A0A2K6BLS9_MACNE Loading...

Family with sequence similarity 193 member B

AlphaFold DB , UniProt , Accession A0A2K6BLS9, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene FAM193B, Length 822 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39.6Very low39.8Very low220 Ų220153.8 Ų153.8100%1.08482%0.822SS**  01160-61.968.3171.600106.8
2T37Very low39.4Very low126 Ų126150.3 Ų150.377%0.77383%0.83SS**  61.8127.567.659.30000114.1
3R38.8Very low38.9Very low206 Ų206144.6 Ų144.678%0.77783%0.827SS**  cis-172.1129.2-11.4-143.4-172.8-172.2-158.97111
4R43.1Very low39Very low184 Ų184147.7 Ų147.769%0.69482%0.819SS**  trans61.6174.9152.1-71.3173.5-174.9-126.81116.4
5R41.9Very low39Very low210 Ų210150.7 Ų150.779%0.79281%0.813SS**  cis-149.7170.43.4-141.4176.7-142.4-83.811.7110.9
6S45.3Very low38.7Very low114 Ų114151.3 Ų151.380%0.79781%0.808SS**  trans-101.2169.3-176-35.30000115
7R40.7Very low38.7Very low235 Ų235155.9 Ų155.989%0.88781%0.812SS**  trans6.7142.5158.6-71.5-173.4174.2-160.2-0.8120.4
8P52.3Low38.5Very low122 Ų122152.1 Ų152.179%0.79281%0.807SS**  -117.2172.899.1-4.424.9000112.5
9S36.4Very low38.5Very low118 Ų118156.7 Ų156.783%0.82581%0.812SS**  cis94.61112.2-163.50000119.4
10G32.3Very low38.6Very low79 Ų79154.1 Ų154.181%0.81481%0.814SS**  trans106.1149.5145.100000119.2
11G30.1Very low38.3Very low78 Ų78151.7 Ų151.780%0.80482%0.816SS**  trans95.5102.6172.500000114.4
12A35.7Very low38.1Very low111 Ų111144.9 Ų144.992%0.91780%0.803SS**  cis93.4109.515.500000116.7
13G33.2Very low39Very low77 Ų77144.8 Ų144.879%0.79481%0.805SS**  trans141.8155.5159.600000114.4
14R39.7Very low38.9Very low188 Ų188144.6 Ų144.671%0.70981%0.813SS**  cis-173.5109.1-27.3175.6-177-173.4-88.19.3108.1
15R39.5Very low38.6Very low193 Ų193145 Ų14573%0.72882%0.819SS**  trans66.7173.5166-57.7-178.7-175.8-147.7-5.4113.5
16E33.4Very low38.9Very low159 Ų159139.6 Ų139.674%0.74381%0.812SS**  cis-139.6-160.213.4-155.4133.6100.400114.9
17R39.4Very low38.3Very low230 Ų230143.3 Ų143.387%0.86882%0.816SS**  trans-129137.2-157.3167.6-146.4-64.6-109.12.2109.2
18A34.3Very low38.3Very low87 Ų87136.6 Ų136.672%0.71981%0.811SS**  trans169.7139.6133.800000116.9
19R38.8Very low38Very low240 Ų240136.1 Ų136.191%0.90681%0.808SS**  trans44.3105.7134.2-61.8-180178.8-92.91.6121.9
20A39.8Very low37.8Very low104 Ų104139.1 Ų139.186%0.8681%0.809SS**  -13.1151.9129.400000121.2
21A33Very low38.5Very low104 Ų104140.8 Ų140.886%0.8681%0.806SS**  trans-165.6150.9140.800000113
22G35.6Very low39.4Very low78 Ų78143 Ų14380%0.80481%0.805SS**  trans89118.7145.700000121.1
23P56.3Low40.2Very low124 Ų124143.4 Ų143.481%0.80580%0.799SS**  trans-112.2158.3167.639.2-30.8000114.1
24Q35Very low40.8Very low202 Ų202145.3 Ų145.394%0.94480%0.797SS**  trans-151.2163.3158.5-78.6-151.4-2.600114.1
25K37.5Very low41.2Very low191 Ų191142.5 Ų142.583%0.8380%0.804SS**  trans-140.9169.2175.7-140.3-161.5167.8-175.30105
26P48.4Very low40.9Very low98 Ų98139.2 Ų139.264%0.63681%0.81SS**  cis-147.4-14810.745.6-22.9000115.8
27Q32.3Very low41.3Very low191 Ų191139.9 Ų139.989%0.89382%0.818SS**  trans91.8155.3159.3-96.3175.4-28.100121
28A41.1Very low41.3Very low95 Ų95137.7 Ų137.779%0.78582%0.818SS**  trans-160.6142.7-172.600000113.3
29P44.9Very low41.5Very low111 Ų111138.1 Ų138.172%0.72182%0.821SS**  trans-132.7-177.7163.741.5-27.8000113
30E33.4Very low41.2Very low181 Ų181130.1 Ų130.185%0.84681%0.813SS**  cis-163.4164.6-33.1-99.8168.397.900109.2
31P47.1Very low40.9Very low115 Ų115130.7 Ų130.775%0.74782%0.818SS**PPolyproline II helixtrans-96.1169.1-173.437.4-35.4000116.5
32P49Very low40.8Very low123 Ų123129.8 Ų129.880%0.79982%0.818SS**PPolyproline II helixtrans-91.3167.1-168.536-37.7000117.4
33P51.7Low40.7Very low120 Ų120131.1 Ų131.178%0.77982%0.822SS**PPolyproline II helixtrans-97.5168.6-167.538.5-38.1000117.3
34P46.7Very low39.4Very low117 Ų117128.4 Ų128.476%0.7682%0.816SS**PPolyproline II helixtrans-95.2169.7-179.538.6-37.1000115.5
35P48.4Very low40.3Very low130 Ų130124.8 Ų124.884%0.84481%0.81SS**PPolyproline II helixtrans-91.2162.6179.936.6-36.2000115.2
36S33.1Very low41Very low124 Ų124120.9 Ų120.987%0.86780%0.804SS**  trans-105.9164.3-174.2-56.40000115.2
37L40.8Very low40.1Very low172 Ų172125.3 Ų125.390%0.90182%0.817SS**  trans-105.9157.3171.6-61.1169.1000111.1
38E40.2Very low40.1Very low185 Ų185120.6 Ų120.686%0.86481%0.81SS**  trans-162.6165.9155.8-111-71.243.600110.9
39A37.9Very low40.7Very low96 Ų96122.2 Ų122.279%0.79381%0.813SS**  trans-140.3171.3-166.200000116.2
40G31.7Very low40Very low72 Ų72121.7 Ų121.774%0.74282%0.818SS**  trans143.6115.717400000111
41A34.9Very low40Very low116 Ų116121.7 Ų121.796%0.95982%0.818SS**  cis93.5116.94300000113.2
42G30.9Very low40.1Very low84 Ų84121.2 Ų121.287%0.86682%0.815SS**  trans169.3137.2177.900000112.9
43A33Very low39.2Very low107 Ų107121.2 Ų121.288%0.88481%0.808SS**  trans-87.9161.9-168.700000115.3
44G29.3Very low38.5Very low66 Ų66125.7 Ų125.768%0.6881%0.809SS**  trans-109-152.9148.400000109.3
45P52.9Low37.7Very low126 Ų126126.5 Ų126.582%0.81881%0.808SS**  cis-117.8-136.4-11.435.8-13.5000107.7
46P53.5Low36.8Very low109 Ų109123.6 Ų123.671%0.70880%0.801SS**  cis-135.6-157.5-15.931.8-6.3000114.5
47E29.4Very low36.8Very low191 Ų191122 Ų12289%0.89379%0.79SS**  trans98.3154.3159.2-56-145.67100119.2
48A32.6Very low36.5Very low92 Ų92123.9 Ų123.976%0.7679%0.785SS**  trans-142.1-132.8-165.500000111.7
49P53.5Low36.1Very low129 Ų129121.9 Ų121.984%0.83878%0.776SS**  -115.5153.8-103.836-23.3000115.2
50A30Very low36Very low100 Ų100125 Ų12583%0.82678%0.779SS**  trans-157.5141.616400000113.3
51E32.3Very low36Very low182 Ų182128.6 Ų128.685%0.8578%0.781SS**  trans-100.8-160154.5-57.3-149130.100107.7
52P50.5Low36Very low104 Ų104129.8 Ų129.868%0.67577%0.767SS**  cis-140.2-164.5-6.641.2-19.9000115.3
53D29.4Very low36.5Very low124 Ų124130.9 Ų130.966%0.66376%0.759SS**  trans67.8127.2153.2-88.9-151.2000121.1
54R37.6Very low36.6Very low213 Ų213132.1 Ų132.180%0.80475%0.751SS**  79.7149.772.5-68.7-177.7-164.3-119.1-4.9112.8
55D29.9Very low36.8Very low135 Ų135136.8 Ų136.872%0.72276%0.759SS**  cis-152.3177.432.4-170.6-102.5000112.4S57D55-S57 PolarHBondContact OD1-OG 2.86Å
56G29Very low35.8Very low69 Ų69136.7 Ų136.771%0.71176%0.756SS**  trans124117.6155.100000116.4
57S34.3Very low35.1Very low90 Ų90137.4 Ų137.463%0.62976%0.76SS**  cis151.4136.5-29.3-78.20000108.4D55D55-S57 PolarHBondContact OD1-OG 2.86Å
58R32.7Very low35.3Very low211 Ų211130.9 Ų130.980%0.79675%0.745SS**  trans87.3139.9178.6-59.1177.868.4176-4.4116.8
59E32.2Very low35.6Very low143 Ų143132.9 Ų132.967%0.66875%0.75SS**  cis-159.6141.9-746.1-161.44.300115.2
60D36.5Very low34.6Very low163 Ų163135.6 Ų135.687%0.87275%0.751SS**  trans46115.8139.6-133.8-128.5000123.6
61D32.3Very low34.9Very low147 Ų147137 Ų13779%0.78675%0.75SS**  177.8139.3123.6-169.4-105.8000109.9
62E34.4Very low35.2Very low141 Ų141133.2 Ų133.266%0.65974%0.74SS**  trans-139.4137.9171.6-153.7-139.6104.800109.8N64E62-N64 PolarHBondContact OE1-N 2.76Å; E62-N64 PolarHBondContact OE1-ND2 2.81Å
63P41.7Very low34.7Very low106 Ų106134.2 Ų134.269%0.68875%0.747SS**  -146.6137.9103.734.4-17.7000116.9
64N34.9Very low34.7Very low134 Ų134132.6 Ų132.672%0.71775%0.751SS**  trans-0.7113.6150.6-98.7-100.5000119.1E62E62-N64 PolarHBondContact OE1-N 2.76Å; E62-N64 PolarHBondContact OE1-ND2 2.81Å
65L32.4Very low34.4Very low164 Ų164127.5 Ų127.586%0.85975%0.748SS**  trans-144.9112.1154-81.2-175.9000114.1
66V32.8Very low34.8Very low124 Ų124126.6 Ų126.675%0.75275%0.752SS**  trans31.2112.7148-170.20000119G68V66-G68 PolarHBondContact O-N 3.4Å
67P39.5Very low35.2Very low123 Ų123131.2 Ų131.280%0.79976%0.755SS**  trans-63.5127.1163-19.332.4000112.2
68G33.6Very low35.7Very low55 Ų55130.9 Ų130.957%0.56775%0.751SS**  trans-62.6160.3168.200000112.3V66 Q70V66-G68 PolarHBondContact O-N 3.4Å; G68-Q70 PolarHBondContact O-N 3.49Å
69P38.3Very low36.5Very low133 Ų133125.7 Ų125.786%0.86474%0.743SS**  trans-66.3104-170.826.9-35000111.7V71P69-V71 PolarHBondContact O-N 2.94Å
70Q32.8Very low37.5Very low186 Ų186124.2 Ų124.287%0.86974%0.736SS**PPolyproline II helixtrans-62.7122.4164.1-69.9-150.668.300108.8G68 P72G68-Q70 PolarHBondContact O-N 3.49Å; Q70-P72 WeakPolarHBondContact O-CD 3.49Å
71V36.7Very low39Very low131 Ų131117.1 Ų117.179%0.79470%0.698SS**PPolyproline II helixtrans-62.2121168-179.70000106.7P69P69-V71 PolarHBondContact O-N 2.94Å
72P37.1Very low41.4Very low101 Ų101111.9 Ų111.966%0.65667%0.673SS**PPolyproline II helixtrans-60.9140.2177.725.9-33.7000108.8Q70 A74Q70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-A74 PolarHBondContact O-N 3.1Å; P72-A74 VanDerWaalsContact O-N 3.11Å
73P39.7Very low44.1Very low126 Ų126105.2 Ų105.282%0.81864%0.642SS**PPolyproline II helixtrans-55125.5171.924.7-33.1000107.7S75P73-S75 PolarHBondContact O-N 3.26Å; P73-S75 VanDerWaalsContact O-N 3.16Å
74A29.2Very low46.3Very low90 Ų90104.5 Ų104.574%0.74463%0.631SS**PPolyproline II helixtrans-53.4127-178.100000108.5P72 S76P72-A74 PolarHBondContact O-N 3.1Å; P72-A74 VanDerWaalsContact O-N 3.11Å; A74-S76 PolarHBondContact O-N 3.49Å
75S31.5Very low48.9Very low106 Ų106103.2 Ų103.274%0.74162%0.624SS**  trans-6498.2-175.757.20000109.2P73 Q77P73-S75 PolarHBondContact O-N 3.26Å; P73-S75 VanDerWaalsContact O-N 3.16Å; S75-Q77 VanDerWaalsContact C-N 3.26Å; S75-Q77 PolarHBondContact O-N 2.96Å
76S40.1Very low51.7Low115 Ų11598.2 Ų98.280%0.80460%0.602SS**  trans-58.891.6168.6-64.30000107.9A74 P78A74-S76 PolarHBondContact O-N 3.49Å; S76-P78 VanDerWaalsContact O-CD 3.28Å; S76-P78 WeakPolarHBondContact O-CD 3.28Å; S76-P78 VanDerWaalsContact O-N 3.14Å
77Q35.9Very low54.3Low166 Ų16699.4 Ų99.478%0.77660%0.599SS**  trans-60.8118.4171.6-73-170.1-36.500106.9S75 V79S75-Q77 VanDerWaalsContact C-N 3.26Å; S75-Q77 PolarHBondContact O-N 2.96Å; Q77-V79 PolarHBondContact O-N 3Å; Q77-V79 VanDerWaalsContact O-N 3.16Å
78P45.3Very low56.4Low84 Ų84102.1 Ų102.155%0.54559%0.594SS.*  trans-61.1124.7171.726.5-32.5000106.5S76 Q80S76-P78 VanDerWaalsContact O-CD 3.28Å; S76-P78 WeakPolarHBondContact O-CD 3.28Å; S76-P78 VanDerWaalsContact O-N 3.14Å; P78-Q80 PolarHBondContact O-N 2.81Å
79V48.4Very low58.7Low102 Ų102104.6 Ų104.662%0.61859%0.59SS**  trans-64.2100.5179-179.40000106.9Q77 T81 M125Q77-V79 PolarHBondContact O-N 3Å; Q77-V79 VanDerWaalsContact O-N 3.16Å; V79-T81 PolarHBondContact O-N 3.44Å; V79-M125 HydrophobicContact CG1-CE 3.73Å; V79-M125 HydrophobicContact CG1-SD 3.68Å
80Q54.7Low60.4Low112 Ų112100.8 Ų100.852%0.52356%0.559SS.*  trans-65105.7-169.8-66.8-169.5-57.200109.6P78 C82 E89P78-Q80 PolarHBondContact O-N 2.81Å; Q80-C82 PolarHBondContact O-N 3.16Å; Q80-E89 PolarHBondContact NE2-OE1 2.86Å; Q80-E89 PolarHBondContact NE2-OE2 3.13Å
81T67.5Low62.1Low14 Ų14101.2 Ų101.29%0.08656%0.558CS.*  trans-8067-179510000110.2V79 R90 P126V79-T81 PolarHBondContact O-N 3.44Å; T81-R90 VanDerWaalsContact O-CB 3.27Å; T81-R90 WeakPolarHBondContact O-CB 3.42Å; T81-R90 PolarHBondContact O-N 3.03Å; T81-R90 WeakPolarHBondContact OG1-CB 3.44Å; T81-P126 HydrophobicContact CG2-CG 3.58Å
82C83.1Confident63.1Low37 Ų3798.7 Ų98.725%0.2556%0.558CS.*BIsolated β-bridgetrans-67.7150.2178.8-64.40000112.1Q80 L84 H87Q80-C82 PolarHBondContact O-N 3.16Å; C82-L84 PolarHBondContact O-N 3.11Å; C82-H87 WeakPolarHBondContact CB-O 3.32Å
83C90.1Very high63.7Low1 Ų1101.9 Ų101.91%0.00756%0.557CS.*BIsolated β-bridgetrans-66.7124.9173.5177.20000110.3L85 C86 H87 R88 W128 C130C83-L85 PolarHBondContact O-N 2.8Å; C83-L85 VanDerWaalsContact O-N 3.11Å; C83-C86 VanDerWaalsContact CB-SG 3.57Å; C83-C86 PolarHBondContact O-N 2.8Å; C83-H87 WeakPolarHBondContact O-CA 3.44Å; C83-H87 PolarHBondContact O-N 2.79Å; C83-R88 PolarHBondContact N-O 3.29Å; C83-W128 CarbonylContact C-O 3.57Å; C83-W128 WeakPolarHBondContact CA-O 3.21Å; C83-W128 HydrophobicContact CB-CE3 3.95Å; C83-W128 HydrophobicContact CB-CZ3 3.89Å; C83-C130 HydrophobicContact CB-CB 3.95Å; C83-C130 PolarHBondContact SG-N 2.81Å; C83-C130 VanDerWaalsContact SG-SG 3.64Å
84L88.4Confident63.9Low90 Ų90103.3 Ų103.347%0.47155%0.553SS.*THydrogen-bonded Turntrans-59-25.4180-63.2174.7000114.2C82 L127 W128C82-L84 PolarHBondContact O-N 3.11Å; L84-L127 HydrophobicContact CD1-CB 3.86Å; L84-L127 HydrophobicContact CD1-CD2 3.95Å; L84-L127 HydrophobicContact CD1-CG 4.37Å; L84-L127 HydrophobicContact CD2-CD2 4.13Å; L84-W128 WeakPolarHBondContact CG-O 3.38Å; L84-W128 PolarHBondContact N-O 3.28Å
85L89.6Confident64.4Low108 Ų108106.4 Ų106.457%0.56555%0.552SS**THydrogen-bonded Turntrans-100.3-16.5-175.4-60.9-177000114.5C83 V129 C133C83-L85 PolarHBondContact O-N 2.8Å; C83-L85 VanDerWaalsContact O-N 3.11Å; L85-V129 HydrophobicContact CD1-CG1 3.8Å; L85-V129 HydrophobicContact CD1-CG2 4.41Å; L85-V129 HydrophobicContact CG-CG1 4.28Å; L85-V129 HydrophobicContact CG-CG2 4.38Å; L85-C133 HydrophobicContact CB-CB 3.88Å; L85-C133 HydrophobicContact CD1-CB 4.02Å
86C91.8Very high64.8Low59 Ų59104.2 Ų104.240%0.39955%0.546SS..THydrogen-bonded Turntrans-140.76.7-179.6710000114.8C83 R88 C130 C133C83-C86 VanDerWaalsContact CB-SG 3.57Å; C83-C86 PolarHBondContact O-N 2.8Å; C86-R88 PolarHBondContact O-N 3.47Å; C86-C130 VanDerWaalsContact SG-SG 3.65Å; C86-C133 VanDerWaalsContact CB-SG 3.57Å; C86-C133 PolarHBondContact SG-SG 3.33Å
87H86.1Confident64.8Low149 Ų149105.1 Ų105.169%0.6955%0.549SS*.  trans55.8-0177.4-66.2-112000116.3C82 C83 E89C82-H87 WeakPolarHBondContact CB-O 3.32Å; C83-H87 WeakPolarHBondContact O-CA 3.44Å; C83-H87 PolarHBondContact O-N 2.79Å; H87-E89 PolarHBondContact O-N 3.43Å
88R85.2Confident64.7Low180 Ų180101.8 Ų101.868%0.67954%0.544SS*.  trans-64.8129.1174.7-178.3174.7-80.3-175.1-4.3110.4C83 C86C83-R88 PolarHBondContact N-O 3.29Å; C86-R88 PolarHBondContact O-N 3.47Å
89E81.5Confident64.6Low106 Ų106106 Ų10650%0.49556%0.556SS.*BIsolated β-bridgetrans-59.2143.5176.9-64.9170.6-161.200112.7Q80 H87 K91Q80-E89 PolarHBondContact NE2-OE1 2.86Å; Q80-E89 PolarHBondContact NE2-OE2 3.13Å; H87-E89 PolarHBondContact O-N 3.43Å; E89-K91 PolarHBondContact O-N 2.9Å
90R74.6Confident64.1Low53 Ų53108.8 Ų108.820%0.257%0.568CS.*  trans-71.290.9169.3-174.7-167.4-67.9-178.53.9110.4T81 G92 W93 W128T81-R90 VanDerWaalsContact O-CB 3.27Å; T81-R90 WeakPolarHBondContact O-CB 3.42Å; T81-R90 PolarHBondContact O-N 3.03Å; T81-R90 WeakPolarHBondContact OG1-CB 3.44Å; R90-G92 PolarHBondContact O-N 2.83Å; R90-W93 HydrophobicContact CG-CB 4.47Å; R90-W128 HydrophobicContact CB-CD2 4.34Å; R90-W128 HydrophobicContact CB-CE3 3.9Å; R90-W128 HydrophobicContact CB-CH2 3.85Å; R90-W128 HydrophobicContact CB-CZ2 4.28Å; R90-W128 HydrophobicContact CB-CZ3 3.65Å; R90-W128 HydrophobicContact CG-CH2 4.05Å; R90-W128 HydrophobicContact CG-CZ2 4.03Å; R90-W128 HydrophobicContact CG-CZ3 4.3Å
91K67.8Low62.9Low196 Ų196107.1 Ų107.185%0.85258%0.581SS**THydrogen-bonded Turntrans-59.5130.8167.7-61.6-168.8174.6-165.60109.8E89E89-K91 PolarHBondContact O-N 2.9Å
92G56.9Low61.6Low77 Ų77115.1 Ų115.179%0.79462%0.622SS**THydrogen-bonded Turntrans88.535176.100000116.3R90R90-G92 PolarHBondContact O-N 2.83Å
93W50.6Low59.2Low168 Ų168119.6 Ų119.664%0.63665%0.648SS**  trans-101.8-23.3168.2-170-104.4000113.8R90 E95R90-W93 HydrophobicContact CG-CB 4.47Å; W93-E95 VanDerWaalsContact C-N 3.26Å; W93-E95 PolarHBondContact O-N 2.94Å; W93-E95 VanDerWaalsContact O-N 3.1Å
94E43.5Very low56.5Low157 Ų157127.5 Ų127.573%0.73469%0.689SS**SBendtrans-81.969.4168.9-76.8-72.2116.700109.9
95E40.4Very low54.1Low155 Ų155133 Ų13372%0.72471%0.712SS**  trans-158.270.1162.3-151.779.2-105.300109.4W93W93-E95 VanDerWaalsContact C-N 3.26Å; W93-E95 PolarHBondContact O-N 2.94Å; W93-E95 VanDerWaalsContact O-N 3.1Å
96G38.9Very low51.4Low60 Ų60131.4 Ų131.462%0.61972%0.722SS**  trans-65.9145.7163.700000109.4S98G96-S98 PolarHBondContact O-N 3.16Å
97P41.2Very low48.7Very low134 Ų134137.4 Ų137.487%0.8775%0.745SS**  trans-57.6110-16321.7-33.9000112.6
98S34.1Very low46.5Very low95 Ų95139.3 Ų139.366%0.66475%0.751SS**  trans-64.2138.5171.246.50000109.8G96G96-S98 PolarHBondContact O-N 3.16Å
99Q43Very low44Very low172 Ų172138.5 Ų138.580%0.80476%0.759SS**SBendtrans-77.7135.7-178-62.8177.78.800109.6
100N37.3Very low41.8Very low161 Ų161138.1 Ų138.186%0.86177%0.766SS**  trans76.3101178.2-42.4-69.7000115.2
101G29.1Very low40.4Very low77 Ų77141.7 Ų141.779%0.79480%0.796SS**  trans-177.5108170.800000111.5V103G101-V103 PolarHBondContact O-N 3.17Å
102L40.5Very low38.8Very low182 Ų182139.5 Ų139.595%0.95379%0.793SS**  trans-82.6111.6-179.9-82.2166.1000111.3
103V33.6Very low38Very low132 Ų132145.3 Ų145.380%0.880%0.797SS**  trans-136.4112.4162.4-1770000110.8G101G101-V103 PolarHBondContact O-N 3.17Å
104L32.8Very low37.3Very low167 Ų167144.7 Ų144.787%0.87480%0.803SS**  trans18.6136.1152.3-68.9155.1000121.1
105Q37.3Very low37Very low204 Ų204142.5 Ų142.595%0.95380%0.803SS**  trans-66.9145.5165.4-66.3-170.330.600112.6
106G32.3Very low37.1Very low75 Ų75145.2 Ų145.277%0.77381%0.812SS**  trans-169.6114.4165.500000111.9
107E36.3Very low37Very low186 Ų186148.5 Ų148.587%0.86982%0.815SS**  trans44.392.3167-61.8-157.379.400121
108K39.6Very low36.8Very low189 Ų189147.8 Ų147.882%0.82281%0.808SS**  47.696.9116.7-171.7-162.9177-174.80119.2
109L32.2Very low37.4Very low163 Ų163152.2 Ų152.285%0.85382%0.815SS**  trans-147.1148.2136.5-82.1-172000111.3
110P35.4Very low37.3Very low98 Ų98151.6 Ų151.664%0.63682%0.817SS**  trans-75.1141.3176.5-15.631.4000113.4D112P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 PolarHBondContact O-N 3.41Å; P110-D112 VanDerWaalsContact O-N 3.17Å
111P45Very low37.4Very low128 Ų128151.4 Ų151.483%0.83182%0.815SS**THydrogen-bonded Turntrans-84.926.2-173.335.7-37.9000115.6
112D34.2Very low37.9Very low149 Ų149155.6 Ų155.680%0.79782%0.819SS**THydrogen-bonded Turntrans-86.4-6.1-176.8-79.8-64.4000115P110 M114P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 PolarHBondContact O-N 3.41Å; P110-D112 VanDerWaalsContact O-N 3.17Å; D112-M114 PolarHBondContact O-N 2.77Å
113F40.9Very low38.4Very low199 Ų199150.8 Ų150.887%0.87381%0.813SS**SBendtrans-92.529.1-171.9-122.2-81.1000116
114M34.9Very low38.8Very low155 Ų155151.9 Ų151.976%0.76481%0.809SS**  trans-137.1107.1169.4-84.5-78.492.600111.7D112 K116D112-M114 PolarHBondContact O-N 2.77Å; M114-K116 PolarHBondContact O-N 3.34Å
115P38.2Very low39.5Very low111 Ų111148.9 Ų148.972%0.72179%0.792SS**  trans-58.6126.5165.9-21.333.2000109.9L117P115-L117 PolarHBondContact O-N 3.11Å
116K41.8Very low40.6Very low212 Ų212142.3 Ų142.392%0.92277%0.767SS**  trans-7470.6174.3-70.3172.1-178.8166.30109.9M114M114-K116 PolarHBondContact O-N 3.34Å
117L38.1Very low42.7Very low130 Ų130145.3 Ų145.368%0.68177%0.765SS**  trans-64141.6-178.9-168.861.6000110.5P115 K119P115-L117 PolarHBondContact O-N 3.11Å; L117-K119 PolarHBondContact O-N 2.96Å; L117-K119 VanDerWaalsContact O-N 3.13Å
118V36.4Very low45.1Very low118 Ų118139.6 Ų139.672%0.71574%0.735SS**  trans-69.7109-165.7179.50000110.9N120V118-N120 PolarHBondContact O-N 3.4Å
119K45.6Very low47.5Very low189 Ų189132.7 Ų132.782%0.82271%0.709SS**THydrogen-bonded Turntrans-55.1136.4162.1-83.3-173.1173.5-178.30109.1L117L117-K119 PolarHBondContact O-N 2.96Å; L117-K119 VanDerWaalsContact O-N 3.13Å
120N41.8Very low50.3Low158 Ų158125.6 Ų125.685%0.84567%0.672SS**THydrogen-bonded Turntrans87.341176.2-46.1-68.2000118V118V118-N120 PolarHBondContact O-N 3.4Å
121L40.2Very low52.8Low157 Ų157126.2 Ų126.282%0.82267%0.667SS**SBendtrans-139.5107.8148.7-144.771.2000113.1
122L39.7Very low55Low166 Ų166124.3 Ų124.387%0.86966%0.657SS**SBendtrans46.680.2158.5-161.768.1000119.1E124L122-E124 PolarHBondContact O-N 3.09Å; L122-E124 VanDerWaalsContact O-N 3.14Å
123G49.4Very low57.7Low80 Ų80118.3 Ų118.383%0.82563%0.626SS**  trans71.717.2135.100000119.4M125G123-M125 PolarHBondContact O-N 2.9Å
124E42.4Very low60.1Low155 Ų155115.4 Ų115.472%0.72461%0.609SS**  trans-65.499.2171.8-69.3-171.4160.500111.3L122 P126L122-E124 PolarHBondContact O-N 3.09Å; L122-E124 VanDerWaalsContact O-N 3.14Å; E124-P126 WeakPolarHBondContact O-CD 3.27Å
125M48.1Very low62.8Low105 Ų105114.1 Ų114.152%0.51760%0.599SS.*  trans-62.7120.7168.1-179.569.175.700108.6V79 G123 L127V79-M125 HydrophobicContact CG1-CE 3.73Å; V79-M125 HydrophobicContact CG1-SD 3.68Å; G123-M125 PolarHBondContact O-N 2.9Å; M125-L127 PolarHBondContact O-N 3.41Å
126P59.2Low65.4Low65 Ų65112.3 Ų112.342%0.42259%0.589SS.*  trans-73.291.7-178.429.9-35.1000110.2T81 E124 W128T81-P126 HydrophobicContact CG2-CG 3.58Å; E124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-W128 PolarHBondContact O-N 2.88Å
127L77.9Confident67.7Low139 Ų139107.5 Ų107.573%0.72857%0.571SS**  trans-48.8109.7178.3-64.3-174.5000110.6L84 M125L84-L127 HydrophobicContact CD1-CB 3.86Å; L84-L127 HydrophobicContact CD1-CD2 3.95Å; L84-L127 HydrophobicContact CD1-CG 4.37Å; L84-L127 HydrophobicContact CD2-CD2 4.13Å; M125-L127 PolarHBondContact O-N 3.41Å
128W86.1Confident70.2Confident65 Ų65106.3 Ų106.325%0.24656%0.562CS.*BIsolated β-bridgetrans-120.9135.9-173.3-175.860.1000111.9C83 L84 R90 P126 C130C83-W128 CarbonylContact C-O 3.57Å; C83-W128 WeakPolarHBondContact CA-O 3.21Å; C83-W128 HydrophobicContact CB-CE3 3.95Å; C83-W128 HydrophobicContact CB-CZ3 3.89Å; L84-W128 WeakPolarHBondContact CG-O 3.38Å; L84-W128 PolarHBondContact N-O 3.28Å; R90-W128 HydrophobicContact CB-CD2 4.34Å; R90-W128 HydrophobicContact CB-CE3 3.9Å; R90-W128 HydrophobicContact CB-CH2 3.85Å; R90-W128 HydrophobicContact CB-CZ2 4.28Å; R90-W128 HydrophobicContact CB-CZ3 3.65Å; R90-W128 HydrophobicContact CG-CH2 4.05Å; R90-W128 HydrophobicContact CG-CZ2 4.03Å; R90-W128 HydrophobicContact CG-CZ3 4.3Å; P126-W128 PolarHBondContact O-N 2.88Å; W128-C130 HydrophobicContact CE3-CB 4.49Å; W128-C130 HydrophobicContact CH2-CB 3.39Å; W128-C130 HydrophobicContact CZ2-CB 3.66Å; W128-C130 HydrophobicContact CZ3-CB 3.84Å
129V89.7Confident72.6Confident45 Ų45107.2 Ų107.227%0.27356%0.559SS.*  trans-118.9125168-179.80000107.4L85 C133 R134L85-V129 HydrophobicContact CD1-CG1 3.8Å; L85-V129 HydrophobicContact CD1-CG2 4.41Å; L85-V129 HydrophobicContact CG-CG1 4.28Å; L85-V129 HydrophobicContact CG-CG2 4.38Å; V129-C133 HydrophobicContact CG1-CB 3.72Å; V129-R134 HydrophobicContact CG1-CB 4.41Å
130C90.9Very high74.6Confident13 Ų13102.9 Ų102.99%0.08855%0.545CS..  trans-69.2157.4-178.977.80000111.5C83 C86 W128 S132 C133 R134C83-C130 HydrophobicContact CB-CB 3.95Å; C83-C130 PolarHBondContact SG-N 2.81Å; C83-C130 VanDerWaalsContact SG-SG 3.64Å; C86-C130 VanDerWaalsContact SG-SG 3.65Å; W128-C130 HydrophobicContact CE3-CB 4.49Å; W128-C130 HydrophobicContact CH2-CB 3.39Å; W128-C130 HydrophobicContact CZ2-CB 3.66Å; W128-C130 HydrophobicContact CZ3-CB 3.84Å; C130-S132 PolarHBondContact O-N 3.4Å; C130-S132 VanDerWaalsContact O-N 3.13Å; C130-C133 PolarHBondContact O-N 2.87Å; C130-C133 VanDerWaalsContact O-N 3.09Å; C130-R134 PolarHBondContact O-N 3.05Å
131Q88.2Confident76.9Confident112 Ų112102.1 Ų102.152%0.52354%0.536SS..Hα-helixtrans-58.5-31.5-174.8-171.358.973.400113.4K135Q131-K135 HydrophobicContact CG-CD 4.48Å; Q131-K135 WeakPolarHBondContact O-CB 3.29Å; Q131-K135 WeakPolarHBondContact O-CG 3.46Å; Q131-K135 PolarHBondContact O-N 3.34Å
132S90.5Very high79Confident88 Ų88101.7 Ų101.762%0.61552%0.523SS*.Hα-helixtrans-67.6-47.3175.6-53.10000112.1C130 K135 S136C130-S132 PolarHBondContact O-N 3.4Å; C130-S132 VanDerWaalsContact O-N 3.13Å; S132-K135 PolarHBondContact O-N 3.21Å; S132-S136 WeakPolarHBondContact O-CB 3.4Å; S132-S136 PolarHBondContact O-N 3.19Å
133C92.6Very high80.8Confident22 Ų2298 Ų9815%0.14950%0.502CS..Hα-helixtrans-70.7-34.3178.7-64.30000112.1L85 C86 V129 C130 S136 M137L85-C133 HydrophobicContact CB-CB 3.88Å; L85-C133 HydrophobicContact CD1-CB 4.02Å; C86-C133 VanDerWaalsContact CB-SG 3.57Å; C86-C133 PolarHBondContact SG-SG 3.33Å; V129-C133 HydrophobicContact CG1-CB 3.72Å; C130-C133 PolarHBondContact O-N 2.87Å; C130-C133 VanDerWaalsContact O-N 3.09Å; C133-S136 PolarHBondContact O-N 2.94Å; C133-M137 WeakPolarHBondContact O-CB 3.44Å; C133-M137 PolarHBondContact O-N 3.01Å
134R91.1Very high81.9Confident139 Ų13997.1 Ų97.153%0.52548%0.48SS..Hα-helixtrans-59.9-48.1170.5179.8-179.1-73.6-107.80.8111.2V129 C130 M137 E138V129-R134 HydrophobicContact CG1-CB 4.41Å; C130-R134 PolarHBondContact O-N 3.05Å; R134-M137 PolarHBondContact O-N 3.47Å; R134-E138 WeakPolarHBondContact O-CB 3.22Å; R134-E138 PolarHBondContact O-N 3.29Å
135K90.8Very high83.1Confident128 Ų12891.8 Ų91.856%0.55747%0.467SS*.Hα-helixtrans-62.3-43.1176.2-78.2178.4175.6-168.90112.1Q131 S132 M137 E138 E139Q131-K135 HydrophobicContact CG-CD 4.48Å; Q131-K135 WeakPolarHBondContact O-CB 3.29Å; Q131-K135 WeakPolarHBondContact O-CG 3.46Å; Q131-K135 PolarHBondContact O-N 3.34Å; S132-K135 PolarHBondContact O-N 3.21Å; K135-M137 VanDerWaalsContact C-N 3.31Å; K135-M137 PolarHBondContact O-N 3.3Å; K135-E138 PolarHBondContact O-N 3.36Å; K135-E139 VanDerWaalsContact O-CB 3.22Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 PolarHBondContact O-N 2.74Å
136S92.6Very high84.1Confident73 Ų7393.9 Ų93.951%0.5147%0.47SS..Hα-helixtrans-61.2-38.7177.3-169.60000112.4S132 C133 D140S132-S136 WeakPolarHBondContact O-CB 3.4Å; S132-S136 PolarHBondContact O-N 3.19Å; C133-S136 PolarHBondContact O-N 2.94Å; S136-D140 VanDerWaalsContact O-CB 3.29Å; S136-D140 WeakPolarHBondContact O-CB 3.45Å; S136-D140 PolarHBondContact O-N 2.93Å
137M90.6Very high84.4Confident110 Ų11096.2 Ų96.254%0.54248%0.475SS..Hα-helixtrans-70.1-40.3176.5-174.9-163.68300112.1C133 R134 K135 E139 D140 E141C133-M137 WeakPolarHBondContact O-CB 3.44Å; C133-M137 PolarHBondContact O-N 3.01Å; R134-M137 PolarHBondContact O-N 3.47Å; K135-M137 VanDerWaalsContact C-N 3.31Å; K135-M137 PolarHBondContact O-N 3.3Å; M137-E139 VanDerWaalsContact C-N 3.33Å; M137-D140 PolarHBondContact O-N 3.34Å; M137-E141 WeakPolarHBondContact O-CB 3.33Å; M137-E141 PolarHBondContact O-N 3.01Å
138E90.1Very high83.4Confident106 Ų10695.7 Ų95.750%0.49547%0.468SS..Hα-helixtrans-69.8-30.4175.7-167.4-176.8136.900112.1R134 K135 R142R134-E138 WeakPolarHBondContact O-CB 3.22Å; R134-E138 PolarHBondContact O-N 3.29Å; K135-E138 PolarHBondContact O-N 3.36Å; E138-R142 WeakPolarHBondContact O-CB 3.3Å; E138-R142 WeakPolarHBondContact O-CD 3.34Å; E138-R142 WeakPolarHBondContact O-CG 3.2Å; E138-R142 PolarHBondContact O-N 3.28Å
139E87.5Confident82.1Confident136 Ų13695 Ų9564%0.63648%0.477SS*.Hα-helixtrans-74.9-40.8172.9-174.5160.3-141.500111.9K135 M137 R142 Q143K135-E139 VanDerWaalsContact O-CB 3.22Å; K135-E139 WeakPolarHBondContact O-CB 3.36Å; K135-E139 PolarHBondContact O-N 2.74Å; M137-E139 VanDerWaalsContact C-N 3.33Å; E139-R142 CarbonylContact O-C 3.56Å; E139-R142 PolarHBondContact O-N 3.32Å; E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.84Å
140D87.9Confident80.7Confident98 Ų9896.7 Ų96.752%0.52449%0.487SS..Hα-helixtrans-61.7-47.9172.2-168148.7000111.3S136 M137 R142 Q143 T144S136-D140 VanDerWaalsContact O-CB 3.29Å; S136-D140 WeakPolarHBondContact O-CB 3.45Å; S136-D140 PolarHBondContact O-N 2.93Å; M137-D140 PolarHBondContact O-N 3.34Å; D140-R142 VanDerWaalsContact C-N 3.28Å; D140-R142 PolarHBondContact O-N 3.21Å; D140-Q143 CarbonylContact O-C 3.52Å; D140-Q143 PolarHBondContact O-N 2.95Å; D140-T144 WeakPolarHBondContact O-CB 3.49Å; D140-T144 PolarHBondContact O-N 3.14Å; D140-T144 PolarHBondContact O-OG1 3.13Å; D140-T144 PolarHBondContact OD2-OG1 2.82Å
141E88.4Confident79.2Confident142 Ų14298.7 Ų98.766%0.66450%0.504SS*.Hα-helixtrans-57.3-41.9175-172.8-178.892.400111.7M137 G145M137-E141 WeakPolarHBondContact O-CB 3.33Å; M137-E141 PolarHBondContact O-N 3.01Å; E141-G145 PolarHBondContact O-N 2.81Å
142R85.4Confident77.7Confident148 Ų14898.4 Ų98.456%0.55851%0.505SS*.Hα-helixtrans-72.9-25.1176.4-70.3176.779.4-120.75.8113.4E138 E139 D140 R146E138-R142 WeakPolarHBondContact O-CB 3.3Å; E138-R142 WeakPolarHBondContact O-CD 3.34Å; E138-R142 WeakPolarHBondContact O-CG 3.2Å; E138-R142 PolarHBondContact O-N 3.28Å; E139-R142 CarbonylContact O-C 3.56Å; E139-R142 PolarHBondContact O-N 3.32Å; D140-R142 VanDerWaalsContact C-N 3.28Å; D140-R142 PolarHBondContact O-N 3.21Å; R142-R146 VanDerWaalsContact O-CD 3.3Å; R142-R146 WeakPolarHBondContact O-CD 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.44Å; R142-R146 PolarHBondContact O-N 3.37Å
143Q76.7Confident76.1Confident88 Ų8897.6 Ų97.641%0.41150%0.5SS..Hα-helixtrans-80.7-47.8175-178.160.414.500111E139 D140 G145 R146 E147E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.84Å; D140-Q143 CarbonylContact O-C 3.52Å; D140-Q143 PolarHBondContact O-N 2.95Å; Q143-G145 VanDerWaalsContact C-N 3.28Å; Q143-G145 PolarHBondContact O-N 2.63Å; Q143-R146 CarbonylContact O-C 3.58Å; Q143-R146 WeakPolarHBondContact O-CA 3.19Å; Q143-R146 WeakPolarHBondContact O-CB 3.43Å; Q143-R146 PolarHBondContact O-N 2.83Å; Q143-E147 PolarHBondContact NE2-OE1 2.81Å; Q143-E147 PolarHBondContact O-N 2.93Å
144T72.6Confident74.1Confident62 Ų62101.8 Ų101.838%0.3852%0.52SS..Hα-helixtrans-54.8-43.8170.8-68.70000111D140 R146 E147 H148D140-T144 WeakPolarHBondContact O-CB 3.49Å; D140-T144 PolarHBondContact O-N 3.14Å; D140-T144 PolarHBondContact O-OG1 3.13Å; D140-T144 PolarHBondContact OD2-OG1 2.82Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact O-N 3.34Å; T144-E147 PolarHBondContact O-N 3.28Å; T144-H148 PolarHBondContact O-CD2 3.42Å; T144-H148 PolarHBondContact O-N 3.37Å
145G68.6Low72.2Confident44 Ų4499.8 Ų99.845%0.45453%0.527SS..Hα-helixtrans-62.3-32.7173.300000114.1E141 Q143 A149E141-G145 PolarHBondContact O-N 2.81Å; Q143-G145 VanDerWaalsContact C-N 3.28Å; Q143-G145 PolarHBondContact O-N 2.63Å; G145-A149 PolarHBondContact O-N 3.29Å
146R69.5Low70.2Confident149 Ų149101.1 Ų101.156%0.56254%0.535SS*.Hα-helixtrans-74.2-41.3173-75.5165.3176.1-133.2-9.2112.1R142 Q143 T144 A149 V150R142-R146 VanDerWaalsContact O-CD 3.3Å; R142-R146 WeakPolarHBondContact O-CD 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.44Å; R142-R146 PolarHBondContact O-N 3.37Å; Q143-R146 CarbonylContact O-C 3.58Å; Q143-R146 WeakPolarHBondContact O-CA 3.19Å; Q143-R146 WeakPolarHBondContact O-CB 3.43Å; Q143-R146 PolarHBondContact O-N 2.83Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact O-N 3.34Å; R146-A149 PolarHBondContact O-N 3.28Å; R146-V150 WeakPolarHBondContact O-CB 3.37Å; R146-V150 VanDerWaalsContact O-CG2 3.3Å; R146-V150 WeakPolarHBondContact O-CG2 3.4Å; R146-V150 PolarHBondContact O-N 2.74Å
147E63.8Low68.1Low114 Ų114102.7 Ų102.753%0.53354%0.542SS..Hα-helixtrans-68.8-37.7-179.5-71.8-177.9-164.400111.6Q143 T144 V150 A151Q143-E147 PolarHBondContact NE2-OE1 2.81Å; Q143-E147 PolarHBondContact O-N 2.93Å; T144-E147 PolarHBondContact O-N 3.28Å; E147-V150 PolarHBondContact O-N 2.8Å; E147-A151 WeakPolarHBondContact O-CB 3.35Å; E147-A151 PolarHBondContact O-N 3.21Å
148H58.9Low65.9Low127 Ų127102.8 Ų102.859%0.58855%0.553SS**Hα-helixtrans-60.3-44.7167.6-89.1-90.8000112.4T144 V150 A151 I152T144-H148 PolarHBondContact O-CD2 3.42Å; T144-H148 PolarHBondContact O-N 3.37Å; H148-V150 PolarHBondContact O-N 2.95Å; H148-A151 PolarHBondContact O-N 3.29Å; H148-I152 WeakPolarHBondContact O-CD1 3.45Å; H148-I152 VanDerWaalsContact O-CG1 3.31Å; H148-I152 WeakPolarHBondContact O-CG1 3.3Å; H148-I152 PolarHBondContact O-N 3.35Å; H148-I152 VanDerWaalsContact O-N 3.1Å
149A58.8Low63.8Low51 Ų51103.6 Ų103.642%0.42157%0.569SS.*Hα-helixtrans-64.8-37176.400000112.8G145 R146 S153G145-A149 PolarHBondContact O-N 3.29Å; R146-A149 PolarHBondContact O-N 3.28Å; A149-S153 WeakPolarHBondContact O-CB 3.45Å; A149-S153 PolarHBondContact O-N 3.49Å; A149-S153 PolarHBondContact O-OG 3.32Å
150V60Low61.5Low80 Ų80106.6 Ų106.649%0.48558%0.58SS.*Hα-helixtrans-70.7-40.4176.1169.20000111.7R146 E147 H148 I152 S153 L154R146-V150 WeakPolarHBondContact O-CB 3.37Å; R146-V150 VanDerWaalsContact O-CG2 3.3Å; R146-V150 WeakPolarHBondContact O-CG2 3.4Å; R146-V150 PolarHBondContact O-N 2.74Å; E147-V150 PolarHBondContact O-N 2.8Å; H148-V150 PolarHBondContact O-N 2.95Å; V150-I152 VanDerWaalsContact C-N 3.33Å; V150-I152 PolarHBondContact O-N 2.92Å; V150-S153 PolarHBondContact O-N 3.11Å; V150-S153 VanDerWaalsContact O-N 3.16Å; V150-L154 HydrophobicContact CG1-CD1 3.79Å; V150-L154 HydrophobicContact CG1-CG 4.17Å; V150-L154 WeakPolarHBondContact O-CB 3.35Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.3Å
151A57.8Low59.5Low55 Ų55107.3 Ų107.346%0.45559%0.593SS.*Hα-helixtrans-62-40.8174.900000111.9E147 H148 S155E147-A151 WeakPolarHBondContact O-CB 3.35Å; E147-A151 PolarHBondContact O-N 3.21Å; H148-A151 PolarHBondContact O-N 3.29Å; A151-S155 PolarHBondContact O-N 3.4Å; A151-S155 PolarHBondContact O-OG 3.27Å
152I58.4Low57.1Low107 Ų107110 Ų11055%0.54961%0.605SS.*Hα-helixtrans-64.3-44.4172.2-66.1164.5000110.5H148 V150 S155 H156H148-I152 WeakPolarHBondContact O-CD1 3.45Å; H148-I152 VanDerWaalsContact O-CG1 3.31Å; H148-I152 WeakPolarHBondContact O-CG1 3.3Å; H148-I152 PolarHBondContact O-N 3.35Å; H148-I152 VanDerWaalsContact O-N 3.1Å; V150-I152 VanDerWaalsContact C-N 3.33Å; V150-I152 PolarHBondContact O-N 2.92Å; I152-S155 WeakPolarHBondContact O-CB 3.5Å; I152-S155 PolarHBondContact O-N 3.2Å; I152-H156 PolarHBondContact O-CD2 3.38Å; I152-H156 VanDerWaalsContact O-CD2 3.3Å
153S55.2Low54.6Low71 Ų71108.3 Ų108.350%0.49762%0.616SS.*Hα-helixtrans-63.6-43.2179.8-57.80000113.2A149 V150 S155 H156A149-S153 WeakPolarHBondContact O-CB 3.45Å; A149-S153 PolarHBondContact O-N 3.49Å; A149-S153 PolarHBondContact O-OG 3.32Å; V150-S153 PolarHBondContact O-N 3.11Å; V150-S153 VanDerWaalsContact O-N 3.16Å; S153-S155 PolarHBondContact O-N 2.84Å; S153-H156 PolarHBondContact O-N 3.26Å
154L51.8Low52.6Low110 Ų110110 Ų11058%0.57664%0.637SS**Hα-helixtrans-64-27.6178.2-72.5169.8000112.3V150 H156 T157V150-L154 HydrophobicContact CG1-CD1 3.79Å; V150-L154 HydrophobicContact CG1-CG 4.17Å; V150-L154 WeakPolarHBondContact O-CB 3.35Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.3Å; L154-H156 PolarHBondContact O-N 3.15Å; L154-T157 PolarHBondContact O-N 3.16Å; L154-T157 PolarHBondContact O-OG1 2.94Å
155S51.1Low50.7Low96 Ų96110.1 Ų110.167%0.67165%0.65SS**THydrogen-bonded Turntrans-66.7-12.2174.6-56.50000113.5A151 I152 S153A151-S155 PolarHBondContact O-N 3.4Å; A151-S155 PolarHBondContact O-OG 3.27Å; I152-S155 WeakPolarHBondContact O-CB 3.5Å; I152-S155 PolarHBondContact O-N 3.2Å; S153-S155 PolarHBondContact O-N 2.84Å
156H49.7Very low48.9Very low156 Ų156115.6 Ų115.672%0.72267%0.669SS**THydrogen-bonded Turntrans-107-3.7179.7-70.4-68.6000114.9I152 S153 L154I152-H156 PolarHBondContact O-CD2 3.38Å; I152-H156 VanDerWaalsContact O-CD2 3.3Å; S153-H156 PolarHBondContact O-N 3.26Å; L154-H156 PolarHBondContact O-N 3.15Å
157T47.1Very low47Very low106 Ų106115 Ų11565%0.6568%0.676SS**SBendtrans-98.6-6.5-173.9490000115.6L154 C159L154-T157 PolarHBondContact O-N 3.16Å; L154-T157 PolarHBondContact O-OG1 2.94Å; T157-C159 PolarHBondContact O-N 3.3Å
158S44.4Very low45.6Very low113 Ų113113.5 Ų113.579%0.7968%0.679SS**  trans-93.640.7-172.2-168.30000115.2
159C45.7Very low44.3Very low123 Ų123115.6 Ų115.683%0.83169%0.689SS**  trans-127.486.6175.7-72.80000111.2T157T157-C159 PolarHBondContact O-N 3.3Å
160K40.3Very low43Very low199 Ų199118.1 Ų118.187%0.86570%0.703SS**  trans-134.8112.9174.1-160.875.9174-174.50110.7
161S44.8Very low41.6Very low112 Ų112119.5 Ų119.578%0.78372%0.717SS**  trans-48.6150.5-174.637.20000117.8
162Q38Very low40.3Very low199 Ų199122 Ų12293%0.9373%0.731SS**  trans-114.8156.6147.5-162.5165.726.300108.3
163S34.1Very low39.1Very low113 Ų113122 Ų12279%0.7974%0.74SS**  trans-130.9145.8-156.5-174.90000114.6
164C35.2Very low38Very low124 Ų124123.9 Ų123.984%0.83875%0.753SS**  trans-154.1131.2154.951.40000110.1
165G31.8Very low37.1Very low64 Ų64123.7 Ų123.766%0.6676%0.761SS**  trans-89.9-178.8161.300000110.5
166D30.8Very low36.2Very low159 Ų159123.7 Ų123.785%0.8576%0.761SS**  cis-119.7175.91.1-98-101.6000108.8
167D30.2Very low35.4Very low135 Ų135121.3 Ų121.372%0.72276%0.762SS**  cis-166.8163.744.9-152.8-51.9000112.2
168S32.8Very low34.8Very low84 Ų84121 Ų12159%0.58777%0.765SS**  trans66.390.5154.8-71.60000122.1
169H31.7Very low34.3Very low170 Ų170121 Ų12179%0.78777%0.765SS**  7999.4128.8-58.6-54.2000123.9
170S32.2Very low33.6Very low104 Ų104120.3 Ų120.373%0.72776%0.761SS**  86.3105.9119-57.20000122.4
171S30.6Very low33.3Very low110 Ų110116 Ų11677%0.76976%0.756SS**  97.5118.8129.2-59.10000122.1
172S31.1Very low32.6Very low108 Ų108115.6 Ų115.676%0.75575%0.753SS**  trans90.7105.7139.3-58.80000121.8
173S31.8Very low32.6Very low106 Ų106111.6 Ų111.674%0.74175%0.747SS**  80.199.2124.9-55.50000121.9
174S32.7Very low32.6Very low110 Ų110112 Ų11277%0.76975%0.75SS**  73.1134112.5-54.50000123
175S32.7Very low32.5Very low107 Ų107111.7 Ų111.775%0.74875%0.749SS**  trans83.5104138.7-63.80000122.2
176S33.2Very low32.7Very low95 Ų95114.3 Ų114.366%0.66476%0.756SS**  66.9100.1111.9-52.50000122.3
177S32.4Very low33.5Very low106 Ų106112.8 Ų112.874%0.74176%0.755SS**  75.4162.6119.579.20000122.1
178S33.4Very low33.4Very low101 Ų101109.7 Ų109.771%0.70676%0.755SS**  trans80.6117.4170.1-50.90000115.3
179S34.7Very low33.2Very low113 Ų113113 Ų11379%0.7977%0.766SS**  65.3128.269.9-53.30000111.5
180S32.2Very low33.3Very low107 Ų107109.9 Ų109.975%0.74876%0.763SS**  cis-168.6175.345.7-43.90000113
181S33.1Very low33.3Very low110 Ų110108 Ų10877%0.76976%0.76SS**  25.6147.7124.7-57.20000121.7
182S30.4Very low33.7Very low102 Ų102110.3 Ų110.371%0.71376%0.764SS**  cis-169.3160.4-1.1-93.30000112.7
183S37Very low33.9Very low116 Ų116116.6 Ų116.681%0.81177%0.771SS**  trans26.7124.7147.5-47.10000123.5
184S34.1Very low33.9Very low121 Ų121118.2 Ų118.285%0.84677%0.771SS**  -164.6160.9128.150.90000112.1
185S33Very low34.2Very low117 Ų117118.3 Ų118.382%0.81877%0.77SS**  trans-123.3173-172.1-44.50000110.7
186C36.2Very low34.1Very low120 Ų120117.9 Ų117.981%0.81177%0.766SS**  cis-157.4-162.120-132.10000107.1
187P47.4Very low34.1Very low127 Ų127117.9 Ų117.983%0.82577%0.767SS**  cis-132.6-174.1-0.743.9-27.1000115
188G27.7Very low34Very low70 Ų70122.5 Ų122.572%0.72277%0.774SS**  trans131.991143.600000120.3
189N29.3Very low33.9Very low153 Ų153125.4 Ų125.482%0.81878%0.78SS**  trans55.4129.3139.2-153.660.9000123.1
190S34Very low33.7Very low104 Ų104125.9 Ų125.973%0.72778%0.784SS**  trans54.1110.8152.665.90000120.4
191G32.5Very low33.6Very low65 Ų65125.4 Ų125.467%0.6779%0.786SS**  trans-171.1121.4162.100000110.6
192D39.7Very low33.7Very low158 Ų158129.2 Ų129.285%0.84579%0.792SS**  trans-73.9139.5-177.3-135.7-104.1000111.4
193W35.3Very low33.7Very low241 Ų241133.5 Ų133.591%0.91380%0.797SS**  trans-148.4110.1173.6-71.5107.3000112
194D31.3Very low33.5Very low139 Ų139135.3 Ų135.374%0.74380%0.797SS**  trans-94.6136.3174.217743.7000111.4
195P39.1Very low33.3Very low113 Ų113135.5 Ų135.573%0.73480%0.798SS**  trans-113.276.8-178.539.8-31000114.4
196S31Very low33.1Very low97 Ų97133.5 Ų133.568%0.67880%0.796SS**  trans-163.4154.5156.2-90.70000115.8
197S32.7Very low32.8Very low96 Ų96135.4 Ų135.467%0.67180%0.798SS**  trans75.2138.1175.8-35.80000115.1
198F28.8Very low31.8Very low203 Ų203141.6 Ų141.689%0.8981%0.805SS**  cis-131.1160.910.8-80.3-87.8000113.7
199L32.4Very low31.8Very low161 Ų161145.7 Ų145.784%0.84381%0.81SS**  trans-77.8158.8164.4-74.7164.7000111.7
200S29.9Very low31.7Very low124 Ų124143.6 Ų143.687%0.86781%0.807SS**  trans73.2139.7173.1-49.70000115.4
201A31.1Very low31.8Very low96 Ų96143.8 Ų143.879%0.79381%0.806SS**  cis-140.4151.127.200000115.3
202H34.9Very low31.5Very low191 Ų191149.5 Ų149.588%0.88482%0.815SS**  trans-69.7127.8165.7-133.3-112.2000110.1
203K30.3Very low30.9Very low191 Ų191146.7 Ų146.783%0.8381%0.808SS**  trans-157.7101.6154.4-123.2170.7-175.2-179.30115.6
204L33.2Very low30.5Very low155 Ų155140.6 Ų140.681%0.81280%0.802SS**  trans59.3107.8145.7-58.9175.2000119.7
205S28.8Very low30.1Very low124 Ų124143.1 Ų143.187%0.86781%0.809SS**  trans-64.7152.6151.2-41.90000112.1
206G28.9Very low29.6Very low75 Ų75141.4 Ų141.477%0.77381%0.805SS**  trans94.7112147.100000117.5
207L30.5Very low29.7Very low161 Ų161144.3 Ų144.384%0.84381%0.809SS**  trans-157.684151.4-112.8-180000110.3
208W27.2Very low30.4Very low256 Ų256145.7 Ų145.797%0.9782%0.816SS**  trans-149.686.4159.5-101.792.1000109.4
209N27.9Very low30.3Very low157 Ų157139 Ų13984%0.8480%0.804SS**  trans-164.5135.5144.5-109.8-58.2000109.2
210S26.3Very low30.1Very low109 Ų109136.8 Ų136.876%0.76280%0.802SS**  trans-159.7154.8-177.2-123.50000108.2
211P36.8Very low30.1Very low108 Ų108136.1 Ų136.170%0.70180%0.797SS**  -133.7161.5-104.936.4-19.8000116.2
212H25.7Very low30.4Very low185 Ų185139.7 Ų139.786%0.85680%0.802SS**  trans-139.9131.6167.8-69-77.8000106.7
213S25.8Very low30.2Very low98 Ų98134.4 Ų134.469%0.68580%0.8SS**  cis-153.1158.58.1-64.70000113.3
214S28.5Very low30.4Very low114 Ų114131.1 Ų131.180%0.79780%0.801SS**  trans42125.8140.264.40000123.3
215E23.2Very low31.8Very low192 Ų192129.3 Ų129.390%0.89780%0.798SS**  trans-139.4157.6141.4-133.6171.274.700106.8
216A28.2Very low33.2Very low77 Ų77128.4 Ų128.464%0.63679%0.789SS**  cis-157.4145.821.800000116.6
217M32.3Very low33.8Very low158 Ų158131.5 Ų131.578%0.77879%0.794SS**  trans64.2164133.4-68.3-62.5-85.800121.1
218P48.4Very low34.4Very low125 Ų125131.2 Ų131.281%0.81279%0.791SS**  cis-128.8167.25.541.1-26.2000117.2
219G25.4Very low35.7Very low62 Ų62125.1 Ų125.164%0.63979%0.785SS**  trans172.463.4169.600000122.1
220S29.2Very low36.5Very low115 Ų115121.4 Ų121.480%0.80478%0.783SS**  trans39.6127.2148.559.20000125.7
221S29Very low37.4Very low109 Ų109125.8 Ų125.876%0.76279%0.792SS**  trans88.2109.5135.9-72.80000125.8
222L38.7Very low37.5Very low171 Ų171124.3 Ų124.390%0.89579%0.789SS**  55.1122.7126.3-57175.6000124.2
223G30.1Very low37.8Very low81 Ų81125.3 Ų125.384%0.83579%0.791SS**  trans105135.7134.900000119.9
224S34.9Very low39Very low121 Ų121125.9 Ų125.985%0.84679%0.793SS**  trans-120.1178.8-178.4-34.40000112.3
225P61.7Low38.7Very low118 Ų118127.4 Ų127.477%0.76680%0.797SS**  cis-125.9-125.8-9.236.1-12.1000110.6
226P57.7Low39Very low104 Ų104123.1 Ų123.168%0.67579%0.788SS**  cis-135.9162.5-35.436.4-17.1000118.4
227T43.2Very low39Very low141 Ų141127.6 Ų127.687%0.86580%0.796SS**  trans63.4154.2152.9-44.10000121.2
228I42.3Very low39Very low155 Ų155127.2 Ų127.280%0.79579%0.792SS**  trans-153.3164.1-153.6-95.3165.5000109.5
229P54.1Low38.2Very low128 Ų128128.4 Ų128.483%0.83179%0.786SS**  cis-139.9-163.922.445.3-25.6000117.8
230G46.1Very low38.5Very low78 Ų78134.2 Ų134.280%0.80480%0.796SS**  trans163.6146.6160.900000116
231E44.1Very low38.5Very low201 Ų201137.5 Ų137.594%0.93980%0.799SS**  trans-96.6160.1-166.5-68-175.792.600119.1
232A39.4Very low38.5Very low78 Ų78137.8 Ų137.865%0.64580%0.801SS**  trans83.585.414500000124.2
233F32.6Very low38.1Very low205 Ų205137 Ų13790%0.89980%0.797SS**  trans56.7151.6138.4-53.4-67.1000123
234P49.1Very low38.7Very low111 Ų111139.9 Ų139.972%0.72179%0.793SS**  cis-134.8-165.2-26.437.3-17.2000113.7
235V23Very low38.7Very low146 Ų146140.9 Ų140.989%0.88579%0.794SS**  trans83.9157.1167.9178.10000116.8
236S28.6Very low37.2Very low101 Ų101139.3 Ų139.371%0.70679%0.791SS**  trans-102.4162.2-155-43.40000116.2
237E29.4Very low37.2Very low172 Ų172140.3 Ų140.380%0.80480%0.798SS**  trans82.1115.5141.9-142.4123.611500121.1
238H31.6Very low37.9Very low150 Ų150138.1 Ų138.169%0.69479%0.786SS**  trans75.5125.6146.8-108.3-82.4000122.3
239H31.2Very low37.4Very low149 Ų149138.1 Ų138.169%0.6979%0.787SS**  trans90.2133.7153.1-57.7119.3000123.3
240Q33.1Very low36.2Very low184 Ų184137.5 Ų137.586%0.8679%0.786SS**  trans80.6159.5143.7-75173.490.200121.7
241H28Very low36.8Very low184 Ų184139.2 Ų139.285%0.85278%0.783SS**  trans-112.2149.4-176.7-61.8-117.4000111.2
242S30.4Very low36.3Very low115 Ų115136.3 Ų136.380%0.80478%0.779SS**  trans149.3105131.7-64.70000115.8
243D30.4Very low35.7Very low155 Ų155135.6 Ų135.683%0.82978%0.78SS**  58.7157.1120.2-137.2-16.7000124.9
244L41.3Very low35.6Very low141 Ų141135 Ų13574%0.73878%0.779SS**  trans96.5120.1156.9-55.4-177.9000123.9
245T35.9Very low34.7Very low143 Ų143138 Ų13888%0.87778%0.783SS**  trans103.9144.1142.7-23.20000120.8
246A29.5Very low36.1Very low85 Ų85135.6 Ų135.670%0.70277%0.771SS**  trans-154.1-164.6-175.500000109.6
247P57.7Low36.4Very low125 Ų125139 Ų13981%0.81278%0.776SS**  cis-110.1-99.7-17.529.8-7.9000112.5
248P57.9Low37.3Very low94 Ų94137 Ų13761%0.6178%0.777SS**  cis-133.5178.4-5.644-26.1000118.2
249N31.8Very low37.2Very low156 Ų156134 Ų13483%0.83478%0.778SS**  trans78156.1152.4-66.7-20.6000122.5
250S29.4Very low37.1Very low114 Ų114132.3 Ų132.380%0.79778%0.783SS**  trans-147.3-141.3-153.9-550000114.2
251P57.9Low36.8Very low114 Ų114131.6 Ų131.674%0.7479%0.785SS**  -124-148.1-99.140.5-22000114.3
252T34.1Very low36.8Very low140 Ų140130.3 Ų130.386%0.85978%0.782SS**  trans97144.1170-37.90000114.9
253G28Very low37.8Very low64 Ų64128.9 Ų128.966%0.6677%0.77SS**  cis178.2-165.2-4.700000115.3
254H29.8Very low37.6Very low192 Ų192127.2 Ų127.289%0.88977%0.771SS**  trans-60.6160.4-169.9-46-101.3000118.2
255H30.1Very low37.2Very low175 Ų175128.1 Ų128.181%0.8177%0.771SS**  162157.6114.8-161.6-99.5000113.7
256P51.4Low37.9Very low95 Ų95127.2 Ų127.262%0.61777%0.767SS**  trans-95.7-179.1178-5.927.2000117.1
257Q35.4Very low37.8Very low173 Ų173128.5 Ų128.581%0.80877%0.772SS**  trans-11139.3161.2-61.3-71.2-1400117.4
258P48Very low36.6Very low128 Ų128127.1 Ų127.183%0.83177%0.765SS**  -149.2-161.88141.3-21.8000116.2
259A31Very low35.2Very low88 Ų88132 Ų13273%0.72778%0.777SS**  trans-107.7-172.6-158.100000117.1
260S28.5Very low35Very low113 Ų113127.8 Ų127.879%0.7977%0.77SS**  trans100.4146.5-179.7-42.30000113.4
261L26.4Very low35Very low170 Ų170128.2 Ų128.289%0.8977%0.773SS**  cis-134.7176.319.5-76.7163.8000114.1
262I27.3Very low34.7Very low156 Ų156128.5 Ų128.580%0.878%0.775SS**  trans-115.4-172.7176.49170.1000109.3
263P51.2Low35Very low85 Ų85127.4 Ų127.455%0.55277%0.77SS**  cis-134-179-24.235.2-17.4000113.8
264S26.3Very low35.7Very low121 Ų121132.9 Ų132.985%0.84678%0.778SS**  trans-159.8142.1132.7-83.70000111.1
265H33.9Very low37Very low160 Ų160128.4 Ų128.474%0.74177%0.766SS**  trans-116.1170.7-179.1-37.8-76.7000109.8
266P49.4Very low36.9Very low123 Ų123127.5 Ų127.580%0.79976%0.762SS**  -150153.5102.837.7-22.3000116.4
267S28.9Very low35.7Very low113 Ų113129.4 Ų129.479%0.7977%0.766SS**  trans65.9149.4162.9-120.10000117.7
268S32Very low35.4Very low96 Ų96128.7 Ų128.767%0.67177%0.767SS**  cis-141.1157.32.2-165.80000112
269F27.3Very low35.5Very low197 Ų197127.5 Ų127.586%0.86476%0.76SS**  trans-41.2144.8175.2-53.9-101.6000114.7
270G27.6Very low35.3Very low67 Ų67130 Ų13069%0.69177%0.766SS**  cis113.8118.8-5.400000115.1
271S30.3Very low35.6Very low122 Ų122129.9 Ų129.985%0.85376%0.76SS**  trans-163.7138.8154.2-81.70000112.7
272P51.1Low36.3Very low120 Ų120127.7 Ų127.778%0.77976%0.757SS**  trans-96-161174.744.5-39.3000110.2
273P41.4Very low36.3Very low118 Ų118124.4 Ų124.477%0.76675%0.753SS**  cis-140.4-171.12.339.1-16.4000116.9
274H41.7Very low35.5Very low178 Ų178124.5 Ų124.582%0.82476%0.761SS**  trans-67.8172.1152.7-57.4-79.7000110.9
275P57.8Low36.1Very low99 Ų99123.3 Ų123.364%0.64375%0.75SS**  cis-133.1-156.57.243.2-24.4000112.9
276H27.6Very low35.8Very low156 Ų156124.9 Ų124.972%0.72276%0.755SS**  trans161.8125.4134-83.2-61.2000111.5
277L27.3Very low35.3Very low135 Ų135124.2 Ų124.271%0.70775%0.751SS**  56.7107.4107.5-53.6-178.8000115
278L28.1Very low35.2Very low158 Ų158123 Ų12383%0.82775%0.748SS**  112.2158.275.7-90.5-179.4000109.5
279P50.2Low35.1Very low103 Ų103127.8 Ų127.867%0.66976%0.76SS**  trans-110.1170.8-163.841.5-35.1000114.7
280T27.7Very low35.1Very low140 Ų140122.7 Ų122.786%0.85975%0.754SS**  trans-130.698.8161.2-51.30000110.9
281T33.9Very low35.2Very low110 Ų110125.1 Ų125.168%0.67576%0.76SS**  trans-66.7155.2162.2-18.50000109.8
282P42.4Very low35.1Very low125 Ų125127 Ų12781%0.81276%0.756SS**  -144156.392.636.2-21.3000113.9
283A26.4Very low33.8Very low87 Ų87126.6 Ų126.672%0.71975%0.754SS**  cis-157.3160.3-16.200000109.5
284A33.3Very low34.4Very low87 Ų87126.7 Ų126.772%0.71976%0.755SS**  trans-84.1-167.9165.500000109.1
285P40.2Very low33.6Very low96 Ų96125.4 Ų125.462%0.62376%0.759SS**  cis-142.6161.619.727.1-0.4000118.4
286F27.4Very low32.3Very low192 Ų192125.1 Ų125.184%0.84277%0.765SS**  164.3154.6109-90-66.5000112.9
287P39.9Very low32.3Very low109 Ų109122.6 Ų122.671%0.70877%0.771SS**  trans-132.3164.5-170.543.6-28.7000118.3
288A26.1Very low32.4Very low88 Ų88120.4 Ų120.473%0.72777%0.772SS**  trans73.6155.7142.100000123.4
289Q30.1Very low32.3Very low197 Ų197119.4 Ų119.492%0.92177%0.773SS**  trans76.2144.7167.9-46.8-16363.900116.6
290A26Very low31.3Very low90 Ų90118.5 Ų118.574%0.74477%0.774SS**  cis-139173.6-3.400000109.6
291S30.2Very low31.9Very low117 Ų117116.7 Ų116.782%0.81877%0.765SS**  -166153.665.5-177.60000114
292E27.8Very low31.7Very low163 Ų163119.4 Ų119.476%0.76277%0.77SS**  trans-69.5176.7166.9-68.9151.585.500113.2
293C24.8Very low31.3Very low111 Ų111119.7 Ų119.775%0.7577%0.769SS**  cis178.7-158.6-23-89.20000106.6
294P53.1Low32Very low120 Ų120121.5 Ų121.578%0.77977%0.774SS**  cis-127.4170.4-34.820.71.5000114.4
295V25.6Very low31.7Very low151 Ų151120.8 Ų120.892%0.91578%0.775SS**  trans-174.9151.1141.6134.50000110.7
296A29.8Very low32Very low92 Ų92121.9 Ų121.976%0.7678%0.782SS**  trans-161.9166.917600000113.8
297A28.1Very low31.8Very low104 Ų104118.2 Ų118.286%0.8678%0.779SS**  trans67.1149.1172.100000116.3
298A29.1Very low31.2Very low88 Ų88121.6 Ų121.673%0.72779%0.785SS**  cis-178.8160.6-13.100000103.6
299T25.8Very low31.4Very low138 Ų138121.7 Ų121.785%0.84778%0.78SS**  -171.916256-46.50000109.1
300A30.2Very low31.1Very low84 Ų84118.3 Ų118.369%0.69478%0.778SS**  trans-77-177.6169.800000111.4
301P40.2Very low31.3Very low101 Ų101121.5 Ų121.566%0.65678%0.778SS**  cis-147.7-163.917.140.2-15.8000117.6
302H29.5Very low31.2Very low168 Ų168123.2 Ų123.278%0.77878%0.777SS**  trans75.7124.6157.669.1-112.1000122.1
303T34Very low32Very low131 Ų131120.8 Ų120.880%0.80478%0.775SS**  trans-93.6160.1154.658.60000108.4
304P40.1Very low32Very low125 Ų125120.4 Ų120.481%0.81277%0.774SS**  -154.8169.979.741.2-22000117.2
305G27.3Very low30.9Very low72 Ų72120.8 Ų120.874%0.74277%0.774SS**  trans104.2160.314600000117.9
306P46.3Very low31.1Very low119 Ų119118.2 Ų118.277%0.77376%0.763SS**  trans-135.3-177.5-155.642.4-23.7000116.8
307C24.2Very low31.2Very low115 Ų115121.2 Ų121.278%0.77776%0.763SS**  trans79.7167.7156.7-63.70000119.8
308Q26.6Very low31.9Very low180 Ų180122 Ų12284%0.84176%0.759SS**  trans8796.5171.5-52.9-62.410.600119.7
309S30.1Very low32Very low89 Ų89124.3 Ų124.362%0.62276%0.759SS**  trans-25.6146.4137.1175.90000116.1
310S24.3Very low32.4Very low126 Ų126124.5 Ų124.588%0.88175%0.753SS**  -162.7157.1129.4-88.90000115.1
311H29.9Very low32.3Very low158 Ų158129.3 Ų129.373%0.73176%0.759SS**  trans-90.2154.9-169.7-97.5-113.5000115.1
312L29.4Very low32.1Very low153 Ų153131.5 Ų131.580%0.80176%0.762SS**  trans66.6175.8145-67.2168000118
313P43.3Very low32.3Very low111 Ų111129 Ų12972%0.72176%0.761SS**  cis-130.8-164.8-13.621.83.6000114.5
314S25.9Very low33.2Very low104 Ų104128.3 Ų128.373%0.72776%0.758SS**  trans90.5124.8152-94.30000119.7
315T29.2Very low34Very low127 Ų127126.6 Ų126.678%0.77975%0.747SS**  92.4128.466.2-63.70000110.3
316S30.6Very low34.2Very low98 Ų98133.1 Ų133.169%0.68576%0.756SS**  cis-166.5164.52.951.90000112.6
317M31.3Very low33.6Very low155 Ų155132.5 Ų132.576%0.76475%0.754SS**  trans35.2152.4135.7-62.7-58.8148.100121.8L319M317-L319 HydrophobicContact SD-CB 4.35Å
318P42.3Very low33.9Very low119 Ų119130.7 Ų130.777%0.77376%0.755SS**  cis-121.116824.941.4-28.2000114.3
319L31.6Very low34.2Very low138 Ų138128.4 Ų128.472%0.72376%0.758SS**  cis87.2138.826.7-162.675.1000116.1M317M317-L319 HydrophobicContact SD-CB 4.35Å
320L33.5Very low34.2Very low141 Ų141129.5 Ų129.574%0.73877%0.765SS**  trans112.4136.2163.9-58.9176.8000114.1
321K29.1Very low34.7Very low185 Ų185132.1 Ų132.180%0.80476%0.763SS**  cis-146.7147.34.1-170.576.1178.6-173.60111.4
322M36Very low35.7Very low148 Ų148130.2 Ų130.273%0.72977%0.765SS**  trans-83.9169.2172.7-66-72.5-70.400113.3
323P34.3Very low35.7Very low115 Ų115129.5 Ų129.575%0.74777%0.771SS**  -110.1155.6126.433.2-32.7000112.8
324P51.8Low35.3Very low116 Ų116130.1 Ų130.175%0.75378%0.778SS**  trans-112.5171.8-151.440.9-32.7000116.6
325P56.6Low35.5Very low90 Ų90128.4 Ų128.458%0.58478%0.777SS**  trans-115.8179.9-173.643.8-34.5000114.8
326F31.7Very low36Very low208 Ų208131.2 Ų131.291%0.91278%0.781SS**  trans-134.1123.2144.6-61.8-78.1000107.3
327S34.8Very low36.1Very low106 Ų106132.8 Ų132.874%0.74179%0.79SS**  cis92104.938.2-63.40000113
328G28.8Very low36.1Very low78 Ų78128.6 Ų128.680%0.80479%0.786SS**  trans175.6119.2173.300000112.4
329C33.4Very low35.7Very low132 Ų132131.4 Ų131.489%0.89279%0.789SS**  trans-80.9176.5168.8-45.30000109.3
330S30.1Very low35.9Very low111 Ų111132.5 Ų132.578%0.77679%0.791SS**  cis-159.4165.710.946.80000110.1
331H36Very low35.7Very low181 Ų181132.3 Ų132.384%0.83880%0.8SS**  trans-68.4168.4162.4-55.2-85.6000111.6
332P50Low35.9Very low118 Ų118128.9 Ų128.977%0.76680%0.799SS**  cis-122.7169-2238.6-25.8000112.9
333C30.2Very low35.7Very low138 Ų138125.5 Ų125.593%0.93280%0.802SS**  trans-161.9158.2154.3-118.60000113.6
334S33.1Very low36.6Very low125 Ų125125.6 Ų125.687%0.87480%0.802SS**  trans-96.6166.6-175.5-45.60000113.1
335G31.8Very low35.4Very low68 Ų68127.7 Ų127.770%0.70181%0.806SS**  trans120.9102.5144.900000118.3
336H38Very low34.4Very low186 Ų186131.2 Ų131.286%0.86182%0.819SS**  trans43.5149.1133.1-91.5-110.1000124.1
337C33.5Very low35.6Very low131 Ų131126.7 Ų126.789%0.88581%0.811SS**  trans57.9161.4162.779.50000117.8
338G31.1Very low36.4Very low66 Ų66127 Ų12768%0.6881%0.811SS**  cis164.3118-11.600000112.5
339E33.3Very low37.4Very low178 Ų178128.9 Ų128.983%0.83281%0.809SS**  trans62.8128.5158.7-66.6-176.671.500122.7
340H37Very low37.2Very low162 Ų162127.9 Ų127.975%0.7580%0.803SS**  trans43.7118139.8-64.7-65.6000123.7
341C28.8Very low37.2Very low137 Ų137127.8 Ų127.893%0.92680%0.802SS**  -159167.8124-107.10000112.5
342S33.2Very low37.2Very low113 Ų113127.8 Ų127.879%0.7980%0.803SS**  trans-135.4137.6-154.2-53.30000116.9
343G31.7Very low37.3Very low77 Ų77127.2 Ų127.279%0.79480%0.799SS**  trans68.3-167.8156.300000117.5
344P53.4Low38.7Very low116 Ų116125.9 Ų125.975%0.75379%0.788SS**  cis-134.7-176.1-5.536.5-16.6000115.2
345L27.7Very low39.6Very low161 Ų161125.6 Ų125.684%0.84378%0.784SS**  trans148.5151.5134.8-74.6179000116.2
346L33.8Very low39.4Very low163 Ų163127.3 Ų127.385%0.85379%0.785SS**  trans-156-173.8-171.5-79.6-178000108.9
347P57.8Low39Very low113 Ų113124.9 Ų124.973%0.73478%0.784SS**  cis-113.2-98.5-3.621.14.8000114.9
348P51.1Low39.2Very low114 Ų114126 Ų12674%0.7478%0.775SS**  cis-116.8-140.38.949.3-33.4000113.1
349P49.8Very low39.1Very low117 Ų117133.4 Ų133.476%0.7678%0.783SS**  trans-136.2171.3-132.438.6-14.6000121.8
350S30.2Very low39Very low110 Ų110130.4 Ų130.477%0.76977%0.772SS**  trans79.9144.6158.9-143.40000118.3
351S29.7Very low39.8Very low109 Ų109128.2 Ų128.276%0.76277%0.773SS**  cis-141.4-175.318.4-59.20000114.7
352Q35.1Very low39.8Very low181 Ų181125 Ų12585%0.84676%0.762SS**  trans-156.5-176.1-164.8-116.7-160.8-3.700111.1
353P53.6Low39.6Very low107 Ų107125.8 Ų125.870%0.69577%0.767SS**  cis-136.4-127.1-25.241.1-17.6000113.8
354P59.5Low39.6Very low109 Ų109132.5 Ų132.571%0.70877%0.774SS**  trans-129.3-153.1-145.337.7-8.9000114.8
355P52Low38.5Very low120 Ų120130.3 Ų130.378%0.77977%0.772SS**  -138.3-158.585.842.5-27.2000111.6
356S27.1Very low38.9Very low103 Ų103130.2 Ų130.272%0.7277%0.767SS**  cis-165-177.810.360.20000107.7
357T30Very low38.7Very low136 Ų136131.4 Ų131.483%0.83477%0.765SS**  cis-154.9172-4.8-24.70000109.2
358H37.3Very low37.5Very low154 Ų154133.6 Ų133.671%0.71376%0.763SS**  trans-155.9150.1167.6164.2-84000111.1D360H358-D360 IonicContact CE1-OD2 3.56Å
359R29.7Very low36.5Very low222 Ų222132.5 Ų132.584%0.83876%0.764SS**  trans-176.8130.3157.3-105.3-170.7172.2-154.8-6.7111.2
360D30.3Very low35.8Very low114 Ų114134.3 Ų134.361%0.6176%0.762SS**  73.5158.184.9-85.5-117.5000115.8H358H358-D360 IonicContact CE1-OD2 3.56Å
361P54Low35.8Very low117 Ų117133.8 Ų133.876%0.7676%0.758SS**  cis-140.2176.5-26.837.5-18.9000115.6
362G28.9Very low35.8Very low68 Ų68132 Ų13270%0.70176%0.757SS**  85.5109.8128.300000124.6
363C28.6Very low35.7Very low131 Ų131131.3 Ų131.389%0.88576%0.758SS**  trans70.6141.7132.1-64.20000125.6
364K32.8Very low34.5Very low218 Ų218130.2 Ų130.295%0.94876%0.758SS**  trans66.7134.9157.9-75-174.7173.7-178.30120.3
365G29.6Very low33Very low69 Ų69130.8 Ų130.871%0.71176%0.763SS**  trans156.527.7142.900000125.9
366H35.4Very low31.9Very low160 Ų160132.4 Ų132.474%0.74176%0.761SS**  trans53.2119.9149.9-137.3-110.3000122.2
367K30.7Very low32.1Very low188 Ų188134 Ų13482%0.81776%0.76SS**  -177.3153.1110.757.1-165.1126.6-66.30113
368F31.1Very low32.6Very low158 Ų158132.7 Ų132.769%0.69375%0.754SS**  trans-83.2170.3-171.8-91.8-112.2000113.6H370F368-H370 HydrophobicContact CD1-CB 3.71Å; F368-H370 HydrophobicContact CE1-CB 4.09Å; F368-H370 AromaticContact CE1-CD2 3.85Å; F368-H370 AromaticContact CE1-CG 3.97Å
369A30.9Very low32.3Very low91 Ų91134.1 Ų134.175%0.75276%0.761SS**  cis-143.4166.223.100000112.1
370H35.2Very low33.2Very low156 Ų156128.5 Ų128.572%0.72275%0.754SS**  cis79.4130.621.9-153-89.2000113.3F368F368-H370 HydrophobicContact CD1-CB 3.71Å; F368-H370 HydrophobicContact CE1-CB 4.09Å; F368-H370 AromaticContact CE1-CD2 3.85Å; F368-H370 AromaticContact CE1-CG 3.97Å
371S31.1Very low33Very low99 Ų99128.7 Ų128.769%0.69276%0.763SS**  cis-166.7172.8-2.147.30000108.7
372G29.8Very low32Very low71 Ų71131.6 Ų131.673%0.73277%0.766SS**  cis-121.6-134.5-3.600000110.8
373L32.7Very low32.5Very low166 Ų166132.7 Ų132.787%0.86977%0.769SS**  cis-134.1135.5-3.1-66.4164.5000106.2
374A28Very low32.8Very low85 Ų85133.7 Ų133.770%0.70277%0.765SS**  61127.761.900000113.3
375C27.5Very low33.1Very low120 Ų120131.9 Ų131.981%0.81176%0.76SS**  cis-162.7179.4-1.7-102.60000107.5
376Q28.3Very low33.4Very low155 Ų155131.5 Ų131.572%0.72476%0.756SS**  cis-159.6170.66.1-133.3-63.982.200109.3
377L32.3Very low33.4Very low136 Ų136133 Ų13371%0.71277%0.768SS**  trans-127.9132.7162.4172.469.1000111.5
378P40.7Very low33.8Very low109 Ų109126.9 Ų126.971%0.70876%0.759SS**  trans-116.3168.1153-2.424.7000114.3
379Q30Very low34.1Very low183 Ų183128.2 Ų128.286%0.85577%0.768SS**  trans-105.9176.6-173.4-110.4-157.9-72.600113.4
380P48.3Very low34.7Very low105 Ų105132.9 Ų132.968%0.68277%0.774SS**  trans-93.8179.8-168.240.3-39.3000114.8
381C26.6Very low35.2Very low118 Ų118134.5 Ų134.580%0.79778%0.782SS**  trans153.7149.1158.5-85.90000107.5
382E34.3Very low35.9Very low178 Ų178136.4 Ų136.483%0.83278%0.784SS**  cis-152.8-175.5-12.7-97.8-7078.500107.3
383A38.8Very low37Very low91 Ų91138.7 Ų138.775%0.75279%0.789SS**  trans-65.2158.6-17600000116.6
384D34.7Very low37.5Very low152 Ų152136 Ų13681%0.81378%0.784SS**  -156.3162117.5-142.520000113
385E38.3Very low38.1Very low179 Ų179137.7 Ų137.784%0.83679%0.791SS**  trans-69.7163.1179.753.4-163.74400114.8
386G35.6Very low38.6Very low62 Ų62141.2 Ų141.264%0.63980%0.795SS**  cis175.7-1741.400000110.6
387L36.9Very low39Very low190 Ų190145 Ų145100%0.99580%0.803SS**  trans67.5145.8-167.9-42.3172.9000112.8
388G38.3Very low39.1Very low61 Ų61144.2 Ų144.263%0.62981%0.809SS**  cis176.6162.5-4.500000109.9
389E37.1Very low39.1Very low185 Ų185144.1 Ų144.186%0.86481%0.811SS**  trans57.4150.6168.473.5-150.7129.200122.4
390E43.9Very low39.1Very low189 Ų189141.6 Ų141.688%0.88381%0.812SS**  trans57.2144.316966-168.5163.200123.7
391E46Very low38.4Very low191 Ų191142.2 Ų142.289%0.89381%0.814SS**  trans-108.4168.8-172.5-84.1162.422.100112.1
392D45.6Very low38.6Very low139 Ų139142.2 Ų142.274%0.74382%0.815SS**  trans56.1101.6167.7-165.122000118.6
393S52.4Low38.5Very low119 Ų119139.1 Ų139.183%0.83281%0.813SS**  trans-149.1124.5138.5-86.20000111.4
394S43.4Very low38.2Very low109 Ų109140.2 Ų140.276%0.76282%0.815SS**  trans-60.4143.3178.5-73.60000113
395S41Very low38.8Very low121 Ų121139.5 Ų139.585%0.84682%0.817SS**  trans-151116.9164.3-87.20000112.3R397S395-R397 PolarHBondContact O-N 3.46Å
396E38.3Very low38.7Very low193 Ų193139 Ų13990%0.90281%0.814SS**  trans-75.4111.7-174.1-57.6167.393.600112.2
397R36.3Very low39.4Very low235 Ų235142.5 Ų142.589%0.88781%0.814SS**  trans-162.6134.6162.1-101.7129.1169.8-94.6-3.2109.2S395S395-R397 PolarHBondContact O-N 3.46Å
398S33.9Very low39.9Very low119 Ų119142.4 Ų142.483%0.83280%0.8SS**  cis-140.8153.232.5-620000114.2
399S41.6Very low40Very low107 Ų107146 Ų14675%0.74881%0.805SS**  trans-77.2145.8178.6-390000113.2
400C29.1Very low40.6Very low130 Ų130140.3 Ų140.388%0.87880%0.796SS**  trans-102.288.9155.758.70000110.1
401T34.2Very low41.1Very low118 Ų118140.2 Ų140.272%0.72479%0.793SS**  trans-72.4127.2176.245.10000111.5
402S30.9Very low41.3Very low118 Ų118140.4 Ų140.483%0.82579%0.791SS**  trans-150.475.2166.7-80.30000110.5S404S402-S404 PolarHBondContact O-N 3.1Å
403S31.7Very low42Very low113 Ų113138 Ų13879%0.7978%0.784SS**  trans-70.893.1178.5-59.70000111.6
404S32.1Very low41.7Very low114 Ų114140.2 Ų140.280%0.79779%0.787SS**  trans-87.1103.3162.3-170.50000109.5S402 H406S402-S404 PolarHBondContact O-N 3.1Å; S404-H406 VanDerWaalsContact C-N 3.29Å; S404-H406 PolarHBondContact O-N 2.87Å
405T47.5Very low42.8Very low137 Ų137137 Ų13784%0.8476%0.764SS**  trans-79.275.3-179.2540000111.4
406H38Very low43.7Very low170 Ų170136.4 Ų136.479%0.78776%0.758SS**  trans-127.9123.6157.7-148.2-84000110.7S404S404-H406 VanDerWaalsContact C-N 3.29Å; S404-H406 PolarHBondContact O-N 2.87Å
407Q49.7Very low44.2Very low135 Ų135135.8 Ų135.863%0.63175%0.749SS**  trans-79.6171.8175.7-62.2-179.6700110.5
408R46.9Very low45.3Very low188 Ų188127.5 Ų127.571%0.70973%0.726SS**  trans78.4169.8-174.9-38.4-51.3163.5-123.3-18112.6
409D39.7Very low46.4Very low135 Ų135130 Ų13072%0.72273%0.725SS**  trans5965179.4-47.8-33000114.9K411D409-K411 WeakPolarHBondContact O-CD 3.49Å; D409-K411 WeakPolarHBondContact O-CE 3.31Å; D409-K411 PolarHBondContact O-N 3.44Å
410G50.3Low46.6Very low66 Ų66133.2 Ų133.268%0.6873%0.725SS**  trans-60.3118.316100000109.6
411K54.5Low47.8Very low188 Ų188133.9 Ų133.982%0.81771%0.714SS**  trans-86115.2-178.5-49.394.7-169.3-64.50108.1D409D409-K411 WeakPolarHBondContact O-CD 3.49Å; D409-K411 WeakPolarHBondContact O-CE 3.31Å; D409-K411 PolarHBondContact O-N 3.44Å
412F51.2Low48.4Very low194 Ų194130 Ų13085%0.85170%0.697SS**  trans-67.8138.8174-58.7-91.7000109.4
413C58.7Low49.4Very low89 Ų89131 Ų13160%0.60169%0.688SS**  trans-98.1100.4168.3-168.40000107.6C415C413-C415 HydrophobicContact CB-CB 4.36Å; C413-C415 WeakPolarHBondContact CB-SG 3.42Å; C413-C415 PolarHBondContact O-N 2.73Å; C413-C415 WeakPolarHBondContact SG-CB 3.37Å; C413-C415 CovalentContact SG-SG 2.05Å; C413-C415 PolarHBondContact SG-SG 3.44Å
414D47.1Very low50.3Low166 Ų166130.8 Ų130.889%0.88868%0.678SS**  trans-73.760.3171.1-76-13.8000109.5
415C66.6Low51.1Low42 Ų42129.2 Ų129.228%0.28467%0.672SS.*  trans-128.7105.9-172.660.30000108.8C413 Y417 C418C413-C415 HydrophobicContact CB-CB 4.36Å; C413-C415 WeakPolarHBondContact CB-SG 3.42Å; C413-C415 PolarHBondContact O-N 2.73Å; C413-C415 WeakPolarHBondContact SG-CB 3.37Å; C413-C415 CovalentContact SG-SG 2.05Å; C413-C415 PolarHBondContact SG-SG 3.44Å; C415-Y417 PolarHBondContact O-N 3.13Å; C415-C418 PolarHBondContact O-N 3.06Å; C415-C418 PolarHBondContact SG-SG 3.21Å
416C58.6Low51.2Low107 Ų107130.3 Ų130.372%0.72367%0.668SS**Hα-helixtrans-54.5-22.5-169-560000114.7C418 E419C416-C418 VanDerWaalsContact C-N 3.33Å; C416-C418 PolarHBondContact O-N 2.96Å; C416-E419 PolarHBondContact O-N 3.21Å
417Y49.2Very low51.9Low181 Ų181128 Ų12871%0.7166%0.656SS**Hα-helixtrans-66-32.3175.2-150-92.6000113.3C415 F421C415-Y417 PolarHBondContact O-N 3.13Å; Y417-F421 HydrophobicContact CD1-CD2 4.42Å; Y417-F421 HydrophobicContact CE1-CD2 4.03Å; Y417-F421 PolarHBondContact O-N 3.01Å
418C60.1Low52Low61 Ų61128 Ų12841%0.41266%0.655SS.*Hα-helixtrans-81.7-15.2178.8-720000113.8C415 C416 G422C415-C418 PolarHBondContact O-N 3.06Å; C415-C418 PolarHBondContact SG-SG 3.21Å; C416-C418 VanDerWaalsContact C-N 3.33Å; C416-C418 PolarHBondContact O-N 2.96Å; C418-G422 PolarHBondContact O-N 3.17Å
419E56.7Low52.2Low171 Ų171127.2 Ų127.280%0.79966%0.657SS**Hα-helixtrans-75.1-37.1173.4-169.1166-15700110.9C416C416-E419 PolarHBondContact O-N 3.21Å
420F46.4Very low52.9Low174 Ų174123.7 Ų123.776%0.76365%0.647SS**Hα-helixtrans-83.7-34-178.3-148.6-94.6000114.2
421F54.5Low53.3Low145 Ų145127.4 Ų127.464%0.63665%0.646SS**SBendtrans-109.413.1-178.6-69.7-77.3000115.1Y417Y417-F421 HydrophobicContact CD1-CD2 4.42Å; Y417-F421 HydrophobicContact CE1-CD2 4.03Å; Y417-F421 PolarHBondContact O-N 3.01Å
422G45.4Very low53.6Low35 Ų35124.1 Ų124.136%0.36164%0.637SS.*  trans50.174.1145.500000120.6C418 N424C418-G422 PolarHBondContact O-N 3.17Å; G422-N424 PolarHBondContact O-N 3.35Å
423H52.3Low54Low139 Ų139117.9 Ų117.964%0.64462%0.621SS**THydrogen-bonded Turntrans-71.746.6163.1-79.9-65.3000113.7K427H423-K427 PolarHBondContact O-NZ 2.94Å
424N51.8Low54.2Low109 Ų109115.6 Ų115.658%0.58361%0.609SS**THydrogen-bonded Turntrans-107.6-32.1-176.3-70.9-35000113.9G422 E426 K427 E428G422-N424 PolarHBondContact O-N 3.35Å; N424-E426 VanDerWaalsContact C-N 3.31Å; N424-E426 PolarHBondContact O-N 2.87Å; N424-K427 PolarHBondContact O-N 3.01Å; N424-E428 PolarHBondContact O-N 3.26Å; N424-E428 VanDerWaalsContact O-N 3.15Å
425A48.8Very low54.8Low82 Ų82112.6 Ų112.668%0.67859%0.589SS**Hα-helixtrans-54.1-40.6-17500000114.1
426E48.4Very low54.7Low160 Ų160113.3 Ų113.375%0.74860%0.599SS**Hα-helixtrans-74.6-33.5179.5-57.8-173.9135.800113N424 A430N424-E426 VanDerWaalsContact C-N 3.31Å; N424-E426 PolarHBondContact O-N 2.87Å; E426-A430 PolarHBondContact O-N 3.33Å
427K52.3Low54.9Low122 Ų122114.2 Ų114.253%0.5360%0.595SS.*Hα-helixtrans-72.7-40.1-177.1-61.5-162.3-172.583.90111.4H423 N424 A430 Q431H423-K427 PolarHBondContact O-NZ 2.94Å; N424-K427 PolarHBondContact O-N 3.01Å; K427-A430 PolarHBondContact O-N 3.27Å; K427-Q431 VanDerWaalsContact O-CB 3.26Å; K427-Q431 WeakPolarHBondContact O-CB 3.49Å; K427-Q431 PolarHBondContact O-N 3.48Å
428E52.9Low55.6Low133 Ų133112 Ų11262%0.62159%0.59SS**Hα-helixtrans-63.6-45.3-178.9-169169.2-169.500111.6N424 A430 Q431 L432N424-E428 PolarHBondContact O-N 3.26Å; N424-E428 VanDerWaalsContact O-N 3.15Å; E428-A430 VanDerWaalsContact C-N 3.34Å; E428-A430 PolarHBondContact O-N 3.09Å; E428-Q431 PolarHBondContact O-N 3.41Å; E428-Q431 VanDerWaalsContact O-N 3.12Å; E428-L432 WeakPolarHBondContact O-CB 3.45Å; E428-L432 PolarHBondContact O-N 3Å
429K49.7Very low55.5Low172 Ų172114.5 Ų114.575%0.74860%0.595SS**Hα-helixtrans-59.5-42.1174.6-169.3174.6-176.61760112.4A433K429-A433 WeakPolarHBondContact O-CB 3.39Å; K429-A433 PolarHBondContact O-N 2.98Å
430A55.2Low55.3Low61 Ų61109.4 Ų109.450%0.50458%0.583SS.*Hα-helixtrans-67.5-35.9175.300000112.6E426 K427 E428 A434E426-A430 PolarHBondContact O-N 3.33Å; K427-A430 PolarHBondContact O-N 3.27Å; E428-A430 VanDerWaalsContact C-N 3.34Å; E428-A430 PolarHBondContact O-N 3.09Å; A430-A434 WeakPolarHBondContact O-CB 3.24Å; A430-A434 PolarHBondContact O-N 3.42Å
431Q57.8Low55.5Low144 Ų144107.1 Ų107.167%0.67358%0.578SS**Hα-helixtrans-72.2-41.6179.6-171161.1-35.100111.8K427 E428 A434 E435K427-Q431 VanDerWaalsContact O-CB 3.26Å; K427-Q431 WeakPolarHBondContact O-CB 3.49Å; K427-Q431 PolarHBondContact O-N 3.48Å; E428-Q431 PolarHBondContact O-N 3.41Å; E428-Q431 VanDerWaalsContact O-N 3.12Å; Q431-A434 PolarHBondContact O-N 3.38Å; Q431-E435 WeakPolarHBondContact O-CB 3.43Å; Q431-E435 PolarHBondContact O-N 2.82Å
432L60.9Low55.4Low120 Ų120109.4 Ų109.463%0.62858%0.583SS**Hα-helixtrans-63.5-44.5172.2-111.2162000112E428 E435 A436E428-L432 WeakPolarHBondContact O-CB 3.45Å; E428-L432 PolarHBondContact O-N 3Å; L432-E435 PolarHBondContact O-N 2.76Å; L432-A436 PolarHBondContact O-N 3.42Å
433A60.8Low55.5Low62 Ų62114 Ų11451%0.51260%0.604SS.*Hα-helixtrans-62.9-42.6174.800000112.2K429 E435 A436 L437K429-A433 WeakPolarHBondContact O-CB 3.39Å; K429-A433 PolarHBondContact O-N 2.98Å; A433-E435 VanDerWaalsContact C-N 3.27Å; A433-E435 PolarHBondContact O-N 3.33Å; A433-A436 PolarHBondContact O-N 3.24Å; A433-L437 PolarHBondContact O-N 3.45Å; A433-L437 VanDerWaalsContact O-N 3.12Å
434A63.2Low55.3Low41 Ų41112.9 Ų112.934%0.33961%0.611SS.*Hα-helixtrans-69.3-22.3175.400000113.2A430 Q431 K438A430-A434 WeakPolarHBondContact O-CB 3.24Å; A430-A434 PolarHBondContact O-N 3.42Å; Q431-A434 PolarHBondContact O-N 3.38Å; A434-K438 WeakPolarHBondContact O-CD 3.24Å; A434-K438 WeakPolarHBondContact O-CE 3.46Å; A434-K438 WeakPolarHBondContact O-CG 3.44Å; A434-K438 PolarHBondContact O-N 3.29Å
435E59.7Low54.6Low103 Ų103110.5 Ų110.548%0.48161%0.613SS.*Hα-helixtrans-81.7-44.7171.5-174.2161.8148.500112.1Q431 L432 A433 L437 K438 Q439Q431-E435 WeakPolarHBondContact O-CB 3.43Å; Q431-E435 PolarHBondContact O-N 2.82Å; L432-E435 PolarHBondContact O-N 2.76Å; A433-E435 VanDerWaalsContact C-N 3.27Å; A433-E435 PolarHBondContact O-N 3.33Å; E435-L437 PolarHBondContact O-N 3.38Å; E435-K438 CarbonylContact O-C 3.57Å; E435-K438 WeakPolarHBondContact O-CA 3.33Å; E435-K438 WeakPolarHBondContact O-CB 3.37Å; E435-K438 PolarHBondContact O-N 2.86Å; E435-Q439 HydrophobicContact CG-CG 4.14Å; E435-Q439 WeakPolarHBondContact O-CG 3.13Å; E435-Q439 PolarHBondContact O-N 3.45Å; E435-Q439 PolarHBondContact OE1-NE2 3.12Å
436A64.2Low54Low58 Ų58112 Ų11248%0.47962%0.618SS.*Hα-helixtrans-53.9-42.6174.400000111.6L432 A433 K438 Q439 A440L432-A436 PolarHBondContact O-N 3.42Å; A433-A436 PolarHBondContact O-N 3.24Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3.02Å; A436-Q439 PolarHBondContact O-N 3.48Å; A436-A440 PolarHBondContact O-N 3.06Å
437L62.5Low54Low125 Ų125115.5 Ų115.565%0.65462%0.624SS**Hα-helixtrans-64-34.7174.7-166.469.4000113A433 E435 N441A433-L437 PolarHBondContact O-N 3.45Å; A433-L437 VanDerWaalsContact O-N 3.12Å; E435-L437 PolarHBondContact O-N 3.38Å; L437-N441 PolarHBondContact O-N 2.97Å; L437-N441 VanDerWaalsContact O-N 3.16Å
438K63.3Low53.2Low135 Ų135117.7 Ų117.759%0.58764%0.636SS**Hα-helixtrans-74.9-35175-72.7164.9-167.1157.20112.5A434 E435 A436 N441 R442A434-K438 WeakPolarHBondContact O-CD 3.24Å; A434-K438 WeakPolarHBondContact O-CE 3.46Å; A434-K438 WeakPolarHBondContact O-CG 3.44Å; A434-K438 PolarHBondContact O-N 3.29Å; E435-K438 CarbonylContact O-C 3.57Å; E435-K438 WeakPolarHBondContact O-CA 3.33Å; E435-K438 WeakPolarHBondContact O-CB 3.37Å; E435-K438 PolarHBondContact O-N 2.86Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-K438 PolarHBondContact O-N 3.02Å; K438-N441 PolarHBondContact O-N 3.04Å; K438-R442 WeakPolarHBondContact O-CG 3.34Å; K438-R442 PolarHBondContact O-N 3.23Å; K438-R442 VanDerWaalsContact O-N 3.1Å
439Q57.6Low52.8Low113 Ų113118.9 Ų118.953%0.52864%0.642SS.*Hα-helixtrans-66.1-44.6174.4-68.3-174.212.100110.1E435 A436 N441 R442E435-Q439 HydrophobicContact CG-CG 4.14Å; E435-Q439 WeakPolarHBondContact O-CG 3.13Å; E435-Q439 PolarHBondContact O-N 3.45Å; E435-Q439 PolarHBondContact OE1-NE2 3.12Å; A436-Q439 PolarHBondContact O-N 3.48Å; Q439-N441 VanDerWaalsContact C-N 3.33Å; Q439-N441 PolarHBondContact O-N 3.36Å; Q439-R442 PolarHBondContact O-N 3.26Å; Q439-R442 VanDerWaalsContact O-N 3.11Å
440A54.1Low52Low65 Ų65120.5 Ų120.554%0.53764%0.644SS.*Hα-helixtrans-56.8-43.3172.200000112.5A436 R442 V443A436-A440 PolarHBondContact O-N 3.06Å; A440-R442 VanDerWaalsContact C-N 3.31Å; A440-R442 PolarHBondContact O-N 2.84Å; A440-V443 PolarHBondContact O-N 3.11Å
441N50.7Low51.6Low126 Ų126122.6 Ų122.667%0.67465%0.652SS**Hα-helixtrans-67.1-26.8177.5-121.1-99.4000113.7L437 K438 Q439 V443 S444L437-N441 PolarHBondContact O-N 2.97Å; L437-N441 VanDerWaalsContact O-N 3.16Å; K438-N441 PolarHBondContact O-N 3.04Å; Q439-N441 VanDerWaalsContact C-N 3.33Å; Q439-N441 PolarHBondContact O-N 3.36Å; N441-V443 VanDerWaalsContact C-N 3.29Å; N441-V443 PolarHBondContact O-N 2.78Å; N441-S444 PolarHBondContact O-N 2.88Å
442R51.3Low50.7Low193 Ų193120.4 Ų120.473%0.72866%0.659SS**Hα-helixtrans-72.5-16.1177-80.6-176177.2-178.94.4114.5K438 Q439 A440 S444K438-R442 WeakPolarHBondContact O-CG 3.34Å; K438-R442 PolarHBondContact O-N 3.23Å; K438-R442 VanDerWaalsContact O-N 3.1Å; Q439-R442 PolarHBondContact O-N 3.26Å; Q439-R442 VanDerWaalsContact O-N 3.11Å; A440-R442 VanDerWaalsContact C-N 3.31Å; A440-R442 PolarHBondContact O-N 2.84Å; R442-S444 PolarHBondContact O-N 2.85Å
443V47.9Very low49.9Very low132 Ų132122.2 Ų122.280%0.866%0.657SS**THydrogen-bonded Turntrans-71.5-18.7177.9-179.30000111.9A440 N441A440-V443 PolarHBondContact O-N 3.11Å; N441-V443 VanDerWaalsContact C-N 3.29Å; N441-V443 PolarHBondContact O-N 2.78Å
444S47.6Very low49.1Very low115 Ų115126.9 Ų126.980%0.80467%0.668SS**THydrogen-bonded Turntrans-122.643.7-174.5-170.40000113.7N441 R442N441-S444 PolarHBondContact O-N 2.88Å; R442-S444 PolarHBondContact O-N 2.85Å
445G37.2Very low48.2Very low59 Ų59133.7 Ų133.761%0.60869%0.685SS**SBendtrans-167.8115.1179.200000115.4
446S37.6Very low47.4Very low114 Ų114136.2 Ų136.280%0.79770%0.701SS**  trans-4.4129.5173.9-163.10000120.2E448S446-E448 PolarHBondContact O-N 2.95Å
447R47.1Very low46.7Very low232 Ų232139.6 Ų139.688%0.87571%0.71SS**  trans-47116.6160.4175.4-170.5-173.9-175.93.6112
448E36.3Very low45.8Very low168 Ų168137.1 Ų137.179%0.78570%0.696SS**  trans-143.7141.5168.8-17666.617300109.6S446S446-E448 PolarHBondContact O-N 2.95Å
449Q44.8Very low44.9Very low159 Ų159138.6 Ų138.674%0.74370%0.697SS**  trans-85.5137.8-168.2-59.2-175.741.100113.4
450R31.7Very low45.6Very low206 Ų206137 Ų13778%0.77770%0.697SS**  trans-142.875.2173-74.3-64.6-17998.90113.2
451P46.5Very low46.3Very low105 Ų105138.8 Ų138.868%0.68270%0.698SS**  trans-71.1179.4170.532.6-36.2000112.5
452A39.7Very low47.5Very low98 Ų98137 Ų13781%0.8168%0.681SS**SBendtrans73.726.8161.700000119.6
453R44.9Very low49.2Very low158 Ų158131.8 Ų131.860%0.59667%0.665SS**SBendtrans-124.2-13.7161.777.9-176176.9-64.6-18.7116.5R455R453-R455 VanDerWaalsContact C-N 3.33Å
454E44Very low51.2Low159 Ų159131 Ų13174%0.74366%0.656SS**G310 helixtrans-70.3-29.6172.7-106.8126.7-147.800112.6L456 L457E454-L456 PolarHBondContact O-N 3.03Å; E454-L457 PolarHBondContact O-N 2.83Å
455R43Very low53.3Low185 Ų185130.7 Ų130.770%0.69865%0.645SS**G310 helixtrans-72.61.6-167.9-116.3178.9179.8-167.3-0.1116.6R453 E458R453-R455 VanDerWaalsContact C-N 3.33Å; R455-E458 WeakPolarHBondContact CG-OE2 3.49Å; R455-E458 IonicContact NE-OE2 2.79Å
456L43.7Very low56Low155 Ų155134.3 Ų134.381%0.81264%0.641SS**G310 helixtrans-97.3-17.9-178.6-136.173.9000113.4E454E454-L456 PolarHBondContact O-N 3.03Å
457L48.3Very low58.7Low130 Ų130132.3 Ų132.368%0.68162%0.623SS**THydrogen-bonded Turntrans-104.3-8.5174.8-61.9174.1000112.7E454 W459 P460E454-L457 PolarHBondContact O-N 2.83Å; L457-W459 PolarHBondContact O-N 2.99Å; L457-P460 WeakPolarHBondContact O-CD 3.4Å
458E44.6Very low60.9Low73 Ų73125.5 Ų125.534%0.34161%0.605SS.*Hα-helixtrans-61.2-13.6177.4-159.6-163.3116.300114.3R455 R462R455-E458 WeakPolarHBondContact CG-OE2 3.49Å; R455-E458 IonicContact NE-OE2 2.79Å; E458-R462 WeakPolarHBondContact O-CB 3.4Å; E458-R462 IonicContact OE1-CZ 3.79Å; E458-R462 IonicContact OE1-NH1 2.77Å; E458-R462 PolarHBondContact OE1-NH1 2.69Å; E458-R462 IonicContact OE1-NH2 2.76Å
459W44.3Very low63.7Low165 Ų165121.4 Ų121.463%0.62559%0.594SS**Hα-helixtrans-90.7-50.7-176.5-78.384.9000113.8L457 E463L457-W459 PolarHBondContact O-N 2.99Å; W459-E463 WeakPolarHBondContact O-CB 3.43Å; W459-E463 PolarHBondContact O-N 3.16Å; W459-E463 VanDerWaalsContact O-N 3.13Å
460P71.5Confident66.2Low80 Ų80119.6 Ų119.652%0.51958%0.584SS.*Hα-helixtrans-51.5-55.6171.6-3135.5000113.8L457 R462 E463 L464L457-P460 WeakPolarHBondContact O-CD 3.4Å; P460-R462 PolarHBondContact O-N 3.07Å; P460-E463 PolarHBondContact O-N 3.28Å; P460-L464 WeakPolarHBondContact O-CB 2.98Å; P460-L464 PolarHBondContact O-N 3.04Å
461D68.8Low69.3Low103 Ų103114.8 Ų114.855%0.55157%0.573SS**Hα-helixtrans-63.9-44.8-173.2-61.7-23.7000111.9E463 L464 D465D461-E463 VanDerWaalsContact C-N 3.3Å; D461-E463 PolarHBondContact O-N 3.11Å; D461-L464 WeakPolarHBondContact O-CB 3.15Å; D461-L464 PolarHBondContact O-N 3.05Å; D461-D465 PolarHBondContact O-N 2.98Å
462R77.4Confident71.6Confident88 Ų88112.9 Ų112.933%0.33256%0.562SS.*Hα-helixtrans-70.6-24.9-179.3-167.7179.262.6-141.4-12.8113E458 P460 R466E458-R462 WeakPolarHBondContact O-CB 3.4Å; E458-R462 IonicContact OE1-CZ 3.79Å; E458-R462 IonicContact OE1-NH1 2.77Å; E458-R462 PolarHBondContact OE1-NH1 2.69Å; E458-R462 IonicContact OE1-NH2 2.76Å; P460-R462 PolarHBondContact O-N 3.07Å; R462-R466 VanDerWaalsContact O-CD 3.31Å; R462-R466 WeakPolarHBondContact O-CD 3.48Å; R462-R466 VanDerWaalsContact O-CG 3.24Å; R462-R466 WeakPolarHBondContact O-CG 3.46Å; R462-R466 PolarHBondContact O-N 3.29Å
463E85.9Confident74.4Confident84 Ų84111.7 Ų111.739%0.39355%0.548SS..Hα-helixtrans-82.2-32.4172-154.460.3-136.500111.6W459 P460 D461 R466 V467W459-E463 WeakPolarHBondContact O-CB 3.43Å; W459-E463 PolarHBondContact O-N 3.16Å; W459-E463 VanDerWaalsContact O-N 3.13Å; P460-E463 PolarHBondContact O-N 3.28Å; D461-E463 VanDerWaalsContact C-N 3.3Å; D461-E463 PolarHBondContact O-N 3.11Å; E463-R466 VanDerWaalsContact CD-CD 3.49Å; E463-R466 WeakPolarHBondContact O-CB 3.21Å; E463-R466 PolarHBondContact O-N 3.07Å; E463-R466 WeakPolarHBondContact OE1-CD 3.25Å; E463-R466 IonicContact OE1-NH1 2.68Å; E463-R466 WeakPolarHBondContact OE2-CD 3.34Å; E463-R466 IonicContact OE2-CZ 3.57Å; E463-R466 IonicContact OE2-NE 3.55Å; E463-R466 IonicContact OE2-NH1 3.25Å; E463-R466 PolarHBondContact OE2-NH1 3.12Å; E463-V467 WeakPolarHBondContact O-CG2 3.45Å; E463-V467 PolarHBondContact O-N 3.13Å
464L90.2Very high76.9Confident116 Ų116109.5 Ų109.561%0.60754%0.54SS*.Hα-helixtrans-61.7-43.5169-177.461.1000111.4P460 D461 R466 V467 N468P460-L464 WeakPolarHBondContact O-CB 2.98Å; P460-L464 PolarHBondContact O-N 3.04Å; D461-L464 WeakPolarHBondContact O-CB 3.15Å; D461-L464 PolarHBondContact O-N 3.05Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.4Å; L464-V467 PolarHBondContact O-N 2.91Å; L464-N468 WeakPolarHBondContact O-CB 3.48Å; L464-N468 PolarHBondContact O-N 3.16Å
465D92.1Very high79.4Confident108 Ų108107.7 Ų107.758%0.57854%0.535SS*.Hα-helixtrans-58.9-39.5172.6-82.3-27.3000112.4D461 S469D461-D465 PolarHBondContact O-N 2.98Å; D465-S469 WeakPolarHBondContact O-CB 3.34Å; D465-S469 PolarHBondContact O-N 3.34Å
466R93.7Very high82Confident134 Ų134102.7 Ų102.751%0.50652%0.519SS..Hα-helixtrans-67.1-45.8176.8-74.9162.9167.6-162.3-9.8111.9R462 E463 L464 S469 F470R462-R466 VanDerWaalsContact O-CD 3.31Å; R462-R466 WeakPolarHBondContact O-CD 3.48Å; R462-R466 VanDerWaalsContact O-CG 3.24Å; R462-R466 WeakPolarHBondContact O-CG 3.46Å; R462-R466 PolarHBondContact O-N 3.29Å; E463-R466 VanDerWaalsContact CD-CD 3.49Å; E463-R466 WeakPolarHBondContact O-CB 3.21Å; E463-R466 PolarHBondContact O-N 3.07Å; E463-R466 WeakPolarHBondContact OE1-CD 3.25Å; E463-R466 IonicContact OE1-NH1 2.68Å; E463-R466 WeakPolarHBondContact OE2-CD 3.34Å; E463-R466 IonicContact OE2-CZ 3.57Å; E463-R466 IonicContact OE2-NE 3.55Å; E463-R466 IonicContact OE2-NH1 3.25Å; E463-R466 PolarHBondContact OE2-NH1 3.12Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.4Å; R466-S469 PolarHBondContact O-N 2.91Å; R466-F470 VanDerWaalsContact O-CB 3.3Å; R466-F470 WeakPolarHBondContact O-CB 3.22Å; R466-F470 PolarHBondContact O-N 2.81Å
467V94.8Very high84.6Confident72 Ų7299.4 Ų99.444%0.43650%0.5SS..Hα-helixtrans-65-43.9177171.60000110.5E463 L464 F470 L471E463-V467 WeakPolarHBondContact O-CG2 3.45Å; E463-V467 PolarHBondContact O-N 3.13Å; L464-V467 PolarHBondContact O-N 2.91Å; V467-F470 PolarHBondContact O-N 3.28Å; V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.28Å; V467-L471 WeakPolarHBondContact O-CB 3.24Å; V467-L471 VanDerWaalsContact O-CG 3.25Å; V467-L471 WeakPolarHBondContact O-CG 3.27Å; V467-L471 PolarHBondContact O-N 2.87Å
468N92.1Very high86.8Confident90 Ų9098 Ų9848%0.48149%0.492SS..Hα-helixtrans-63.1-43.8176.8-172.612.5000111.9L464 L471 S472L464-N468 WeakPolarHBondContact O-CB 3.48Å; L464-N468 PolarHBondContact O-N 3.16Å; N468-L471 PolarHBondContact O-N 3.18Å; N468-S472 WeakPolarHBondContact O-CB 3.5Å; N468-S472 PolarHBondContact O-N 2.78Å; N468-S472 PolarHBondContact O-OG 3.24Å
469S96.1Very high89.3Confident81 Ų81100.3 Ų100.357%0.56650%0.501SS*.Hα-helixtrans-62.6-43.1173.6-177.80000112.1D465 R466 S472 S473D465-S469 WeakPolarHBondContact O-CB 3.34Å; D465-S469 PolarHBondContact O-N 3.34Å; R466-S469 PolarHBondContact O-N 2.91Å; S469-S472 PolarHBondContact O-N 3.21Å; S469-S473 WeakPolarHBondContact O-CB 3.17Å; S469-S473 PolarHBondContact O-N 2.9Å
470F96.8Very high91.8Very high121 Ų12195.2 Ų95.253%0.53149%0.486SS..Hα-helixtrans-63.9-46.7175.9179.4-97.1000112.3R466 V467 S473 R474R466-F470 VanDerWaalsContact O-CB 3.3Å; R466-F470 WeakPolarHBondContact O-CB 3.22Å; R466-F470 PolarHBondContact O-N 2.81Å; V467-F470 PolarHBondContact O-N 3.28Å; F470-S473 PolarHBondContact O-N 3.44Å; F470-R474 HydrophobicContact CD1-CG 4.3Å; F470-R474 HydrophobicContact CE1-CG 3.93Å; F470-R474 HydrophobicContact CE2-CG 4.26Å; F470-R474 HydrophobicContact CZ-CG 3.91Å; F470-R474 WeakPolarHBondContact O-CB 3.25Å; F470-R474 WeakPolarHBondContact O-CG 3.47Å; F470-R474 PolarHBondContact O-N 3.2Å
471L96.6Very high93Very high105 Ų10595.8 Ų95.855%0.5549%0.488SS..Hα-helixtrans-63.1-44176.6-71.3171.9000111.5V467 N468 S473 R474 L475V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.28Å; V467-L471 WeakPolarHBondContact O-CB 3.24Å; V467-L471 VanDerWaalsContact O-CG 3.25Å; V467-L471 WeakPolarHBondContact O-CG 3.27Å; V467-L471 PolarHBondContact O-N 2.87Å; N468-L471 PolarHBondContact O-N 3.18Å; L471-S473 VanDerWaalsContact C-N 3.35Å; L471-S473 PolarHBondContact O-N 2.65Å; L471-R474 PolarHBondContact O-N 2.83Å; L471-L475 VanDerWaalsContact O-CB 3.27Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 PolarHBondContact O-N 3.37Å
472S96.2Very high94.3Very high65 Ų6594.7 Ų94.746%0.45549%0.485SS..Hα-helixtrans-62.3-41.8175.7-64.40000111.8N468 S469 Q476N468-S472 WeakPolarHBondContact O-CB 3.5Å; N468-S472 PolarHBondContact O-N 2.78Å; N468-S472 PolarHBondContact O-OG 3.24Å; S469-S472 PolarHBondContact O-N 3.21Å; S472-Q476 VanDerWaalsContact O-CB 3.26Å; S472-Q476 WeakPolarHBondContact O-CB 3.2Å; S472-Q476 PolarHBondContact O-N 2.93Å
473S97.3Very high95.2Very high73 Ų7394.6 Ų94.651%0.5149%0.487SS..Hα-helixtrans-63.6-49.4175.7-173.90000111.5S469 F470 L471 L475 Q476 E477S469-S473 WeakPolarHBondContact O-CB 3.17Å; S469-S473 PolarHBondContact O-N 2.9Å; F470-S473 PolarHBondContact O-N 3.44Å; L471-S473 VanDerWaalsContact C-N 3.35Å; L471-S473 PolarHBondContact O-N 2.65Å; S473-L475 PolarHBondContact O-N 3.43Å; S473-Q476 PolarHBondContact O-N 3.38Å; S473-E477 WeakPolarHBondContact O-CB 3.38Å; S473-E477 PolarHBondContact O-N 3.4Å
474R97.3Very high95.6Very high113 Ų11393.9 Ų93.943%0.42649%0.485SS..Hα-helixtrans-62.7-39.1176.3-72.2-53.1-158.9168.55.5112.8F470 L471 E477 I478F470-R474 HydrophobicContact CD1-CG 4.3Å; F470-R474 HydrophobicContact CE1-CG 3.93Å; F470-R474 HydrophobicContact CE2-CG 4.26Å; F470-R474 HydrophobicContact CZ-CG 3.91Å; F470-R474 WeakPolarHBondContact O-CB 3.25Å; F470-R474 WeakPolarHBondContact O-CG 3.47Å; F470-R474 PolarHBondContact O-N 3.2Å; L471-R474 PolarHBondContact O-N 2.83Å; R474-E477 WeakPolarHBondContact CD-OE2 3.48Å; R474-E477 IonicContact CZ-OE2 3.8Å; R474-E477 IonicContact NE-OE2 2.72Å; R474-E477 IonicContact NH1-OE1 3.93Å; R474-E477 PolarHBondContact NH1-OE1 3.41Å; R474-E477 IonicContact NH1-OE2 3.63Å; R474-E477 PolarHBondContact NH1-OE2 2.92Å; R474-E477 WeakPolarHBondContact O-CB 3.3Å; R474-E477 PolarHBondContact O-N 3.47Å; R474-I478 WeakPolarHBondContact O-CB 3.11Å; R474-I478 WeakPolarHBondContact O-CD1 3.31Å; R474-I478 VanDerWaalsContact O-CG1 3.24Å; R474-I478 WeakPolarHBondContact O-CG1 3.04Å; R474-I478 PolarHBondContact O-N 3.44Å
475L97.5Very high95.8Very high120 Ų12091.6 Ų91.663%0.62848%0.48SS*.Hα-helixtrans-67-37.6175.8-175.361.6000111.6L471 S473 K479L471-L475 VanDerWaalsContact O-CB 3.27Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 PolarHBondContact O-N 3.37Å; S473-L475 PolarHBondContact O-N 3.43Å; L475-K479 WeakPolarHBondContact O-CB 3.22Å; L475-K479 PolarHBondContact O-N 3.02Å
476Q97Very high95.8Very high80 Ų8090.6 Ų90.637%0.37447%0.473SS..Hα-helixtrans-72.5-32.8175.3-179.254.276.600112.7S472 S473 K479 N480S472-Q476 VanDerWaalsContact O-CB 3.26Å; S472-Q476 WeakPolarHBondContact O-CB 3.2Å; S472-Q476 PolarHBondContact O-N 2.93Å; S473-Q476 PolarHBondContact O-N 3.38Å; Q476-K479 VanDerWaalsContact CD-CE 3.49Å; Q476-K479 VanDerWaalsContact NE2-CE 3.26Å; Q476-N480 PolarHBondContact NE2-ND2 3.31Å; Q476-N480 VanDerWaalsContact NE2-ND2 3.11Å; Q476-N480 PolarHBondContact NE2-OD1 3.1Å; Q476-N480 WeakPolarHBondContact O-CB 3.47Å; Q476-N480 PolarHBondContact O-N 2.76Å; Q476-N480 VanDerWaalsContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 2.84Å; Q476-N480 VanDerWaalsContact O-ND2 3.17Å
477E97.3Very high95.6Very high87 Ų8792.1 Ų92.141%0.40748%0.479SS..Hα-helixtrans-62.2-57.5169.1-178.7-174.8-177.800110.4S473 R474 K479 N480 T481S473-E477 WeakPolarHBondContact O-CB 3.38Å; S473-E477 PolarHBondContact O-N 3.4Å; R474-E477 WeakPolarHBondContact CD-OE2 3.48Å; R474-E477 IonicContact CZ-OE2 3.8Å; R474-E477 IonicContact NE-OE2 2.72Å; R474-E477 IonicContact NH1-OE1 3.93Å; R474-E477 PolarHBondContact NH1-OE1 3.41Å; R474-E477 IonicContact NH1-OE2 3.63Å; R474-E477 PolarHBondContact NH1-OE2 2.92Å; R474-E477 WeakPolarHBondContact O-CB 3.3Å; R474-E477 PolarHBondContact O-N 3.47Å; E477-K479 VanDerWaalsContact C-N 3.32Å; E477-K479 PolarHBondContact O-N 3.07Å; E477-N480 CarbonylContact O-C 3.51Å; E477-N480 WeakPolarHBondContact O-CA 3.21Å; E477-N480 WeakPolarHBondContact O-CB 3.36Å; E477-N480 PolarHBondContact O-N 3.33Å; E477-T481 PolarHBondContact O-N 2.97Å; E477-T481 PolarHBondContact O-OG1 2.74Å
478I96.4Very high95.3Very high99 Ų9991.3 Ų91.351%0.50848%0.48SS..Hα-helixtrans-55.7-45.3178.4-67.9163000111.2R474 N480 T481 V482R474-I478 WeakPolarHBondContact O-CB 3.11Å; R474-I478 WeakPolarHBondContact O-CD1 3.31Å; R474-I478 VanDerWaalsContact O-CG1 3.24Å; R474-I478 WeakPolarHBondContact O-CG1 3.04Å; R474-I478 PolarHBondContact O-N 3.44Å; I478-N480 VanDerWaalsContact C-N 3.29Å; I478-N480 PolarHBondContact O-N 3.36Å; I478-T481 PolarHBondContact O-N 3.12Å; I478-V482 HydrophobicContact CG2-CG2 4.42Å; I478-V482 WeakPolarHBondContact O-CG2 3.42Å; I478-V482 PolarHBondContact O-N 3.48Å
479K96.8Very high94.9Very high122 Ų12290.2 Ų90.253%0.5348%0.479SS..Hα-helixtrans-60.4-37176.5-175.317967.1-174.10112.3L475 Q476 E477 K483L475-K479 WeakPolarHBondContact O-CB 3.22Å; L475-K479 PolarHBondContact O-N 3.02Å; Q476-K479 VanDerWaalsContact CD-CE 3.49Å; Q476-K479 VanDerWaalsContact NE2-CE 3.26Å; E477-K479 VanDerWaalsContact C-N 3.32Å; E477-K479 PolarHBondContact O-N 3.07Å; K479-K483 WeakPolarHBondContact O-CB 3.27Å; K479-K483 PolarHBondContact O-N 2.87Å; K479-K483 VanDerWaalsContact O-N 3.1Å
480N96Very high93.8Very high59 Ų5993.2 Ų93.232%0.31648%0.482SS..Hα-helixtrans-69.3-50173.1-78.4-33.6000111.1Q476 E477 I478 V482 K483 D484Q476-N480 PolarHBondContact NE2-ND2 3.31Å; Q476-N480 VanDerWaalsContact NE2-ND2 3.11Å; Q476-N480 PolarHBondContact NE2-OD1 3.1Å; Q476-N480 WeakPolarHBondContact O-CB 3.47Å; Q476-N480 PolarHBondContact O-N 2.76Å; Q476-N480 VanDerWaalsContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 2.84Å; Q476-N480 VanDerWaalsContact O-ND2 3.17Å; E477-N480 CarbonylContact O-C 3.51Å; E477-N480 WeakPolarHBondContact O-CA 3.21Å; E477-N480 WeakPolarHBondContact O-CB 3.36Å; E477-N480 PolarHBondContact O-N 3.33Å; I478-N480 VanDerWaalsContact C-N 3.29Å; I478-N480 PolarHBondContact O-N 3.36Å; N480-V482 VanDerWaalsContact C-N 3.28Å; N480-V482 PolarHBondContact O-N 2.83Å; N480-K483 PolarHBondContact O-N 3.37Å; N480-K483 VanDerWaalsContact O-N 3.11Å; N480-K483 PolarHBondContact OD1-NZ 3.07Å; N480-D484 WeakPolarHBondContact O-CB 3.44Å; N480-D484 VanDerWaalsContact O-CG 3.29Å; N480-D484 PolarHBondContact O-N 2.93Å
481T96.9Very high92.9Very high91 Ų9190.3 Ų90.356%0.55848%0.477SS*.Hα-helixtrans-54.3-42.8177.7-53.30000112.3E477 I478 S485E477-T481 PolarHBondContact O-N 2.97Å; E477-T481 PolarHBondContact O-OG1 2.74Å; I478-T481 PolarHBondContact O-N 3.12Å; T481-S485 WeakPolarHBondContact O-CB 3.2Å; T481-S485 PolarHBondContact O-N 3.48Å
482V96.4Very high91.3Very high80 Ų8090.3 Ų90.349%0.48548%0.481SS..Hα-helixtrans-66-49175.5171.50000111.5I478 N480 D484 S485 I486I478-V482 HydrophobicContact CG2-CG2 4.42Å; I478-V482 WeakPolarHBondContact O-CG2 3.42Å; I478-V482 PolarHBondContact O-N 3.48Å; N480-V482 VanDerWaalsContact C-N 3.28Å; N480-V482 PolarHBondContact O-N 2.83Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 2.84Å; V482-S485 PolarHBondContact O-N 3.45Å; V482-I486 HydrophobicContact CG1-CD1 3.73Å; V482-I486 HydrophobicContact CG1-CG1 4.46Å; V482-I486 WeakPolarHBondContact O-CB 3.26Å; V482-I486 VanDerWaalsContact O-CG1 3.24Å; V482-I486 WeakPolarHBondContact O-CG1 3.45Å; V482-I486 PolarHBondContact O-N 3.41Å
483K95.8Very high89.5Confident86 Ų8691.1 Ų91.137%0.37449%0.486SS..Hα-helixtrans-59.9-38.6178175.2-142.772.9-157.80112.5K479 N480 R487K479-K483 WeakPolarHBondContact O-CB 3.27Å; K479-K483 PolarHBondContact O-N 2.87Å; K479-K483 VanDerWaalsContact O-N 3.1Å; N480-K483 PolarHBondContact O-N 3.37Å; N480-K483 VanDerWaalsContact O-N 3.11Å; N480-K483 PolarHBondContact OD1-NZ 3.07Å; K483-R487 WeakPolarHBondContact O-CB 3.38Å; K483-R487 PolarHBondContact O-N 2.82Å; K483-R487 VanDerWaalsContact O-N 3.12Å
484D94.6Very high87.6Confident69 Ų6994.9 Ų94.937%0.36950%0.495SS..Hα-helixtrans-80.6-33.4-179.7-64.5-41.9000111.4N480 V482 R487 A488N480-D484 WeakPolarHBondContact O-CB 3.44Å; N480-D484 VanDerWaalsContact O-CG 3.29Å; N480-D484 PolarHBondContact O-N 2.93Å; V482-D484 VanDerWaalsContact C-N 3.31Å; V482-D484 PolarHBondContact O-N 2.84Å; D484-R487 PolarHBondContact O-N 3.17Å; D484-A488 WeakPolarHBondContact O-CB 3.26Å; D484-A488 PolarHBondContact O-N 3.49Å
485S93.9Very high85.6Confident69 Ų6995.8 Ų95.848%0.48351%0.508SS..Hα-helixtrans-62.1-46.9167.8-176.70000111.8T481 V482 R487 A488 S489T481-S485 WeakPolarHBondContact O-CB 3.2Å; T481-S485 PolarHBondContact O-N 3.48Å; V482-S485 PolarHBondContact O-N 3.45Å; S485-R487 VanDerWaalsContact C-N 3.32Å; S485-R487 PolarHBondContact O-N 3.21Å; S485-A488 PolarHBondContact O-N 2.91Å; S485-S489 PolarHBondContact O-N 3.11Å; S485-S489 PolarHBondContact O-OG 3Å
486I92.4Very high83.5Confident86 Ų8694.1 Ų94.144%0.44151%0.506SS..Hα-helixtrans-59.5-44.6176.6-72.2166.5000110.3V482 A488 S489 F490V482-I486 HydrophobicContact CG1-CD1 3.73Å; V482-I486 HydrophobicContact CG1-CG1 4.46Å; V482-I486 WeakPolarHBondContact O-CB 3.26Å; V482-I486 VanDerWaalsContact O-CG1 3.24Å; V482-I486 WeakPolarHBondContact O-CG1 3.45Å; V482-I486 PolarHBondContact O-N 3.41Å; I486-A488 PolarHBondContact O-N 3.4Å; I486-S489 PolarHBondContact O-N 2.99Å; I486-F490 HydrophobicContact CG2-CD2 3.7Å; I486-F490 HydrophobicContact CG2-CE2 3.68Å; I486-F490 WeakPolarHBondContact O-CD2 3.17Å; I486-F490 PolarHBondContact O-N 3Å
487R89.9Confident81.7Confident167 Ų16798.6 Ų98.663%0.6353%0.529SS*.Hα-helixtrans-59.6-44.4175.7-174.6-176.9-60.5-153.7-4.8112.3K483 D484 S485 S491K483-R487 WeakPolarHBondContact O-CB 3.38Å; K483-R487 PolarHBondContact O-N 2.82Å; K483-R487 VanDerWaalsContact O-N 3.12Å; D484-R487 PolarHBondContact O-N 3.17Å; S485-R487 VanDerWaalsContact C-N 3.32Å; S485-R487 PolarHBondContact O-N 3.21Å; R487-S491 WeakPolarHBondContact O-CB 3.21Å; R487-S491 PolarHBondContact O-N 2.95Å
488A88Confident79.7Confident55 Ų5599.9 Ų99.946%0.45554%0.539SS..Hα-helixtrans-63.9-42.6175.800000111.8D484 S485 I486 S491 V492D484-A488 WeakPolarHBondContact O-CB 3.26Å; D484-A488 PolarHBondContact O-N 3.49Å; S485-A488 PolarHBondContact O-N 2.91Å; I486-A488 PolarHBondContact O-N 3.4Å; A488-S491 PolarHBondContact O-N 3.37Å; A488-V492 WeakPolarHBondContact O-CG2 3.12Å; A488-V492 PolarHBondContact O-N 2.88Å
489S83.7Confident77.8Confident67 Ų6799.8 Ų99.847%0.46955%0.547SS..Hα-helixtrans-60.3-47.6177.1-60.20000112.4S485 I486 V492 C493S485-S489 PolarHBondContact O-N 3.11Å; S485-S489 PolarHBondContact O-OG 3Å; I486-S489 PolarHBondContact O-N 2.99Å; S489-V492 PolarHBondContact O-N 3.12Å; S489-C493 PolarHBondContact O-N 2.61Å; S489-C493 PolarHBondContact O-SG 2.87Å
490F73.9Confident75.9Confident144 Ų144101.6 Ų101.663%0.63256%0.563SS**Hα-helixtrans-62.9-44.1175.7-82.3-68.8000112I486 V492 C493 E494I486-F490 HydrophobicContact CG2-CD2 3.7Å; I486-F490 HydrophobicContact CG2-CE2 3.68Å; I486-F490 WeakPolarHBondContact O-CD2 3.17Å; I486-F490 PolarHBondContact O-N 3Å; F490-V492 VanDerWaalsContact C-N 3.26Å; F490-V492 PolarHBondContact O-N 2.91Å; F490-C493 PolarHBondContact O-N 3.08Å; F490-C493 VanDerWaalsContact O-N 3.13Å; F490-E494 PolarHBondContact O-N 2.61Å
491S76.8Confident73.4Confident60 Ų60101.9 Ų101.942%0.4258%0.58SS.*Hα-helixtrans-61.6-30.2178.2-1780000113.8R487 A488 L495R487-S491 WeakPolarHBondContact O-CB 3.21Å; R487-S491 PolarHBondContact O-N 2.95Å; A488-S491 PolarHBondContact O-N 3.37Å; S491-L495 WeakPolarHBondContact O-CG 3.45Å; S491-L495 PolarHBondContact O-N 3.11Å
492V63.4Low70.5Confident104 Ų104106.8 Ų106.863%0.6359%0.593SS**Hα-helixtrans-78.6-32.3176170.70000111.7A488 S489 F490A488-V492 WeakPolarHBondContact O-CG2 3.12Å; A488-V492 PolarHBondContact O-N 2.88Å; S489-V492 PolarHBondContact O-N 3.12Å; F490-V492 VanDerWaalsContact C-N 3.26Å; F490-V492 PolarHBondContact O-N 2.91Å
493C59.1Low68.1Low83 Ų83109 Ų10956%0.56161%0.613SS**Hα-helixtrans-71.5-34.3172.9-67.50000112.7S489 F490 S496S489-C493 PolarHBondContact O-N 2.61Å; S489-C493 PolarHBondContact O-SG 2.87Å; F490-C493 PolarHBondContact O-N 3.08Å; F490-C493 VanDerWaalsContact O-N 3.13Å; C493-S496 WeakPolarHBondContact O-CB 3.44Å; C493-S496 PolarHBondContact O-N 3.12Å
494E56Low65.7Low151 Ų151112.5 Ų112.571%0.70663%0.628SS**Hα-helixtrans-67.3-35.9179.8-154.4167.4-166.100111.8F490 S496F490-E494 PolarHBondContact O-N 2.61Å; E494-S496 PolarHBondContact O-N 2.88Å
495L56Low63.3Low133 Ų133118.1 Ų118.170%0.69665%0.652SS**THydrogen-bonded Turntrans-79.719172.6-65.1170.2000114.2S491S491-L495 WeakPolarHBondContact O-CG 3.45Å; S491-L495 PolarHBondContact O-N 3.11Å
496S53.7Low60.5Low85 Ų85118.4 Ų118.459%0.59467%0.666SS**THydrogen-bonded Turntrans-127.88.8-179.8-173.50000113C493 E494C493-S496 WeakPolarHBondContact O-CB 3.44Å; C493-S496 PolarHBondContact O-N 3.12Å; E494-S496 PolarHBondContact O-N 2.88Å
497M59.2Low57.9Low173 Ų173119.3 Ų119.385%0.85269%0.686SS**SBendtrans-114-5.3-178.9-67.8-167.965.600113.8
498D55.6Low55.3Low115 Ų115116.4 Ų116.462%0.61570%0.698SS**SBendtrans-97.6-20.6-175.258.1-57.5000114.2N500D498-N500 PolarHBondContact O-N 3.39Å; D498-N500 VanDerWaalsContact O-N 3.11Å
499S56.5Low52.6Low97 Ų97122 Ų12268%0.67872%0.715SS**SBendtrans-75.62-170.871.60000116.4
500N55.5Low50.7Low160 Ų160124 Ų12486%0.85673%0.725SS**SBendtrans-13147.5-165.8-12388.2000114.2D498D498-N500 PolarHBondContact O-N 3.39Å; D498-N500 VanDerWaalsContact O-N 3.11Å
501G45.1Very low48.7Very low65 Ų65124.6 Ų124.667%0.6773%0.73SS**SBendtrans-141.8111.2178.200000114.8
502F34.9Very low47.2Very low193 Ų193126 Ų12685%0.84674%0.738SS**  trans57.397.3164.1-100.1-96.5000119.3K504F502-K504 HydrophobicContact CD1-CB 4.09Å
503S45.3Very low45.5Very low128 Ų128128.9 Ų128.990%0.89575%0.745SS**  trans-76.7116145-54.10000109.5
504K46.8Very low44Very low159 Ų159130.5 Ų130.569%0.69176%0.757SS**  trans-148.998.9160-164.6171.2-176.7177.40112.7F502F502-K504 HydrophobicContact CD1-CB 4.09Å
505E44.7Very low42.8Very low187 Ų187131.2 Ų131.287%0.87477%0.765SS**  trans2.3119.1143.648.3-175.496.500117.3
506G33.8Very low42.4Very low75 Ų75130.4 Ų130.477%0.77377%0.767SS**  trans-159.93.2-171.800000120.4
507A37.4Very low41.9Very low104 Ų104131.5 Ų131.586%0.8677%0.773SS**  trans63.5152.216700000121.6
508A35.3Very low40.3Very low106 Ų106129 Ų12988%0.87677%0.772SS**  trans83.6133.6162.900000121.3
509E32Very low39.1Very low174 Ų174130.6 Ų130.681%0.81378%0.781SS**  trans-101.2179.6170.3-117.8-134.2120.200110
510P44.3Very low37.8Very low107 Ų107133.8 Ų133.870%0.69579%0.789SS**  cis-131.2-172.42.125.7-0.4000115.9
511E32.2Very low36.4Very low158 Ų158132.3 Ų132.374%0.73879%0.791SS**  trans-53.1173.3162.5-116.7-147.177.200114.3
512P44.1Very low35.5Very low90 Ų90132.7 Ų132.758%0.58480%0.795SS**  cis-148.5-179.227.644.8-24000121
513Q29.4Very low35.2Very low164 Ų164128.1 Ų128.177%0.76679%0.787SS**  trans85.4127.5142-87.8163.369.700125.4
514S27.3Very low34.6Very low117 Ų117128 Ų12882%0.81879%0.786SS**  trans96.8150.7139.177.50000121.7
515L29.7Very low34.3Very low165 Ų165127 Ų12786%0.86478%0.784SS**  trans-121.2-164.3-175.8-57.5171.3000110.3
516P47.7Very low33.9Very low116 Ų116127 Ų12775%0.75378%0.784SS**  -117.9-145.4-113.142.3-21.7000110.6
517P44.3Very low33.9Very low109 Ų109129.3 Ų129.371%0.70878%0.775SS**  cis-114.8171.6-42.738.1-27000111.7
518S25.3Very low34.2Very low119 Ų119129.5 Ų129.583%0.83277%0.767SS**  trans173.4156133.9-830000113.8
519N30.8Very low34Very low150 Ų150129.2 Ų129.280%0.80275%0.751SS**  trans-76.6141.2174.3-50.3-88.5000111.6
520L28.6Very low34.2Very low164 Ų164128.2 Ų128.286%0.85975%0.749SS**  165.9125.6105.9-88.1176.5000114
521S26.5Very low33.7Very low128 Ų128129.2 Ų129.290%0.89575%0.749SS**  trans64.7141.7141.4-1460000122.3
522G25Very low33.5Very low73 Ų73130.1 Ų130.175%0.75376%0.758SS**  trans99125.6170.200000114.4
523S28.7Very low32.9Very low97 Ų97132.4 Ų132.468%0.67877%0.765SS**  cis-151.9155.6-8-172.70000111.1
524S33.8Very low33.1Very low125 Ų125131.8 Ų131.887%0.87477%0.766SS**  trans-15784.7162.6-177.60000109.3
525E39.7Very low33.4Very low138 Ų138131.6 Ų131.665%0.64577%0.765SS**  trans-89.3118.9-179.3-75.2179.675.100113.3
526Q35.8Very low34Very low188 Ų188129.1 Ų129.188%0.87976%0.759SS**  trans-169.484.2146-128.987.380.900106.5
527Q34.1Very low33.5Very low123 Ų123131.4 Ų131.458%0.57576%0.764SS**  cis71132.244.1-157.164.84.400112.2
528P44.8Very low32.7Very low108 Ų108132.4 Ų132.470%0.70177%0.768SS**  cis-113173.6-444.6-32.7000112.2
529D30.6Very low32.9Very low100 Ų100134.9 Ų134.954%0.53577%0.772SS.*  cis68.3147.232.8-135.811.6000112.1N531D529-N531 PolarHBondContact OD1-ND2 2.89Å
530I35.3Very low32.7Very low153 Ų153131.7 Ų131.779%0.78577%0.774SS**  cis-135.5-173.411.352.9164000110.4
531N33.3Very low32.6Very low128 Ų128129.5 Ų129.568%0.68477%0.772SS**  -169.7146-73.7-132.4-53.4000107.4D529D529-N531 PolarHBondContact OD1-ND2 2.89Å
532L29.2Very low33.9Very low177 Ų177128.7 Ų128.793%0.92776%0.764SS**  trans-155.7162.8172.5-140.370.1000115.3
533D32Very low34Very low138 Ų138134.2 Ų134.274%0.73877%0.77SS**  trans-96.5-178.5-144.5-15914.5000116.6
534L32Very low34.1Very low151 Ų151136.7 Ų136.779%0.79178%0.776SS**  trans-39.9155.3-176.4-65.7152.9000119.9
535S35.1Very low33.9Very low114 Ų114139.7 Ų139.780%0.79778%0.776SS**  trans-47.8163.1165.4-48.40000115.1
536P42.4Very low33.4Very low112 Ų112139.2 Ų139.273%0.72778%0.782SS**  cis-150.6176.727.643.8-22.9000119.8
537L35.9Very low33.2Very low164 Ų164137.8 Ų137.886%0.85978%0.78SS**  trans43.1126.6151.7-67.5171.4000122.3
538T27.1Very low33Very low131 Ų131141.1 Ų141.180%0.80480%0.795SS**  175.1146.5118.5-75.80000114.7
539L29.9Very low32.2Very low171 Ų171140.1 Ų140.190%0.89580%0.796SS**  trans-14.9144.4169.2-59.8163.7000121.5
540G26.1Very low32.9Very low82 Ų82141.9 Ų141.985%0.84581%0.813SS**  trans-179.8108.916000000115.7
541S26.7Very low32.4Very low118 Ų118138.5 Ų138.583%0.82582%0.816SS**  trans-107.7-173.1175-57.30000110.7
542P54Low32.1Very low111 Ų111140.9 Ų140.972%0.72182%0.823SS**  -127.6-178-56.737.4-23.2000111.8
543Q28.1Very low33.3Very low190 Ų190137.3 Ų137.389%0.88881%0.81SS**  -175.8160.4129.7-104164.410.300115.5
544N30Very low33.1Very low149 Ų149135 Ų13580%0.79781%0.811SS**  trans-92.5162.2178-52.3-88.7000111.6
545H30.4Very low34.4Very low188 Ų188133.5 Ų133.587%0.8781%0.809SS**  -170.3161.712049.3-81.1000112.9
546T28.6Very low34.7Very low127 Ų127133.7 Ų133.778%0.77981%0.808SS**  trans-123.6154.4174.4-57.20000108.2
547L32.6Very low34.2Very low159 Ų159139.5 Ų139.583%0.83282%0.816SS**  trans144.9122.9145.4-79.6164.9000112.3
548Q28.2Very low34Very low193 Ų193135.3 Ų135.390%0.90281%0.805SS**  170.5150.5111.8-92.2-164.865.300115.1
549A28.6Very low34.1Very low87 Ų87135.8 Ų135.872%0.71980%0.798SS**  trans-158.2170.8163.600000105.4
550P44.8Very low34.2Very low136 Ų136134.4 Ų134.488%0.88379%0.789SS**  cis-143-166.719.843.5-22.8000115.8
551G25.4Very low34.3Very low82 Ų82138.8 Ų138.885%0.84578%0.78SS**  trans163.1134.5162.200000116.6
552E26.8Very low34.4Very low179 Ų179136.4 Ų136.484%0.83677%0.773SS**  trans-137.9-167.4179.2-133.8-139.3121.500108.5
553P53.9Low34Very low102 Ų102137.6 Ų137.666%0.66278%0.781SS**  cis-134.7-177.4-9.743.7-27.4000115.6
554A28.8Very low34.3Very low90 Ų90136.4 Ų136.474%0.74478%0.775SS**  161132.8126.400000117.1
555P58.2Low35Very low118 Ų118134.6 Ų134.677%0.76677%0.772SS**  trans-94.2-172.5169.941.5-37.7000112.3
556P42Very low35.5Very low119 Ų119130.2 Ų130.277%0.77376%0.76SS**  cis-127.9-149.19.345.4-25000112.8
557W31.2Very low35.5Very low233 Ų233134.2 Ų134.288%0.88376%0.761SS**  cis-149.1-170.940.455.3-79.4000113.1
558A31.7Very low35.8Very low76 Ų76132.3 Ų132.363%0.62876%0.756SS**  trans-152.9-170.3-16900000115.1
559E29.6Very low35.9Very low141 Ų141130.9 Ų130.966%0.65975%0.749SS**  trans84144.2-179.6-58.5-161.891.300116.7R561E559-R561 IonicContact OE1-CZ 2.69Å; E559-R561 VanDerWaalsContact OE1-CZ 3.25Å; E559-R561 IonicContact OE1-NH1 3.66Å; E559-R561 PolarHBondContact OE1-NH1 3.33Å; E559-R561 IonicContact OE1-NH2 3.75Å; E559-R561 PolarHBondContact OE1-NH2 3.07Å; E559-R561 IonicContact OE2-NH2 2.99Å
560M33Very low36.2Very low143 Ų143132.5 Ų132.570%0.70475%0.75SS**  cis-172-164.7-14.1-102.4-94-171.900106.5
561R27.8Very low35.4Very low174 Ų174137.1 Ų137.166%0.65775%0.75SS**  cis-157.5162.78.1-136154.5-63.1-93.97.3108.3E559E559-R561 IonicContact OE1-CZ 2.69Å; E559-R561 VanDerWaalsContact OE1-CZ 3.25Å; E559-R561 IonicContact OE1-NH1 3.66Å; E559-R561 PolarHBondContact OE1-NH1 3.33Å; E559-R561 IonicContact OE1-NH2 3.75Å; E559-R561 PolarHBondContact OE1-NH2 3.07Å; E559-R561 IonicContact OE2-NH2 2.99Å
562G29.1Very low35.6Very low67 Ų67136.7 Ų136.769%0.69175%0.745SS**  trans-78.3179.2171.400000113.9
563P45.3Very low36.8Very low137 Ų137134.1 Ų134.189%0.8974%0.744SS**  -149.6-178.364.240.8-20.7000118.1
564H34.8Very low37.1Very low165 Ų165134.7 Ų134.776%0.76475%0.748SS**  trans-76.8172.6173-133.3-56000112.4
565P43.6Very low37.7Very low111 Ų111136.3 Ų136.372%0.72175%0.751SS**  -153.2-150.892.550.1-29.6000113.3
566P41.6Very low36.3Very low95 Ų95134.3 Ų134.362%0.61775%0.751SS**  -141.7-171.7-126.229.10.4000119
567W28.9Very low35.9Very low212 Ų212137.1 Ų137.180%0.80376%0.758SS**  trans57.2-176.9151.784.6-76.8000122.3
568T37.5Very low36.1Very low119 Ų119130.5 Ų130.573%0.7375%0.753SS**  -168.7169.7-70.9-70.80000109.4
569E32Very low36.9Very low162 Ų162132.5 Ų132.576%0.75776%0.76SS**  trans96.1-167.9169.2-144.1174.1130.700117.7
570V34.3Very low36.9Very low122 Ų122134 Ų13474%0.73977%0.767SS**  trans-162.2-172.4-138.784.90000114.3
571R28.6Very low36.9Very low232 Ų232134.1 Ų134.188%0.87577%0.77SS**  trans89.9145.1-172.8-56.2176179.3-132.40.8113
572G29.2Very low37.3Very low73 Ų73129.5 Ų129.575%0.75378%0.777SS**  cis178.9152.8-7.300000111.5
573P50.8Low37.7Very low125 Ų125134.9 Ų134.981%0.81279%0.789SS**  trans-110.9-167.9-16942.3-35.3000114.5
574P60.3Low37.4Very low115 Ų115134.6 Ų134.675%0.74778%0.784SS**  -117.2-173.4-64.740.4-26000111.3
575P42.6Very low37.7Very low124 Ų124138.3 Ų138.381%0.80579%0.792SS**  -162.415997.140.7-20.7000119.1
576G28.8Very low37.5Very low75 Ų75144.6 Ų144.677%0.77380%0.801SS**  trans72.3150.5154.900000118.1
577I32.3Very low37.2Very low179 Ų179147.3 Ų147.392%0.91881%0.809SS**  cis-144.8159.20.227.2172.7000109.8
578A36.7Very low37.5Very low94 Ų94145 Ų14578%0.77781%0.813SS**  trans-110.2-172.9-178.900000110.5
579P47.7Very low37.3Very low118 Ų118144.1 Ų144.177%0.76681%0.808SS**  cis-137172.4-2.542.8-26.8000116.1
580E31.1Very low37.4Very low172 Ų172143 Ų14380%0.80481%0.812SS**  trans-160.8179.3132.5-122-136.485.500113.8
581N32.8Very low37.8Very low145 Ų145142 Ų14278%0.77581%0.808SS**  trans-80.5145.5-162.7-56.1-79.9000114.4
582G34.6Very low38.1Very low77 Ų77137.4 Ų137.479%0.79480%0.8SS**  trans-15797.2175.500000114V584G582-V584 PolarHBondContact O-N 2.88Å
583L39.1Very low38.5Very low180 Ų180141.9 Ų141.994%0.94281%0.806SS**  trans-86.390.1-177.3-76166.2000113.5
584V37.4Very low38Very low132 Ų132140.3 Ų140.380%0.880%0.798SS**  trans-151.7113148.5-175.30000111.7G582G582-V584 PolarHBondContact O-N 2.88Å
585R42.4Very low37.4Very low242 Ų242145.7 Ų145.791%0.91380%0.803SS**  trans-171.1143131.1-103.6171.792.8112.7-0.7110.2
586R39.8Very low37.1Very low244 Ų244146.3 Ų146.392%0.92181%0.805SS**  trans-78127.2-171.5-69.9155.464172.10.1110.8
587L35Very low37.7Very low151 Ų151149.2 Ų149.279%0.79180%0.801SS**  trans-70.5136.7162.6-120.568.9000108.8T589L587-T589 HydrophobicContact CG-CG2 4.48Å
588N33.9Very low37.8Very low163 Ų163152.8 Ų152.887%0.87280%0.803SS**  trans-125.181.1173.2-155.77.8000108.2
589T34.5Very low37.6Very low102 Ų102154 Ų15463%0.62680%0.801SS**  trans-143.5105-172.353.40000110.6L587L587-T589 HydrophobicContact CG-CG2 4.48Å
590V34.1Very low36.7Very low139 Ų139157.7 Ų157.784%0.84281%0.805SS**PPolyproline II helixtrans-96.9130164.5179.80000107.8
591P42.3Very low36.8Very low101 Ų101155.6 Ų155.666%0.65680%0.804SS**PPolyproline II helixtrans-76.9143.6-174.230.2-35.2000112.9L593P591-L593 PolarHBondContact O-N 2.83Å
592N34.5Very low36.8Very low134 Ų134154.5 Ų154.572%0.71781%0.805SS**PPolyproline II helixtrans-67.5120.2172.9-178.1-61000111.1S594N592-S594 WeakPolarHBondContact OD1-CB 3.19Å; N592-S594 PolarHBondContact OD1-N 2.85Å; N592-S594 PolarHBondContact OD1-OG 2.85Å
593L37Very low36.3Very low167 Ų167160.4 Ų160.487%0.87481%0.809SS**  trans-106.377.4176.9-69.7178.8000111.8P591P591-L593 PolarHBondContact O-N 2.83Å
594S40.4Very low36Very low92 Ų92158.2 Ų158.264%0.64381%0.805SS**  trans-135.335.2176.565.70000114.7N592N592-S594 WeakPolarHBondContact OD1-CB 3.19Å; N592-S594 PolarHBondContact OD1-N 2.85Å; N592-S594 PolarHBondContact OD1-OG 2.85Å
595R48.9Very low35.4Very low228 Ų228155.3 Ų155.386%0.8680%0.802SS**  trans-128.8110.7171.8-67.1-170-179-126.7-3.1112.4I597R595-I597 PolarHBondContact O-N 3.34Å
596V36.7Very low35.3Very low137 Ų137154.9 Ų154.983%0.8380%0.802SS**  trans-71.3118.9170178.50000108.9
597I40.3Very low34.9Very low137 Ų137148.4 Ų148.470%0.70379%0.791SS**  trans-114.4118.1170.2-57.2178.9000107.6R595 V599R595-I597 PolarHBondContact O-N 3.34Å; I597-V599 HydrophobicContact CG2-CG2 4Å; I597-V599 PolarHBondContact O-N 3.48Å
598W34Very low34.4Very low253 Ų253146.9 Ų146.996%0.95879%0.793SS**  trans-70.4116169-91.914.9000109.8
599V32.6Very low34.2Very low120 Ų120144.2 Ų144.273%0.72779%0.787SS**  trans-117.6125.7169.7-175.80000108.5I597I597-V599 HydrophobicContact CG2-CG2 4Å; I597-V599 PolarHBondContact O-N 3.48Å
600K29.4Very low33.8Very low195 Ų195148.5 Ų148.585%0.84880%0.8SS**PPolyproline II helixtrans-88.2130.5-179.5-173.1164.260.81790109.8
601T32.2Very low33.4Very low129 Ų129150.1 Ų150.179%0.79180%0.799SS**PPolyproline II helixtrans-74.3133-172.139.60000113.7
602P32.9Very low33.4Very low121 Ų121150.2 Ų150.279%0.78680%0.799SS**PPolyproline II helixtrans-79158.8156.6-9.427.6000111.2
603K26Very low32.9Very low202 Ų202149.7 Ų149.788%0.87881%0.806SS**PPolyproline II helixtrans-81.5152.7169.2-84.3-178.5173.7179.20111.2
604P31.3Very low32.4Very low133 Ų133146.3 Ų146.386%0.86480%0.796SS**PPolyproline II helixtrans-74.6146.1178.231.5-35.4000112.3
605G25.5Very low31.9Very low71 Ų71150.2 Ų150.273%0.73280%0.802SS**  trans-152.2139.9170.700000110.7
606Y39.3Very low30.8Very low233 Ų233146.5 Ų146.591%0.91479%0.794SS**  trans-84.3139.5175.9-110.6-97.7000110.6
607P32.3Very low30.6Very low109 Ų109146.4 Ų146.471%0.70879%0.793SS**  -135151.8122.238.3-28.1000110.6
608S24.4Very low30.8Very low119 Ų119145.5 Ų145.583%0.83280%0.796SS**  cis72.7140.940.6-157.20000113.9
609S30.4Very low30.3Very low106 Ų106138.8 Ų138.874%0.74179%0.788SS**  trans-104.7178.6-167.4-165.90000113.2
610E26.2Very low29.7Very low193 Ų193137.5 Ų137.590%0.90278%0.783SS**  trans83.3158.8167.4-67.5-179.472.900118.8
611E25.9Very low29.5Very low173 Ų173136.3 Ų136.381%0.80878%0.778SS**  trans-128.4-151-155.1-158.9-143.4138.500111
612P41.3Very low29.1Very low102 Ų102137.2 Ų137.266%0.66277%0.773SS**  -87.6163.3-110.438.4-32.5000115.2
613S23.4Very low28.6Very low124 Ų124139.1 Ų139.187%0.86777%0.772SS**  trans-145.1164.4145.2-165.90000110.5
614S28.2Very low28.8Very low95 Ų95135.9 Ų135.966%0.66476%0.764SS**  trans-141.6147.7-166.5590000112.5
615K28.2Very low28.9Very low174 Ų174135.4 Ų135.476%0.75776%0.761SS**  trans159.1146131.8-87.9164.6173.3-162.80115.3
616E26.2Very low29.1Very low151 Ų151139.4 Ų139.471%0.70676%0.76SS**  trans62.9112.5138.7-67.317377.400123.7
617V32.5Very low29.1Very low134 Ų134133.5 Ų133.581%0.81275%0.75SS**  80.1147.1122173.50000118.9
618P45.6Very low28.7Very low118 Ų118133.8 Ų133.877%0.76675%0.75SS**  trans-121.3-159.5-155.144.1-29.8000115.2
619S22.7Very low28.7Very low112 Ų112133.1 Ų133.178%0.78375%0.745SS**  trans90.6149.7177.7-135.70000114
620C20.4Very low28.6Very low93 Ų93134 Ų13463%0.62875%0.751SS**  cis-152.7140.93.3-147.60000113.4
621K24.8Very low28.7Very low170 Ų170128.8 Ų128.874%0.73975%0.749SS**  trans36.7150.1141.2-68.4-178.2-168.6179.60125.1
622Q24.7Very low28.8Very low148 Ų148124.2 Ų124.269%0.69275%0.749SS**  trans74.3153.3145.3-77.8165.4-95.200118
623E22.3Very low28.4Very low162 Ų162129.3 Ų129.376%0.75776%0.76SS**  cis-140.7169.64.3-148.516011600114
624L28.8Very low29.3Very low134 Ų134129.9 Ų129.970%0.70276%0.761SS**  trans-109.2141.8173.617358.2000108
625P34.4Very low29.8Very low123 Ų123136.6 Ų136.680%0.79977%0.772SS**  -145129.2116.331.1-12.6000116
626E28.6Very low30.1Very low155 Ų155138 Ų13872%0.72478%0.778SS**  trans-62.2178.1145.8-120.3-167.399.400110.3
627P40.5Very low30.4Very low108 Ų108134.2 Ų134.270%0.70178%0.78SS**  cis-158.3-168.946.331.3-2000118.7
628V23.4Very low30.5Very low115 Ų115137.7 Ų137.770%0.69778%0.784SS**  trans97.695.9149.7-166.50000120.6
629S25.2Very low30Very low105 Ų105142.3 Ų142.373%0.73479%0.786SS**  41.4121.3125.9-50.80000123.1
630S28.3Very low30.5Very low125 Ų125144.8 Ų144.887%0.87479%0.785SS**  163.1147.7108.9-71.80000111.1
631G26.6Very low30.9Very low83 Ų83143.4 Ų143.486%0.85679%0.787SS**  cis131.676.1-0.100000112.8
632G28.3Very low31.3Very low78 Ų78140.9 Ų140.980%0.80479%0.791SS**  trans177.9126.817600000117.5
633K33.5Very low31.6Very low208 Ų208143.2 Ų143.290%0.90480%0.802SS**  trans-134.3143.4156.9-71.4178.1-179.7171.90107.8
634P42.8Very low31.9Very low137 Ų137140.1 Ų140.189%0.8980%0.804SS**  trans-136.8-171.5140.830.7-13.2000114
635R37.7Very low32.1Very low236 Ų236142.9 Ų142.989%0.89181%0.81SS**  trans-131.6146.4-164.7-76.6169.5118.2-170.85.8113.4
636K35.7Very low31.9Very low203 Ų203146 Ų14688%0.88381%0.811SS**  70.4129129.8-178.6-171.6175.6-172.80122.5
637G31.1Very low32Very low72 Ų72143.3 Ų143.374%0.74281%0.809SS**  trans147.3133.5152.600000111.6
638K34.2Very low31.4Very low206 Ų206147 Ų14790%0.89682%0.817SS**  cis85.882.42-154.9-173.9179.2-179.40120.4
639R35.6Very low31.5Very low216 Ų216146.4 Ų146.482%0.81582%0.824SS**  trans-148.4139.2146.4-98.7-169.9171.8-150.1-4.1107.2
640Q33.3Very low31.6Very low163 Ų163146.6 Ų146.676%0.76283%0.826SS**  71.9124.868.7-168.4-175.223.600112.3
641G28.9Very low32.4Very low65 Ų65146.7 Ų146.767%0.6782%0.823SS**  cis173-179.4-5.700000114.1
642S33.7Very low32.5Very low117 Ų117146.8 Ų146.882%0.81882%0.816SS**  trans59.3107.6155.657.10000125
643Q30.6Very low32.7Very low197 Ų197149.1 Ų149.192%0.92182%0.817SS**  66.2153.8124.6-77.2-154.35.300126.9
644A29.8Very low32.5Very low96 Ų96150.6 Ų150.679%0.79382%0.817SS**  trans87.7152.5153.600000120
645K32.3Very low33.2Very low193 Ų193149.6 Ų149.684%0.83981%0.81SS**  cis-173.8160.9-26.6-177.4169.8177.9178.30109.7
646K30.7Very low33.5Very low188 Ų188144.7 Ų144.782%0.81781%0.809SS**  trans80.7134.6-178.7-64.7-169.4172.5-172.20114.4
647S29.9Very low33.4Very low98 Ų98140 Ų14069%0.68581%0.807SS**  cis87.4139.735.786.70000113.2
648E27.6Very low33.2Very low187 Ų187141.5 Ų141.587%0.87481%0.807SS**  cis-162.9151.518.3-171.7-17813100111.9
649A26.4Very low33.1Very low101 Ų101139.3 Ų139.384%0.83580%0.804SS**  trans-174.9154.7153.400000112.7
650S27.6Very low32.6Very low110 Ų110137.5 Ų137.577%0.76981%0.805SS**  trans-148.9157.9172.1-170.40000110
651P44.7Very low32.8Very low127 Ų127136 Ų13683%0.82581%0.807SS**  -147.9176.4105.238.8-22.8000115.4
652A28.5Very low33.6Very low84 Ų84137.8 Ų137.869%0.69481%0.807SS**  trans-110.6168.9171.400000111.9
653P33.1Very low33.2Very low128 Ų128137.7 Ų137.783%0.83181%0.806SS**  -141.7-173109.137.6-23.4000114.5
654R28.8Very low33.2Very low239 Ų239132.5 Ų132.590%0.90280%0.796SS**  trans-119.8-152.3176.6-59.1-177.9163.2-165.5-2.2112.5
655P57.6Low33.2Very low116 Ų116137.8 Ų137.875%0.75380%0.802SS**  trans-106.7-168.8-134.936.8-14.9000113.5
656P43.7Very low32.9Very low133 Ų133132.2 Ų132.286%0.86480%0.799SS**  -150.2-170108.940.5-24.2000115.1
657A33.5Very low32.9Very low103 Ų103132.8 Ų132.885%0.85181%0.805SS**  trans-140.7152.717000000111.4
658S26.8Very low32.9Very low105 Ų105134.9 Ų134.973%0.73481%0.813SS**  trans-165.2119.1173.5-170.50000107.5
659L31.8Very low33Very low160 Ų160130.7 Ų130.784%0.83881%0.81SS**  60.6114.778.6-71.2171.7000115.5
660E24.8Very low33.1Very low177 Ų177129.2 Ų129.283%0.82781%0.805SS**  -164.2149.2125.5-102.6-129.284.300112.8
661V37.6Very low33.8Very low132 Ų132129.7 Ų129.780%0.881%0.805SS**  trans-162.9124.6180171.40000105.4
662P46Very low32.9Very low103 Ų103133.3 Ų133.367%0.66981%0.808SS**  -165.5171.797.241.6-19.9000120.4
663S26.3Very low32.9Very low115 Ų115137.7 Ų137.780%0.80481%0.814SS**  113.2139.3124.9-138.30000123.3
664A30.7Very low33.2Very low87 Ų87137 Ų13772%0.71981%0.81SS**  trans70.487.914100000124.8
665K28Very low33.1Very low208 Ų208129.3 Ų129.390%0.90481%0.805SS**  63.681.3104.5-161.7-177.7-177.3-179.10121.7
666G27.5Very low31.6Very low76 Ų76133 Ų13378%0.78481%0.809SS**  87.3147.3113.100000122.7
667Q29.3Very low30.7Very low200 Ų200133.5 Ų133.594%0.93581%0.809SS**  trans-160-179.5151.1-117-17762.400111.8
668V30.1Very low30.4Very low141 Ų141136.5 Ų136.586%0.85581%0.81SS**  trans-138.1132.3-156.3178.30000114
669A29.8Very low30.4Very low100 Ų100139.3 Ų139.383%0.82681%0.812SS**  trans-165.3147.1149.500000112.1
670G28.4Very low31.3Very low69 Ų69136.8 Ų136.871%0.71180%0.804SS**  trans-105.4-165.4164.200000111.3
671P43.3Very low32Very low121 Ų121134 Ų13479%0.78680%0.802SS**  cis-150.2-1774044.2-24.6000118
672K25.7Very low31.7Very low203 Ų203137.5 Ų137.588%0.88381%0.806SS**  trans74.7130.5157.7-75.3176.9178.4178.60120.7
673Q29.1Very low30.8Very low176 Ų176139.4 Ų139.482%0.82282%0.816SS**  trans-101-175.8169.7-74.8-90.3-30.300109
674P39.3Very low30.8Very low114 Ų114137.2 Ų137.274%0.7481%0.811SS**  cis-129.4176-9.525.5-3.2000114.2
675G25.6Very low30.8Very low77 Ų77138.9 Ų138.979%0.79482%0.818SS**  trans-167.9122.1161.300000112.4
676K27.2Very low31Very low194 Ų194134.8 Ų134.884%0.84381%0.814SS**  trans-161130.5177.745.2-179.4169.7-1770112.4
677V23.3Very low31.3Very low143 Ų143135.5 Ų135.587%0.86781%0.807SS**  trans-167.3153.3159.1130.90000109
678L28.4Very low31.2Very low166 Ų166134.6 Ų134.687%0.86980%0.802SS**  trans-148.2119.8178.8-111165.3000108.1
679E27.2Very low31.3Very low164 Ų164132.6 Ų132.677%0.76680%0.801SS**  trans55.5179.6177.8-88.3-138.188.500115.7
680P49Very low31.2Very low106 Ų106131 Ų13169%0.68879%0.794SS**  cis-111.2-150.3-5.339.6-21.2000110.3
681P41.1Very low31.3Very low120 Ų120137.6 Ų137.678%0.77981%0.807SS**  cis-138.1-150-0.644.8-23.2000115.6
682K29.9Very low30.4Very low205 Ų205134.9 Ų134.989%0.89180%0.801SS**  trans-143.1153.7-174.5179.8179.6-178.5178.60111.2
683V27.7Very low30.6Very low143 Ų143131.4 Ų131.487%0.86780%0.802SS**  trans-149.4150.3172.467.30000109.3
684G25.6Very low30.7Very low69 Ų69134.8 Ų134.871%0.71181%0.807SS**  cis-166.1-178.2-5.500000111.6
685S32Very low30Very low122 Ų122133 Ų13385%0.85381%0.809SS**  trans-160.8155.1177.6-177.30000110.8
686C31.4Very low30.2Very low121 Ų121135.6 Ų135.682%0.81882%0.816SS**  trans-170.5157.2171.9-104.70000109
687S33.2Very low30.5Very low91 Ų91137.2 Ų137.264%0.63682%0.816SS**  cis-135.6-171.20.7-59.40000108.7
688E28.6Very low31.1Very low181 Ų181136.3 Ų136.385%0.84681%0.813SS**  cis-152.81689.4-158.6136.1107.200113.7
689A32.1Very low30.9Very low99 Ų99131.2 Ų131.282%0.81880%0.801SS**  trans-68.5-173.3-17600000116.3
690G26.4Very low32.1Very low67 Ų67129.2 Ų129.269%0.69180%0.802SS**  cis-158.61614.700000112.1
691E30.1Very low30.9Very low208 Ų208126.6 Ų126.697%0.97279%0.794SS**  6512898.1-163.3170.7139.400115.2
692G26.4Very low30.2Very low64 Ų64132.1 Ų132.166%0.6680%0.799SS**  cis176.2-1492.300000113.4
693S29.1Very low30.2Very low130 Ų130127.5 Ų127.591%0.90980%0.8SS**  trans79.8169.5171-67.20000120.1
694R30.2Very low30Very low246 Ų246124.4 Ų124.493%0.92880%0.797SS**  trans-144.8131.2-150.9-57.4170.9-176.7-104.1-1.1115.4
695G26.2Very low30.4Very low76 Ų76126.6 Ų126.678%0.78480%0.801SS**  trans71.5133.813100000121.8
696S29.8Very low31Very low133 Ų133126.7 Ų126.793%0.9380%0.799SS**  trans-167.5159.9141.5-86.50000111.2
697R33.7Very low30.8Very low228 Ų228129.1 Ų129.186%0.8680%0.796SS**  trans-140141174.3-150.7-174.9-156.6-89.54.8107.9
698P34.2Very low30.7Very low123 Ų123130.4 Ų130.480%0.79980%0.8SS**  -142.3176.3122.237.8-24.6000113.7
699G25.4Very low30.6Very low59 Ų59128.4 Ų128.461%0.60879%0.791SS**  trans-131.5-157.1152.500000107.2
700P51.2Low30.6Very low123 Ų123131.7 Ų131.780%0.79979%0.786SS**  cis-128.7-165.3-2.342.8-26.9000112.3
701G24.5Very low30.8Very low50 Ų50135 Ų13552%0.51578%0.784SS.*  trans150.3116.9154.400000118.1
702W27.5Very low30.8Very low236 Ų236133.2 Ų133.289%0.89477%0.773SS**  trans20.2128144.8-36-71.3000120.1
703A28.9Very low30.7Very low108 Ų108133.2 Ų133.289%0.89377%0.773SS**  cis92.41304400000115
704G23.7Very low30.7Very low79 Ų79133 Ų13381%0.81477%0.772SS**  trans177.5129.9174.600000113.3
705S33.7Very low30.4Very low115 Ų115125.7 Ų125.780%0.80476%0.758SS**  trans-127.8156.5174.1-52.30000109.8
706P44Very low30.5Very low123 Ų123133.1 Ų133.180%0.79976%0.762SS**  -118.2157.1105.3-6.627.4000112.4
707K28.6Very low30.4Very low172 Ų172138.2 Ų138.275%0.74876%0.761SS**  68.1135.757-118-169.5176.3-1750111.9E709K707-E709 WeakPolarHBondContact CE-OE2 3.24Å; K707-E709 WeakPolarHBondContact CG-OE2 3.31Å
708T31.4Very low30.1Very low119 Ų119133.5 Ų133.573%0.7375%0.753SS**  cis-153.4166.120.538.60000110.5
709E26.4Very low29.8Very low139 Ų139138.2 Ų138.265%0.6576%0.755SS**  cis-177.5154.2-34-131.8169.592.100109.7K707K707-E709 WeakPolarHBondContact CE-OE2 3.24Å; K707-E709 WeakPolarHBondContact CG-OE2 3.31Å
710K30.6Very low30.4Very low167 Ų167141.6 Ų141.673%0.72677%0.767SS**  trans74.5118.2151.3-137.1160.1-176172.20120.2
711E31.4Very low29.1Very low136 Ų136138.6 Ų138.664%0.63676%0.758SS**  65.6146.482.1-107.7-153.2126.300115.5
712K29Very low29.5Very low172 Ų172145.7 Ų145.775%0.74878%0.777SS**  cis-175.9126.1-19.9164.6-177.180.2-157.30112.2
713G26.2Very low29.6Very low63 Ų63138.1 Ų138.165%0.64977%0.765SS**  trans68.4169.7144.300000121.3
714S28Very low29.4Very low127 Ų127142.9 Ų142.989%0.88877%0.766SS**  trans68.5162.5172.987.60000115.3
715S24.5Very low29.5Very low92 Ų92143.7 Ų143.764%0.64377%0.765SS**  cis-174.2120.2-21.4154.50000110.1
716W26.8Very low29.2Very low231 Ų231148.8 Ų148.888%0.87577%0.767SS**  trans49126159.7-6674.4000120.5
717R29.2Very low28.8Very low240 Ų240148.2 Ų148.291%0.90676%0.763SS**  trans-163.6179132.2-80.5-130.9-179.9-86.3-7.6110.3
718N27.5Very low28.7Very low129 Ų129146.9 Ų146.969%0.6976%0.759SS**  trans-108.8164.6-160.1-78.5-90.2000115.5
719W27.6Very low28.5Very low222 Ų222147.8 Ų147.884%0.84176%0.755SS**  trans1.3149.4145-61.5117.9000120.1
720P36.9Very low28.5Very low131 Ų131149.3 Ų149.385%0.85176%0.762SS**  -139.4-179.750.437.9-18.3000116.2
721G25.7Very low28.2Very low60 Ų60149.6 Ų149.662%0.61977%0.766SS**  cis163.9171.9-8.900000114
722E32.2Very low27.9Very low198 Ų198147.5 Ų147.593%0.92577%0.767SS**  trans63.1148.2163.8-77.2-16176.200120.9
723A29.1Very low27.6Very low77 Ų77146.1 Ų146.164%0.63677%0.772SS**  cis-165177.4-5.600000113.5
724K24.3Very low27.5Very low208 Ų208151.9 Ų151.990%0.90478%0.782SS**  trans93.2127.8152.5-152.8175.8-170.4171.20117.1
725A26.7Very low29.1Very low96 Ų96150.8 Ų150.879%0.79377%0.772SS**  cis-161.5166-17.600000111.1
726R27.2Very low29.7Very low223 Ų223152.5 Ų152.584%0.84278%0.781SS**  trans-137.1160.2173.7-150.3-164.4-172.1-1583.4110.7
727P35.9Very low29.6Very low110 Ų110144.8 Ų144.871%0.71477%0.773SS**  -127.8148.8124.5319.1000111.9
728Q26.1Very low30.6Very low144 Ų144139.5 Ų139.567%0.67377%0.77SS**  cis83.212634-166.6179.2-4.400111.8
729E26.4Very low30.5Very low139 Ų139138.4 Ų138.465%0.6578%0.779SS**  cis-130.4-142.37.2-134.7161.369.500110.6
730Q27.9Very low30.6Very low171 Ų171137.6 Ų137.680%0.79978%0.775SS**  cis-148.2-146.61.3-150.4150.665.600112
731E22.8Very low30.7Very low173 Ų173136 Ų13681%0.80877%0.765SS**  trans-149.6159.3-158.8-161.3-157.881.900115.4
732S24.8Very low31Very low92 Ų92140.5 Ų140.564%0.64377%0.77SS**  120.1153127.1-134.20000122.8
733V24.3Very low30.7Very low143 Ų143136.8 Ų136.887%0.86777%0.766SS**  trans84.7159164-1640000120.7
734Q24.4Very low30.8Very low184 Ų184140.8 Ų140.886%0.8678%0.776SS**  trans-120.1179.3-156.5-112.6-153.4-0.800115.8
735P59.8Low31.7Very low104 Ų104135.7 Ų135.768%0.67576%0.764SS**  trans-95.6-177.5-165.641.9-40.8000115.8
736P38.7Very low32.1Very low128 Ų128140.5 Ų140.583%0.83177%0.77SS**  -151.7-179.997.640.8-22.8000116.5
737G23.1Very low32.4Very low68 Ų68133.7 Ų133.770%0.70177%0.769SS**  trans-97-154166.500000113.3
738P50.2Low32.6Very low130 Ų130139 Ų13984%0.84478%0.781SS**  cis-142.6-166.25.243.8-24.3000116.4
739A26.9Very low32.9Very low106 Ų106135.9 Ų135.988%0.87679%0.787SS**  trans106.1154.3150.100000122.4
740R28.7Very low33.7Very low204 Ų204141 Ų14177%0.7780%0.8SS**  trans-93.3-175-171.8-119.4-170.3163.9-141.94.5111.6
741P40.4Very low34.1Very low98 Ų98137.5 Ų137.564%0.63679%0.794SS**  cis-143166.11240.3-19.2000120.4
742Q30.1Very low35.1Very low155 Ų155139.7 Ų139.772%0.72480%0.795SS**  trans35.5129.4141.3-62172.4-8800124
743S27.1Very low35.9Very low119 Ų119146.1 Ų146.183%0.83281%0.805SS**  -177.3163115.552.20000114.9
744L29.9Very low36.8Very low162 Ų162143.9 Ų143.985%0.84880%0.796SS**  trans-97.8-170.3170.1-73.485.2000110.2
745P45.3Very low37.7Very low100 Ų100146 Ų14665%0.64980%0.796SS**  cis-136.4179.6-8.127-2.2000116.7
746Q35.1Very low36.5Very low198 Ų198147 Ų14793%0.92580%0.796SS**  trans51.8133.9145.1-76.1174-99.300123.2
747G32.9Very low36.6Very low79 Ų79148.5 Ų148.581%0.81479%0.79SS**  trans-161.1125.2154.600000113.3
748K38.8Very low37.9Very low222 Ų222152.5 Ų152.597%0.96579%0.79SS**  trans-115.6125.8172.6-85.2176174.41710109.6
749G34.4Very low37.3Very low78 Ų78155 Ų15580%0.80479%0.79SS**  trans-140.6157.917700000111.4
750R41.3Very low38.8Very low248 Ų248158.9 Ų158.994%0.93679%0.788SS**  trans-129.7139.5-167.1-75.3-178.7163.3-169.8-3.7114.2
751S38.1Very low40Very low96 Ų96155.1 Ų155.167%0.67179%0.789SS**  80.3117.7128.5165.30000122.1
752R43.2Very low40.2Very low219 Ų219155.1 Ų155.183%0.82680%0.797SS**  101.1138129.1-87.3173.8-179.5-177.4-0.9121.3
753R42.4Very low41.1Very low227 Ų227152.7 Ų152.786%0.85780%0.798SS**  trans73.6144.2160.1-69.8179.5-177.8-156.70.6116.1
754S42.6Very low42.4Very low96 Ų96151 Ų15167%0.67179%0.786SS**  cis-176.1152.5-14.250.40000111.8
755R42.2Very low43.9Very low228 Ų228149.8 Ų149.886%0.8678%0.78SS**  trans68.1132.9150.8-147.6171-173.5-160.95.3114
756N35.9Very low44.4Very low126 Ų126151.1 Ų151.167%0.67478%0.781SS**  cis-160.6162.825.5-147.916.4000112.5
757K39.4Very low45.4Very low160 Ų160147 Ų14770%0.69677%0.765SS**  trans64.7112.9139.9-166.7169.4-179.9-175.30120.7
758Q50.5Low46.8Very low152 Ų152148.4 Ų148.471%0.7176%0.758SS**  trans71.698.5138.6-172.1179.1-1800119.1
759E37.8Very low47.6Very low181 Ų181146.1 Ų146.185%0.84675%0.749SS**  -160.2166.4107.3-123.4173.197.600113.2
760K59.3Low48.7Very low189 Ų189147.8 Ų147.882%0.82274%0.738SS**  trans-128.1156.6159.4-82.1-175.8175.8-176.10105.3
761P53.2Low49.4Very low124 Ų124141 Ų14181%0.80573%0.727SS**  cis-129.3165.5640.1-26000114.5
762A44.8Very low50Low98 Ų98145.4 Ų145.481%0.8173%0.734SS**  trans-158.6118.4144.600000108.6
763S49.7Very low50.3Low104 Ų104141.5 Ų141.573%0.72773%0.729SS**  trans-67130.1155.741.70000107.4
764S53Low50.7Low84 Ų84137.4 Ų137.459%0.58772%0.722SS**  trans-66.4146.1-17442.90000112.3D766 D767S764-D766 PolarHBondContact O-N 3.32Å; S764-D767 WeakPolarHBondContact O-CB 3.44Å; S764-D767 PolarHBondContact O-N 3.21Å
765L61.5Low50.9Low137 Ų137140 Ų14072%0.71773%0.728SS**G310 helixtrans-51.3-27.8180-16181.3000114.1D767 V768L765-D767 PolarHBondContact O-N 2.87Å; L765-V768 WeakPolarHBondContact O-CB 3.12Å; L765-V768 WeakPolarHBondContact O-CG2 3.45Å; L765-V768 PolarHBondContact O-N 3.22Å; L765-V768 VanDerWaalsContact O-N 3.1Å
766D56.5Low51.4Low128 Ų128132.7 Ų132.768%0.68472%0.723SS**G310 helixtrans-52.1-34.2172.9-96-134.3000113.9S764 V768 F769 L770S764-D766 PolarHBondContact O-N 3.32Å; D766-V768 PolarHBondContact O-N 2.9Å; D766-V768 VanDerWaalsContact O-N 3.09Å; D766-F769 PolarHBondContact O-N 3.4Å; D766-L770 PolarHBondContact O-N 2.8Å
767D56.1Low52.3Low110 Ų110131.7 Ų131.759%0.58872%0.722SS**G310 helixtrans-73-0-178-146.924.1000112.7S764 L765S764-D767 WeakPolarHBondContact O-CB 3.44Å; S764-D767 PolarHBondContact O-N 3.21Å; L765-D767 PolarHBondContact O-N 2.87Å
768V62.4Low53.4Low110 Ų110131.2 Ų131.267%0.66772%0.722SS**G310 helixtrans-96.4-18.6171.9-171.60000111.6L765 D766L765-V768 WeakPolarHBondContact O-CB 3.12Å; L765-V768 WeakPolarHBondContact O-CG2 3.45Å; L765-V768 PolarHBondContact O-N 3.22Å; L765-V768 VanDerWaalsContact O-N 3.1Å; D766-V768 PolarHBondContact O-N 2.9Å; D766-V768 VanDerWaalsContact O-N 3.09Å
769F54.4Low54.6Low173 Ų173127.7 Ų127.776%0.75971%0.706SS**THydrogen-bonded Turntrans-110.3-7.6-178.8-73.4-76.2000114.4D766D766-F769 PolarHBondContact O-N 3.4Å
770L58.8Low56.7Low113 Ų113123 Ų12359%0.59269%0.687SS**SBendtrans-62.4127.6155.2-72.8170.5000108.2D766 K772D766-L770 PolarHBondContact O-N 2.8Å; L770-K772 PolarHBondContact O-N 3.29Å
771P55.3Low57.9Low106 Ų106120 Ų12069%0.68868%0.676SS**  trans-52.2131.3170.2-24.734.4000108.8D773P771-D773 PolarHBondContact O-N 2.86Å
772K52.1Low59.6Low188 Ų188118.6 Ų118.682%0.81767%0.665SS**  trans-60.1112.3176.1-165.170.9172.7179.90107.4L770 M774L770-K772 PolarHBondContact O-N 3.29Å; K772-M774 PolarHBondContact O-N 2.87Å
773D48.8Very low61.9Low138 Ų138117 Ų11774%0.73864%0.643SS**  trans-62.391.8173.5-74.9-50.5000108.3P771 D775P771-D773 PolarHBondContact O-N 2.86Å; D773-D775 PolarHBondContact O-N 3.47Å
774M50.8Low64Low141 Ų141115.3 Ų115.370%0.69562%0.621SS**  trans-77.963.3171.2-81.5-115.955.200108.1K772 G776 V777K772-M774 PolarHBondContact O-N 2.87Å; M774-G776 PolarHBondContact O-N 3.13Å; M774-G776 VanDerWaalsContact O-N 3.12Å; M774-V777 HydrophobicContact CE-CG2 4.46Å
775D45.7Very low65.9Low151 Ų151117.9 Ų117.981%0.80762%0.624SS**THydrogen-bonded Turntrans-49.9116.3172.2-83.7-47.9000109.6D773D773-D775 PolarHBondContact O-N 3.47Å
776G53Low67.4Low74 Ų74114.1 Ų114.176%0.76361%0.606SS**THydrogen-bonded Turntrans73.643.9166.700000116.3M774 E778M774-G776 PolarHBondContact O-N 3.13Å; M774-G776 VanDerWaalsContact O-N 3.12Å; G776-E778 PolarHBondContact O-N 2.72Å
777V56.2Low69.1Low105 Ų105111.7 Ų111.764%0.63659%0.591SS**  trans-66.888.3133.5179.10000106.1M774 M779M774-V777 HydrophobicContact CE-CG2 4.46Å; V777-M779 PolarHBondContact O-N 2.94Å
778E62Low70.8Confident149 Ų149114.4 Ų114.470%0.69659%0.594SS**  trans-62.2104.8165.8-178.5177.2178.300106.8G776 D780 R784G776-E778 PolarHBondContact O-N 2.72Å; E778-D780 PolarHBondContact O-N 3.37Å; E778-R784 IonicContact OE1-NH2 3.66Å; E778-R784 PolarHBondContact OE1-NH2 3.32Å
779M75.4Confident72.2Confident79 Ų79115.7 Ų115.739%0.38959%0.591SS.*  trans-49.7113.9166.5-68.1-73.1-69.500106.9V777 D783 R784V777-M779 PolarHBondContact O-N 2.94Å; M779-D783 HydrophobicContact CE-CB 4Å; M779-D783 WeakPolarHBondContact CE-OD2 3.36Å; M779-R784 PolarHBondContact O-NE 3.05Å; M779-R784 PolarHBondContact O-NH2 3.02Å
780D81.9Confident73.8Confident83 Ų83112.8 Ų112.844%0.44458%0.578SS.*  trans-62.9163-173.770.7-99.8000110.6E778 T782 D783 R784E778-D780 PolarHBondContact O-N 3.37Å; D780-T782 PolarHBondContact O-N 2.74Å; D780-T782 VanDerWaalsContact O-N 3.12Å; D780-T782 VanDerWaalsContact OD2-CA 3.31Å; D780-T782 WeakPolarHBondContact OD2-CA 3.32Å; D780-T782 WeakPolarHBondContact OD2-CB 3.08Å; D780-T782 PolarHBondContact OD2-N 3.4Å; D780-T782 PolarHBondContact OD2-OG1 3.48Å; D780-D783 PolarHBondContact O-N 2.89Å; D780-D783 VanDerWaalsContact O-N 3.08Å; D780-D783 PolarHBondContact OD2-N 2.82Å; D780-D783 VanDerWaalsContact OD2-N 3.11Å; D780-R784 WeakPolarHBondContact O-CB 3.42Å; D780-R784 PolarHBondContact O-N 2.88Å
781E85.3Confident75.4Confident125 Ų125114.7 Ų114.758%0.58458%0.577SS**Hα-helixtrans-58-32.6-173.8-155.169.6-105.300112R784 E785E781-R784 WeakPolarHBondContact OE1-CD 3.09Å; E781-R784 IonicContact OE1-CZ 2.65Å; E781-R784 IonicContact OE1-NE 2.61Å; E781-R784 IonicContact OE1-NH1 3.84Å; E781-R784 PolarHBondContact OE1-NH1 3.43Å; E781-R784 IonicContact OE2-CZ 2.91Å; E781-R784 IonicContact OE2-NH1 3.68Å; E781-R784 PolarHBondContact OE2-NH1 3.24Å; E781-E785 WeakPolarHBondContact O-CB 3.49Å; E781-E785 PolarHBondContact O-N 2.68Å
782T88.1Confident77Confident95 Ų95116.2 Ų116.258%0.58357%0.573SS**Hα-helixtrans-66.5-51.6174.5-140000111.2D780 R784 E785 V786D780-T782 PolarHBondContact O-N 2.74Å; D780-T782 VanDerWaalsContact O-N 3.12Å; D780-T782 VanDerWaalsContact OD2-CA 3.31Å; D780-T782 WeakPolarHBondContact OD2-CA 3.32Å; D780-T782 WeakPolarHBondContact OD2-CB 3.08Å; D780-T782 PolarHBondContact OD2-N 3.4Å; D780-T782 PolarHBondContact OD2-OG1 3.48Å; T782-R784 VanDerWaalsContact C-N 3.26Å; T782-R784 PolarHBondContact O-N 2.86Å; T782-E785 PolarHBondContact O-N 2.96Å; T782-V786 VanDerWaalsContact O-CB 3.27Å; T782-V786 WeakPolarHBondContact O-CB 3.42Å; T782-V786 WeakPolarHBondContact O-CG2 3.09Å; T782-V786 PolarHBondContact O-N 3.25Å
783D92.2Very high78.7Confident64 Ų64110 Ų11034%0.34255%0.552SS.*Hα-helixtrans-70.9-27.9-175.6-147.230.4000111.7M779 D780 E787M779-D783 HydrophobicContact CE-CB 4Å; M779-D783 WeakPolarHBondContact CE-OD2 3.36Å; D780-D783 PolarHBondContact O-N 2.89Å; D780-D783 VanDerWaalsContact O-N 3.08Å; D780-D783 PolarHBondContact OD2-N 2.82Å; D780-D783 VanDerWaalsContact OD2-N 3.11Å; D783-E787 PolarHBondContact O-N 3.34Å
784R93.8Very high80.3Confident68 Ų68108.5 Ų108.526%0.25754%0.544SS..Hα-helixtrans-69.5-45.8170-165.5-171.9-51.5155.6-2.5112.4E778 M779 D780 E781 T782 V786 E787 Y788E778-R784 IonicContact OE1-NH2 3.66Å; E778-R784 PolarHBondContact OE1-NH2 3.32Å; M779-R784 PolarHBondContact O-NE 3.05Å; M779-R784 PolarHBondContact O-NH2 3.02Å; D780-R784 WeakPolarHBondContact O-CB 3.42Å; D780-R784 PolarHBondContact O-N 2.88Å; E781-R784 WeakPolarHBondContact OE1-CD 3.09Å; E781-R784 IonicContact OE1-CZ 2.65Å; E781-R784 IonicContact OE1-NE 2.61Å; E781-R784 IonicContact OE1-NH1 3.84Å; E781-R784 PolarHBondContact OE1-NH1 3.43Å; E781-R784 IonicContact OE2-CZ 2.91Å; E781-R784 IonicContact OE2-NH1 3.68Å; E781-R784 PolarHBondContact OE2-NH1 3.24Å; T782-R784 VanDerWaalsContact C-N 3.26Å; T782-R784 PolarHBondContact O-N 2.86Å; R784-V786 VanDerWaalsContact C-N 3.32Å; R784-E787 PolarHBondContact O-N 3.43Å; R784-Y788 HydrophobicContact CG-CD2 4.35Å; R784-Y788 HydrophobicContact CG-CE2 4.12Å; R784-Y788 VanDerWaalsContact O-CD2 3.25Å; R784-Y788 WeakPolarHBondContact O-CD2 3.26Å; R784-Y788 PolarHBondContact O-N 3.5Å
785E92.9Very high81.4Confident139 Ų139106 Ų10665%0.6553%0.533SS*.Hα-helixtrans-65.1-37.5174.5-174.1167.5-124.200111.2E781 T782 Y788 F789E781-E785 WeakPolarHBondContact O-CB 3.49Å; E781-E785 PolarHBondContact O-N 2.68Å; T782-E785 PolarHBondContact O-N 2.96Å; E785-Y788 PolarHBondContact O-N 2.05Å; E785-F789 WeakPolarHBondContact O-CB 3.2Å; E785-F789 PolarHBondContact O-N 3.2Å
786V93.4Very high82.5Confident57 Ų57101.6 Ų101.635%0.34551%0.514SS..Hα-helixtrans-63.8-38.6170.4164.10000111.5T782 R784 F789 K790T782-V786 VanDerWaalsContact O-CB 3.27Å; T782-V786 WeakPolarHBondContact O-CB 3.42Å; T782-V786 WeakPolarHBondContact O-CG2 3.09Å; T782-V786 PolarHBondContact O-N 3.25Å; R784-V786 VanDerWaalsContact C-N 3.32Å; V786-F789 PolarHBondContact O-N 3Å; V786-K790 HydrophobicContact CG1-CD 3.97Å; V786-K790 VanDerWaalsContact CG1-NZ 3.28Å; V786-K790 WeakPolarHBondContact O-CB 3.36Å; V786-K790 WeakPolarHBondContact O-CD 3.2Å; V786-K790 WeakPolarHBondContact O-CG 3.37Å; V786-K790 PolarHBondContact O-N 3.23Å
787E92.9Very high82.9Confident78 Ų78102.1 Ų102.136%0.36451%0.512SS..Hα-helixtrans-68.4-40.1173.8-146.6-144.8121.200112.4D783 R784 F789 K790 R791D783-E787 PolarHBondContact O-N 3.34Å; R784-E787 PolarHBondContact O-N 3.43Å; E787-F789 VanDerWaalsContact C-N 3.33Å; E787-F789 PolarHBondContact O-N 3.09Å; E787-K790 PolarHBondContact O-N 2.82Å; E787-R791 WeakPolarHBondContact O-CB 3.19Å; E787-R791 PolarHBondContact O-N 3.25Å; E787-R791 IonicContact OE1-CZ 3.87Å; E787-R791 IonicContact OE1-NH1 2.82Å; E787-R791 PolarHBondContact OE1-NH1 2.85Å
788Y90.9Very high83.2Confident167 Ų167103.7 Ų103.766%0.65551%0.51SS*.Hα-helixtrans-59.3-42.8170.9-83.8-63.2000111.9R784 E785 R791 F792R784-Y788 HydrophobicContact CG-CD2 4.35Å; R784-Y788 HydrophobicContact CG-CE2 4.12Å; R784-Y788 VanDerWaalsContact O-CD2 3.25Å; R784-Y788 WeakPolarHBondContact O-CD2 3.26Å; R784-Y788 PolarHBondContact O-N 3.5Å; E785-Y788 PolarHBondContact O-N 2.05Å; Y788-R791 PolarHBondContact O-N 3.25Å; Y788-F792 WeakPolarHBondContact O-CB 3.33Å; Y788-F792 PolarHBondContact O-N 3.29Å
789F91.7Very high83Confident137 Ų137104.2 Ų104.260%0.60151%0.512SS*.Hα-helixtrans-64.1-46.7175.2-177.8-101.5000112E785 V786 E787 R791 F792 C793E785-F789 WeakPolarHBondContact O-CB 3.2Å; E785-F789 PolarHBondContact O-N 3.2Å; V786-F789 PolarHBondContact O-N 3Å; E787-F789 VanDerWaalsContact C-N 3.33Å; E787-F789 PolarHBondContact O-N 3.09Å; F789-R791 VanDerWaalsContact C-N 3.32Å; F789-R791 PolarHBondContact O-N 3.02Å; F789-F792 PolarHBondContact O-N 2.97Å; F789-C793 PolarHBondContact O-N 3.1Å; F789-C793 PolarHBondContact O-SG 2.98Å
790K89.9Confident82.2Confident112 Ų112107.1 Ų107.149%0.48754%0.535SS..Hα-helixtrans-54.5-46.4173.6-73.3161.3-178.8163.90110.9V786 E787 L794V786-K790 HydrophobicContact CG1-CD 3.97Å; V786-K790 VanDerWaalsContact CG1-NZ 3.28Å; V786-K790 WeakPolarHBondContact O-CB 3.36Å; V786-K790 WeakPolarHBondContact O-CD 3.2Å; V786-K790 WeakPolarHBondContact O-CG 3.37Å; V786-K790 PolarHBondContact O-N 3.23Å; E787-K790 PolarHBondContact O-N 2.82Å; K790-L794 WeakPolarHBondContact O-CB 3.5Å; K790-L794 VanDerWaalsContact O-CG 3.26Å; K790-L794 WeakPolarHBondContact O-CG 3.46Å; K790-L794 PolarHBondContact O-N 2.69Å; K790-L794 VanDerWaalsContact O-N 3.07Å
791R91.9Very high81.2Confident153 Ų153114.2 Ų114.258%0.57756%0.555SS**Hα-helixtrans-64.8-45175.7-95.4171146.2101.6-1.6112.7E787 Y788 F789 C793 L794 D795E787-R791 WeakPolarHBondContact O-CB 3.19Å; E787-R791 PolarHBondContact O-N 3.25Å; E787-R791 IonicContact OE1-CZ 3.87Å; E787-R791 IonicContact OE1-NH1 2.82Å; E787-R791 PolarHBondContact OE1-NH1 2.85Å; Y788-R791 PolarHBondContact O-N 3.25Å; F789-R791 VanDerWaalsContact C-N 3.32Å; F789-R791 PolarHBondContact O-N 3.02Å; R791-C793 PolarHBondContact O-N 3.03Å; R791-L794 PolarHBondContact O-N 3.19Å; R791-D795 PolarHBondContact O-N 3.15Å
792F88.5Confident80Confident138 Ų138116.7 Ų116.761%0.60557%0.567SS**Hα-helixtrans-58.8-44.2177.3175.1-98.5000112.3Y788 F789 S796Y788-F792 WeakPolarHBondContact O-CB 3.33Å; Y788-F792 PolarHBondContact O-N 3.29Å; F789-F792 PolarHBondContact O-N 2.97Å; F792-S796 VanDerWaalsContact O-CB 3.24Å; F792-S796 WeakPolarHBondContact O-CB 3.41Å; F792-S796 PolarHBondContact O-N 3.06Å; F792-S796 PolarHBondContact O-OG 2.8Å
793C86.8Confident78.9Confident56 Ų56121.6 Ų121.638%0.37858%0.58SS.*Hα-helixtrans-63.9-44.8174.7-69.60000112F789 R791 D795 S796 A797F789-C793 PolarHBondContact O-N 3.1Å; F789-C793 PolarHBondContact O-SG 2.98Å; R791-C793 PolarHBondContact O-N 3.03Å; C793-D795 PolarHBondContact O-N 3.3Å; C793-S796 PolarHBondContact O-N 2.85Å; C793-A797 PolarHBondContact O-N 3.02Å
794L83.8Confident77.5Confident107 Ų107124.3 Ų124.356%0.5660%0.599SS**Hα-helixtrans-65-36.1179.5-74.6169.5000113.2K790 R791 K798K790-L794 WeakPolarHBondContact O-CB 3.5Å; K790-L794 VanDerWaalsContact O-CG 3.26Å; K790-L794 WeakPolarHBondContact O-CG 3.46Å; K790-L794 PolarHBondContact O-N 2.69Å; K790-L794 VanDerWaalsContact O-N 3.07Å; R791-L794 PolarHBondContact O-N 3.19Å; L794-K798 WeakPolarHBondContact O-CD 3.49Å; L794-K798 VanDerWaalsContact O-CE 3.22Å; L794-K798 WeakPolarHBondContact O-CE 3.47Å; L794-K798 WeakPolarHBondContact O-CG 3.11Å
795D72.6Confident75.9Confident89 Ų89125.5 Ų125.548%0.47662%0.623SS.*Hα-helixtrans-81.5-31.1176.9-73.8-18000112.6R791 C793 A797 K798 Q799R791-D795 PolarHBondContact O-N 3.15Å; C793-D795 PolarHBondContact O-N 3.3Å; D795-A797 VanDerWaalsContact C-N 3.29Å; D795-A797 PolarHBondContact O-N 2.96Å; D795-K798 PolarHBondContact O-N 3.12Å; D795-K798 VanDerWaalsContact O-N 3.12Å; D795-K798 WeakPolarHBondContact OD1-CD 3.4Å; D795-K798 WeakPolarHBondContact OD1-CE 3.48Å; D795-K798 IonicContact OD1-NZ 3.52Å; D795-K798 PolarHBondContact OD1-NZ 3.4Å; D795-Q799 PolarHBondContact O-N 2.92Å
796S69.4Low74.5Confident58 Ų58122.8 Ų122.841%0.40662%0.616SS.*Hα-helixtrans-60.3-39.5168.9-64.10000111.8F792 C793 K798 Q799F792-S796 VanDerWaalsContact O-CB 3.24Å; F792-S796 WeakPolarHBondContact O-CB 3.41Å; F792-S796 PolarHBondContact O-N 3.06Å; F792-S796 PolarHBondContact O-OG 2.8Å; C793-S796 PolarHBondContact O-N 2.85Å; S796-K798 VanDerWaalsContact C-N 3.26Å; S796-K798 PolarHBondContact O-N 2.87Å; S796-Q799 PolarHBondContact O-N 3.41Å
797A61.6Low72.6Confident86 Ų86124.5 Ų124.571%0.71162%0.623SS**THydrogen-bonded Turntrans-67.8-21.6175.600000113.9C793 D795C793-A797 PolarHBondContact O-N 3.02Å; D795-A797 VanDerWaalsContact C-N 3.29Å; D795-A797 PolarHBondContact O-N 2.96Å
798K61.5Low71.3Confident138 Ų138130.4 Ų130.460%0.664%0.642SS**THydrogen-bonded Turntrans-84.6-17.7177.2-66.8164.7-157.2161.30113.1L794 D795 S796 T800L794-K798 WeakPolarHBondContact O-CD 3.49Å; L794-K798 VanDerWaalsContact O-CE 3.22Å; L794-K798 WeakPolarHBondContact O-CE 3.47Å; L794-K798 WeakPolarHBondContact O-CG 3.11Å; D795-K798 PolarHBondContact O-N 3.12Å; D795-K798 VanDerWaalsContact O-N 3.12Å; D795-K798 WeakPolarHBondContact OD1-CD 3.4Å; D795-K798 WeakPolarHBondContact OD1-CE 3.48Å; D795-K798 IonicContact OD1-NZ 3.52Å; D795-K798 PolarHBondContact OD1-NZ 3.4Å; S796-K798 VanDerWaalsContact C-N 3.26Å; S796-K798 PolarHBondContact O-N 2.87Å; K798-T800 PolarHBondContact O-N 3.4Å
799Q59.4Low70Confident159 Ų159127.5 Ų127.574%0.74364%0.642SS**SBendtrans-66.7110.3171-70.1-1614.700109.6D795 S796 R801D795-Q799 PolarHBondContact O-N 2.92Å; S796-Q799 PolarHBondContact O-N 3.41Å; Q799-R801 PolarHBondContact O-N 3.19Å
800T58Low68.2Low140 Ų140126.9 Ų126.986%0.85965%0.645SS**  trans-65.887.2169.8-66.70000108.7K798 Q802K798-T800 PolarHBondContact O-N 3.4Å; T800-Q802 PolarHBondContact O-N 3.47Å
801R61.5Low66.4Low233 Ų233128.4 Ų128.488%0.87965%0.652SS**  trans-59.7111.7-178.8-160.1177.2-160.4-95.24.8108.5Q799 K803Q799-R801 PolarHBondContact O-N 3.19Å; R801-K803 PolarHBondContact O-N 2.86Å
802Q60.1Low64.3Low177 Ų177125.7 Ų125.783%0.82766%0.656SS**  trans-56.8116-174.4-161.317724.500109.2T800 V804T800-Q802 PolarHBondContact O-N 3.47Å; Q802-V804 VanDerWaalsContact C-N 3.33Å; Q802-V804 PolarHBondContact O-N 2.79Å
803K64.6Low62.6Low198 Ų198127 Ų12786%0.86167%0.669SS**  trans-75.882.3-166.9-172.1174.9179.2173.60111.3R801 A805R801-K803 PolarHBondContact O-N 2.86Å; K803-A805 PolarHBondContact O-N 3.5Å
804V61.8Low60.7Low120 Ų120133.6 Ų133.673%0.72769%0.691SS**  trans-61.8105.7171.1-178.60000108.8Q802 V806Q802-V804 VanDerWaalsContact C-N 3.33Å; Q802-V804 PolarHBondContact O-N 2.79Å; V804-V806 HydrophobicContact CG1-CG2 4.28Å; V804-V806 PolarHBondContact O-N 3.25Å
805A59.9Low58.9Low94 Ų94138.2 Ų138.278%0.77771%0.707SS**  trans-78.488.317900000110.3K803 N807K803-A805 PolarHBondContact O-N 3.5Å; A805-N807 PolarHBondContact O-N 3.26Å
806V63.4Low57.6Low82 Ų82140.5 Ų140.550%0.49772%0.724SS.*  trans-70115.7173.8-178.30000109.3V804 W808 F811V804-V806 HydrophobicContact CG1-CG2 4.28Å; V804-V806 PolarHBondContact O-N 3.25Å; V806-W808 PolarHBondContact O-N 2.91Å; V806-F811 HydrophobicContact CG1-CE2 4.26Å
807N55.5Low56.3Low93 Ų93143.4 Ų143.450%0.49774%0.74SS.*  trans-82103.9175.1-177.98000111A805 T809 N810A805-N807 PolarHBondContact O-N 3.26Å; N807-T809 PolarHBondContact ND2-OG1 3.36Å; N807-T809 PolarHBondContact O-N 2.77Å; N807-T809 VanDerWaalsContact O-N 3.16Å; N807-T809 PolarHBondContact OD1-N 2.79Å; N807-T809 VanDerWaalsContact OD1-N 3.12Å; N807-T809 PolarHBondContact OD1-OG1 3.12Å; N807-T809 VanDerWaalsContact OD1-OG1 3.11Å; N807-N810 PolarHBondContact O-N 3.43Å; N807-N810 PolarHBondContact O-ND2 3.31Å
808W64.8Low55.5Low202 Ų202145.2 Ų145.277%0.76574%0.744SS**G310 helixtrans-59.1-20.7-179.7-66.891.2000115V806 N810 F811V806-W808 PolarHBondContact O-N 2.91Å; W808-N810 PolarHBondContact O-N 3.16Å; W808-F811 PolarHBondContact O-N 3.42Å
809T64.3Low54.3Low105 Ų105144.4 Ų144.464%0.64476%0.755SS**G310 helixtrans-64.2-14.8-179.466.30000113.8N807N807-T809 PolarHBondContact ND2-OG1 3.36Å; N807-T809 PolarHBondContact O-N 2.77Å; N807-T809 VanDerWaalsContact O-N 3.16Å; N807-T809 PolarHBondContact OD1-N 2.79Å; N807-T809 VanDerWaalsContact OD1-N 3.12Å; N807-T809 PolarHBondContact OD1-OG1 3.12Å; N807-T809 VanDerWaalsContact OD1-OG1 3.11Å
810N53.3Low53.6Low124 Ų124143 Ų14366%0.66376%0.758SS**G310 helixtrans-77-20.6175.6-62-75.6000113N807 W808 S812N807-N810 PolarHBondContact O-N 3.43Å; N807-N810 PolarHBondContact O-ND2 3.31Å; W808-N810 PolarHBondContact O-N 3.16Å; N810-S812 PolarHBondContact O-N 2.97Å
811F51.6Low53Low144 Ų144140.6 Ų140.663%0.63275%0.752SS**  trans-85.756.2-178.5-72.6-81000112.7V806 W808 L813V806-F811 HydrophobicContact CG1-CE2 4.26Å; W808-F811 PolarHBondContact O-N 3.42Å; F811-L813 PolarHBondContact O-N 3.11Å
812S47.6Very low51.9Low97 Ų97142.1 Ų142.168%0.67877%0.77SS**  trans-73.187.5168.9-71.30000110.6N810 K814N810-S812 PolarHBondContact O-N 2.97Å; S812-K814 PolarHBondContact O-N 3.33Å
813L53.5Low51.5Low165 Ų165140.4 Ų140.486%0.86477%0.767SS**  trans-62.2100.3173.9-73.3172.4000110.8F811 K815F811-L813 PolarHBondContact O-N 3.11Å; L813-K815 PolarHBondContact O-N 3.1Å; L813-K815 VanDerWaalsContact O-N 3.13Å
814K46Very low50.8Low195 Ų195137.4 Ų137.485%0.84876%0.762SS**  trans-67107.4174.4-60.3178.2-174.8176.90108.9S812 T816S812-K814 PolarHBondContact O-N 3.33Å; K814-T816 PolarHBondContact O-N 3.38Å; K814-T816 VanDerWaalsContact O-N 3.09Å
815K47.6Very low50.2Low204 Ų204138.3 Ų138.389%0.88776%0.764SS**  trans-66.9104.5171.5-87.6-172.2172.5-177.70110.1L813 T817L813-K815 PolarHBondContact O-N 3.1Å; L813-K815 VanDerWaalsContact O-N 3.13Å; K815-T817 PolarHBondContact O-N 3.49Å
816T43.4Very low49.6Very low136 Ų136140.9 Ų140.983%0.83476%0.763SS**  trans-74.3115.3163.8-45.80000108.8K814K814-T816 PolarHBondContact O-N 3.38Å; K814-T816 VanDerWaalsContact O-N 3.09Å
817T43Very low48.8Very low120 Ų120144.6 Ų144.674%0.73678%0.779SS**  trans-72.8136169.741.30000110.2K815 S819K815-T817 PolarHBondContact O-N 3.49Å; T817-S819 PolarHBondContact O-N 3.38Å
818P44.2Very low48.3Very low123 Ų123148.1 Ų148.180%0.79980%0.798SS**  trans-67129.3174.328.6-33.5000110T820P818-T820 PolarHBondContact O-N 3.4Å
819S36.1Very low47.2Very low121 Ų121144.2 Ų144.285%0.84680%0.801SS**  trans-85.6105.6171.3-176.60000108.7T817 A821T817-S819 PolarHBondContact O-N 3.38Å; S819-A821 PolarHBondContact O-N 3.37Å
820T45.7Very low45.8Very low129 Ų129147.2 Ų147.279%0.79181%0.813SS**  trans-70.9116.9164.8-57.70000108.3P818P818-T820 PolarHBondContact O-N 3.4Å
821A46.3Very low45.2Very low90 Ų90149.2 Ų149.274%0.74483%0.825SS**  trans-90.4143.3161.100000109.5S819S819-A821 PolarHBondContact O-N 3.37Å
822Q37.8Very low44.7Very low266 Ų266149.6 Ų149.6100%1.24384%0.843SS**  trans-101.90161-73.4-167.9-110.600109.1

Retrieved 822 of 822 residues in 434.7 ms (Link to these results)