7144.300000121.2
822L28.5Very low31.9Very low155 Ų155147.1 Ų147.181%0.81280%0.796SS**  trans64.8148.4156.3-11648.4000116.6
823I32.6Very low31.7Very low157 Ų157150.4 Ų150.481%0.80580%0.802SS**  cis-134.1151.631.3-46.7177000112
824N32.4Very low32.3Very low147 Ų147144.1 Ų144.179%0.78679%0.793SS**  trans-70.6163.7172.3-49.8-52.2000111.9
825G31Very low32.7Very low77 Ų77138.4 Ų138.479%0.79479%0.793SS**  cis-162.9-162.21.700000108.9
826S34.9Very low32.3Very low109 Ų109138.8 Ų138.876%0.76280%0.798SS**  cis-150.81411357.20000113.4
827Q35.8Very low32.9Very low188 Ų188135.2 Ų135.288%0.87978%0.784SS**  trans46.6120.5144.5-58.9-174.48.300121.8
828Q33.3Very low33.9Very low187 Ų187134.5 Ų134.587%0.87478%0.781SS**  trans-19.1155.6137.1-75.8176.8-24.200117.3
829A31.7Very low35.1Very low89 Ų89133.8 Ų133.874%0.73676%0.763SS**  cis-167.4169-5.900000110.3
830D30.5Very low36.2Very low163 Ų163130.4 Ų130.487%0.87275%0.752SS**  trans-139155.2151.7-161.12.2000110.3
831R32.8Very low37.6Very low237 Ų237127.2 Ų127.289%0.89474%0.743SS**  trans-107.4125.4-170-84-175.2170.3-171-2113.5
832G29.7Very low39.3Very low77 Ų77130.5 Ų130.579%0.79473%0.733SS**  69.260.511500000118.1
833R37Very low41.1Very low238 Ų238126.1 Ų126.190%0.89872%0.715SS**PPolyproline II helixtrans-70.8130.9154.2-178.7179.1-100.6-92.23.1108.6
834P38.6Very low43.1Very low117 Ų117121 Ų12176%0.7669%0.689SS**PPolyproline II helixtrans-66.2141.1-179.426.5-34.4000111.4S836P834-S836 PolarHBondContact O-N 3.43Å
835A37.2Very low45Very low101 Ų101116.4 Ų116.484%0.83567%0.671SS**PPolyproline II helixtrans-68.9127171.100000109.6S837A835-S837 PolarHBondContact O-N 2.95Å
836S39.6Very low47.2Very low99 Ų99116.7 Ų116.769%0.69265%0.652SS**PPolyproline II helixtrans-62.7131.1175.8520000110.7P834P834-S836 PolarHBondContact O-N 3.43Å
837S42.3Very low49Very low64 Ų64113.6 Ų113.645%0.44863%0.63SS.*PPolyproline II helixtrans-50.4136-177.4178.30000112.7A835 N839 Y840A835-S837 PolarHBondContact O-N 2.95Å; S837-N839 PolarHBondContact O-N 2.91Å; S837-Y840 PolarHBondContact O-N 3.44Å
838P50.8Low51.3Low104 Ų104106.5 Ų106.568%0.67560%0.598SS**Hα-helixtrans-51.7-30.3178.9-28.735.5000114.1Y840 A841 R842P838-Y840 PolarHBondContact O-N 3.35Å; P838-A841 PolarHBondContact O-N 2.92Å; P838-R842 PolarHBondContact O-N 3.21Å; P838-R842 VanDerWaalsContact O-N 3.14Å
839N51.7Low53.7Low87 Ų87104.5 Ų104.547%0.46559%0.586SS.*Hα-helixtrans-60.8-30.7179.2-61.9-15.4000112.8S837 S843S837-N839 PolarHBondContact O-N 2.91Å; N839-S843 VanDerWaalsContact O-CB 3.27Å; N839-S843 WeakPolarHBondContact O-CB 3.24Å; N839-S843 PolarHBondContact O-N 3.44Å
840Y52.2Low55.8Low137 Ų137108.2 Ų108.254%0.53758%0.581SS.*Hα-helixtrans-71.4-41.4178.6-172.9-98.5000112S837 P838 R842 L844S837-Y840 PolarHBondContact O-N 3.44Å; P838-Y840 PolarHBondContact O-N 3.35Å; Y840-R842 VanDerWaalsContact C-N 3.35Å; Y840-L844 WeakPolarHBondContact O-CB 3.39Å; Y840-L844 PolarHBondContact O-N 3.46Å
841A58.7Low58.3Low64 Ų64105.4 Ų105.453%0.52956%0.559SS.*Hα-helixtrans-65.7-39.6176.100000111.6P838 A845P838-A841 PolarHBondContact O-N 2.92Å; A841-A845 WeakPolarHBondContact O-CB 3.41Å; A841-A845 PolarHBondContact O-N 2.87Å
842R64.4Low60.4Low144 Ų14499.4 Ų99.454%0.54354%0.541SS..Hα-helixtrans-64.9-49.9176.3-172.1164.1-173.9154.52.2111.8P838 Y840 L844 A845 E846P838-R842 PolarHBondContact O-N 3.21Å; P838-R842 VanDerWaalsContact O-N 3.14Å; Y840-R842 VanDerWaalsContact C-N 3.35Å; R842-L844 VanDerWaalsContact C-N 3.33Å; R842-L844 PolarHBondContact O-N 2.95Å; R842-A845 PolarHBondContact O-N 3.44Å; R842-E846 WeakPolarHBondContact CG-OE1 3.38Å; R842-E846 IonicContact NE-OE1 2.95Å; R842-E846 PolarHBondContact NE-OE1 3.08Å; R842-E846 WeakPolarHBondContact O-CG 3.21Å; R842-E846 PolarHBondContact O-N 2.85Å
843S66.6Low62.5Low63 Ų63100 Ų10044%0.44153%0.533SS..Hα-helixtrans-62.3-36.8176.3-174.30000112.9N839 S847N839-S843 VanDerWaalsContact O-CB 3.27Å; N839-S843 WeakPolarHBondContact O-CB 3.24Å; N839-S843 PolarHBondContact O-N 3.44Å; S843-S847 WeakPolarHBondContact O-CB 3.01Å; S843-S847 PolarHBondContact O-N 2.98Å
844L73.2Confident64.3Low49 Ų4994 Ų9426%0.25752%0.518SS..Hα-helixtrans-63.8-47.5173.5-177.263.4000111.1Y840 R842 E846 S847 I848Y840-L844 WeakPolarHBondContact O-CB 3.39Å; Y840-L844 PolarHBondContact O-N 3.46Å; R842-L844 VanDerWaalsContact C-N 3.33Å; R842-L844 PolarHBondContact O-N 2.95Å; L844-E846 VanDerWaalsContact C-N 3.35Å; L844-E846 PolarHBondContact O-N 2.91Å; L844-S847 PolarHBondContact O-N 2.6Å; L844-S847 PolarHBondContact O-OG 2.92Å; L844-I848 HydrophobicContact CD1-CD1 4.37Å; L844-I848 HydrophobicContact CG-CD1 4.1Å; L844-I848 VanDerWaalsContact O-CG1 3.31Å; L844-I848 WeakPolarHBondContact O-CG1 3.4Å; L844-I848 PolarHBondContact O-N 3.2Å
845A74.1Confident65.8Low50 Ų5091.7 Ų91.741%0.41352%0.516SS..Hα-helixtrans-61.4-41177.700000112.6A841 R842 I848 K849A841-A845 WeakPolarHBondContact O-CB 3.41Å; A841-A845 PolarHBondContact O-N 2.87Å; R842-A845 PolarHBondContact O-N 3.44Å; A845-I848 PolarHBondContact O-N 2.99Å; A845-K849 WeakPolarHBondContact O-CG 3.18Å; A845-K849 PolarHBondContact O-N 2.82Å
846E75.6Confident67.8Low84 Ų8490.9 Ų90.939%0.39350%0.497SS..Hα-helixtrans-62.7-44.5173.1-72.8155.8-174.500111.2R842 L844 I848 K849 W850R842-E846 WeakPolarHBondContact CG-OE1 3.38Å; R842-E846 IonicContact NE-OE1 2.95Å; R842-E846 PolarHBondContact NE-OE1 3.08Å; R842-E846 WeakPolarHBondContact O-CG 3.21Å; R842-E846 PolarHBondContact O-N 2.85Å; L844-E846 VanDerWaalsContact C-N 3.35Å; L844-E846 PolarHBondContact O-N 2.91Å; E846-I848 PolarHBondContact O-N 3.42Å; E846-K849 PolarHBondContact O-N 3.5Å; E846-W850 PolarHBondContact O-N 2.9Å
847S74.3Confident69.4Low43 Ų4391.2 Ų91.230%0.30150%0.497SS..Hα-helixtrans-64-26.917682.30000113.7S843 L844 R851S843-S847 WeakPolarHBondContact O-CB 3.01Å; S843-S847 PolarHBondContact O-N 2.98Å; L844-S847 PolarHBondContact O-N 2.6Å; L844-S847 PolarHBondContact O-OG 2.92Å; S847-R851 WeakPolarHBondContact O-CD 3.38Å; S847-R851 VanDerWaalsContact O-CG 3.25Å; S847-R851 WeakPolarHBondContact O-CG 3.31Å; S847-R851 PolarHBondContact O-N 3.1Å
848I82.8Confident71.2Confident39 Ų3992.3 Ų92.320%0.250%0.497CS..Hα-helixtrans-75.5-44.9174.7-70169.4000110L844 A845 E846 W850 R851 Q852 I858L844-I848 HydrophobicContact CD1-CD1 4.37Å; L844-I848 HydrophobicContact CG-CD1 4.1Å; L844-I848 VanDerWaalsContact O-CG1 3.31Å; L844-I848 WeakPolarHBondContact O-CG1 3.4Å; L844-I848 PolarHBondContact O-N 3.2Å; A845-I848 PolarHBondContact O-N 2.99Å; E846-I848 PolarHBondContact O-N 3.42Å; I848-W850 PolarHBondContact O-N 3.13Å; I848-R851 PolarHBondContact O-N 2.9Å; I848-R851 VanDerWaalsContact O-N 3.1Å; I848-Q852 HydrophobicContact CG2-CG 4.47Å; I848-Q852 WeakPolarHBondContact O-CG 3Å; I848-Q852 PolarHBondContact O-N 3.44Å; I848-I858 HydrophobicContact CD1-CG2 4.32Å; I848-I858 HydrophobicContact CG1-CG2 4.09Å; I848-I858 HydrophobicContact CG2-CD1 4.32Å; I848-I858 HydrophobicContact CG2-CG1 4.35Å; I848-I858 HydrophobicContact CG2-CG2 3.89Å
849K84.6Confident72Confident145 Ų14590 Ų9063%0.6348%0.481SS*.Hα-helixtrans-57.5-46.9173.1-71.2178.8176.8-173.80111.7A845 E846 R851 Q852 S853A845-K849 WeakPolarHBondContact O-CG 3.18Å; A845-K849 PolarHBondContact O-N 2.82Å; E846-K849 PolarHBondContact O-N 3.5Å; K849-R851 PolarHBondContact O-N 3.23Å; K849-Q852 WeakPolarHBondContact O-CB 2.86Å; K849-Q852 PolarHBondContact O-N 2.9Å; K849-S853 PolarHBondContact O-N 2.81Å; K849-S853 PolarHBondContact O-OG 3.28Å
850W75.8Confident72.3Confident167 Ų16789.7 Ų89.763%0.63348%0.48SS*.Hα-helixtrans-62.5-25.7175.5-88.7100.4000114.1E846 I848 S853 L854E846-W850 PolarHBondContact O-N 2.9Å; I848-W850 PolarHBondContact O-N 3.13Å; W850-S853 PolarHBondContact O-OG 2.8Å; W850-L854 WeakPolarHBondContact O-CD1 3.38Å; W850-L854 VanDerWaalsContact O-CG 3.31Å; W850-L854 WeakPolarHBondContact O-CG 3.28Å
851R83.3Confident72.5Confident104 Ų10487.8 Ų87.839%0.39249%0.485SS..Hα-helixtrans-81.7-38.7173.2-75.6172-176.7-73.8-8.5111.7S847 I848 K849 L854 G855 L856S847-R851 WeakPolarHBondContact O-CD 3.38Å; S847-R851 VanDerWaalsContact O-CG 3.25Å; S847-R851 WeakPolarHBondContact O-CG 3.31Å; S847-R851 PolarHBondContact O-N 3.1Å; I848-R851 PolarHBondContact O-N 2.9Å; I848-R851 VanDerWaalsContact O-N 3.1Å; K849-R851 PolarHBondContact O-N 3.23Å; R851-L854 CarbonylContact O-C 3.44Å; R851-L854 PolarHBondContact O-N 2.98Å; R851-G855 PolarHBondContact O-N 3.43Å; R851-L856 HydrophobicContact CB-CB 4.12Å; R851-L856 HydrophobicContact CG-CB 4.27Å; R851-L856 PolarHBondContact O-N 3.12Å
852Q77.2Confident72.3Confident111 Ų11194.7 Ų94.752%0.51950%0.497SS..Hα-helixtrans-61.3-45.6175.1-73.1169.8-31.900112I848 K849 L854 G855 I858I848-Q852 HydrophobicContact CG2-CG 4.47Å; I848-Q852 WeakPolarHBondContact O-CG 3Å; I848-Q852 PolarHBondContact O-N 3.44Å; K849-Q852 WeakPolarHBondContact O-CB 2.86Å; K849-Q852 PolarHBondContact O-N 2.9Å; Q852-L854 PolarHBondContact O-N 3.25Å; Q852-G855 PolarHBondContact O-N 3.2Å; Q852-G855 VanDerWaalsContact O-N 3.16Å; Q852-I858 HydrophobicContact CG-CD1 3.8Å; Q852-I858 HydrophobicContact CG-CG1 4.11Å
853S73.3Confident71.4Confident89 Ų8991.1 Ų91.162%0.62250%0.498SS*.THydrogen-bonded Turntrans-65.8-23.4177.758.10000114K849 W850K849-S853 PolarHBondContact O-N 2.81Å; K849-S853 PolarHBondContact O-OG 3.28Å; W850-S853 PolarHBondContact O-OG 2.8Å
854L73.8Confident70.4Confident112 Ų11293 Ų9359%0.58650%0.502SS*.THydrogen-bonded Turntrans-97.88176.5-63.4176.4000113.5W850 R851 Q852 L856W850-L854 WeakPolarHBondContact O-CD1 3.38Å; W850-L854 VanDerWaalsContact O-CG 3.31Å; W850-L854 WeakPolarHBondContact O-CG 3.28Å; R851-L854 CarbonylContact O-C 3.44Å; R851-L854 PolarHBondContact O-N 2.98Å; Q852-L854 PolarHBondContact O-N 3.25Å; L854-L856 HydrophobicContact CB-CD1 4.05Å; L854-L856 HydrophobicContact CB-CG 3.94Å; L854-L856 HydrophobicContact CD1-CD1 4.34Å; L854-L856 PolarHBondContact O-N 3.07Å; L854-L856 VanDerWaalsContact O-N 3.15Å
855G71.1Confident68.9Low70 Ų7098.2 Ų98.272%0.72253%0.531SS*.THydrogen-bonded Turntrans64.314.8-177.600000114.9R851 Q852R851-G855 PolarHBondContact O-N 3.43Å; Q852-G855 PolarHBondContact O-N 3.2Å; Q852-G855 VanDerWaalsContact O-N 3.16Å
856L79.2Confident67.1Low83 Ų83106 Ų10644%0.43555%0.549SS..PPolyproline II helixtrans-85.8145.4-175.6-63.2178.7000111.6R851 L854 I858R851-L856 HydrophobicContact CB-CB 4.12Å; R851-L856 HydrophobicContact CG-CB 4.27Å; R851-L856 PolarHBondContact O-N 3.12Å; L854-L856 HydrophobicContact CB-CD1 4.05Å; L854-L856 HydrophobicContact CB-CG 3.94Å; L854-L856 HydrophobicContact CD1-CD1 4.34Å; L854-L856 PolarHBondContact O-N 3.07Å; L854-L856 VanDerWaalsContact O-N 3.15Å; L856-I858 PolarHBondContact O-N 2.84Å
857P72.1Confident65.4Low107 Ų107108 Ų10870%0.69557%0.568SS**PPolyproline II helixtrans-61.6135.3-179.824.2-33.8000112.2
858I80.4Confident63.9Low87 Ų87111 Ų11145%0.44659%0.586SS.*PPolyproline II helixtrans-74.8131.1178.5-57.9171.8000109.3I848 Q852 L856I848-I858 HydrophobicContact CD1-CG2 4.32Å; I848-I858 HydrophobicContact CG1-CG2 4.09Å; I848-I858 HydrophobicContact CG2-CD1 4.32Å; I848-I858 HydrophobicContact CG2-CG1 4.35Å; I848-I858 HydrophobicContact CG2-CG2 3.89Å; Q852-I858 HydrophobicContact CG-CD1 3.8Å; Q852-I858 HydrophobicContact CG-CG1 4.11Å; L856-I858 PolarHBondContact O-N 2.84Å
859P67.6Low61.5Low54 Ų54117.5 Ų117.535%0.35161%0.613SS.*PPolyproline II helixtrans-65.6133.1173.5-19.532.4000112P861P859-P861 WeakPolarHBondContact O-CD 3.34Å
860D57.9Low58.8Low82 Ų82119 Ų11944%0.43962%0.622SS.*PPolyproline II helixtrans-66.4121.7170.2179.1-4.6000109.5R862 A863D860-R862 PolarHBondContact O-N 3.19Å; D860-R862 WeakPolarHBondContact OD1-CB 3.28Å; D860-R862 PolarHBondContact OD1-N 2.77Å; D860-R862 IonicContact OD1-NE 3.97Å; D860-A863 HydrophobicContact CB-CB 4.37Å; D860-A863 WeakPolarHBondContact O-CB 3.45Å; D860-A863 PolarHBondContact O-N 2.82Å
861P57.1Low56.5Low97 Ų97118 Ų11863%0.6363%0.627SS**THydrogen-bonded Turntrans-60.4-15.7178.324.5-34.7000114P859P859-P861 WeakPolarHBondContact O-CD 3.34Å
862R54.4Low53.9Low209 Ų209119.3 Ų119.379%0.78965%0.647SS**THydrogen-bonded Turntrans-83-9.3172-78.8176-76.4-149.3-7.8114.7D860D860-R862 PolarHBondContact O-N 3.19Å; D860-R862 WeakPolarHBondContact OD1-CB 3.28Å; D860-R862 PolarHBondContact OD1-N 2.77Å; D860-R862 IonicContact OD1-NE 3.97Å
863A44.7Very low51.5Low68 Ų68119.9 Ų119.956%0.56266%0.664SS**SBendtrans-80.9-15.3-178.900000114.4D860 N865D860-A863 HydrophobicContact CB-CB 4.37Å; D860-A863 WeakPolarHBondContact O-CB 3.45Å; D860-A863 PolarHBondContact O-N 2.82Å; A863-N865 PolarHBondContact O-N 2.7Å
864L45.7Very low49.3Very low102 Ų102121.7 Ų121.753%0.53468%0.676SS.*  trans-77.522.7-170.5-76.7166.7000115.8
865N42.3Very low47.1Very low159 Ų159121.1 Ų121.185%0.8567%0.67SS**  trans-110.343.7173.1-75.4-57000112.2A863A863-N865 PolarHBondContact O-N 2.7Å
866R36.4Very low45.2Very low215 Ų215126.4 Ų126.481%0.81167%0.668SS**  trans-141.5109.4170.4-152171-169.8176.12.8111.7
867T40.1Very low42.8Very low126 Ų126133.9 Ų133.977%0.77369%0.691SS**  trans-75.3165.3-177.133.80000112.9
868P42.8Very low40.7Very low106 Ų106135.1 Ų135.169%0.68869%0.692SS**  trans-83.2154.1-162.232.9-36.7000114.2H870P868-H870 PolarHBondContact O-N 2.88Å
869F31.7Very low38.3Very low175 Ų175136.7 Ų136.777%0.76871%0.706SS**  trans-89.691.2168-77.4-76.9000111.4I871F869-I871 HydrophobicContact CD1-CD1 4.25Å; F869-I871 HydrophobicContact CD1-CG1 4.5Å
870H28.9Very low36.4Very low175 Ų175139.5 Ų139.581%0.8173%0.727SS**  trans-87.6126.4146.6-72.3-92.3000108P868P868-H870 PolarHBondContact O-N 2.88Å
871I26.7Very low35Very low146 Ų146140 Ų14075%0.74974%0.736SS**  trans-129.4105.1164-62.7-178.1000107.3F869F869-I871 HydrophobicContact CD1-CD1 4.25Å; F869-I871 HydrophobicContact CD1-CG1 4.5Å
872T29.2Very low33.6Very low133 Ų133142.4 Ų142.482%0.81674%0.744SS**  trans-75.9146.2160.340.40000109.4
873S25.6Very low32.4Very low123 Ų123138 Ų13886%0.8674%0.736SS**  trans-75.3143.7171.640.10000110.9
874S28.4Very low31.7Very low127 Ų127145.2 Ų145.289%0.88875%0.749SS**  trans-138.5141.8170.4-174.70000109.8
875E27.9Very low30.9Very low99 Ų99146.5 Ų146.546%0.46376%0.756SS.*  trans-118114.2-172.1177.9159.4-16000112.4Q434Q434-E875 PolarHBondContact NE2-OE2 3.14Å
876R30.9Very low30.5Very low181 Ų181146.7 Ų146.768%0.68376%0.756SS**  trans32.4116143.4-60.2176.6-88.6-103.93.4118
877R28.9Very low30.1Very low241 Ų241145.8 Ų145.891%0.90976%0.758SS**  -155.7141.8127.1-121-175.7-61.3-179.95.1114.9
878D26.7Very low29.8Very low133 Ų133145 Ų14571%0.71176%0.758SS**  trans-69.2169.9173.9-45.9-93000112
879T30.3Very low29.1Very low120 Ų120149 Ų14974%0.73677%0.767SS**  cis-165.916914-14.50000111.5
880S27.8Very low29.2Very low113 Ų113146.9 Ų146.979%0.7977%0.769SS**  trans71.9154.314673.80000119.5
881S29Very low29.9Very low91 Ų91144.2 Ų144.264%0.63677%0.767SS**  cis-172.4138.9-19162.10000111
882D28Very low30.1Very low149 Ų149141.8 Ų141.880%0.79777%0.769SS**  trans-167.7119.9137-102.4-14.7000109
883N28.3Very low30.1Very low116 Ų116140.7 Ų140.762%0.6277%0.773SS**  79.687.170.9-79.1-47.3000115.8
884R30.9Very low30.3Very low219 Ų219137.9 Ų137.983%0.82676%0.764SS**  -172.914797.5-101.1171.6-80.5-163.4-6.1115.9
885D28.3Very low30.3Very low130 Ų130144 Ų14470%0.69577%0.767SS**  trans38.2123.9147-54.8-50.3000122.2
886L34.3Very low30.3Very low163 Ų163145 Ų14585%0.85378%0.784SS**  176.688.6108.7-97146.8000115.7S888L886-S888 PolarHBondContact O-N 3.07Å
887K27.9Very low30.2Very low196 Ų196141.7 Ų141.785%0.85279%0.789SS**  trans14.998.1134.6-172.2-177.2179.6178.30119.9
888S32.5Very low30.4Very low110 Ų110135.6 Ų135.677%0.76978%0.783SS**  trans-165.5116.7139.649.20000109.2L886L886-S888 PolarHBondContact O-N 3.07Å
889Q28.5Very low30.6Very low188 Ų188140.8 Ų140.888%0.87979%0.793SS**  66.4113.763.5-113.4-176.2-1.100115.8
890T35.3Very low30.6Very low131 Ų131139.9 Ų139.980%0.80479%0.792SS**  trans-101.3133.4178-48.60000111.9
891P42.8Very low30.6Very low120 Ų120139 Ų13978%0.77979%0.785SS**  trans-100.8130154.533.9-26000110.1
892A30.2Very low30.7Very low94 Ų94146.2 Ų146.278%0.77780%0.798SS**  cis899315.200000117.1
893A30.5Very low30.8Very low110 Ų110142.4 Ų142.491%0.90980%0.795SS**  trans-170.3136.514600000110.1
894G28Very low31.7Very low64 Ų64142 Ų14266%0.6680%0.799SS**  cis173.7160.2-12.200000113.8
895W29.7Very low31.6Very low255 Ų255140.8 Ų140.897%0.96680%0.8SS**  trans64.1152.5153-60.8-9.9000119.9
896C28.4Very low31.6Very low121 Ų121140 Ų14082%0.81880%0.804SS**  cis-159.3173.8-22.6-110.70000111
897S27.8Very low31.2Very low111 Ų111136.5 Ų136.578%0.77680%0.799SS**  trans-83.8148.6-172.11770000115.7
898S33.5Very low31.3Very low113 Ų113132.4 Ų132.479%0.7980%0.795SS**  trans178.6152.3130.2-85.80000117.5
899R31.1Very low31.2Very low242 Ų242132.5 Ų132.591%0.91379%0.791SS**  trans78.198.7154-82.6-174.4159.7-142-4123.8
900S29Very low31.3Very low102 Ų102132 Ų13271%0.71379%0.789SS**  74.596.2108.4-1490000124.1
901S28.9Very low31.2Very low93 Ų93131.8 Ų131.865%0.6579%0.787SS**  78.5135.1116.3770000124.5
902R31.2Very low30.7Very low243 Ų243132.3 Ų132.392%0.91778%0.783SS**  trans80.3128.8159.5-54-175.2-167.5-122.80.3119.1
903G28.8Very low30.7Very low70 Ų70131 Ų13172%0.72278%0.779SS**  trans-102.5-139.9151.900000109.7
904P49.1Very low30.7Very low108 Ų108131.6 Ų131.670%0.70177%0.767SS**  cis-138.7-167.2-5.326.7-0.2000114.3
905F27.6Very low30.8Very low193 Ų193134.2 Ų134.285%0.84677%0.77SS**  trans79.1156.4158.8-67.8-64.1000122.5
906S28.3Very low30.8Very low112 Ų112128.1 Ų128.178%0.78376%0.761SS**  trans65.8125.5165.4-57.60000118
907A25.7Very low30.9Very low91 Ų91127.1 Ų127.175%0.75276%0.761SS**  cis88148.526.700000115.8
908S29.9Very low31.1Very low109 Ų109132.9 Ų132.976%0.76277%0.766SS**  trans68118.8175.6-73.20000116.6
909T30.4Very low32.4Very low113 Ų113132.7 Ų132.769%0.69376%0.762SS**  cis99.7132.640.6550000113.2
910E31.4Very low33.5Very low177 Ų177126.3 Ų126.383%0.82775%0.752SS**  trans66.6170.1159.3-66.7171.416300116.3
911T33.6Very low33.5Very low127 Ų127127 Ų12778%0.77975%0.752SS**  cis-145.8169.6-7.3-2.50000106.9
912D30.6Very low33.8Very low130 Ų130129.2 Ų129.270%0.69576%0.756SS**  cis-128.8-95.50.2170.438.2000109.2N914D912-N914 PolarHBondContact OD2-ND2 3.42Å
913G31.8Very low33.8Very low66 Ų66127 Ų12768%0.6875%0.753SS**  cis149.8140.9-17.200000114.8
914N30.7Very low34Very low123 Ų123130.9 Ų130.966%0.65875%0.75SS**  cis-168.2158.3-13.6-150.4-42.5000109.8D912D912-N914 PolarHBondContact OD2-ND2 3.42Å
915V29.2Very low33.2Very low120 Ų120134 Ų13473%0.72775%0.753SS**  trans58.5163.7169.2-115.30000116.3
916T29.3Very low33.5Very low126 Ų126130 Ų13077%0.77375%0.749SS**  cis-152.8167.88.2-27.80000112.4
917A30.3Very low33.7Very low100 Ų100129.1 Ų129.183%0.82675%0.748SS**  trans82.9164.9145.200000121.1
918R32.9Very low34.2Very low232 Ų232128.8 Ų128.888%0.87575%0.746SS**  trans-161.8171.9-155.3-169.6-158.4-171.2-1685.5108
919P61.4Low34.4Very low109 Ų109133.4 Ų133.471%0.70875%0.746SS**  -83-116.8-70.226.3-4.6000108.4
920P53.5Low34.7Very low109 Ų109133.5 Ų133.571%0.70874%0.739SS**  cis-134.1-164.4-31.927.1-1.6000115.4
921V29.1Very low34.8Very low117 Ų117132.7 Ų132.771%0.70974%0.735SS**  trans102.290.4152.8-165.70000119.9
922L35.1Very low34.7Very low139 Ų139131.1 Ų131.173%0.72873%0.729SS**  41.4139.2127.2-58.6172.9000124.2
923K31.4Very low34.8Very low196 Ų196134.1 Ų134.185%0.85274%0.736SS**  trans122151.9139.8-68.7-177.8-178.1-1790114.6
924F32.1Very low34.9Very low151 Ų151138.3 Ų138.366%0.66274%0.74SS**  cis178134.9-44.8-116.1-55.1000108.3
925F32.2Very low35.1Very low173 Ų173137.5 Ų137.576%0.75974%0.74SS**  trans64.4131.7165.2-62.5-58.4000117.3
926S34Very low35.3Very low110 Ų110140.4 Ų140.477%0.76974%0.742SS**  82141.658.6-62.40000114.1
927A32.6Very low35.5Very low93 Ų93139.4 Ų139.477%0.76974%0.736SS**  cis-172.3178.4-10.700000112.2
928A35.7Very low35.6Very low85 Ų85143.4 Ų143.470%0.70274%0.738SS**  trans92134.4140.300000123.8
929R35Very low35.4Very low205 Ų205136.5 Ų136.577%0.77473%0.725SS**  trans67.9142.7142.9-72.3171174-96.91.8118.9
930Q37Very low33.9Very low116 Ų116139 Ų13954%0.54273%0.732SS.*  cis-176.9153.514.7-120.8164.8-56.800112.5
931H33.8Very low32.9Very low160 Ų160140 Ų14074%0.74174%0.736SS**  trans61.7137.1147.7-57.1-48.2000124.8
932S30.4Very low34.2Very low94 Ų94140.5 Ų140.566%0.65774%0.742SS**  139.1122.9103.6-157.60000117.9
933K33.7Very low34.1Very low193 Ų193137.2 Ų137.284%0.83974%0.742SS**  trans59.2178.8150.6-67.5174.5-176-176.60119.9
934M34.5Very low34.4Very low154 Ų154135.9 Ų135.976%0.75974%0.744SS**  -172.2135.5-67-118.4-175.181.200111.7
935T34.6Very low34.5Very low106 Ų106138.8 Ų138.865%0.6575%0.75SS**  trans62.5135.6146.550.90000125.9
936F32.6Very low34.7Very low180 Ų180134.7 Ų134.779%0.78974%0.743SS**  106.9104.4127.7-101.7-125.9000125.4
937T34.4Very low34.8Very low105 Ų105135.8 Ų135.864%0.64474%0.736SS**  69.5159.8124.859.20000126.6
938Q31.1Very low34.6Very low184 Ų184139.6 Ų139.686%0.8674%0.736SS**  trans88.2155.4161.1-71.8-168.7-18.600120.8
939S30.1Very low34.4Very low87 Ų87140.6 Ų140.661%0.60874%0.737SS**  cis178.9163.5-48.352.70000114.2
940L29.9Very low34.2Very low163 Ų163138.1 Ų138.185%0.85374%0.737SS**  trans90.1170.9158.2-58.2179.9000122.1
941T32.7Very low33.8Very low130 Ų130140.6 Ų140.680%0.79875%0.748SS**  trans-136.4-124.7-147.540.90000118.7
942P54.5Low33.7Very low127 Ų127142.4 Ų142.483%0.82576%0.757SS**  -128.2-175.7-106.439.3-21.7000119.2
943G33.1Very low33.8Very low70 Ų70141.4 Ų141.472%0.72276%0.761SS**  trans166.7125.1155.300000124.3
944N37.6Very low33.9Very low168 Ų168144.1 Ų144.190%0.89877%0.766SS**  trans62.3130135.9-61.8-21.1000128
945R35Very low33.8Very low212 Ų212141.6 Ų141.680%0.877%0.77SS**  152.810896.4-163.9173.8-164.9-77.1-0.9120.6
946S36.1Very low33.9Very low87 Ų87141.8 Ų141.861%0.60878%0.776SS**  56.3134.8129.6-146.30000128.9
947Q36.8Very low33.9Very low132 Ų132139.3 Ų139.362%0.61778%0.775SS**  115129122.9-107.1164.7-19.900127.2
948F27.1Very low33.9Very low174 Ų174140.2 Ų140.276%0.76378%0.78SS**  trans83.7113.4144.3-74.3-51.1000129.1
949S32.9Very low34Very low105 Ų105139.9 Ų139.973%0.73478%0.778SS**  72.7133.9124.1-78.80000130.1
950M29.5Very low34.1Very low154 Ų154142.1 Ų142.176%0.75979%0.788SS**  trans77.8110145.2-67.3-62.3-75.200125.4
951E30.2Very low35.2Very low167 Ų167139.1 Ų139.178%0.7878%0.778SS**  trans39.6115130.4-165.5164-144.500124
952E31.9Very low35.6Very low198 Ų198141.8 Ų141.893%0.92578%0.779SS**  176.4155.2106.1-173.1166.6-146.300110.8
953G30.8Very low34.9Very low73 Ų73140.5 Ų140.575%0.75377%0.765SS**  trans122.2148165.900000116.3
954R36.7Very low35.4Very low251 Ų251145 Ų14595%0.94777%0.765SS**  trans-111.5155.4-170.2-69.4-173.2177.1-157.7-0.1115.4
955A31.9Very low35.2Very low100 Ų100142.3 Ų142.383%0.82676%0.759SS**  trans96.3155.9146.300000120.4
956S37.1Very low35Very low111 Ų111138.2 Ų138.278%0.77676%0.757SS**  trans74.763.3169-157.50000119.7
957T33.4Very low34.8Very low128 Ų128143 Ų14379%0.78577%0.768SS**  40.5104.2126.8-46.30000119.6
958V32.6Very low34.5Very low124 Ų124142.3 Ų142.375%0.75277%0.772SS**  trans6689.3150.9-171.50000118
959H34.3Very low34.9Very low176 Ų176143.1 Ų143.182%0.81578%0.778SS**  -97.2177.7118.9-72.532.8000107.2
960V31.7Very low35.5Very low134 Ų134145.6 Ų145.681%0.81278%0.783SS**  cis-152172.424.1-118.40000109.6
961P53Low35.8Very low100 Ų100147.1 Ų147.165%0.64979%0.788SS**  trans-114.6-173.1-173.744-35.1000113.9
962K41.7Very low35.9Very low187 Ų187143.2 Ų143.281%0.81378%0.779SS**  trans63.1157.5154.1-77.6178.61781770117.3
963D38.5Very low36.1Very low100 Ų100140.6 Ų140.654%0.53577%0.771SS.*  cis-155154.6-11.8-128.3-26.8000107.5
964K44.4Very low36.6Very low165 Ų165148 Ų14872%0.71778%0.776SS**  trans27.1132.5152-56.4141.9-170.3147.60120.7
965S34.2Very low36.5Very low111 Ų111141.5 Ų141.578%0.77677%0.765SS**  158.8173.3104.258.90000115.1
966V30.7Very low36.7Very low126 Ų126142.8 Ų142.876%0.76476%0.757SS**  trans72.6102.1160.6-176.70000119.4
967F30.8Very low36.7Very low187 Ų187145 Ų14582%0.8276%0.755SS**  39.7121.8121.4-94.4-119.5000122.5
968V31.1Very low36.4Very low117 Ų117144.2 Ų144.271%0.70975%0.75SS**  62.4118.9119.1176.70000120.4
969E35.8Very low36.3Very low191 Ų191146 Ų14689%0.89375%0.75SS**  -140.5150.8117.3-166147.2-135.200109.6
970L44.3Very low35.9Very low158 Ų158142.2 Ų142.283%0.82774%0.739SS**  trans-125.6103.7-177.4-96.9171.8000109.5
971E36.1Very low35.6Very low186 Ų186144 Ų14487%0.86974%0.739SS**  trans-170.2157.1165.2-99-154.8-177.600109.5
972S32.7Very low34.4Very low84 Ų84144.4 Ų144.459%0.58774%0.744SS**  cis-159.9149.7-26.4-143.60000110.2
973N35.8Very low34.1Very low143 Ų143144.4 Ų144.477%0.76574%0.739SS**  trans2.6117155.5-56.5-87000119.2
974R41.3Very low33.9Very low229 Ų229146.5 Ų146.586%0.86475%0.745SS**  trans-168.5106134.6-107.1168.6173.81171.1112.1
975T35.5Very low33.3Very low114 Ų114148.9 Ų148.970%0.69975%0.75SS**  80.411197.257.10000116.2
976N35.2Very low33.3Very low127 Ų127148.9 Ų148.968%0.67975%0.75SS**  40.8140115.3-78.911000122
977H37Very low33.3Very low158 Ų158152.3 Ų152.373%0.73176%0.758SS**  trans90141.3142.1-65-32.8000120.4
978V28.3Very low33.4Very low112 Ų112146.8 Ų146.868%0.67975%0.753SS**  trans68105146.2164.70000114.6
979Q30.5Very low33.7Very low160 Ų160150.5 Ų150.575%0.74876%0.76SS**  73.2148.468.6-173.6-152.9-19.400111.5
980V24.5Very low33.6Very low97 Ų97149 Ų14959%0.58875%0.753SS**  trans56103.9169.9-80.90000118.4
981Q27Very low33.2Very low173 Ų173149.5 Ų149.581%0.80875%0.748SS**  75.6161.8110.6-158.4176.434.500118.5
982S26.8Very low33.1Very low108 Ų108144.5 Ų144.576%0.75574%0.739SS**  trans71.9131.9174.8720000115.8
983R34.8Very low33Very low186 Ų186148 Ų14870%0.70275%0.751SS**  cis102.895.521178.1-122.8-152.2-126.416.3113.1
984E34.2Very low32.9Very low144 Ų144145.8 Ų145.867%0.67375%0.747SS**  trans-168.1113.1135.3-131.270.3-81.400105
985R32.4Very low32.4Very low216 Ų216143.3 Ų143.382%0.81575%0.75SS**  cis8294.146.6-164-168.6-155.7-1476.7113.3
986S35Very low32.2Very low111 Ų111148.5 Ų148.578%0.77676%0.757SS**  trans-132.3116.215339.90000110.6
987E31.2Very low32Very low198 Ų198150.1 Ų150.193%0.92576%0.76SS**  trans37.4121.2149.2-51.8-171.5108.500121.2
988G31.7Very low31.9Very low70 Ų70152.3 Ų152.372%0.72276%0.762SS**  cis166.1174.7-6.300000115.9
989K37.3Very low32.2Very low196 Ų196153.6 Ų153.685%0.85276%0.758SS**  trans79105.5177.3-57.4172.2-177.3172.60114.7
990E35Very low32.6Very low159 Ų159155.3 Ų155.374%0.74376%0.758SS**  77.9130.473.3-84.3-162.1121.700113
991K35.5Very low32.9Very low168 Ų168158 Ų15873%0.7376%0.764SS**  cis-137.7149.98.3-67-164.9168.1-179.70109.2
992A33Very low33.2Very low82 Ų82153.4 Ų153.468%0.67876%0.763SS**  64.2133.761.300000113.5
993D30.8Very low33.5Very low156 Ų156157.6 Ų157.683%0.83477%0.768SS**  cis-158.5-176.5-0.3-137-46.4000113.8
994S33.9Very low33.3Very low98 Ų98152.2 Ų152.269%0.68576%0.759SS**  trans-96.9152.7-170.7-42.40000114.7
995L30.1Very low33.3Very low177 Ų177150.8 Ų150.893%0.92776%0.76SS**  trans-163.4160.9137.7-138.769.1000115.5
996R32.9Very low33.5Very low223 Ų223148 Ų14884%0.84275%0.754SS**  trans-79.8161.4169.4-49.2162.5173.3-120.82.6111.3
997E30.3Very low33.3Very low160 Ų160146.6 Ų146.675%0.74874%0.736SS**  -154.7-173.5113.5-130.6-150122.900113.6K999E997-K999 IonicContact OE1-NZ 3.9Å; E997-K999 PolarHBondContact OE1-NZ 2.68Å; E997-K999 IonicContact OE2-NZ 3Å
998R35.8Very low33.4Very low204 Ų204140.4 Ų140.477%0.7771%0.709SS**  trans-137.6136.3-163.1160.3-144.6-75.1156.6-10.4108.8
999K33.8Very low33.5Very low139 Ų139141.7 Ų141.760%0.60470%0.699SS**  trans176.1131.7145.6-92.5136.1-161147.40113.1E997E997-K999 IonicContact OE1-NZ 3.9Å; E997-K999 PolarHBondContact OE1-NZ 2.68Å; E997-K999 IonicContact OE2-NZ 3Å
1000R37.7Very low33.6Very low197 Ų197140.7 Ų140.774%0.74370%0.698SS**  52.1170.5125.3-44.4-172.3-161.5163.61.3119.7
1001E31.4Very low33.6Very low154 Ų154136.7 Ų136.772%0.7270%0.699SS**  cis-156.9136.513.2-152.8146.6-129.100113.6
1002G32.8Very low33.5Very low76 Ų76132.1 Ų132.178%0.78469%0.693SS**  trans71.4176.2162.300000117.6
1003K33.3Very low33.6Very low195 Ų195134.1 Ų134.185%0.84869%0.692SS**  cis-172.8149.7-17.5-177.6-171.3173.7-170.30108.5
1004S32Very low33.8Very low74 Ų74131.1 Ų131.152%0.51767%0.673SS.*  cis177.8163.4-37.369.40000108.4
1005T32.9Very low33.9Very low114 Ų114130.5 Ų130.570%0.69966%0.662SS**  trans65.5145153.5540000117.3
1006K36.8Very low34.5Very low158 Ų158131.8 Ų131.869%0.68765%0.654SS**  cis-179.2155.49.1-127.8-179.4168.2-91.10112.9
1007M31.9Very low34.5Very low81 Ų81129.1 Ų129.140%0.39965%0.649SS.*  trans72.9135.5147.8-21.3-144.4-54.400123.4A225 N226A225-M1007 HydrophobicContact CB-CE 4.33Å; N226-M1007 WeakPolarHBondContact ND2-CE 3.47Å; N226-M1007 PolarHBondContact ND2-SD 3.49Å; N226-M1007 VanDerWaalsContact OD1-CB 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CB 3.38Å; N226-M1007 VanDerWaalsContact OD1-CG 3.27Å; N226-M1007 WeakPolarHBondContact OD1-CG 3.37Å; N226-M1007 PolarHBondContact OD1-SD 3.16Å
1008D32.4Very low34.6Very low68 Ų68126.6 Ų126.636%0.36464%0.641SS.*  149.2149.8129.4-67.9-5.1000119.2S224 A225 N226 S227S224-D1008 WeakPolarHBondContact CB-OD2 3.3Å; S224-D1008 PolarHBondContact OG-OD2 3.26Å; A225-D1008 WeakPolarHBondContact CA-OD1 3.44Å; A225-D1008 WeakPolarHBondContact CB-OD1 3.39Å; N226-D1008 PolarHBondContact N-OD1 3.2Å; S227-D1008 WeakPolarHBondContact CA-O 3.41Å; S227-D1008 PolarHBondContact N-O 3.45Å
1009D33.9Very low34.6Very low96 Ų96125.6 Ų125.651%0.51365%0.645SS.*  trans-150.3171.8-140.2-178.134.8000119
1010E40.4Very low34.6Very low176 Ų176126.5 Ų126.582%0.82265%0.651SS**  trans63.7118.3157.8-122.5-179.9-160.600123.6
1011G34.3Very low34.4Very low75 Ų75125.6 Ų125.677%0.77365%0.653SS**  102.3116.7118.500000122.5
1012A34Very low34.6Very low71 Ų71124.6 Ų124.659%0.58765%0.651SS**  trans171.7146.6133.500000114
1013D35.2Very low34.5Very low125 Ų125128.9 Ų128.967%0.66866%0.656SS**  trans-90.5170.6-176.4-83.2-80.1000115E259 D260E259-D1013 WeakPolarHBondContact CA-O 3.27Å; E259-D1013 PolarHBondContact N-O 2.81Å; E259-D1013 VanDerWaalsContact N-O 3.14Å; D260-D1013 WeakPolarHBondContact CA-O 3.32Å; D260-D1013 PolarHBondContact N-O 2.78Å
1014Q35Very low34.6Very low92 Ų92126.6 Ų126.643%0.4365%0.648SS.*  trans-149.5148.5158.4179.150.547.600111.6E259 D260E259-Q1014 PolarHBondContact OE1-NE2 2.67Å; D260-Q1014 VanDerWaalsContact CB-OE1 3.29Å; D260-Q1014 WeakPolarHBondContact OD1-CB 3.4Å; D260-Q1014 WeakPolarHBondContact OD1-CG 3.36Å; D260-Q1014 PolarHBondContact OD1-OE1 2.97Å
1015D35.3Very low35.2Very low86 Ų86127.7 Ų127.746%0.4666%0.656SS.*  trans-100.7162.2179.1-156.94.4000114.3
1016R41.6Very low35.5Very low203 Ų203128.7 Ų128.777%0.76666%0.657SS**  trans-48.5159.6-177.8-54.8146.4-177.1103.42115
1017K33.9Very low35.5Very low168 Ų168123 Ų12373%0.7364%0.637SS**  -172.1145.6103.9-100.4-179154.1-670117.4
1018D33.2Very low35.7Very low107 Ų107124.3 Ų124.357%0.57264%0.642SS**  trans50.5110.2143.8-47.8-14.1000122.5
1019E34.9Very low36.1Very low183 Ų183122.8 Ų122.886%0.85564%0.637SS**  80.5147.9125.8-65.1-177.2175.800124.3
1020E33.5Very low36.1Very low158 Ų158122.2 Ų122.274%0.73863%0.634SS**  trans60102.2157.9-70.8-160128.500125.3
1021F33.6Very low36Very low178 Ų178118.4 Ų118.478%0.78163%0.627SS**  72.8140.7119-89.5-121.9000123.2
1022I35.9Very low36.3Very low132 Ų132123.1 Ų123.168%0.67762%0.621SS**  trans73.3137.6153.3-63.9157.9000118.6E1024I1022-E1024 HydrophobicContact CG2-CG 3.59Å
1023D31Very low36.6Very low166 Ų166128.7 Ų128.789%0.88863%0.627SS**  trans-137.2151.8148.3-17219.5000109.6
1024E35.7Very low36.8Very low147 Ų147129.8 Ų129.869%0.68763%0.633SS**  trans-126.6101.6-163-62.6-166.8145.300115.2I1022I1022-E1024 HydrophobicContact CG2-CG 3.59Å
1025S44.4Very low38.2Very low98 Ų98131.1 Ų131.169%0.68565%0.649SS**  trans53.294.7145.864.90000120.4R146R146-S1025 PolarHBondContact NH1-O 3.04Å
1026D37.6Very low38Very low134 Ų134133.1 Ų133.172%0.71766%0.66SS**  trans-131.6111.9-177.6-137.779.8000117.3R146R146-D1026 IonicContact CZ-OD1 3.83Å; R146-D1026 IonicContact CZ-OD2 2.89Å; R146-D1026 VanDerWaalsContact NH1-CG 3.35Å; R146-D1026 IonicContact NH1-OD1 3.61Å; R146-D1026 PolarHBondContact NH1-OD1 3.2Å; R146-D1026 IonicContact NH1-OD2 3.08Å; R146-D1026 IonicContact NH2-OD1 3.96Å; R146-D1026 PolarHBondContact NH2-OD1 2.71Å; R146-D1026 IonicContact NH2-OD2 3.95Å; R146-D1026 PolarHBondContact NH2-OD2 3.4Å
1027C36.8Very low38.1Very low38 Ų38130.5 Ų130.526%0.25765%0.654SS.*  trans-145.4162.7168.339.10000111.5D142 K145 R146D142-C1027 VanDerWaalsContact O-CB 3.31Å; D142-C1027 WeakPolarHBondContact O-CB 3.4Å; K145-C1027 HydrophobicContact CB-CB 4.01Å; R146-C1027 HydrophobicContact CB-CB 4.38Å; R146-C1027 WeakPolarHBondContact CB-O 3.25Å; R146-C1027 WeakPolarHBondContact CB-SG 3.39Å; R146-C1027 PolarHBondContact NE-O 2.7Å; R146-C1027 PolarHBondContact NH2-O 2.97Å
1028E36.3Very low38.7Very low109 Ų109130.1 Ų130.151%0.50966%0.657SS.*  trans-144.786.6177.9-162.4133.1-174.100119.2G143 R146 K147G143-E1028 CarbonylContact O-C 2.89Å; G143-E1028 VanDerWaalsContact O-CA 3.28Å; G143-E1028 WeakPolarHBondContact O-CA 3.27Å; G143-E1028 PolarHBondContact O-N 2.66Å; R146-E1028 CarbonylContact O-C 3.59Å; R146-E1028 WeakPolarHBondContact O-CA 3.28Å; K147-E1028 HydrophobicContact CB-CG 4.24Å; K147-E1028 WeakPolarHBondContact CB-OE1 3.35Å; K147-E1028 WeakPolarHBondContact CD-OE2 3.27Å; K147-E1028 VanDerWaalsContact CE-OE2 3.28Å; K147-E1028 WeakPolarHBondContact CE-OE2 3.35Å; K147-E1028 IonicContact NZ-OE2 3.67Å; K147-E1028 PolarHBondContact NZ-OE2 3.36Å
1029S41Very low39.1Very low37 Ų37133.5 Ų133.526%0.25967%0.669SS.*  trans43.3142.6148.2-108.90000128.8G143 H144 R146 K147G143-S1029 PolarHBondContact O-N 3.27Å; H144-S1029 WeakPolarHBondContact O-CA 3.37Å; R146-S1029 WeakPolarHBondContact O-CA 3.22Å; R146-S1029 WeakPolarHBondContact O-CB 2.97Å; R146-S1029 PolarHBondContact O-N 2.91Å; R146-S1029 PolarHBondContact O-OG 2.84Å; R146-S1029 VanDerWaalsContact O-OG 3.07Å; K147-S1029 WeakPolarHBondContact O-CB 3.45Å; K147-S1029 PolarHBondContact O-OG 3.18Å; K147-S1029 VanDerWaalsContact O-OG 3.12Å
1030D34.4Very low39.2Very low83 Ų83127 Ų12744%0.44465%0.651SS.*  trans65.4116.7135.5-157.318.4000120H144 R1032H144-D1030 PolarHBondContact O-N 3Å; D1030-R1032 WeakPolarHBondContact OD1-CG 3.44Å; D1030-R1032 IonicContact OD2-CZ 3.85Å; D1030-R1032 IonicContact OD2-NE 3.88Å; D1030-R1032 PolarHBondContact OD2-NE 3.19Å; D1030-R1032 VanDerWaalsContact OD2-NE 3.08Å; D1030-R1032 IonicContact OD2-NH2 3.46Å
1031S37.4Very low39.2Very low97 Ų97128.2 Ų128.268%0.67865%0.654SS**  trans-129.9138.4159630000109.1
1032R40.8Very low39.9Very low173 Ų173125.7 Ų125.765%0.65366%0.656SS**  trans-115115.8-166.4-78.6-172.1172.6-115.97.1116.2D1030D1030-R1032 WeakPolarHBondContact OD1-CG 3.44Å; D1030-R1032 IonicContact OD2-CZ 3.85Å; D1030-R1032 IonicContact OD2-NE 3.88Å; D1030-R1032 PolarHBondContact OD2-NE 3.19Å; D1030-R1032 VanDerWaalsContact OD2-NE 3.08Å; D1030-R1032 IonicContact OD2-NH2 3.46Å
1033R41.7Very low39.8Very low189 Ų189123.9 Ų123.971%0.71366%0.66SS**  trans78.4105.2133-70.1-169.3-62.4-176.6-0.4121.6
1034D39.5Very low39.9Very low148 Ų148124.3 Ų124.379%0.79166%0.662SS**  80.7156.6102.1-69.1-14.5000124.5
1035P63.6Low39.8Very low119 Ų119122.4 Ų122.477%0.77367%0.665SS**  trans-126.1-154.1-166.544.1-24.8000114
1036D32.1Very low39.1Very low128 Ų128126 Ų12668%0.68468%0.676SS**  trans-166.3166.3177.9-129.2-8.2000110.5
1037K42.3Very low38.6Very low149 Ų149125.5 Ų125.565%0.64868%0.683SS**  cis-163.7118.5-3.4-160.9166.6-142.872.50114.1
1038M47Very low38.4Very low159 Ų159135.1 Ų135.178%0.78371%0.714SS**  trans60.1178.3156.4-62-70.5163.900116.7
1039Q40.9Very low38.4Very low178 Ų178139.1 Ų139.183%0.83273%0.732SS**  cis-150.6-166.3-16.7-126.4169.963.600108.5
1040G37.3Very low38.7Very low46 Ų46145.5 Ų145.547%0.47476%0.762SS.*  cis-177.6-160.510.700000113.6
1041F33.9Very low38.6Very low184 Ų184148.2 Ų148.281%0.80778%0.776SS**  trans-153.7171.2-166.6-73.1-69.9000111.1
1042P48.6Very low39.2Very low126 Ų126149.9 Ų149.982%0.81878%0.784SS**  cis-126.2-142.329.831.1-4.3000113
1043A32.9Very low38.9Very low93 Ų93144.4 Ų144.477%0.76978%0.782SS**  cis-151.1-135.79.500000114.3
1044L34.5Very low38.6Very low175 Ų175143.6 Ų143.692%0.91679%0.791SS**  trans-127.8149-162.3-69.8171.6000114.8
1045S33Very low38.4Very low108 Ų108143 Ų14376%0.75579%0.793SS**  trans-88.7176.9178.7-43.50000112.3
1046L29.1Very low37.3Very low173 Ų173145 Ų14591%0.90680%0.795SS**  -131.9-16169.6-77.5176.3000111
1047S26.6Very low37.5Very low124 Ų124143.2 Ų143.287%0.86779%0.793SS**  cis-149-145.816.455.40000114.9
1048R32.8Very low37.4Very low240 Ų240141.7 Ų141.791%0.90680%0.798SS**  trans-131.9108.2-164.7174.1-172.2-176.1165.21.3111.7
1049E36.6Very low37.2Very low192 Ų192140.2 Ų140.290%0.89780%0.802SS**  trans-148.1163.2158-163.9139.8-131.100108.4
1050I47Very low37.7Very low171 Ų171139 Ų13988%0.87780%0.8SS**  trans-122.2112.3-177.6-61.2175.9000108.5
1051D34.1Very low38.1Very low141 Ų141141 Ų14175%0.75481%0.812SS**  trans-134.7141.6-177.7-164.554.2000110.4G1053D1051-G1053 PolarHBondContact O-N 3.39Å; D1051-G1053 VanDerWaalsContact O-N 3.11Å
1052P49.6Very low39.3Very low131 Ų131136.3 Ų136.385%0.85180%0.795SS**SBendtrans-91.370.6-165.736.4-33.5000112.5
1053G34.4Very low39.9Very low58 Ų58134.1 Ų134.160%0.59878%0.779SS**  trans-146.990-178.800000114.6D1051D1051-G1053 PolarHBondContact O-N 3.39Å; D1051-G1053 VanDerWaalsContact O-N 3.11Å
1054L34.8Very low40.7Very low172 Ų172134.2 Ų134.290%0.90178%0.775SS**  trans-115.385.4165-74179.7000110.7I1056L1054-I1056 PolarHBondContact O-N 3.37Å
1055T35Very low41.5Very low137 Ų137131.2 Ų131.284%0.8476%0.756SS**  trans-59.9123.3157.246.50000109S1057T1055-S1057 PolarHBondContact O-N 3.1Å
1056I39.9Very low42.5Very low160 Ų160130 Ų13082%0.82174%0.738SS**  trans-71.4103.1178.9-57.7174.6000108.8L1054L1054-I1056 PolarHBondContact O-N 3.37Å
1057S37Very low44.2Very low91 Ų91129.6 Ų129.664%0.63673%0.725SS**  trans-66.1137.4165.955.40000109.8T1055 C1059T1055-S1057 PolarHBondContact O-N 3.1Å; S1057-C1059 PolarHBondContact O-N 3.05Å
1058P41.4Very low45.3Very low117 Ų117127.4 Ų127.476%0.7671%0.706SS**  trans-60.9136-178.625.5-34.3000111.6I1060P1058-I1060 PolarHBondContact O-N 2.81Å
1059C42Very low46.1Very low127 Ų127120.4 Ų120.486%0.85868%0.682SS**  trans-68.8103.3-174-61.70000112.2S1057S1057-C1059 PolarHBondContact O-N 3.05Å
1060I51.4Low47.3Very low152 Ų152115.4 Ų115.478%0.77967%0.665SS**  trans-75.5133.6165.8-58.8177.5000108.6P1058 L1062P1058-I1060 PolarHBondContact O-N 2.81Å; I1060-L1062 PolarHBondContact O-N 3.16Å; I1060-L1062 VanDerWaalsContact O-N 3.08Å
1061A44.5Very low47.4Very low90 Ų90110.9 Ų110.974%0.74465%0.648SS**  trans-73.899.6-174.800000112.1
1062L59.3Low48.1Very low85 Ų85109 Ų10945%0.44564%0.638SS.*  trans-64.5139.2176.1-60.3-178.5000112.2I1060 E1066 R1067I1060-L1062 PolarHBondContact O-N 3.16Å; I1060-L1062 VanDerWaalsContact O-N 3.08Å; L1062-E1066 HydrophobicContact CB-CB 4.22Å; L1062-R1067 VanDerWaalsContact O-CZ 3.3Å; L1062-R1067 PolarHBondContact O-NE 2.92Å; L1062-R1067 PolarHBondContact O-NH2 3.49Å
1063T61.8Low48Very low79 Ų79112.4 Ų112.449%0.48563%0.634SS.*  trans-70.5170.4178.864.60000112.6E1065 E1066 R1067T1063-E1065 VanDerWaalsContact C-N 3.34Å; T1063-E1065 PolarHBondContact O-N 3Å; T1063-E1066 WeakPolarHBondContact CB-OE2 3.27Å; T1063-E1066 PolarHBondContact N-OE2 3.22Å; T1063-E1066 PolarHBondContact O-N 3.35Å; T1063-E1066 WeakPolarHBondContact OG1-CG 3.49Å; T1063-E1066 PolarHBondContact OG1-OE2 2.95Å; T1063-R1067 WeakPolarHBondContact O-CG 3.37Å; T1063-R1067 PolarHBondContact O-N 2.88Å
1064S49.8Very low48.7Very low96 Ų96117.4 Ų117.467%0.67164%0.639SS**Hα-helixtrans-61.7-37.3-178.546.80000113.4T1068S1064-T1068 PolarHBondContact O-N 3.43Å; S1064-T1068 PolarHBondContact O-OG1 2.84Å
1065E52.2Low49.4Very low112 Ų112114.2 Ų114.252%0.52362%0.623SS.*Hα-helixtrans-72.9-32.8-178.7-152.7-163.9161.700112.8T1063 T1068 K1069T1063-E1065 VanDerWaalsContact C-N 3.34Å; T1063-E1065 PolarHBondContact O-N 3Å; E1065-T1068 WeakPolarHBondContact CA-OG1 3.15Å; E1065-T1068 PolarHBondContact O-N 2.85Å; E1065-T1068 PolarHBondContact O-OG1 3.21Å; E1065-K1069 WeakPolarHBondContact O-CB 3.19Å; E1065-K1069 WeakPolarHBondContact O-CG 3.34Å; E1065-K1069 PolarHBondContact O-N 3.46Å; E1065-K1069 WeakPolarHBondContact OE1-CE 2.96Å; E1065-K1069 IonicContact OE1-NZ 2.6Å; E1065-K1069 PolarHBondContact OE1-NZ 3.46Å; E1065-K1069 IonicContact OE2-NZ 3.1Å
1066E53.6Low50Low83 Ų83113.4 Ų113.439%0.38861%0.613SS.*Hα-helixtrans-68.2-41.3176.8-67.5169.7107.700110.9L1062 T1063 K1069 V1070L1062-E1066 HydrophobicContact CB-CB 4.22Å; T1063-E1066 WeakPolarHBondContact CB-OE2 3.27Å; T1063-E1066 PolarHBondContact N-OE2 3.22Å; T1063-E1066 PolarHBondContact O-N 3.35Å; T1063-E1066 WeakPolarHBondContact OG1-CG 3.49Å; T1063-E1066 PolarHBondContact OG1-OE2 2.95Å; E1066-K1069 PolarHBondContact O-N 3.39Å; E1066-V1070 WeakPolarHBondContact O-CG2 3.08Å; E1066-V1070 PolarHBondContact O-N 3.04Å
1067R63.7Low50.1Low163 Ų163111 Ų11162%0.61561%0.605SS**Hα-helixtrans-62.2-43175.5-62.7175.6-153.8-170.46.4111.7L1062 T1063 V1070 S1071L1062-R1067 VanDerWaalsContact O-CZ 3.3Å; L1062-R1067 PolarHBondContact O-NE 2.92Å; L1062-R1067 PolarHBondContact O-NH2 3.49Å; T1063-R1067 WeakPolarHBondContact O-CG 3.37Å; T1063-R1067 PolarHBondContact O-N 2.88Å; R1067-V1070 PolarHBondContact O-N 3.45Å; R1067-S1071 WeakPolarHBondContact O-CB 3.27Å; R1067-S1071 PolarHBondContact O-N 2.88Å
1068T51.1Low50.5Low78 Ų78116.7 Ų116.748%0.47961%0.613SS.*Hα-helixtrans-70.7-36178.650.60000112.6S1064 E1065 S1071 N1072S1064-T1068 PolarHBondContact O-N 3.43Å; S1064-T1068 PolarHBondContact O-OG1 2.84Å; E1065-T1068 WeakPolarHBondContact CA-OG1 3.15Å; E1065-T1068 PolarHBondContact O-N 2.85Å; E1065-T1068 PolarHBondContact O-OG1 3.21Å; T1068-S1071 PolarHBondContact O-N 3.34Å; T1068-N1072 PolarHBondContact O-N 3.17Å; T1068-N1072 PolarHBondContact O-ND2 3.2Å
1069K48.7Very low50.6Low94 Ų94118.8 Ų118.841%0.40961%0.61SS.*Hα-helixtrans-64.7-41.3172.1-76171.1-176.51630112.6E1065 E1066 R1073E1065-K1069 WeakPolarHBondContact O-CB 3.19Å; E1065-K1069 WeakPolarHBondContact O-CG 3.34Å; E1065-K1069 PolarHBondContact O-N 3.46Å; E1065-K1069 WeakPolarHBondContact OE1-CE 2.96Å; E1065-K1069 IonicContact OE1-NZ 2.6Å; E1065-K1069 PolarHBondContact OE1-NZ 3.46Å; E1065-K1069 IonicContact OE2-NZ 3.1Å; E1066-K1069 PolarHBondContact O-N 3.39Å; K1069-R1073 PolarHBondContact O-N 3.32Å
1070V61.7Low50.6Low87 Ų87118 Ų11853%0.52761%0.605SS.*Hα-helixtrans-65.7-41.4175170.80000111.7E1066 R1067 R1073 K1074E1066-V1070 WeakPolarHBondContact O-CG2 3.08Å; E1066-V1070 PolarHBondContact O-N 3.04Å; R1067-V1070 PolarHBondContact O-N 3.45Å; V1070-R1073 PolarHBondContact O-N 3.07Å; V1070-K1074 PolarHBondContact O-N 2.98Å
1071S49.3Very low50.3Low76 Ų76119 Ų11953%0.53161%0.608SS.*Hα-helixtrans-63-46.8178.5-163.80000112.2R1067 T1068 R1073 K1074 L1075R1067-S1071 WeakPolarHBondContact O-CB 3.27Å; R1067-S1071 PolarHBondContact O-N 2.88Å; T1068-S1071 PolarHBondContact O-N 3.34Å; S1071-R1073 VanDerWaalsContact C-N 3.32Å; S1071-R1073 PolarHBondContact O-N 3.41Å; S1071-K1074 PolarHBondContact O-N 3.25Å; S1071-K1074 VanDerWaalsContact O-N 3.12Å; S1071-L1075 PolarHBondContact O-N 2.66Å; S1071-L1075 VanDerWaalsContact O-N 3.07Å
1072N48.3Very low50.2Low100 Ų100122.9 Ų122.954%0.53561%0.608SS.*Hα-helixtrans-61.9-35.9178-81.8-69.1000113.2T1068 L1075 L1076T1068-N1072 PolarHBondContact O-N 3.17Å; T1068-N1072 PolarHBondContact O-ND2 3.2Å; N1072-L1075 WeakPolarHBondContact O-CB 3.38Å; N1072-L1075 PolarHBondContact O-N 3.36Å; N1072-L1076 PolarHBondContact O-N 2.9Å; N1072-L1076 VanDerWaalsContact O-N 3.16Å
1073R48.7Very low48.9Very low204 Ų204121.7 Ų121.777%0.7762%0.616SS**Hα-helixtrans-63.3-40.1173.4-76.7-177.6173.8179.6-1.4112.5K1069 V1070 S1071 L1075K1069-R1073 PolarHBondContact O-N 3.32Å; V1070-R1073 PolarHBondContact O-N 3.07Å; S1071-R1073 VanDerWaalsContact C-N 3.32Å; S1071-R1073 PolarHBondContact O-N 3.41Å; R1073-L1075 VanDerWaalsContact C-N 3.3Å; R1073-L1075 PolarHBondContact O-N 2.84Å
1074K48.6Very low47.7Very low163 Ų163125.9 Ų125.971%0.70964%0.635SS**Hα-helixtrans-65.6-32.2173.1-82.7-175.9174.2177.90112.6V1070 S1071V1070-K1074 PolarHBondContact O-N 2.98Å; S1071-K1074 PolarHBondContact O-N 3.25Å; S1071-K1074 VanDerWaalsContact O-N 3.12Å
1075L49.4Very low46.7Very low105 Ų105127.3 Ų127.355%0.5564%0.644SS.*Hα-helixtrans-69.8-40179.9-150.475000112.6S1071 N1072 R1073 R1078 K1079S1071-L1075 PolarHBondContact O-N 2.66Å; S1071-L1075 VanDerWaalsContact O-N 3.07Å; N1072-L1075 WeakPolarHBondContact O-CB 3.38Å; N1072-L1075 PolarHBondContact O-N 3.36Å; R1073-L1075 VanDerWaalsContact C-N 3.3Å; R1073-L1075 PolarHBondContact O-N 2.84Å; L1075-R1078 PolarHBondContact O-N 3.47Å; L1075-K1079 PolarHBondContact O-N 2.8Å
1076L47Very low46.1Very low120 Ų120128.1 Ų128.163%0.62866%0.659SS**Hα-helixtrans-66.7-42179.7-121.976.1000113N1072 R1078 K1079 C1080N1072-L1076 PolarHBondContact O-N 2.9Å; N1072-L1076 VanDerWaalsContact O-N 3.16Å; L1076-R1078 PolarHBondContact O-N 3.14Å; L1076-K1079 PolarHBondContact O-N 2.75Å; L1076-C1080 PolarHBondContact O-N 3.22Å
1077V42.3Very low45.5Very low109 Ų109131.6 Ų131.666%0.66168%0.679SS**Hα-helixtrans-59.1-32.7177.31760000111.5
1078R45.2Very low43.9Very low211 Ų211130.8 Ų130.880%0.79669%0.692SS**Hα-helixtrans-70.7-31.1173.2-106.2179.5173.6168.7-2.4113.8L1075 L1076L1075-R1078 PolarHBondContact O-N 3.47Å; L1076-R1078 PolarHBondContact O-N 3.14Å
1079K43.9Very low42.8Very low161 Ų161132.7 Ų132.770%0.771%0.708SS**Hα-helixtrans-71.6-37.5177.7-83.3-169.8171.8-175.90112.8L1075 L1076 M1081 K1082L1075-K1079 PolarHBondContact O-N 2.8Å; L1076-K1079 PolarHBondContact O-N 2.75Å; K1079-M1081 PolarHBondContact O-N 3.14Å; K1079-M1081 VanDerWaalsContact O-N 3.1Å; K1079-K1082 PolarHBondContact O-N 2.82Å; K1079-K1082 VanDerWaalsContact O-N 3.1Å
1080C42.3Very low42Very low111 Ų111134.1 Ų134.175%0.7573%0.73SS**THydrogen-bonded Turntrans-66.5-10.6-179.4-66.50000114.9L1076L1076-C1080 PolarHBondContact O-N 3.22Å
1081M45.3Very low40.7Very low172 Ų172135.8 Ų135.885%0.84775%0.745SS**THydrogen-bonded Turntrans-95-2.8174.2-65.3-122.769.200114.2K1079K1079-M1081 PolarHBondContact O-N 3.14Å; K1079-M1081 VanDerWaalsContact O-N 3.1Å
1082K42.8Very low39.8Very low172 Ų172136.5 Ų136.575%0.74876%0.756SS**SBendtrans-111.239.6179.7-154.8-179.1-179.4-176.20112.3E608 K1079E608-K1082 IonicContact OE2-NZ 3.8Å; K1079-K1082 PolarHBondContact O-N 2.82Å; K1079-K1082 VanDerWaalsContact O-N 3.1Å
1083G32Very low39Very low59 Ų59140.8 Ų140.861%0.60877%0.772SS**  trans-125.5111.4176.600000112.3
1084N35.9Very low38.4Very low168 Ų168138 Ų13890%0.89878%0.778SS**PPolyproline II helixtrans-80.2120.7177.3-72.1-14.8000110.7
1085C29Very low37.6Very low126 Ų126135.2 Ų135.285%0.85179%0.786SS**PPolyproline II helixtrans-86.3130.6169.8-66.30000110.5
1086P38.7Very low37.2Very low128 Ų128135.1 Ų135.183%0.83180%0.799SS**PPolyproline II helixtrans-76.6151177.230.5-33.9000113
1087L41.4Very low36.6Very low156 Ų156137.5 Ų137.582%0.81781%0.812SS**  trans-43141.9-178.3-64.7155.2000116.3
1088T30.1Very low36.3Very low146 Ų146140.4 Ų140.490%0.89682%0.818SS**  trans-129.4129136.443.50000109.4
1089C29.1Very low35.7Very low118 Ų118139.7 Ų139.780%0.79782%0.824SS**  trans-104.7136.6172.6-71.50000109.6
1090S30.3Very low35.3Very low125 Ų125137.3 Ų137.387%0.87482%0.823SS**  trans-132.9139.9153.461.80000108.4
1091S34.9Very low35.3Very low121 Ų121141.8 Ų141.885%0.84683%0.829SS**  trans-101.2136.6-171.251.90000111.7
1092A31Very low34.9Very low92 Ų92144.5 Ų144.576%0.7683%0.83SS**  trans-144.798.4169.300000111.5
1093H31.3Very low34.9Very low189 Ų189146 Ų14688%0.87584%0.836SS**  trans50.2126.6153-66.7-82000121.9
1094T35.2Very low35.1Very low147 Ų147151.3 Ų151.390%0.90285%0.85SS**  trans-70.1136164.1390000112.3
1095A33.5Very low34.9Very low104 Ų104149.1 Ų149.186%0.8685%0.847SS**  trans-139.8118.3160.600000108.9
1096A39.3Very low35.1Very low102 Ų102152.7 Ų152.784%0.84385%0.848SS**  trans-95.7133.8-178.300000111.2
1097L35.9Very low34.8Very low171 Ų171153 Ų15390%0.89585%0.847SS**  trans-139.7158.5165.3-100.6173000111.4
1098Q34.9Very low35Very low169 Ų169150.8 Ų150.879%0.7984%0.842SS**  trans-95.6147.6-150.6-63170.4-14.200114.6V1100Q1098-V1100 PolarHBondContact O-N 3.42Å
1099H33.5Very low35.1Very low197 Ų197148.8 Ų148.891%0.91284%0.841SS**  trans-66.6118.9165.1-73.8-71.8000111.4
1100V34.3Very low35.4Very low111 Ų111152.5 Ų152.567%0.67384%0.843SS**  trans-111.8111.4167.7179.70000110Q1098Q1098-V1100 PolarHBondContact O-N 3.42Å
1101K42.4Very low35.7Very low205 Ų205156.7 Ų156.789%0.89185%0.846SS**  trans-77.4127.4173.8-64.3172.1-178.8170.70110.2
1102R37.8Very low35.6Very low229 Ų229154.7 Ų154.786%0.86484%0.844SS**  trans-135.9116.1156.2-72.3-168.1170.2121.91.7110.7
1103K43.6Very low36Very low202 Ų202161.8 Ų161.888%0.87885%0.851SS**  trans-81.6147.1161.3-65.6-176.9176.7-174.70108.1
1104L34.4Very low36.3Very low172 Ų172161.5 Ų161.590%0.90185%0.85SS**  trans-133.7144.7159.2-90.9169.1000109.7
1105C31.8Very low36.6Very low122 Ų122162.6 Ų162.682%0.82485%0.85SS**  trans-104.7156.9-178-63.10000110.6
1106F34.5Very low36.6Very low201 Ų201161.2 Ų161.288%0.88285%0.845SS**  trans-84.6173.5173.2-92.1-92.2000112.7
1107V32.9Very low36.7Very low134 Ų134164 Ų16481%0.81285%0.845SS**  trans79.5144.8164.1-171.20000114.7
1108P44.7Very low37.1Very low110 Ų110162.2 Ų162.271%0.71484%0.841SS**  cis-124.5166.9-10.230-11.8000115.7
1109A32.1Very low37.6Very low104 Ų104161.5 Ų161.586%0.8688%0.879SS**  trans-142.6155.2145.800000109.9
1110K34.8Very low37.8Very low196 Ų196159.7 Ų159.785%0.85288%0.878SS**  trans-128.6145.2-173-70177.7-179.8171.80112.8
1111K37.2Very low38Very low212 Ų212162.3 Ų162.392%0.92289%0.889SS**  trans21.5116.6150.7-66.4-178174.2178.40118.6
1112G32.8Very low37.8Very low79 Ų79159.9 Ų159.981%0.81489%0.888SS**  trans-117.7156.1146.800000110.6
1113R39Very low37.8Very low241 Ų241155.8 Ų155.891%0.90989%0.89SS**  trans-133.4133.2175.1-76.4-176.4176.1-179.4-1.7110.6
1114Q37.4Very low37.4Very low184 Ų184152.9 Ų152.986%0.8689%0.891SS**  trans-163.1131.6147.9-104.3151.1-15.200105.6
1115L41.3Very low37.6Very low170 Ų170151.7 Ų151.789%0.8989%0.89SS**  64.310851.3-67.1172.4000112.5
1116G34.7Very low38Very low74 Ų74153.8 Ų153.876%0.76390%0.895SS**  trans16976.8176.700000115.5
1117L41.5Very low38.3Very low160 Ų160150.2 Ų150.284%0.83890%0.896SS**  trans29.7119.6141.2-69.4162000121.3
1118T43.2Very low38.7Very low134 Ų134151.5 Ų151.582%0.82290%0.903SS**  trans36.3119.313358.10000120.8
1119G46.3Very low38.2Very low154 Ų154155.3 Ų155.3100%1.58892%0.92SS**  trans-141.10148.500000108.4

Retrieved 1,119 of 1,119 residues in 858.4 ms (Link to these results)