A0A087YKW6_POEFO Loading...

BUD13 homolog

AlphaFold DB , UniProt , Accession A0A087YKW6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 511 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low42Very low251 Ų251133.1 Ų133.1100%1.23687%0.867SS**  0144.70-77.2-125175.700108.7
2A37.4Very low42.8Very low104 Ų104138.1 Ų138.186%0.8687%0.87SS**  trans-63.1150.5-156.200000116.6
3A43Very low44.5Very low107 Ų107137.2 Ų137.288%0.88485%0.853SS**  trans-116.2126.5158.100000108
4S41.4Very low46.8Very low119 Ų119132 Ų13283%0.83283%0.825SS**  trans-136.1108.817558.90000110.6
5T45.7Very low48.1Very low148 Ų148134.7 Ų134.791%0.90882%0.82SS**  trans-102114.9164.1530000108.2
6S39.5Very low49.6Very low125 Ų125130.7 Ų130.787%0.87481%0.805SS**  trans-101120.7172.455.50000111
7N39.9Very low51.2Low134 Ų134129.4 Ų129.472%0.71779%0.788SS**  trans-95.1125178.3-170.227.3000108.7
8S40.2Very low52.6Low119 Ų119129.9 Ų129.983%0.83277%0.774SS**  trans-113.9100.6174.260.90000111
9K46.5Very low53.9Low180 Ų180127.6 Ų127.678%0.78376%0.757SS**PPolyproline II helixtrans-81.1147.7170.7-71.8175.8175176.70110.3
10G42.9Very low55.1Low71 Ų71129.4 Ų129.473%0.73276%0.755SS**PPolyproline II helixtrans-60.1152-17700000114.6E12G10-E12 PolarHBondContact O-N 3.05Å
11A48.5Very low56Low106 Ų106132.1 Ų132.188%0.87675%0.753SS**PPolyproline II helixtrans-62.8119.6-17400000112.9
12E51.4Low57.7Low193 Ų193127.6 Ų127.690%0.90272%0.723SS**PPolyproline II helixtrans-79.5117.4170.9-64.2-178.7168.400109.3G10 S14G10-E12 PolarHBondContact O-N 3.05Å; E12-S14 PolarHBondContact O-N 3.15Å
13L65.6Low59Low126 Ų126129.3 Ų129.366%0.6672%0.717SS**PPolyproline II helixtrans-61.8128.4174.8-72.6153.2000110
14S75.9Confident59.8Low65 Ų65129.1 Ų129.146%0.45571%0.709SS.*PPolyproline II helixtrans-65143-175.575.70000111.7E12 A16 E17 Y18E12-S14 PolarHBondContact O-N 3.15Å; S14-A16 PolarHBondContact O-N 3.24Å; S14-E17 WeakPolarHBondContact O-CB 3.42Å; S14-E17 PolarHBondContact O-N 3.13Å; S14-Y18 PolarHBondContact O-N 3.43Å
15K66.7Low60.3Low172 Ų172127 Ų12775%0.74870%0.699SS**Hα-helixtrans-52.2-31.1179-175.8174.8179.31790113.3L19K15-L19 HydrophobicContact CG-CD1 4.11Å; K15-L19 WeakPolarHBondContact O-CD1 3.47Å; K15-L19 PolarHBondContact O-N 3.37Å; K15-L19 VanDerWaalsContact O-N 3.13Å
16A71.8Confident60Low71 Ų71126.4 Ų126.459%0.58769%0.69SS**Hα-helixtrans-67.8-35.5176.200000112.8S14 K20S14-A16 PolarHBondContact O-N 3.24Å; A16-K20 PolarHBondContact O-N 2.87Å; A16-K20 VanDerWaalsContact O-N 3.15Å
17E77.2Confident60.2Low109 Ų109127.9 Ų127.951%0.50969%0.688SS.*Hα-helixtrans-75.3-33.7179.7-157.3175.5-176.500111.7S14 K20S14-E17 WeakPolarHBondContact O-CB 3.42Å; S14-E17 PolarHBondContact O-N 3.13Å; E17-K20 PolarHBondContact O-N 3.41Å
18Y76.8Confident60.4Low138 Ų138129.6 Ų129.654%0.54170%0.697SS.*Hα-helixtrans-65.6-43.7170.6-172.8-98.7000111.9S14 K20 R21 Y22S14-Y18 PolarHBondContact O-N 3.43Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 3.5Å; Y18-R21 PolarHBondContact O-N 3.37Å; Y18-Y22 HydrophobicContact CD1-CD2 4.4Å; Y18-Y22 HydrophobicContact CD1-CE2 4.34Å; Y18-Y22 HydrophobicContact CD2-CE2 4.5Å; Y18-Y22 HydrophobicContact CE1-CD2 4.08Å; Y18-Y22 AromaticContact CE1-CE2 3.7Å; Y18-Y22 HydrophobicContact CE1-CE2 3.7Å; Y18-Y22 AromaticContact CE2-CE2 3.87Å; Y18-Y22 HydrophobicContact CE2-CE2 3.87Å; Y18-Y22 AromaticContact CZ-CE2 3.43Å; Y18-Y22 VanDerWaalsContact CZ-CE2 3.43Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.36Å; Y18-Y22 PolarHBondContact OH-OH 2.87Å
19L76.5Confident60.2Low87 Ų87129.1 Ų129.146%0.45569%0.694SS.*Hα-helixtrans-64.8-33177.2-102.4110000113.3K15 R21 Y22 L23K15-L19 HydrophobicContact CG-CD1 4.11Å; K15-L19 WeakPolarHBondContact O-CD1 3.47Å; K15-L19 PolarHBondContact O-N 3.37Å; K15-L19 VanDerWaalsContact O-N 3.13Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.44Å; L19-Y22 PolarHBondContact O-N 3.37Å; L19-L23 HydrophobicContact CD2-CD1 4.33Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-N 3.12Å
20K77.5Confident59.9Low163 Ų163126 Ų12671%0.70970%0.695SS**Hα-helixtrans-61.1-35.1176.8-105.4-179.1176.7177.20113.3A16 E17 Y18 Y22 S24A16-K20 PolarHBondContact O-N 2.87Å; A16-K20 VanDerWaalsContact O-N 3.15Å; E17-K20 PolarHBondContact O-N 3.41Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 3.5Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; K20-Y22 PolarHBondContact O-N 3.2Å; K20-S24 PolarHBondContact O-N 3.12Å; K20-S24 PolarHBondContact O-OG 3.17Å
21R75.8Confident59.7Low187 Ų187132.1 Ų132.171%0.70670%0.701SS**Hα-helixtrans-67.3-28.7177.2-88.3-175.5169.2141.6-0.6113.6Y18 L19Y18-R21 PolarHBondContact O-N 3.37Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.44Å
22Y70.4Confident59.2Low155 Ų155132.4 Ų132.461%0.60870%0.697SS**Hα-helixtrans-90.5-26.2-178.8-77.7-86.7000113Y18 L19 K20Y18-Y22 HydrophobicContact CD1-CD2 4.4Å; Y18-Y22 HydrophobicContact CD1-CE2 4.34Å; Y18-Y22 HydrophobicContact CD2-CE2 4.5Å; Y18-Y22 HydrophobicContact CE1-CD2 4.08Å; Y18-Y22 AromaticContact CE1-CE2 3.7Å; Y18-Y22 HydrophobicContact CE1-CE2 3.7Å; Y18-Y22 AromaticContact CE2-CE2 3.87Å; Y18-Y22 HydrophobicContact CE2-CE2 3.87Å; Y18-Y22 AromaticContact CZ-CE2 3.43Å; Y18-Y22 VanDerWaalsContact CZ-CE2 3.43Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.36Å; Y18-Y22 PolarHBondContact OH-OH 2.87Å; L19-Y22 PolarHBondContact O-N 3.37Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; K20-Y22 PolarHBondContact O-N 3.2Å
23L66Low58.6Low140 Ų140133.6 Ų133.673%0.73370%0.699SS**Hα-helixtrans-86.1-13.1178.6-67.6173.7000114.2L19L19-L23 HydrophobicContact CD2-CD1 4.33Å; L19-L23 PolarHBondContact O-N 3.32Å; L19-L23 VanDerWaalsContact O-N 3.12Å
24S60.1Low57.1Low103 Ų103131 Ų13172%0.7270%0.702SS**THydrogen-bonded Turntrans-93.89.6176.764.40000114.2K20K20-S24 PolarHBondContact O-N 3.12Å; K20-S24 PolarHBondContact O-OG 3.17Å
25A50.5Low55.4Low75 Ų75138.3 Ų138.362%0.6273%0.726SS**SBendtrans-114.416.7-171.700000114.7
26D40.6Very low54.4Low136 Ų136137.3 Ų137.373%0.72773%0.727SS**  trans-131.184.1177.4-103.4-27.2000111.3
27D44.4Very low53.1Low155 Ų155143.9 Ų143.983%0.82974%0.743SS**SBendtrans-162.170.6153.2-103.9-21.5000108.2
28N43.3Very low51.7Low170 Ų170147.8 Ų147.891%0.90976%0.758SS**  trans174.779.8149.6-90.3-45.7000111.9
29S35.1Very low50.3Low110 Ų110151 Ų15177%0.76978%0.775SS**  trans-149.576.9156.270.20000112.7
30S40.5Very low48.8Very low114 Ų114158.6 Ų158.680%0.79780%0.797SS**  trans-88.2109.5165.763.10000111.5
31K38.4Very low47.5Very low200 Ų200162 Ų16287%0.8781%0.806SS**  trans49.3117.6139.6-69.7173.2-179.6166.50120.5
32S39Very low46.1Very low112 Ų112163.1 Ų163.178%0.78382%0.816SS**  trans-24.3134.4149.156.90000117.4
33K37.7Very low44.9Very low217 Ų217162 Ų16294%0.94383%0.825SS**  trans-160147.4149.3-108.9169.8-171.1-179.30112.5
34G34.1Very low44Very low71 Ų71160.7 Ų160.773%0.73282%0.824SS**  trans-64.2159.7-16100000118I36G34-I36 PolarHBondContact O-N 3.43Å
35K41Very low43.3Very low220 Ų220165 Ų16596%0.95783%0.834SS**  trans-68106.4176.1-66.8177.3177.9175.70110.7
36I44.9Very low43.5Very low150 Ų150173 Ų17377%0.76985%0.848SS**  trans-103.5118162.5-67.5172.3000108G34 K38G34-I36 PolarHBondContact O-N 3.43Å; I36-K38 PolarHBondContact O-N 3.22Å
37K45.9Very low43.7Very low209 Ų209170.3 Ų170.391%0.90985%0.852SS**  trans-64.5109.9175.3-70.1178.6177.41760109.7
38K47.7Very low44.1Very low192 Ų192170.5 Ų170.584%0.83585%0.852SS**PPolyproline II helixtrans-91.1122.6168.9-73.9-177.8178.8174.90110.1I36I36-K38 PolarHBondContact O-N 3.22Å
39K47.1Very low44.4Very low206 Ų206172 Ų17290%0.89685%0.85SS**PPolyproline II helixtrans-65131.5170.8-70.4-173.3176.1-178.80109.7
40R45.9Very low45.4Very low245 Ų245172.9 Ų172.993%0.92585%0.845SS**PPolyproline II helixtrans-67.2129.2170.6-68.3173.470.2177.41.3109.2
41R48.8Very low45.4Very low236 Ų236172.9 Ų172.989%0.89184%0.84SS**PPolyproline II helixtrans-78.3131.6168.1-68.2174.681.1-1764.8108.4
42K47Very low45.2Very low210 Ų210169.3 Ų169.391%0.91383%0.83SS**PPolyproline II helixtrans-67.7127.6170.1-85.9177.4170.4-177.20108.9
43V45.2Very low45.5Very low131 Ų131170.4 Ų170.479%0.79483%0.828SS**PPolyproline II helixtrans-88.8134.1166.8178.80000106.9E45V43-E45 PolarHBondContact O-N 3.29Å
44P47.2Very low45.7Very low112 Ų112166.7 Ų166.773%0.72782%0.818SS**PPolyproline II helixtrans-71.2129.717828.3-32.2000110.6R46P44-R46 PolarHBondContact O-N 2.99Å
45E45.3Very low46.3Very low195 Ų195169.8 Ų169.891%0.91182%0.816SS**  trans-60.5112.5174-72179.815700110.2V43V43-E45 PolarHBondContact O-N 3.29Å
46R55.1Low46.7Very low243 Ų243164.7 Ų164.792%0.91780%0.799SS**  trans-92.1112.6157.7-86.2179.8170.9165.3-3.4106.8P44 L48P44-R46 PolarHBondContact O-N 2.99Å; R46-L48 PolarHBondContact O-N 3.34Å
47G44Very low46.9Very low79 Ų79168.4 Ų168.481%0.81480%0.804SS**  trans-57.5121.2-178.100000112.3
48L52.5Low47.2Very low158 Ų158169.2 Ų169.283%0.82780%0.801SS**  trans-76.5114.9164.1-135.576.6000106.9R46R46-L48 PolarHBondContact O-N 3.34Å
49K49.6Very low47.3Very low201 Ų201168.8 Ų168.887%0.87480%0.802SS**  trans-88.6104.6167.4-86.3174.6171.1177.70107.4
50I55.9Low47Very low130 Ų130167.3 Ų167.367%0.66780%0.801SS**  trans-79.4119.1165.4-60.1168.5000105.1
51V41.7Very low46.7Very low113 Ų113161.5 Ų161.569%0.68579%0.792SS**  trans-92.5107.5168.8177.30000104.6D53V51-D53 PolarHBondContact O-N 3.02Å; V51-D53 VanDerWaalsContact O-N 3.16Å
52D33.5Very low46.5Very low125 Ų125159.5 Ų159.567%0.66879%0.79SS**  trans-73.495.4169.1-69.3-39.4000107D54D52-D54 PolarHBondContact O-N 3.29Å; D52-D54 VanDerWaalsContact O-N 3.08Å
53D45.3Very low46Very low136 Ų136157.5 Ų157.573%0.72778%0.784SS**  trans-75.287162.1-78.8-24000106.9V51 I55V51-D53 PolarHBondContact O-N 3.02Å; V51-D53 VanDerWaalsContact O-N 3.16Å; D53-I55 VanDerWaalsContact C-N 3.28Å; D53-I55 PolarHBondContact O-N 3.26Å
54D41.9Very low45.4Very low138 Ų138160.4 Ų160.474%0.73879%0.789SS**  trans-60.389170.7-73.1-36.4000109.5D52 D56D52-D54 PolarHBondContact O-N 3.29Å; D52-D54 VanDerWaalsContact O-N 3.08Å; D54-D56 PolarHBondContact O-N 3.46Å
55I47.7Very low44.9Very low137 Ų137160.2 Ų160.270%0.70379%0.786SS**  trans-77.8100161.9-68.3167.2000106.3D53 W57D53-I55 VanDerWaalsContact C-N 3.28Å; D53-I55 PolarHBondContact O-N 3.26Å; I55-W57 VanDerWaalsContact O-CD1 3.28Å; I55-W57 PolarHBondContact O-N 2.94Å
56D47.6Very low44.6Very low112 Ų112159.5 Ų159.560%0.59978%0.782SS**  trans-54.4107.4174.5-76.7-46.7000110.9D54 R58 Q59D54-D56 PolarHBondContact O-N 3.46Å; D56-R58 PolarHBondContact O-N 3.09Å; D56-Q59 PolarHBondContact O-N 2.86Å; D56-Q59 VanDerWaalsContact O-N 3.16Å
57W50.6Low43.7Very low229 Ų229153.9 Ų153.987%0.86778%0.775SS**G310 helixtrans-59.9-3.1173.5-66.7-4.9000114I55 Q59I55-W57 VanDerWaalsContact O-CD1 3.28Å; I55-W57 PolarHBondContact O-N 2.94Å; W57-Q59 VanDerWaalsContact C-N 3.28Å; W57-Q59 PolarHBondContact O-N 3.08Å
58R51.2Low43.5Very low225 Ų225157.9 Ų157.985%0.84977%0.772SS**G310 helixtrans-72.3-17.5173.8-67.8-178.6175.7-85.6-2.6113.4D56D56-R58 PolarHBondContact O-N 3.09Å
59Q50.1Low43.1Very low183 Ų183158.7 Ų158.786%0.85577%0.772SS**G310 helixtrans-89.2-1.4-179.8-81.5-176.9-10.200115.2D56 W57D56-Q59 PolarHBondContact O-N 2.86Å; D56-Q59 VanDerWaalsContact O-N 3.16Å; W57-Q59 VanDerWaalsContact C-N 3.28Å; W57-Q59 PolarHBondContact O-N 3.08Å
60M40.1Very low42.6Very low175 Ų175156.5 Ų156.586%0.86277%0.769SS**G310 helixtrans-102.62.3176.5-67.3-166.884.200114.8K62M60-K62 PolarHBondContact O-N 3.35Å
61V39.7Very low41.9Very low123 Ų123159 Ų15975%0.74578%0.778SS**  trans-89.981.9172.4-1740000108.6E63V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 3.45Å; V61-E63 VanDerWaalsContact O-N 3.13Å
62K44.7Very low42.2Very low195 Ų195163.6 Ų163.685%0.84879%0.792SS**  trans-69.298.3153.8-93178.8174.1175.70107.1M60 Q64M60-K62 PolarHBondContact O-N 3.35Å; K62-Q64 PolarHBondContact O-N 2.91Å; K62-Q64 VanDerWaalsContact O-N 3.16Å
63E37.4Very low43.1Very low168 Ų168167.1 Ų167.179%0.78581%0.805SS**  trans21.684.3132-154.9166.9-153.300114.4V61 T65V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 3.45Å; V61-E63 VanDerWaalsContact O-N 3.13Å; E63-T65 HydrophobicContact CG-CG2 4.45Å
64Q32.6Very low43.5Very low192 Ų192164 Ų16490%0.89780%0.798SS**  trans-89.1102148.5-77.4180-21.900105.1K62 E66K62-Q64 PolarHBondContact O-N 2.91Å; K62-Q64 VanDerWaalsContact O-N 3.16Å; Q64-E66 PolarHBondContact O-N 3.36Å
65T36.3Very low44.3Very low108 Ų108163.1 Ų163.166%0.66380%0.8SS**  trans-53.2118.5164.5340000109.1E63 V67E63-T65 HydrophobicContact CG-CG2 4.45Å; T65-V67 PolarHBondContact O-N 2.89Å; T65-V67 VanDerWaalsContact O-N 3.13Å
66E38.8Very low44.7Very low180 Ų180163.3 Ų163.384%0.84181%0.807SS**  trans-53.6108.9156.2-83.5169.8152.500108.1Q64Q64-E66 PolarHBondContact O-N 3.36Å
67V35.6Very low44.6Very low124 Ų124165 Ų16575%0.75281%0.814SS**  trans-102.688.7152.7179.90000104.1T65T65-V67 PolarHBondContact O-N 2.89Å; T65-V67 VanDerWaalsContact O-N 3.13Å
68E41Very low44.2Very low164 Ų164158.1 Ų158.177%0.76681%0.807SS**  trans-78.4144.7153.6-79.4-174.1148.200107.4
69E43.2Very low44.2Very low175 Ų175155.8 Ų155.882%0.81881%0.805SS**SBendtrans99.9113.4175.5-57-177.9162.100115.6
70D39.6Very low44.4Very low154 Ų154155.9 Ų155.982%0.82480%0.803SS**  trans92.667.4161.7-53.6-23.3000120.2
71E41.3Very low45.2Very low183 Ų183154.1 Ų154.186%0.85580%0.796SS**  trans-132.614.2161.2-73.4-167.617600115.5E73E71-E73 PolarHBondContact O-N 2.99Å
72E47.2Very low46.3Very low209 Ų209150 Ų15098%0.97777%0.77SS**THydrogen-bonded Turntrans-73.616.3178.9-73-167.8169.400115.5
73E53.1Low47.7Very low199 Ų199148.8 Ų148.893%0.9377%0.767SS**THydrogen-bonded Turntrans-145.551.3173.2-152164.8-160.900113.6E71E71-E73 PolarHBondContact O-N 2.99Å
74A54.5Low49.7Very low72 Ų72145.9 Ų145.960%0.59575%0.749SS**SBendtrans-114136.4159.700000109.7V76A74-V76 PolarHBondContact O-N 3.44Å
75P59.1Low52.1Low118 Ų118140.8 Ų140.877%0.76673%0.733SS**  trans-58.9133.6176.324-32000109.8I77P75-I77 PolarHBondContact O-N 3.35Å
76V56Low54Low141 Ų141140.9 Ų140.986%0.85573%0.729SS**  trans-57.6103.11761780000108.7A74 A78A74-V76 PolarHBondContact O-N 3.44Å; V76-A78 PolarHBondContact O-N 2.98Å; V76-A78 VanDerWaalsContact O-N 3.16Å
77I44.5Very low55.8Low147 Ų147139.6 Ų139.675%0.75472%0.723SS**  trans-69.9109.6166.9-59173.6000105.1P75 E79P75-I77 PolarHBondContact O-N 3.35Å; I77-E79 PolarHBondContact O-N 3.29Å
78A43.5Very low57.7Low86 Ų86136.3 Ų136.371%0.71170%0.703SS**  trans-60.9101.9169.400000107.6V76 F80V76-A78 PolarHBondContact O-N 2.98Å; V76-A78 VanDerWaalsContact O-N 3.16Å; A78-F80 PolarHBondContact O-N 3.47Å
79E51.2Low59.6Low175 Ų175131.5 Ų131.582%0.81868%0.68SS**  trans-59.2103.1169.4-70.3-172.3161.800107.4I77 I81I77-E79 PolarHBondContact O-N 3.29Å; E79-I81 VanDerWaalsContact C-N 3.28Å; E79-I81 PolarHBondContact O-N 3.28Å
80F52.9Low61.3Low185 Ų185129.9 Ų129.981%0.81167%0.672SS**  trans-68.593.3172.4-169.8-95.4000106.9A78 D82A78-F80 PolarHBondContact O-N 3.47Å; F80-D82 VanDerWaalsContact C-N 3.31Å; F80-D82 PolarHBondContact O-N 2.97Å
81I56.4Low63.1Low138 Ų138126.9 Ų126.971%0.70866%0.656SS**  trans-64.5100.1169.8-59.3168.4000105.6E79 E83E79-I81 VanDerWaalsContact C-N 3.28Å; E79-I81 PolarHBondContact O-N 3.28Å; I81-E83 PolarHBondContact O-N 3.06Å
82D63Low64.9Low37 Ų37121.8 Ų121.820%0.19863%0.632CS.*  trans-59.8108.8173.6-172.8-7.4000107.8F80 R84 K89F80-D82 VanDerWaalsContact C-N 3.31Å; F80-D82 PolarHBondContact O-N 2.97Å; D82-R84 VanDerWaalsContact CG-NE 3.33Å; D82-R84 PolarHBondContact O-N 2.89Å; D82-R84 WeakPolarHBondContact OD1-CB 3.17Å; D82-R84 WeakPolarHBondContact OD1-CG 3.35Å; D82-R84 IonicContact OD1-CZ 3.37Å; D82-R84 PolarHBondContact OD1-N 2.9Å; D82-R84 VanDerWaalsContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.52Å; D82-R84 PolarHBondContact OD1-NE 2.79Å; D82-R84 IonicContact OD1-NH2 3.59Å; D82-R84 IonicContact OD2-CZ 3.3Å; D82-R84 VanDerWaalsContact OD2-CZ 3.3Å; D82-R84 IonicContact OD2-NE 2.64Å; D82-R84 PolarHBondContact OD2-NE 3.06Å; D82-R84 VanDerWaalsContact OD2-NE 3.12Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 2.91Å; D82-K89 WeakPolarHBondContact O-CE 3.4Å; D82-K89 PolarHBondContact O-NZ 2.79Å
83E74.1Confident66.6Low169 Ų169116.1 Ų116.179%0.7961%0.612SS**  trans-82.94.5-179.1-68.9-168.4163.600112.4I81I81-E83 PolarHBondContact O-N 3.06Å
84R79Confident67.7Low107 Ų107110.5 Ų110.540%0.40458%0.584SS.*SBendtrans-63.9143177.7-67179-73.3164.310.4110.7D82 K89 E92D82-R84 VanDerWaalsContact CG-NE 3.33Å; D82-R84 PolarHBondContact O-N 2.89Å; D82-R84 WeakPolarHBondContact OD1-CB 3.17Å; D82-R84 WeakPolarHBondContact OD1-CG 3.35Å; D82-R84 IonicContact OD1-CZ 3.37Å; D82-R84 PolarHBondContact OD1-N 2.9Å; D82-R84 VanDerWaalsContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.52Å; D82-R84 PolarHBondContact OD1-NE 2.79Å; D82-R84 IonicContact OD1-NH2 3.59Å; D82-R84 IonicContact OD2-CZ 3.3Å; D82-R84 VanDerWaalsContact OD2-CZ 3.3Å; D82-R84 IonicContact OD2-NE 2.64Å; D82-R84 PolarHBondContact OD2-NE 3.06Å; D82-R84 VanDerWaalsContact OD2-NE 3.12Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 2.91Å; R84-K89 WeakPolarHBondContact O-CE 3.34Å; R84-K89 PolarHBondContact O-NZ 3.32Å; R84-E92 IonicContact CZ-OE1 3.07Å; R84-E92 IonicContact CZ-OE2 2.74Å; R84-E92 VanDerWaalsContact CZ-OE2 3.3Å; R84-E92 VanDerWaalsContact NH1-CD 3.31Å; R84-E92 IonicContact NH1-OE1 3.35Å; R84-E92 PolarHBondContact NH1-OE1 3.04Å; R84-E92 IonicContact NH1-OE2 2.63Å; R84-E92 PolarHBondContact NH1-OE2 3.25Å; R84-E92 VanDerWaalsContact NH1-OE2 3.16Å; R84-E92 IonicContact NH2-OE1 2.66Å; R84-E92 IonicContact NH2-OE2 3.11Å; R84-E92 PolarHBondContact NH2-OE2 2.83Å
85P84.5Confident68.7Low85 Ų85116.9 Ų116.955%0.55259%0.593SS**  trans-56144.6-177.421.1-31.8000111.4E87 V88 K89P85-E87 PolarHBondContact O-N 3.29Å; P85-V88 HydrophobicContact CG-CB 4.3Å; P85-V88 HydrophobicContact CG-CG2 3.81Å; P85-V88 PolarHBondContact O-N 2.7Å; P85-K89 PolarHBondContact O-N 3.27Å
86D76Confident69.6Low111 Ų111116.4 Ų116.459%0.59459%0.588SS**Hα-helixtrans-56.2-29.1-170.8-68.3-19.7000113.5K89 Q90D86-K89 PolarHBondContact O-N 3.09Å; D86-K89 IonicContact OD1-NZ 3.99Å; D86-Q90 WeakPolarHBondContact O-CB 3.41Å; D86-Q90 VanDerWaalsContact O-CG 3.25Å; D86-Q90 WeakPolarHBondContact O-CG 3.34Å; D86-Q90 PolarHBondContact O-N 3.41Å
87E75.3Confident70.7Confident152 Ų152111 Ų11171%0.7156%0.557SS**Hα-helixtrans-63.9-40.1174.9-64179.2175.500112.5P85 Q90 L91P85-E87 PolarHBondContact O-N 3.29Å; E87-Q90 PolarHBondContact O-N 3.48Å; E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 WeakPolarHBondContact O-CD1 3.36Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 3.11Å
88V75.8Confident72.3Confident56 Ų56112.1 Ų112.134%0.33956%0.564SS.*Hα-helixtrans-72.7-38.6179.6176.20000110.5P85 L91 E92P85-V88 HydrophobicContact CG-CB 4.3Å; P85-V88 HydrophobicContact CG-CG2 3.81Å; P85-V88 PolarHBondContact O-N 2.7Å; V88-L91 PolarHBondContact O-N 2.91Å; V88-E92 PolarHBondContact O-N 3.24Å
89K81.9Confident73.8Confident62 Ų62118.4 Ų118.427%0.2757%0.569SS.*Hα-helixtrans-61.8-44.2173.3-69172.9177.3147.40111.7D82 R84 P85 D86 L91 E92 V93D82-K89 WeakPolarHBondContact O-CE 3.4Å; D82-K89 PolarHBondContact O-NZ 2.79Å; R84-K89 WeakPolarHBondContact O-CE 3.34Å; R84-K89 PolarHBondContact O-NZ 3.32Å; P85-K89 PolarHBondContact O-N 3.27Å; D86-K89 PolarHBondContact O-N 3.09Å; D86-K89 IonicContact OD1-NZ 3.99Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.15Å; K89-E92 PolarHBondContact O-N 2.99Å; K89-V93 VanDerWaalsContact O-CG2 3.27Å; K89-V93 WeakPolarHBondContact O-CG2 3.49Å; K89-V93 PolarHBondContact O-N 2.85Å
90Q79.6Confident74.6Confident141 Ų141117.2 Ų117.266%0.65956%0.558SS**Hα-helixtrans-65.4-38.1177.8-73.1175.42400111.9D86 E87 F94D86-Q90 WeakPolarHBondContact O-CB 3.41Å; D86-Q90 VanDerWaalsContact O-CG 3.25Å; D86-Q90 WeakPolarHBondContact O-CG 3.34Å; D86-Q90 PolarHBondContact O-N 3.41Å; E87-Q90 PolarHBondContact O-N 3.48Å; Q90-F94 VanDerWaalsContact O-CB 3.29Å; Q90-F94 WeakPolarHBondContact O-CB 3.5Å; Q90-F94 PolarHBondContact O-N 3.12Å
91L76.1Confident75.5Confident92 Ų92117.1 Ų117.148%0.48256%0.557SS.*Hα-helixtrans-66.5-40174.9-83.3158.6000112.8E87 V88 K89 F94 R95E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 WeakPolarHBondContact O-CD1 3.36Å; E87-L91 WeakPolarHBondContact O-CG 3.43Å; E87-L91 PolarHBondContact O-N 3.11Å; V88-L91 PolarHBondContact O-N 2.91Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-L91 PolarHBondContact O-N 3.15Å; L91-F94 PolarHBondContact O-N 2.92Å; L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 VanDerWaalsContact O-CG 3.3Å; L91-R95 WeakPolarHBondContact O-CG 3.31Å; L91-R95 PolarHBondContact O-N 3.28Å
92E80.1Confident76.2Confident75 Ų75115 Ų11535%0.3555%0.55SS.*Hα-helixtrans-67.3-43.2175.1-77.2-174.9177.400111.7R84 V88 K89 F94 R95 T96R84-E92 IonicContact CZ-OE1 3.07Å; R84-E92 IonicContact CZ-OE2 2.74Å; R84-E92 VanDerWaalsContact CZ-OE2 3.3Å; R84-E92 VanDerWaalsContact NH1-CD 3.31Å; R84-E92 IonicContact NH1-OE1 3.35Å; R84-E92 PolarHBondContact NH1-OE1 3.04Å; R84-E92 IonicContact NH1-OE2 2.63Å; R84-E92 PolarHBondContact NH1-OE2 3.25Å; R84-E92 VanDerWaalsContact NH1-OE2 3.16Å; R84-E92 IonicContact NH2-OE1 2.66Å; R84-E92 IonicContact NH2-OE2 3.11Å; R84-E92 PolarHBondContact NH2-OE2 2.83Å; V88-E92 PolarHBondContact O-N 3.24Å; K89-E92 PolarHBondContact O-N 2.99Å; E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.1Å; E92-R95 PolarHBondContact O-N 2.85Å; E92-T96 WeakPolarHBondContact O-CB 3.48Å; E92-T96 VanDerWaalsContact O-CG2 3.28Å; E92-T96 WeakPolarHBondContact O-CG2 3.35Å; E92-T96 PolarHBondContact O-N 2.76Å; E92-T96 PolarHBondContact O-OG1 2.95Å
93V81.7Confident75.5Confident91 Ų91120.3 Ų120.355%0.55258%0.584SS**Hα-helixtrans-60.7-39.5172.6173.20000110.9K89 S97K89-V93 VanDerWaalsContact O-CG2 3.27Å; K89-V93 WeakPolarHBondContact O-CG2 3.49Å; K89-V93 PolarHBondContact O-N 2.85Å; V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 3.12Å; V93-S97 PolarHBondContact O-OG 2.79Å
94F75.6Confident74.8Confident81 Ų81115.9 Ų115.936%0.35558%0.583SS.*Hα-helixtrans-66.7-36.9177.6-167.6-90.4000112.6Q90 L91 E92 W100 V102Q90-F94 VanDerWaalsContact O-CB 3.29Å; Q90-F94 WeakPolarHBondContact O-CB 3.5Å; Q90-F94 PolarHBondContact O-N 3.12Å; L91-F94 PolarHBondContact O-N 2.92Å; E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.1Å; F94-W100 HydrophobicContact CD2-CB 4.05Å; F94-W100 AromaticContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CE3 4.39Å; F94-W100 AromaticContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CE1-CB 4.31Å; F94-W100 HydrophobicContact CE2-CB 3.68Å; F94-W100 AromaticContact CE2-CD2 3.54Å; F94-W100 HydrophobicContact CE2-CD2 3.54Å; F94-W100 AromaticContact CE2-CE3 3.54Å; F94-W100 HydrophobicContact CE2-CE3 3.54Å; F94-W100 AromaticContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CZ3 4.34Å; F94-W100 HydrophobicContact CZ-CB 3.82Å; F94-W100 HydrophobicContact CZ-CD2 4.41Å; F94-W100 HydrophobicContact CZ-CE3 4.25Å; F94-W100 HydrophobicContact CZ-CG 4.26Å; F94-V102 HydrophobicContact CE1-CG2 4.3Å
95R76.6Confident73.5Confident205 Ų205114 Ų11477%0.77459%0.591SS**Hα-helixtrans-77.6-33.1178.1-73174.6177.1178.5-0.4113.5L91 E92L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 VanDerWaalsContact O-CG 3.3Å; L91-R95 WeakPolarHBondContact O-CG 3.31Å; L91-R95 PolarHBondContact O-N 3.28Å; E92-R95 PolarHBondContact O-N 2.85Å
96T78.4Confident71.5Confident108 Ų108116.4 Ų116.466%0.66360%0.599SS**Hα-helixtrans-94.3-19-174.756.20000113.4E92E92-T96 WeakPolarHBondContact O-CB 3.48Å; E92-T96 VanDerWaalsContact O-CG2 3.28Å; E92-T96 WeakPolarHBondContact O-CG2 3.35Å; E92-T96 PolarHBondContact O-N 2.76Å; E92-T96 PolarHBondContact O-OG1 2.95Å
97S79.4Confident70.1Confident28 Ų28119.9 Ų119.920%0.19661%0.612CS.*  trans-84.7123.4177.562.70000111.2V93 R99 W100V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 3.12Å; V93-S97 PolarHBondContact O-OG 2.79Å; S97-R99 PolarHBondContact O-N 2.87Å; S97-W100 PolarHBondContact O-N 2.75Å
98N77.3Confident68.7Low171 Ų171120 Ų12091%0.91462%0.617SS**THydrogen-bonded Turntrans-61.66.6169.3-81.338.4000114.1
99R75.1Confident67Low217 Ų217128.8 Ų128.882%0.81964%0.644SS**THydrogen-bonded Turntrans-89.1-12.4-178-65.3-176.962.4-167.9-2.6113S97S97-R99 PolarHBondContact O-N 2.87Å
100W67.3Low64.8Low151 Ų151135.2 Ų135.257%0.57268%0.675SS**  trans-128.9122.6-177.4-58.288.5000109.6F94 S97F94-W100 HydrophobicContact CD2-CB 4.05Å; F94-W100 AromaticContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CD2 3.98Å; F94-W100 HydrophobicContact CD2-CE3 4.39Å; F94-W100 AromaticContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CD2-CG 3.81Å; F94-W100 HydrophobicContact CE1-CB 4.31Å; F94-W100 HydrophobicContact CE2-CB 3.68Å; F94-W100 AromaticContact CE2-CD2 3.54Å; F94-W100 HydrophobicContact CE2-CD2 3.54Å; F94-W100 AromaticContact CE2-CE3 3.54Å; F94-W100 HydrophobicContact CE2-CE3 3.54Å; F94-W100 AromaticContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CG 3.61Å; F94-W100 HydrophobicContact CE2-CZ3 4.34Å; F94-W100 HydrophobicContact CZ-CB 3.82Å; F94-W100 HydrophobicContact CZ-CD2 4.41Å; F94-W100 HydrophobicContact CZ-CE3 4.25Å; F94-W100 HydrophobicContact CZ-CG 4.26Å; S97-W100 PolarHBondContact O-N 2.75Å
101K71.5Confident63.1Low183 Ų183137.2 Ų137.280%0.79668%0.684SS**  trans-96.5133168.5-72.3-166.1172.2-167.80108.7V103K101-V103 PolarHBondContact O-N 3.2Å
102V71.8Confident61.1Low93 Ų93142.3 Ų142.356%0.56471%0.706SS**  trans-72.7112173.3173.60000107.8F94 G104F94-V102 HydrophobicContact CE1-CG2 4.3Å; V102-G104 PolarHBondContact O-N 3.37Å
103V49.3Very low59.2Low149 Ų149147.7 Ų147.790%0.90373%0.731SS**THydrogen-bonded Turntrans-73.2115.2175.7179.50000108.3K101K101-V103 PolarHBondContact O-N 3.2Å
104G57.7Low56.9Low76 Ų76152.1 Ų152.178%0.78475%0.746SS**THydrogen-bonded Turntrans117.76.217900000116.1V102V102-G104 PolarHBondContact O-N 3.37Å
105A51.8Low55.1Low68 Ų68157.4 Ų157.456%0.56277%0.771SS**  trans-94.2-5.1171.600000113.6
106D43.3Very low52.9Low135 Ų135155 Ų15572%0.72277%0.774SS**THydrogen-bonded Turntrans-103.252.7-173.5-59.5-29.4000112
107E47.7Very low50.8Low184 Ų184158.9 Ų158.986%0.8678%0.781SS**THydrogen-bonded Turntrans-111.9-9.1160.1-80.6-170.516800113.7
108D45.2Very low48.3Very low154 Ų154161 Ų16182%0.82481%0.808SS**SBendtrans-145.867.6178-65.8-56.8000112.6
109R39.8Very low46.1Very low241 Ų241158.4 Ų158.491%0.90980%0.803SS**  trans-167.495.8152.4-122.3177.7176.6108.9-2.2111
110E36.3Very low44Very low196 Ų196156.6 Ų156.692%0.91680%0.804SS**  trans-64.9145.2164.2-69.7178.5161.500110.3
111E42.6Very low42.3Very low183 Ų183157.5 Ų157.586%0.85581%0.814SS**  trans-64.9138.6-175.6-60.3164.3160.400112.2
112E34.2Very low40.3Very low199 Ų199154.9 Ų154.993%0.9381%0.814SS**  trans-140.6108140.9-76.3-165.3167.500108.3
113E41Very low38.7Very low188 Ų188157.9 Ų157.988%0.87983%0.827SS**  trans-77.5125155-69.2-172.8162.500107.5
114E32.8Very low38.6Very low185 Ų185156.1 Ų156.186%0.86482%0.818SS**  trans-143.7129.9147.9-85.4-138.4160.100110.8
115E38.6Very low37.4Very low192 Ų192158.2 Ų158.290%0.89782%0.816SS**  trans-73.3127159.4-63.9-176.3153.400108.9
116D29.8Very low36.3Very low154 Ų154161.9 Ų161.982%0.82483%0.831SS**  trans-156.7153.9143.3-155.712.6000113
117K34.3Very low35.9Very low189 Ų189160.1 Ų160.182%0.82283%0.829SS**  trans-71163-170.6-61.5-159.9175.3-169.80114.2
118G28.3Very low35Very low74 Ų74156.9 Ų156.976%0.76383%0.827SS**  trans-67.3156.3-177.700000115.5
119S30Very low34.3Very low115 Ų115158.4 Ų158.480%0.80483%0.826SS**  -178.5138.4123.153.20000110.6
120E30.7Very low34Very low179 Ų179154.5 Ų154.584%0.83682%0.822SS**  trans16.7133.7150.4-67.4-178.5152.400122.3
121H32.2Very low33.6Very low170 Ų170156 Ų15679%0.78782%0.819SS**  trans47.1123.3137.8-95.7-44.9000119.5
122T29.1Very low34.2Very low129 Ų129152.3 Ų152.379%0.79181%0.811SS**  177.5128.8103.732.70000110.7
123D38.8Very low33.9Very low155 Ų155149.8 Ų149.883%0.82980%0.804SS**  trans-78.9150.2149.2-72.5-51.7000108.2
124P46.7Very low33.5Very low112 Ų112146 Ų14673%0.72780%0.798SS**  -153.2135.8104.933.9-13.9000118.1
125V31.9Very low33.5Very low120 Ų120142.1 Ų142.173%0.72779%0.792SS**  46.1126119-1700000122.2
126V29.9Very low33.3Very low146 Ų146140.9 Ų140.989%0.88579%0.786SS**  trans-146.1105.1133.1-177.50000107.1
127S33.5Very low33.5Very low98 Ų98143 Ų14369%0.68578%0.782SS**  89.3114.857.6-150.20000115.7
128S29.3Very low33.5Very low116 Ų116138 Ų13881%0.81177%0.771SS**  trans-172.1133.2156.2-71.90000107
129K30.9Very low34Very low186 Ų186141.7 Ų141.781%0.80977%0.772SS**  cis-172.6152.2-3.6-169.9118.6174-177.70105.9
130I32.4Very low34.2Very low158 Ų158146 Ų14681%0.8178%0.776SS**  trans91.7126.7155.2-39.4-171.9000119.4
131R27.8Very low34.2Very low227 Ų227140.7 Ų140.786%0.85777%0.77SS**  trans-126.4-171.6-178.2-100.2-171.5-179-1432.1106.5
132P57.1Low34.2Very low107 Ų107139.5 Ų139.570%0.69577%0.77SS**  cis-140.9-179.7-3937.1-19.3000113.5
133N27.6Very low34.6Very low145 Ų145141 Ų14178%0.77577%0.766SS**  -165.3132.5129.654.1-1000114.5
134S32Very low34.3Very low108 Ų108141.6 Ų141.676%0.75576%0.763SS**  trans39.1144.1144.268.40000121.7
135S31.9Very low33.6Very low105 Ų105139.6 Ų139.673%0.73476%0.762SS**  cis-175.8142.22033.50000111.2
136E35Very low33.7Very low166 Ų166139.8 Ų139.878%0.77677%0.769SS**  trans45.2129.6138.4-70.5-14811000126.2
137R33.3Very low34.9Very low198 Ų198138.1 Ų138.175%0.74776%0.761SS**  101.8117.4120.8-99.1177166.5-108.3-2.4122.7
138S34.4Very low35Very low83 Ų83139.5 Ų139.558%0.5877%0.766SS**  65.2143.6125.1-77.50000120.2
139L39.3Very low35.2Very low152 Ų152139.4 Ų139.480%0.79676%0.76SS**  cis-175.9168.24-107.7167.6000109.5
140K35Very low35.3Very low205 Ų205137.8 Ų137.889%0.89176%0.76SS**  trans85.2133.2163-76.5171.2171.2176.40117.7
141G30.3Very low35.6Very low69 Ų69139 Ų13971%0.71176%0.76SS**  cis169.7156.5-0.100000112.4
142N32.6Very low35.8Very low145 Ų145139.4 Ų139.478%0.77576%0.761SS**  trans72112.7166.1-80.524.7000120.1
143K36.9Very low34.6Very low161 Ų161142.9 Ų142.970%0.777%0.768SS**  77.7131.863.1-78.5-176.7165.2-162.90111.7
144H33.1Very low34.7Very low167 Ų167143.7 Ų143.777%0.77377%0.772SS**  cis-159.3161.13-80.5-70.1000103.7
145G31.6Very low35.3Very low69 Ų69143.7 Ų143.771%0.71177%0.773SS**  cis131.193.32600000109.3
146S34.1Very low35.9Very low125 Ų125144.9 Ų144.987%0.87478%0.778SS**  trans55.1160.1138-69.60000124.7
147P55.9Low36Very low111 Ų111143.4 Ų143.472%0.72178%0.775SS**  trans-110.3170.6-155.741.1-30.5000114.4
148T33.9Very low36.2Very low127 Ų127138.9 Ų138.978%0.77978%0.78SS**  trans-176.8135.4146.643.60000114.8
149T35.2Very low36.6Very low114 Ų114139.2 Ų139.270%0.69978%0.782SS**  trans56.1119137.767.70000122.8
150N31.7Very low37Very low151 Ų151137.6 Ų137.681%0.80778%0.781SS**  168.5143.7100.6-100.4-28.5000114.9
151K39Very low37.7Very low185 Ų185134.3 Ų134.380%0.80478%0.781SS**  trans-30.7139169.4-65.3153.2167.9170.80118.7
152R31.4Very low38.2Very low234 Ų234142.3 Ų142.388%0.88379%0.79SS**  166.2145.2102.2-83.7-172.5-174.9-154-0.1112.7
153H33Very low38.5Very low180 Ų180146.3 Ų146.383%0.83379%0.794SS**  trans-8.5133.5169.2-67.6-87.4000121.1
154D29.9Very low38.5Very low162 Ų162146 Ų14687%0.86680%0.798SS**  -173.4137.9104.2-125.8-17.9000110.8
155S43.6Very low38.7Very low109 Ų109148.4 Ų148.476%0.76280%0.8SS**  trans-94.2157.3171-61.40000109.6
156P44.8Very low38.7Very low129 Ų129152.8 Ų152.884%0.83880%0.802SS**  -144.2146.4111.529-10000117.1
157D36.5Very low38.6Very low135 Ų135153.8 Ų153.872%0.72280%0.797SS**  trans-46141.6161.4173.521.9000114.8S159D157-S159 PolarHBondContact OD1-N 3.09Å; D157-S159 PolarHBondContact OD1-OG 2.73Å; D157-S159 VanDerWaalsContact OD1-OG 3.11Å
158A39Very low37.8Very low104 Ų104153.9 Ų153.986%0.8680%0.801SS**  trans-12481.2174.200000109.9
159S41.5Very low38.3Very low89 Ų89154 Ų15462%0.62280%0.804SS**PPolyproline II helixtrans-101146.1166.5-67.50000110.9D157D157-S159 PolarHBondContact OD1-N 3.09Å; D157-S159 PolarHBondContact OD1-OG 2.73Å; D157-S159 VanDerWaalsContact OD1-OG 3.11Å
160P47.8Very low38.9Very low118 Ų118155.2 Ų155.277%0.76681%0.806SS**PPolyproline II helixtrans-79.3147.2-170.731.4-34000112.8R162P160-R162 PolarHBondContact O-N 3.21Å
161P50.8Low39.2Very low137 Ų137152.6 Ų152.689%0.8981%0.806SS**PPolyproline II helixtrans-80.7128.1-170.230.7-32.7000113.1
162R41Very low39.4Very low237 Ų237149 Ų14989%0.89480%0.803SS**  trans-108125.6153.2-70.8-176.4-178.7-157.61.2109.1P160P160-R162 PolarHBondContact O-N 3.21Å
163R39.1Very low40.3Very low228 Ų228143.4 Ų143.486%0.8680%0.797SS**  trans-151.3111.7148.8-71.8-170.865.8-166.8-2.5108
164I36.1Very low41.1Very low154 Ų154140.4 Ų140.479%0.7979%0.794SS**  84.112981.3-66.5162.7000113
165R36.5Very low41.7Very low218 Ų218143.9 Ų143.982%0.82380%0.795SS**  trans-70.7156.4-171.8-58.2166.7175.7165.3-2.4113.6
166H33.2Very low41.4Very low161 Ų161148.5 Ų148.575%0.74580%0.801SS**  178.9147.1104.3-99.7-78.7000115.3
167D30.2Very low41.1Very low146 Ų146147.6 Ų147.678%0.78179%0.793SS**  trans86.5123.7153.4-62.3-8.4000123.3
168S40.8Very low41Very low114 Ų114151.3 Ų151.380%0.79780%0.797SS**  trans-68.2161.8-178.8-48.40000114.1
169P42.9Very low40.7Very low128 Ų128153.2 Ų153.283%0.83179%0.788SS**  -131.6143.511328-13.5000114.3
170D47.3Very low40.1Very low141 Ų141155 Ų15575%0.75479%0.79SS**  trans-52.8132.2165175.225.3000112.8S172D170-S172 PolarHBondContact OD1-N 2.74Å
171A39.5Very low39.8Very low96 Ų96154.7 Ų154.779%0.79379%0.791SS**  trans-156.472.916300000110.4
172S43.4Very low39.5Very low108 Ų108153.9 Ų153.976%0.75579%0.786SS**  trans-79.5141.9160.5-59.80000110.8D170D170-S172 PolarHBondContact OD1-N 2.74Å
173P49.2Very low39.3Very low117 Ų117150 Ų15076%0.7678%0.783SS**  trans-149.1166.5132.639.2-23.7000114.1
174P51Low39.7Very low117 Ų117144.6 Ų144.676%0.7678%0.775SS**  -127.8167.1-57.734.8-18.4000112.4
175R41Very low39.9Very low235 Ų235143.1 Ų143.189%0.88778%0.778SS**  trans-67.2134.6165.2-68.9179-179.5-139.5-0.6110.8
176K37.8Very low40.3Very low207 Ų207138.1 Ų138.190%0.977%0.774SS**  trans-135.2146.1147.2-81.7-167.4177.6-177.50110.8
177V38.9Very low41.1Very low109 Ų109136.2 Ų136.266%0.66178%0.776SS**  trans-119.2138.8-166.3164.40000107.9
178R34.9Very low41.9Very low213 Ų213141.2 Ų141.280%0.80478%0.784SS**  trans68.6144.2162-69.3166.5-166.7-177.32116.8
179H31.7Very low41.6Very low144 Ų144145.8 Ų145.867%0.66779%0.789SS**  cis-155.1158.229.3-107.2-74.9000112.2
180D29.9Very low41.4Very low126 Ų126145.7 Ų145.767%0.67479%0.786SS**  trans54.4107.7140.5-55.7-22.8000123.9
181S40.8Very low40.8Very low113 Ų113149.5 Ų149.579%0.7979%0.79SS**  50.8166127-51.40000121.2
182P44.3Very low40.4Very low119 Ų119152.4 Ų152.477%0.77379%0.787SS**  cis-129.6156.5-3.137.3-20.1000114
183D37.1Very low39.7Very low157 Ų157153.8 Ų153.884%0.8479%0.786SS**  trans-129.8106.7154.9-159.48.3000112.2
184V47.1Very low39Very low114 Ų114153.5 Ų153.569%0.69179%0.787SS**  trans3.7105.3153.9-167.90000117.6
185S39.9Very low38.9Very low122 Ų122153.8 Ų153.885%0.85379%0.789SS**  trans-159.5113.7144.1-79.40000111.2
186P45.6Very low38.6Very low114 Ų114149.7 Ų149.774%0.7479%0.785SS**  trans-126.7170.2162.342.5-30000111.5
187P50Low38.6Very low121 Ų121145.1 Ų145.179%0.78677%0.774SS**  -132.1177.5-70.132.2-13000112
188R47Very low38.5Very low250 Ų250145.4 Ų145.494%0.94378%0.78SS**  trans-58.4136.2166.7-71.3178.9179.2-131.7-0.8111.4
189K35.1Very low39Very low210 Ų210140.9 Ų140.991%0.91378%0.778SS**  trans-142.2142.8154.4-120.7178.2-179-177.20111.5
190T39Very low39.5Very low126 Ų126139.8 Ų139.877%0.77378%0.784SS**  trans-85.7147.5179.647.90000112.7
191R34.1Very low39.7Very low222 Ų222144.4 Ų144.484%0.83879%0.792SS**  trans77.8126.5143.4-79.9-175.7-175.8175.81.8122.4
192H30.7Very low39.4Very low156 Ų156147.5 Ų147.572%0.72279%0.794SS**  trans104.1129.7141.9-75.3-64.2000122.3
193D29.2Very low39Very low138 Ų138149.8 Ų149.874%0.73879%0.794SS**  trans60.8119154.4-67.6-18.8000121.1
194S34.1Very low39Very low111 Ų111148 Ų14878%0.77679%0.794SS**  -177.4-173.794.5-57.90000108.9
195P49.2Very low38.4Very low123 Ų123146.2 Ų146.280%0.79980%0.799SS**  -110.4-178.4-124.519.37.4000112.5
196D33.8Very low38.3Very low149 Ų149149.5 Ų149.580%0.79780%0.798SS**  trans123.1139.5133.6-150.517000118.3
197V38.6Very low37.9Very low111 Ų111151.9 Ų151.967%0.67380%0.799SS**  trans68.790.4162-147.90000120.2
198S35.7Very low37Very low114 Ų114157 Ų15780%0.79780%0.803SS**PPolyproline II helixtrans-79.2139.9150.2-61.60000111
199P45.3Very low36.4Very low118 Ų118155 Ų15577%0.76680%0.801SS**PPolyproline II helixtrans-97.2142.3157.727.4-18.8000112.2
200P43Very low36.3Very low121 Ų121149.1 Ų149.179%0.78679%0.791SS**PPolyproline II helixtrans-85.8151.7-165.933.8-35.4000114.3
201R35.2Very low36Very low224 Ų224152.4 Ų152.485%0.84580%0.798SS**PPolyproline II helixtrans-81.3127.8172-137.7173.2-172.5-1131.7109.8
202Q34.6Very low36Very low177 Ų177147.3 Ų147.383%0.82780%0.796SS**  trans-137.5113162.1-75.4-75.7-29.400108.7
203H35.2Very low36.3Very low168 Ų168149.4 Ų149.478%0.77880%0.803SS**  trans-115.8125.9159.7-88.7-67.2000108.8
204S36.4Very low36.4Very low119 Ų119149.7 Ų149.783%0.83281%0.805SS**  trans-64.5156.2168.451.10000113.5
205G34.7Very low36.5Very low77 Ų77149.3 Ų149.379%0.79480%0.802SS**  trans12669.2139.100000119.1
206K38.3Very low35.7Very low191 Ų191148.8 Ų148.883%0.8380%0.802SS**  trans9.7137.2136.4-96.5167.3179.5169.10122.1
207Q36.2Very low36.4Very low164 Ų164147 Ų14777%0.76680%0.798SS**  trans86.5134.2138.5-59.5-90-47.200116.4
208R32.4Very low36.1Very low228 Ų228146.5 Ų146.586%0.8680%0.799SS**  cis-153.5154.620.4-61.5175.283.6172.3-0.1112.9
209K33.6Very low36Very low207 Ų207152.3 Ų152.390%0.980%0.804SS**  trans-14.2140.8159.2-70.8176.1168.8179.80119.7
210A32.3Very low35.3Very low87 Ų87151.1 Ų151.172%0.71980%0.798SS**  178.9133.194.300000113.4
211Q34.5Very low34.8Very low196 Ų196153.5 Ų153.592%0.91680%0.796SS**  trans57.3132.8149.5-57.2-173.7-20.900118.1
212S33.1Very low34.6Very low114 Ų114150.6 Ų150.680%0.79779%0.792SS**  cis-157.3148.930.8490000110.5
213K36Very low34.5Very low200 Ų200147.5 Ų147.587%0.8779%0.79SS**  trans-71137.1160.8-60.4173.1175.5-178.30107.8
214D32.7Very low34.6Very low145 Ų145144.2 Ų144.278%0.77579%0.785SS**  176132.393.8-142.2-12.2000111.9
215S36.4Very low34.5Very low102 Ų102145.4 Ų145.471%0.71378%0.783SS**  trans47.7117.7145.7-62.70000123.9
216S31.8Very low34.5Very low113 Ų113152.2 Ų152.279%0.7978%0.784SS**  trans-34.4178.7149-43.20000116.1
217P48.8Very low34.2Very low112 Ų112154.8 Ų154.873%0.72779%0.789SS**  cis-150.9168.216.342-19.4000119.9
218S32.5Very low34.1Very low99 Ų99152.3 Ų152.369%0.69279%0.79SS**  trans28.9129.8139.176.50000124.5
219R32.4Very low35Very low237 Ų237147.3 Ų147.389%0.89479%0.787SS**  56.1118.8122.8-78.6179.5158.7171.3-5.5121.1
220S30.6Very low35.3Very low92 Ų92142 Ų14264%0.64377%0.768SS**  83.6112116.2176.20000121.3
221K33.3Very low35.4Very low172 Ų172144.3 Ų144.375%0.74877%0.773SS**  trans94.9118.2133-76.7178.2-174.7-175.70121.9
222H30Very low35.6Very low162 Ų162142.6 Ų142.675%0.7576%0.758SS**  107.7140.6123.8-75.81.7000120.8
223S32.9Very low35.6Very low112 Ų112147.3 Ų147.378%0.78376%0.758SS**  trans81.4142.3153.7-1540000116.1
224S37.1Very low35.9Very low99 Ų99143 Ų14369%0.69275%0.753SS**  cis-170.1135-8.235.90000108.1
225N34.6Very low37.2Very low145 Ų145140.7 Ų140.778%0.77575%0.746SS**  trans43122.3132.7-147.113.3000121.1
226R34.5Very low37.1Very low219 Ų219144.4 Ų144.483%0.82675%0.752SS**  155.8120114.1-84.5-178-168.8-143.23.9112.9
227R31.9Very low37.3Very low245 Ų245142.4 Ų142.493%0.92574%0.743SS**  161.1116.2114.2-96.8-179.5172.3-145-1.8112.4
228S34.3Very low37Very low112 Ų112145.6 Ų145.678%0.78375%0.745SS**  trans-79.6-178.6161-43.10000110.8
229P51.9Low37.2Very low123 Ų123151.3 Ų151.380%0.79975%0.751SS**  -136.6148.259.626-2.8000114.1
230D38.8Very low37.7Very low96 Ų96145.8 Ų145.851%0.51374%0.744SS.*  80.2114.256.7-161.223.5000115.1R232D230-R232 WeakPolarHBondContact OD1-CG 3.47Å; D230-R232 IonicContact OD1-NE 3.74Å; D230-R232 IonicContact OD2-CZ 3.36Å; D230-R232 IonicContact OD2-NE 2.88Å; D230-R232 PolarHBondContact OD2-NE 3.48Å; D230-R232 IonicContact OD2-NH2 2.94Å; D230-R232 PolarHBondContact OD2-NH2 3.12Å
231V35.3Very low38.1Very low135 Ų135149.3 Ų149.382%0.81875%0.751SS**  trans-164.895.9133.4-178.20000106.9
232R39.2Very low38.2Very low161 Ų161147 Ų14761%0.60875%0.746SS**  68.3140.887.8-66.4-176.6-172.6-118.8-8115.2D230D230-R232 WeakPolarHBondContact OD1-CG 3.47Å; D230-R232 IonicContact OD1-NE 3.74Å; D230-R232 IonicContact OD2-CZ 3.36Å; D230-R232 IonicContact OD2-NE 2.88Å; D230-R232 PolarHBondContact OD2-NE 3.48Å; D230-R232 IonicContact OD2-NH2 2.94Å; D230-R232 PolarHBondContact OD2-NH2 3.12Å
233R33.5Very low38.3Very low212 Ų212151.2 Ų151.280%0.876%0.756SS**  cis-167.4149.45.9-124.6171.7179.7-141.2-2.5110
234S40.4Very low38.6Very low109 Ų109154.2 Ų154.276%0.76276%0.757SS**  trans-73.3-156.7179.7-37.40000113.1
235P61Low38.4Very low97 Ų97156.4 Ų156.463%0.6376%0.761SS**  cis-150.4179.913.735.3-8000116
236H33.6Very low38.5Very low180 Ų180154.7 Ų154.783%0.83376%0.76SS**  166.216277.1-98.5-27.6000106.2
237A37.1Very low38.5Very low72 Ų72151 Ų15160%0.59576%0.757SS**  cis178.8134.2-13.500000103.4
238K42.4Very low38.8Very low178 Ų178144.4 Ų144.477%0.77475%0.749SS**  151.1126.199.3-82.4-162.5-177172.60106.2
239R35.9Very low39.2Very low219 Ų219146 Ų14683%0.82675%0.748SS**  61.4125.7112.2-8216965.3-179.6-0.4113.9
240T42.8Very low39Very low121 Ų121149.6 Ų149.674%0.74275%0.754SS**  cis-163.4131.926.230.90000108
241Q39.3Very low39.3Very low167 Ų167149.5 Ų149.578%0.7876%0.761SS**  20.4138.8107.9-68.8-152.1-22.100116.2
242N34.7Very low39.8Very low123 Ų123148.8 Ų148.866%0.65876%0.759SS**  cis-172.61485.3-105.8-10.4000104.6
243R33.4Very low40Very low250 Ų250147.3 Ų147.394%0.94377%0.77SS**  166.2125122.8-89.2167.6-172.5179.72.3111
244H39Very low40.3Very low175 Ų175148.9 Ų148.981%0.8178%0.776SS**  trans-60.2145.5165.9-99.8-95.5000110.8
245D32.3Very low40.5Very low145 Ų145153.6 Ų153.678%0.77578%0.783SS**  -175.6138108.1-85.4-32.2000111.4
246S36.4Very low39.5Very low109 Ų109158.3 Ų158.376%0.76279%0.794SS**  trans44.5133.6147.1-55.90000123
247D35Very low40.2Very low143 Ų143155.7 Ų155.777%0.76579%0.793SS**  trans110.7112.8133.4-121.9-17.6000118.5
248S38.8Very low40.5Very low106 Ų106159.1 Ų159.174%0.74181%0.806SS**  trans10.2109.5140.4-410000117.5
249D42.2Very low40.2Very low145 Ų145159.4 Ų159.478%0.77581%0.807SS**  -164.5114.4124.2-138.5-23.8000111.4
250Q48.1Very low40Very low199 Ų199159.6 Ų159.693%0.9381%0.808SS**  trans-96.689.7167.7-85.1-106-32.100107.2
251S44.4Very low39.7Very low93 Ų93162.2 Ų162.265%0.6581%0.812SS**  trans-139.1130.6167.1-73.90000111.2
252P46.3Very low39.3Very low120 Ų120159 Ų15978%0.77981%0.814SS**PPolyproline II helixtrans-75.2151.8-178.727.9-31.7000113.1R254P252-R254 PolarHBondContact O-N 2.77Å
253P43.5Very low39.4Very low130 Ų130158.4 Ų158.484%0.84482%0.819SS**PPolyproline II helixtrans-73.6126-162.427.4-34.7000114.4
254R39.7Very low39.3Very low245 Ų245153.4 Ų153.493%0.92581%0.811SS**PPolyproline II helixtrans-84.3120164.5-75.6-177.8174.5-160.4-1.8110.4P252P252-R254 PolarHBondContact O-N 2.77Å
255K43.6Very low39Very low209 Ų209149 Ų14991%0.90980%0.8SS**PPolyproline II helixtrans-75.5126.5168.1-72.2-176176.1-179.90110
256K41.9Very low39.3Very low196 Ų196148.6 Ų148.685%0.85280%0.798SS**PPolyproline II helixtrans-94.7145.1165.8-68.5-174.5177.5-178.90109.9
257P46.8Very low39.4Very low125 Ų125151.5 Ų151.581%0.81280%0.8SS**PPolyproline II helixtrans-87.6144.2162.634-28.6000110.5
258V43.3Very low39.7Very low144 Ų144149.9 Ų149.987%0.87380%0.799SS**PPolyproline II helixtrans-102.3127.4172.1-165.70000108.7
259K36Very low39.9Very low183 Ų183150.7 Ų150.780%0.79680%0.802SS**PPolyproline II helixtrans-69.3151174.5-68.3174.4165.5-177.10112.1
260R33.5Very low40Very low224 Ų224150 Ų15085%0.84581%0.805SS**  153109.2115-83.2-174.2175.5-172-3.2110.6
261E34.6Very low40Very low176 Ų176152 Ų15282%0.82280%0.804SS**  83.4104.687.3-74.6-71.5170.400112.6
262A31.6Very low39.6Very low99 Ų99159.7 Ų159.782%0.81882%0.819SS**  trans-164.1104.6146.700000110.2
263S36.5Very low39.2Very low111 Ų111165.6 Ų165.678%0.77683%0.826SS**  trans12.8138.8145.7-55.10000122.4
264D31.6Very low39.6Very low144 Ų144165.3 Ų165.377%0.7782%0.824SS**  102106.1129.9-121-11000119.6
265S33.2Very low39.8Very low84 Ų84163.7 Ų163.759%0.58782%0.824SS**  trans59.2116.8130.5-68.40000121.3
266N39.4Very low39.4Very low136 Ų136157.1 Ų157.173%0.72782%0.815SS**  87.5126.2129.7-68.4-28.8000121.1
267Q37.1Very low39.3Very low170 Ų170159.4 Ų159.479%0.79482%0.819SS**  trans85.1100.3136.1-69.6167.1-6.400119.8
268S40.9Very low38.8Very low108 Ų108163.1 Ų163.176%0.75583%0.825SS**  trans80.6132.5139.3-530000120
269P43.2Very low38.3Very low124 Ų124159.8 Ų159.881%0.80582%0.82SS**PPolyproline II helixtrans-77.2129.8171.929-30.3000111.8R271P269-R271 PolarHBondContact O-N 2.84Å
270P45.5Very low38.3Very low130 Ų130157.3 Ų157.384%0.84483%0.826SS**PPolyproline II helixtrans-79.2121.2-178.428.5-31.6000112.8
271R47Very low38.4Very low241 Ų241154 Ų15491%0.90983%0.825SS**PPolyproline II helixtrans-64132.1157-85.5173.4161.9172.5-3.6110.7P269P269-R271 PolarHBondContact O-N 2.84Å
272R36.9Very low38.7Very low254 Ų254149.6 Ų149.696%0.95881%0.813SS**  trans-146.1134.4142.1-77.7-155.3166.6-157.6-3.7113.2
273R38.2Very low39.4Very low244 Ų244151.5 Ų151.592%0.92181%0.81SS**  trans-88.7163.9179.3-65.9172.888.1172.86.7111.5
274P50.6Low39.8Very low124 Ų124156 Ų15681%0.80582%0.819SS**  trans-102.6158-172.538.4-31000114.8
275K43.7Very low40.6Very low211 Ų211153.6 Ų153.692%0.91781%0.813SS**  trans-142.8117.6151.5-75.6-167.4174.2-175.30104.6
276G36.2Very low41.3Very low71 Ų71155 Ų15573%0.73282%0.82SS**  79.2116.457.900000108.8
277R38.9Very low41.8Very low244 Ų244154.9 Ų154.992%0.92183%0.827SS**  cis-161.3151.416-75.7173.4166.2-121.9-2.2109.5
278Q36Very low42.1Very low203 Ų203158.3 Ų158.395%0.94983%0.833SS**  trans155.9119.7141.1-134.4121.7-4.900105.4
279G33.1Very low42.5Very low74 Ų74162.7 Ų162.776%0.76383%0.832SS**  cis165.7113.20.900000104.2
280S36.1Very low42.7Very low132 Ų132162.5 Ų162.592%0.92383%0.831SS**  trans-167.5143158.5-150.30000109.7
281D36.4Very low42.4Very low154 Ų154166.4 Ų166.482%0.82483%0.829SS**  trans-88.1158.3-146.5-165.39.7000113.8
282S39.6Very low41.9Very low83 Ų83161.3 Ų161.358%0.5883%0.83SS**  trans-94.3172.6-162.5-34.90000112.6
283D46.5Very low41.9Very low140 Ų140152.3 Ų152.375%0.74982%0.817SS**  trans78.2110.8140.1-60.2-25.2000120.5S285D283-S285 PolarHBondContact O-N 3.19Å
284Q45.6Very low42.4Very low205 Ų205149.4 Ų149.496%0.95881%0.811SS**  trans-6280.8153-64.8-132.7-27.200111.1
285S48.4Very low41.6Very low93 Ų93149.9 Ų149.965%0.6581%0.807SS**  trans-118.9146.4163.9-73.70000111D283D283-S285 PolarHBondContact O-N 3.19Å
286P48.6Very low41.5Very low114 Ų114145 Ų14574%0.7480%0.799SS**PPolyproline II helixtrans-63.2145-177.5-16.229000112.1R288P286-R288 PolarHBondContact O-N 3.46Å
287P48.7Very low42.3Very low133 Ų133150 Ų15086%0.86481%0.809SS**PPolyproline II helixtrans-66.7118.1-166.325.3-34000112.8
288R44.7Very low42.5Very low243 Ų243141.1 Ų141.192%0.91779%0.793SS**PPolyproline II helixtrans-91.4118.4163.6-70.3-173.8178.7-171.60.5109.4P286P286-R288 PolarHBondContact O-N 3.46Å
289R47.7Very low43.2Very low199 Ų199138 Ų13875%0.75178%0.783SS**PPolyproline II helixtrans-74.2125.6176-172.5-177.3-176.6-158.14.1110
290P48Very low44.2Very low120 Ų120142.5 Ų142.578%0.77979%0.789SS**PPolyproline II helixtrans-92.7124.7165.232.6-26.7000109.9
291R40.1Very low45.1Very low213 Ų213139.9 Ų139.980%0.80477%0.77SS**  trans-116.9105149.8-83.1-170.1162.9-172.9-5.2106.5
292S36.6Very low46.2Very low133 Ų133137.8 Ų137.893%0.9377%0.766SS**  trans-84.7122159.6179.70000107.1
293G37.1Very low47Very low65 Ų65139.9 Ų139.967%0.6778%0.777SS**  trans175.283.2-179.100000108.5
294K47.1Very low47.2Very low183 Ų183144.9 Ų144.980%0.79679%0.785SS**  48104.2129.9-157.280176.6-1750115.2
295D34Very low47.2Very low135 Ų135146.7 Ų146.772%0.72278%0.783SS**  152.4127.9128.2-75.6-38.6000112.1
296S42.5Very low47.1Very low108 Ų108148 Ų14876%0.75579%0.793SS**  trans68.7126140-52.50000120.6G298S296-G298 PolarHBondContact O-N 2.91Å
297D51.9Low47.2Very low176 Ų176144.9 Ų144.994%0.94178%0.781SS**  trans-28.2126157.8-70.2-51.9000113.9
298G43.7Very low47Very low58 Ų58143.8 Ų143.860%0.59877%0.774SS**  trans-161.876.9174.600000110S296 L300S296-G298 PolarHBondContact O-N 2.91Å; G298-L300 VanDerWaalsContact C-N 3.34Å; G298-L300 PolarHBondContact O-N 3.3Å
299D51.1Low47.1Very low137 Ų137137.9 Ų137.973%0.73377%0.77SS**  trans-54.397.7162.6179.58.5000108.8S301D299-S301 PolarHBondContact O-N 3.42Å; D299-S301 WeakPolarHBondContact OD1-CB 3.37Å; D299-S301 PolarHBondContact OD1-N 2.85Å; D299-S301 VanDerWaalsContact OD1-N 3.07Å; D299-S301 PolarHBondContact OD1-OG 3.3Å
300L54.3Low47.7Very low168 Ų168134.3 Ų134.388%0.8876%0.762SS**  trans-93.136174.2-67.7178000111.2G298G298-L300 VanDerWaalsContact C-N 3.34Å; G298-L300 PolarHBondContact O-N 3.3Å
301S54.5Low48.4Very low77 Ų77130.7 Ų130.754%0.53875%0.746SS.*  trans-62.8126.7155.8-590000108D299D299-S301 PolarHBondContact O-N 3.42Å; D299-S301 WeakPolarHBondContact OD1-CB 3.37Å; D299-S301 PolarHBondContact OD1-N 2.85Å; D299-S301 VanDerWaalsContact OD1-N 3.07Å; D299-S301 PolarHBondContact OD1-OG 3.3Å
302P60.3Low49.7Very low111 Ų111125.3 Ų125.372%0.72174%0.739SS**  trans-51.5131.2169.5-22.231.4000108.2R304P302-R304 PolarHBondContact O-N 3.45Å
303P56.5Low51.4Low127 Ų127124.3 Ų124.383%0.82572%0.715SS**  trans-53.9115.9-176.618.1-29.2000108.2R305P303-R305 PolarHBondContact O-N 2.89Å
304R50.9Low53.2Low244 Ų244126.7 Ų126.792%0.92171%0.71SS**  trans-60.595.6167-74.2-177-175.6-120.91.8105.2P302 S306P302-R304 PolarHBondContact O-N 3.45Å; R304-S306 VanDerWaalsContact C-N 3.33Å; R304-S306 PolarHBondContact O-N 2.85Å
305R45.3Very low54.3Low243 Ų243127.3 Ų127.392%0.91772%0.721SS**  trans-51.7107.2163.6-123.1176.7179.2-119.91.2105P303 G307P303-R305 PolarHBondContact O-N 2.89Å; R305-G307 PolarHBondContact O-N 3.4Å
306S46Very low55.8Low122 Ų122125.1 Ų125.185%0.85372%0.716SS**  trans-65.970.2161.641.70000107.4R304R304-S306 VanDerWaalsContact C-N 3.33Å; R304-S306 PolarHBondContact O-N 2.85Å
307G50.5Low57.2Low47 Ų47121.7 Ų121.749%0.48570%0.698SS.*  trans-64.1152.1157.400000108.3R305 S309R305-G307 PolarHBondContact O-N 3.4Å; G307-S309 PolarHBondContact O-N 3.37Å; G307-S309 VanDerWaalsContact O-N 3.12Å
308P44.9Very low58.4Low111 Ų111113.6 Ų113.672%0.72166%0.656SS**SBendtrans-53.1125.4-177.523.6-33000108.8Q310P308-Q310 PolarHBondContact O-N 2.9Å
309S46.6Very low60.1Low119 Ų119115.6 Ų115.683%0.83265%0.648SS**  trans-28.396.4173.6177.40000111.1G307G307-S309 PolarHBondContact O-N 3.37Å; G307-S309 VanDerWaalsContact O-N 3.12Å
310Q58.8Low61.1Low123 Ų123110.7 Ų110.758%0.57563%0.627SS**PPolyproline II helixtrans-79.7118.7163-66.7-67.3-54.700103.4P308P308-Q310 PolarHBondContact O-N 2.9Å
311G62.8Low62.1Low44 Ų44105.9 Ų105.945%0.45462%0.618SS.*PPolyproline II helixtrans-51.8173.5-179.300000113.2R313G311-R313 PolarHBondContact O-N 3.5Å
312P68Low62.9Low101 Ų101111.4 Ų111.466%0.65664%0.641SS**PPolyproline II helixtrans-51.4129.6-175.323.6-33.3000109.8A320P312-A320 HydrophobicContact CB-CB 4.12Å; P312-A320 HydrophobicContact CG-CB 4.49Å; P312-A320 WeakPolarHBondContact O-CA 3.46Å; P312-A320 VanDerWaalsContact O-CB 3.24Å; P312-A320 WeakPolarHBondContact O-CB 3.4Å; P312-A320 PolarHBondContact O-N 2.87Å
313R72.8Confident63.3Low111 Ų111108.4 Ų108.442%0.41962%0.62SS.*BIsolated β-bridgetrans-115.6147.7177.4-74.7177.6178.5-98.30.3109.1G311 G317 G318G311-R313 PolarHBondContact O-N 3.5Å; R313-G317 PolarHBondContact NH1-O 3.47Å; R313-G318 CarbonylContact C-O 3.39Å; R313-G318 WeakPolarHBondContact CA-O 3.25Å; R313-G318 WeakPolarHBondContact CB-O 3.24Å
314M75.1Confident64.2Low115 Ų115105.9 Ų105.957%0.56761%0.605SS**  trans-75.3164.3174.8-61.9-174.570.300111S316 G317 G318 A320M314-S316 PolarHBondContact O-N 3.44Å; M314-S316 VanDerWaalsContact O-N 3.12Å; M314-G317 WeakPolarHBondContact O-CA 3.45Å; M314-G317 PolarHBondContact O-N 3.23Å; M314-G318 PolarHBondContact N-O 2.91Å; M314-A320 HydrophobicContact CG-CB 3.84Å
315L70.1Confident65.3Low196 Ų196100.3 Ų100.3100%1.02659%0.593SS**THydrogen-bonded Turntrans-58.5-21.4174-74.4131.4000113.2G317L315-G317 PolarHBondContact O-N 3.29Å
316S65.9Low67Low89 Ų8994.5 Ų94.562%0.62258%0.58SS**THydrogen-bonded Turntrans-78.9-0.8172.157.40000114.1M314 G318M314-S316 PolarHBondContact O-N 3.44Å; M314-S316 VanDerWaalsContact O-N 3.12Å; S316-G318 VanDerWaalsContact C-N 3.31Å; S316-G318 PolarHBondContact O-N 3.15Å
317G70.5Confident68.6Low36 Ų3690.9 Ų90.937%0.37155%0.552SS.*SBendtrans84.7-5.7-177.900000115.3R313 M314 L315R313-G317 PolarHBondContact NH1-O 3.47Å; M314-G317 WeakPolarHBondContact O-CA 3.45Å; M314-G317 PolarHBondContact O-N 3.23Å; L315-G317 PolarHBondContact O-N 3.29Å
318G78.6Confident69.8Low7 Ų793 Ų937%0.07255%0.552CS.*SBendtrans-77.8159.1-179.100000114.3R313 M314 S316 E331R313-G318 CarbonylContact C-O 3.39Å; R313-G318 WeakPolarHBondContact CA-O 3.25Å; R313-G318 WeakPolarHBondContact CB-O 3.24Å; M314-G318 PolarHBondContact N-O 2.91Å; S316-G318 VanDerWaalsContact C-N 3.31Å; S316-G318 PolarHBondContact O-N 3.15Å; G318-E331 WeakPolarHBondContact CA-OE1 3.26Å
319K78.5Confident71.5Confident99 Ų9994 Ų9443%0.4355%0.545SS..BIsolated β-bridgetrans-67.9129.3176.5-68.3174.4-179-179.60110.9V323 V327 E331K319-V323 HydrophobicContact CB-CG2 4.38Å; K319-V327 HydrophobicContact CD-CG1 3.95Å; K319-E331 PolarHBondContact N-OE1 3.37Å; K319-E331 PolarHBondContact N-OE2 3.25Å
320A72.3Confident73.2Confident35 Ų3596 Ų9629%0.28954%0.539SS..PPolyproline II helixtrans-96.4137.4-179.300000111.8P312 M314P312-A320 HydrophobicContact CB-CB 4.12Å; P312-A320 HydrophobicContact CG-CB 4.49Å; P312-A320 WeakPolarHBondContact O-CA 3.46Å; P312-A320 VanDerWaalsContact O-CB 3.24Å; P312-A320 WeakPolarHBondContact O-CB 3.4Å; P312-A320 PolarHBondContact O-N 2.87Å; M314-A320 HydrophobicContact CG-CB 3.84Å
321G75.8Confident74.3Confident66 Ų6691.5 Ų91.568%0.6852%0.518SS*.SBendtrans129.4-173.2177.400000114.2V323G321-V323 PolarHBondContact O-N 3.06Å
322L69.8Low75.1Confident194 Ų19496.1 Ų96.1100%1.01653%0.527SS*.SBendtrans-69.992.1169-76.2165000109.1
323V69.9Low75.8Confident47 Ų4797.1 Ų97.129%0.28552%0.523SS..  trans-101.7136.8-175.6177.40000109.9K319 G321 V327 L328K319-V323 HydrophobicContact CB-CG2 4.38Å; G321-V323 PolarHBondContact O-N 3.06Å; V323-V327 HydrophobicContact CG1-CB 3.52Å; V323-V327 HydrophobicContact CG1-CG1 3.48Å; V323-V327 VanDerWaalsContact CG1-CG1 3.48Å; V323-L328 HydrophobicContact CB-CD1 4.39Å; V323-L328 HydrophobicContact CG1-CD1 4.3Å
324S75.6Confident76.2Confident75 Ų7595.9 Ų95.952%0.52452%0.522SS..  trans-65144.5175.647.80000111.7D326 V327 L328S324-D326 PolarHBondContact O-N 2.85Å; S324-D326 VanDerWaalsContact O-N 3.09Å; S324-V327 WeakPolarHBondContact O-CB 3.48Å; S324-V327 PolarHBondContact O-N 2.89Å; S324-V327 WeakPolarHBondContact OG-CG2 3.38Å; S324-L328 PolarHBondContact O-N 2.8Å
325I74Confident76.4Confident127 Ų12793.1 Ų93.165%0.65151%0.51SS*.Hα-helixtrans-52.6-36.8-174.7-72.8165.2000112.6V327 L328 K329I325-V327 VanDerWaalsContact C-N 3.33Å; I325-V327 PolarHBondContact O-N 2.89Å; I325-L328 PolarHBondContact O-N 3.19Å; I325-K329 PolarHBondContact O-N 3.48Å
326D80.6Confident77Confident121 Ų12190.3 Ų90.365%0.64749%0.486SS*.Hα-helixtrans-68.9-31.7-179.7-60.8-33000113S324 K330S324-D326 PolarHBondContact O-N 2.85Å; S324-D326 VanDerWaalsContact O-N 3.09Å; D326-K330 WeakPolarHBondContact O-CB 3.4Å; D326-K330 PolarHBondContact O-N 3.45Å; D326-K330 VanDerWaalsContact O-N 3.08Å
327V78.7Confident77.8Confident45 Ų4594.8 Ų94.827%0.27349%0.489SS..Hα-helixtrans-73.3-35.8176.1176.40000110.2K319 V323 S324 I325 K330 E331K319-V327 HydrophobicContact CD-CG1 3.95Å; V323-V327 HydrophobicContact CG1-CB 3.52Å; V323-V327 HydrophobicContact CG1-CG1 3.48Å; V323-V327 VanDerWaalsContact CG1-CG1 3.48Å; S324-V327 WeakPolarHBondContact O-CB 3.48Å; S324-V327 PolarHBondContact O-N 2.89Å; S324-V327 WeakPolarHBondContact OG-CG2 3.38Å; I325-V327 VanDerWaalsContact C-N 3.33Å; I325-V327 PolarHBondContact O-N 2.89Å; V327-K330 PolarHBondContact O-N 3.15Å; V327-E331 VanDerWaalsContact O-CB 3.31Å; V327-E331 WeakPolarHBondContact O-CB 3.11Å; V327-E331 PolarHBondContact O-N 3.33Å
328L76.6Confident78.2Confident92 Ų9298.8 Ų98.848%0.48249%0.493SS..Hα-helixtrans-66.3-43.3175.7-140.887.7000111.8V323 S324 I325 E331 Q332V323-L328 HydrophobicContact CB-CD1 4.39Å; V323-L328 HydrophobicContact CG1-CD1 4.3Å; S324-L328 PolarHBondContact O-N 2.8Å; I325-L328 PolarHBondContact O-N 3.19Å; L328-E331 PolarHBondContact O-N 3.29Å; L328-Q332 WeakPolarHBondContact O-CB 3.43Å; L328-Q332 PolarHBondContact O-N 2.94Å
329K80.4Confident78.2Confident131 Ų131104.1 Ų104.157%0.5752%0.516SS*.Hα-helixtrans-61.9-45.1175.1-78.8-178.1178.91750111.8I325 E331 Q332 E333I325-K329 PolarHBondContact O-N 3.48Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 2.66Å; K329-Q332 PolarHBondContact O-N 3.37Å; K329-E333 WeakPolarHBondContact O-CB 3.3Å; K329-E333 PolarHBondContact O-N 3.45Å
330K82.9Confident78.3Confident163 Ų163105.7 Ų105.771%0.70952%0.523SS*.Hα-helixtrans-64.3-37178.6-168.3172.6-176.5173.70112D326 V327 E334D326-K330 WeakPolarHBondContact O-CB 3.4Å; D326-K330 PolarHBondContact O-N 3.45Å; D326-K330 VanDerWaalsContact O-N 3.08Å; V327-K330 PolarHBondContact O-N 3.15Å; K330-E334 VanDerWaalsContact O-CB 3.31Å; K330-E334 WeakPolarHBondContact O-CB 3.24Å; K330-E334 PolarHBondContact O-N 3.19Å
331E80.5Confident78.8Confident28 Ų28110.1 Ų110.113%0.13154%0.542CS..Hα-helixtrans-70.8-41.1176-177.4161.5-121.400112.6G318 K319 V327 L328 K329 E334 N335G318-E331 WeakPolarHBondContact CA-OE1 3.26Å; K319-E331 PolarHBondContact N-OE1 3.37Å; K319-E331 PolarHBondContact N-OE2 3.25Å; V327-E331 VanDerWaalsContact O-CB 3.31Å; V327-E331 WeakPolarHBondContact O-CB 3.11Å; V327-E331 PolarHBondContact O-N 3.33Å; L328-E331 PolarHBondContact O-N 3.29Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 2.66Å; E331-E334 PolarHBondContact O-N 3.47Å; E331-N335 PolarHBondContact O-N 3.1Å
332Q79.6Confident78.8Confident140 Ų140111 Ų11165%0.65453%0.531SS*.Hα-helixtrans-61.5-45.4172.1-101.4-170.1-27.200112L328 K329 E334 N335 R336L328-Q332 WeakPolarHBondContact O-CB 3.43Å; L328-Q332 PolarHBondContact O-N 2.94Å; K329-Q332 PolarHBondContact O-N 3.37Å; Q332-E334 VanDerWaalsContact C-N 3.3Å; Q332-E334 PolarHBondContact O-N 2.86Å; Q332-N335 PolarHBondContact O-N 3.27Å; Q332-R336 WeakPolarHBondContact O-CB 3.38Å; Q332-R336 PolarHBondContact O-N 3.07Å
333E82.7Confident79.2Confident123 Ų123106.1 Ų106.158%0.57550%0.503SS*.Hα-helixtrans-62-39.9176.7-167.2101.1-122.400111.2K329 R336 R337K329-E333 WeakPolarHBondContact O-CB 3.3Å; K329-E333 PolarHBondContact O-N 3.45Å; E333-R336 PolarHBondContact O-N 2.92Å; E333-R337 WeakPolarHBondContact O-CB 3.47Å; E333-R337 PolarHBondContact O-N 3.01Å
334E81.8Confident79.5Confident85 Ų85107.4 Ų107.440%0.39751%0.512SS..Hα-helixtrans-66.7-42.4177-170.3178.9179.700112.1K330 E331 Q332 R337 R338K330-E334 VanDerWaalsContact O-CB 3.31Å; K330-E334 WeakPolarHBondContact O-CB 3.24Å; K330-E334 PolarHBondContact O-N 3.19Å; E331-E334 PolarHBondContact O-N 3.47Å; Q332-E334 VanDerWaalsContact C-N 3.3Å; Q332-E334 PolarHBondContact O-N 2.86Å; E334-R337 WeakPolarHBondContact O-CB 3.24Å; E334-R337 PolarHBondContact O-N 3.47Å; E334-R338 VanDerWaalsContact O-CG 3.25Å; E334-R338 WeakPolarHBondContact O-CG 3.43Å; E334-R338 PolarHBondContact O-N 2.9Å; E334-R338 IonicContact OE1-CZ 3.49Å; E334-R338 IonicContact OE1-NE 3.54Å; E334-R338 IonicContact OE1-NH2 2.7Å; E334-R338 PolarHBondContact OE1-NH2 2.85Å
335N79.5Confident79.4Confident57 Ų57109.6 Ų109.631%0.30552%0.517SS..Hα-helixtrans-64.3-43.9173.4-86.60.2000111.6E331 Q332 R337 R338 E339E331-N335 PolarHBondContact O-N 3.1Å; Q332-N335 PolarHBondContact O-N 3.27Å; N335-R337 PolarHBondContact O-N 2.77Å; N335-R338 CarbonylContact O-C 3.59Å; N335-R338 WeakPolarHBondContact O-CB 3.34Å; N335-R338 PolarHBondContact O-N 2.85Å; N335-E339 WeakPolarHBondContact O-CB 3.45Å; N335-E339 WeakPolarHBondContact O-CG 3.09Å; N335-E339 PolarHBondContact O-N 3.4Å
336R82.7Confident79.4Confident136 Ų136108.1 Ų108.151%0.51351%0.507SS..Hα-helixtrans-62.2-32.8175.3-144.7170.7120.9-142.53.5111.8Q332 E333 K340Q332-R336 WeakPolarHBondContact O-CB 3.38Å; Q332-R336 PolarHBondContact O-N 3.07Å; E333-R336 PolarHBondContact O-N 2.92Å; R336-K340 WeakPolarHBondContact O-CB 3.47Å; R336-K340 WeakPolarHBondContact O-CG 3.29Å; R336-K340 PolarHBondContact O-N 2.88Å
337R82.8Confident79.2Confident184 Ų184105.7 Ų105.769%0.69449%0.494SS*.Hα-helixtrans-71-38.3173.2-163.3177.685.8162.65.9112.1E333 E334 N335 N341E333-R337 WeakPolarHBondContact O-CB 3.47Å; E333-R337 PolarHBondContact O-N 3.01Å; E334-R337 WeakPolarHBondContact O-CB 3.24Å; E334-R337 PolarHBondContact O-N 3.47Å; N335-R337 PolarHBondContact O-N 2.77Å; R337-N341 WeakPolarHBondContact O-CB 3.36Å; R337-N341 PolarHBondContact O-N 2.83Å
338R79.3Confident78.9Confident119 Ų119110.4 Ų110.445%0.44951%0.513SS..Hα-helixtrans-68.4-41175.4-70.5167.6-176.6-164.22.7111.7E334 N335 N341 N342E334-R338 VanDerWaalsContact O-CG 3.25Å; E334-R338 WeakPolarHBondContact O-CG 3.43Å; E334-R338 PolarHBondContact O-N 2.9Å; E334-R338 IonicContact OE1-CZ 3.49Å; E334-R338 IonicContact OE1-NE 3.54Å; E334-R338 IonicContact OE1-NH2 2.7Å; E334-R338 PolarHBondContact OE1-NH2 2.85Å; N335-R338 CarbonylContact O-C 3.59Å; N335-R338 WeakPolarHBondContact O-CB 3.34Å; N335-R338 PolarHBondContact O-N 2.85Å; R338-N341 PolarHBondContact O-N 3.28Å; R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 3.37Å; R338-N342 PolarHBondContact O-ND2 3.37Å
339E77.9Confident78.6Confident120 Ų120110.2 Ų110.256%0.56152%0.52SS*.Hα-helixtrans-62.5-49.1172.8-73.3169.4-174.600110.4N335 N341 N342 Q343N335-E339 WeakPolarHBondContact O-CB 3.45Å; N335-E339 WeakPolarHBondContact O-CG 3.09Å; N335-E339 PolarHBondContact O-N 3.4Å; E339-N341 PolarHBondContact O-N 2.72Å; E339-N342 CarbonylContact O-C 3.56Å; E339-N342 PolarHBondContact O-N 3.48Å; E339-Q343 VanDerWaalsContact O-CG 3.24Å; E339-Q343 WeakPolarHBondContact O-CG 3.44Å; E339-Q343 PolarHBondContact O-N 2.64Å
340K81.9Confident78.2Confident131 Ų131112.7 Ų112.757%0.5753%0.526SS*.Hα-helixtrans-59-31.4174.1-75.8173.3-179.5-175.50113.9R336 P344R336-K340 WeakPolarHBondContact O-CB 3.47Å; R336-K340 WeakPolarHBondContact O-CG 3.29Å; R336-K340 PolarHBondContact O-N 2.88Å; K340-P344 WeakPolarHBondContact O-CD 3.4Å
341N80.9Confident77.6Confident129 Ų129111 Ų11169%0.6953%0.525SS*.Hα-helixtrans-80-27.7176.5-164.518.5000112.6R337 R338 E339 P344R337-N341 WeakPolarHBondContact O-CB 3.36Å; R337-N341 PolarHBondContact O-N 2.83Å; R338-N341 PolarHBondContact O-N 3.28Å; E339-N341 PolarHBondContact O-N 2.72Å; N341-P344 WeakPolarHBondContact O-CD 3.35Å; N341-P344 WeakPolarHBondContact O-CG 3.23Å
342N77.3Confident77.2Confident85 Ų85112.8 Ų112.846%0.45554%0.544SS..Hα-helixtrans-87.2-21.6175.1-86.8-54.7000113.8R338 E339 L345 E346R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 3.37Å; R338-N342 PolarHBondContact O-ND2 3.37Å; E339-N342 CarbonylContact O-C 3.56Å; E339-N342 PolarHBondContact O-N 3.48Å; N342-L345 WeakPolarHBondContact O-CA 3.16Å; N342-L345 WeakPolarHBondContact O-CB 3.49Å; N342-L345 PolarHBondContact O-N 2.94Å; N342-E346 PolarHBondContact O-N 2.86Å
343Q76.8Confident76.7Confident91 Ų91114.8 Ų114.843%0.42555%0.553SS.*Hα-helixtrans-45.8-51.3173.5-85.8-83.4-2300114.1E339 L345 E346 D347E339-Q343 VanDerWaalsContact O-CG 3.24Å; E339-Q343 WeakPolarHBondContact O-CG 3.44Å; E339-Q343 PolarHBondContact O-N 2.64Å; Q343-L345 PolarHBondContact O-N 3.29Å; Q343-E346 PolarHBondContact O-N 3.47Å; Q343-E346 VanDerWaalsContact O-N 3.15Å; Q343-D347 PolarHBondContact O-N 3.29Å
344P77.4Confident76.2Confident74 Ų74114.5 Ų114.548%0.48156%0.56SS.*Hα-helixtrans-63.1-30.5178.623.9-34.4000113K340 N341 E348K340-P344 WeakPolarHBondContact O-CD 3.4Å; N341-P344 WeakPolarHBondContact O-CD 3.35Å; N341-P344 WeakPolarHBondContact O-CG 3.23Å; P344-E348 WeakPolarHBondContact O-CB 3.44Å; P344-E348 PolarHBondContact O-N 3.17Å; P344-E348 VanDerWaalsContact O-N 3.11Å
345L73.2Confident76Confident121 Ų121113.9 Ų113.963%0.63456%0.562SS**Hα-helixtrans-76.5-34.7176.9-16872.2000111.9N342 Q343 S349N342-L345 WeakPolarHBondContact O-CA 3.16Å; N342-L345 WeakPolarHBondContact O-CB 3.49Å; N342-L345 PolarHBondContact O-N 2.94Å; Q343-L345 PolarHBondContact O-N 3.29Å; L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.25Å; L345-S349 PolarHBondContact O-N 2.78Å
346E75.1Confident75.8Confident95 Ų95116.4 Ų116.444%0.44457%0.57SS.*Hα-helixtrans-68.4-40.9173.5-75.5-171.5164.700111.9N342 Q343 S349 R350N342-E346 PolarHBondContact O-N 2.86Å; Q343-E346 PolarHBondContact O-N 3.47Å; Q343-E346 VanDerWaalsContact O-N 3.15Å; E346-S349 PolarHBondContact O-N 2.98Å; E346-R350 WeakPolarHBondContact O-CB 3.17Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.34Å; E346-R350 PolarHBondContact O-N 2.98Å
347D75.4Confident75.8Confident70 Ų70116.9 Ų116.937%0.37457%0.572SS.*Hα-helixtrans-65.8-41.4176.2-70.5-25000111.5Q343 S349 R350 N351Q343-D347 PolarHBondContact O-N 3.29Å; D347-S349 VanDerWaalsContact C-N 3.33Å; D347-S349 PolarHBondContact O-N 3.49Å; D347-R350 PolarHBondContact O-N 2.99Å; D347-N351 WeakPolarHBondContact O-CB 3.19Å; D347-N351 VanDerWaalsContact O-CG 3.28Å; D347-N351 PolarHBondContact O-N 3.21Å; D347-N351 VanDerWaalsContact O-N 3.09Å; D347-N351 PolarHBondContact O-ND2 3.08Å
348E72.7Confident75.5Confident144 Ų144110.6 Ų110.667%0.67355%0.553SS**Hα-helixtrans-66.3-35.1174-146.476.3-135.700111.8P344 A352P344-E348 WeakPolarHBondContact O-CB 3.44Å; P344-E348 PolarHBondContact O-N 3.17Å; P344-E348 VanDerWaalsContact O-N 3.11Å; E348-A352 PolarHBondContact O-N 3.08Å; E348-A352 VanDerWaalsContact O-N 3.1Å
349S68.9Low75.6Confident89 Ų89115.9 Ų115.962%0.62258%0.579SS**Hα-helixtrans-73-34.7176.7-176.80000112.8L345 E346 D347 N351L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.25Å; L345-S349 PolarHBondContact O-N 2.78Å; E346-S349 PolarHBondContact O-N 2.98Å; D347-S349 VanDerWaalsContact C-N 3.33Å; D347-S349 PolarHBondContact O-N 3.49Å; S349-N351 VanDerWaalsContact C-N 3.34Å
350R73.4Confident75.4Confident183 Ų183114.8 Ų114.869%0.69158%0.584SS**Hα-helixtrans-71-32.9176.2-76171.6179.7178.62.7111.7E346 D347E346-R350 WeakPolarHBondContact O-CB 3.17Å; E346-R350 VanDerWaalsContact O-CG 3.26Å; E346-R350 WeakPolarHBondContact O-CG 3.34Å; E346-R350 PolarHBondContact O-N 2.98Å; D347-R350 PolarHBondContact O-N 2.99Å
351N69.3Low75Confident127 Ų127110.8 Ų110.868%0.67958%0.581SS**SBendtrans-92.92.1180-62.4-20.8000113.5D347 S349 Q353D347-N351 WeakPolarHBondContact O-CB 3.19Å; D347-N351 VanDerWaalsContact O-CG 3.28Å; D347-N351 PolarHBondContact O-N 3.21Å; D347-N351 VanDerWaalsContact O-N 3.09Å; D347-N351 PolarHBondContact O-ND2 3.08Å; S349-N351 VanDerWaalsContact C-N 3.34Å; N351-Q353 PolarHBondContact O-N 3.42Å; N351-Q353 VanDerWaalsContact O-N 3.12Å
352A72Confident75.1Confident65 Ų65112.1 Ų112.154%0.53758%0.58SS.*  trans-67110.8178.400000110.8E348 T354E348-A352 PolarHBondContact O-N 3.08Å; E348-A352 VanDerWaalsContact O-N 3.1Å; A352-T354 PolarHBondContact O-N 3.3Å
353Q69.3Low75.1Confident182 Ų182114.7 Ų114.785%0.8559%0.588SS**  trans-63.1129.3178.8-68.5-170.7-16.900111.5N351 V355N351-Q353 PolarHBondContact O-N 3.42Å; N351-Q353 VanDerWaalsContact O-N 3.12Å; Q353-V355 PolarHBondContact O-N 3.32Å
354T73.1Confident75Confident117 Ų117115.4 Ų115.472%0.71859%0.586SS**  trans-70.6111.117636.40000110.2A352 F356A352-T354 PolarHBondContact O-N 3.3Å; T354-F356 WeakPolarHBondContact O-CD2 3.43Å; T354-F356 PolarHBondContact O-N 3.15Å
355V76.9Confident74.9Confident73 Ų73117.4 Ų117.444%0.44259%0.593SS.*  trans-83.9102.2179.7-178.30000110.1Q353 R357 K363Q353-V355 PolarHBondContact O-N 3.32Å; V355-R357 HydrophobicContact CG1-CG 4.22Å; V355-K363 HydrophobicContact CG1-CB 4.41Å; V355-K363 HydrophobicContact CG1-CD 4.01Å; V355-K363 HydrophobicContact CG1-CG 3.82Å
356F74.7Confident74.8Confident109 Ų109115.3 Ų115.348%0.47858%0.582SS.*  trans-75133.6172.2-72.1-95.8000110.4T354 R364 L366T354-F356 WeakPolarHBondContact O-CD2 3.43Å; T354-F356 PolarHBondContact O-N 3.15Å; F356-R364 PolarHBondContact O-N 3.24Å; F356-L366 HydrophobicContact CB-CD1 4.15Å; F356-L366 HydrophobicContact CB-CD2 4.32Å; F356-L366 HydrophobicContact CB-CG 4.15Å; F356-L366 HydrophobicContact CD1-CD1 4.42Å; F356-L366 HydrophobicContact CD2-CD1 3.21Å; F356-L366 HydrophobicContact CD2-CG 4.12Å; F356-L366 HydrophobicContact CE2-CD1 3.59Å; F356-L366 HydrophobicContact CG-CD1 3.67Å; F356-L366 HydrophobicContact CG-CD2 4.37Å; F356-L366 HydrophobicContact CG-CG 4.2Å; F356-L366 HydrophobicContact CZ-CD1 4.35Å
357R83.4Confident74.9Confident146 Ų146116.5 Ų116.555%0.55159%0.591SS**BIsolated β-bridgetrans-127.8145.6-179.6-68.4-179.4176.482.5-7.6110.4V355 K362V355-R357 HydrophobicContact CG1-CG 4.22Å; R357-K362 CarbonylContact C-O 3.56Å; R357-K362 VanDerWaalsContact CA-O 3.25Å; R357-K362 WeakPolarHBondContact CA-O 3.33Å
358D77.4Confident75.1Confident53 Ų53115.8 Ų115.828%0.28359%0.592SS.*  trans-69.8167.1175.9-75.15.3000112S360 G361 K362 R364D358-S360 PolarHBondContact O-N 2.98Å; D358-G361 PolarHBondContact O-N 3.25Å; D358-K362 PolarHBondContact N-O 2.81Å; D358-R364 WeakPolarHBondContact OD1-CB 3.24Å; D358-R364 WeakPolarHBondContact OD1-CD 3.34Å; D358-R364 WeakPolarHBondContact OD1-CG 3.29Å; D358-R364 IonicContact OD1-CZ 2.89Å; D358-R364 VanDerWaalsContact OD1-CZ 3.3Å; D358-R364 IonicContact OD1-NE 3.52Å; D358-R364 PolarHBondContact OD1-NE 2.8Å; D358-R364 IonicContact OD1-NH1 2.83Å; D358-R364 PolarHBondContact OD1-NH1 3.33Å; D358-R364 IonicContact OD2-NH1 3.74Å
359K80.3Confident75.5Confident229 Ų229111.6 Ų111.6100%0.99657%0.573SS**THydrogen-bonded Turntrans-56.2-14.1171.7-61.4174.7-178.4178.40113.3
360S74.6Confident76.2Confident97 Ų97116.2 Ų116.268%0.67858%0.576SS**THydrogen-bonded Turntrans-99.71.9174.859.20000114.2D358D358-S360 PolarHBondContact O-N 2.98Å
361G73.6Confident76.6Confident48 Ų48112.8 Ų112.850%0.49557%0.568SS.*SBendtrans83.80.2178.300000115.8D358D358-G361 PolarHBondContact O-N 3.25Å
362K81.4Confident77.3Confident157 Ų157111.7 Ų111.768%0.68356%0.559SS**  trans-75.4135.1177.8-160.7174.9-178.4-174.40110.5R357 D358 R364R357-K362 CarbonylContact C-O 3.56Å; R357-K362 VanDerWaalsContact CA-O 3.25Å; R357-K362 WeakPolarHBondContact CA-O 3.33Å; D358-K362 PolarHBondContact N-O 2.81Å; K362-R364 PolarHBondContact O-N 3.39Å
363K78.6Confident78Confident139 Ų139114 Ų11460%0.60456%0.559SS**BIsolated β-bridgetrans-61.3131.1175-63.8-174.5-179.1-177.40109.3V355V355-K363 HydrophobicContact CG1-CB 4.41Å; V355-K363 HydrophobicContact CG1-CD 4.01Å; V355-K363 HydrophobicContact CG1-CG 3.82Å
364R74Confident78.9Confident105 Ų105115 Ų11540%0.39655%0.554SS.*  trans-106.6118.4-178-148.1-172.6-170.3117.9-3.7107.8F356 D358 K362 L366 E369F356-R364 PolarHBondContact O-N 3.24Å; D358-R364 WeakPolarHBondContact OD1-CB 3.24Å; D358-R364 WeakPolarHBondContact OD1-CD 3.34Å; D358-R364 WeakPolarHBondContact OD1-CG 3.29Å; D358-R364 IonicContact OD1-CZ 2.89Å; D358-R364 VanDerWaalsContact OD1-CZ 3.3Å; D358-R364 IonicContact OD1-NE 3.52Å; D358-R364 PolarHBondContact OD1-NE 2.8Å; D358-R364 IonicContact OD1-NH1 2.83Å; D358-R364 PolarHBondContact OD1-NH1 3.33Å; D358-R364 IonicContact OD2-NH1 3.74Å; K362-R364 PolarHBondContact O-N 3.39Å; R364-L366 PolarHBondContact O-N 3.49Å; R364-L366 VanDerWaalsContact O-N 3.15Å; R364-E369 VanDerWaalsContact CD-OE2 3.29Å; R364-E369 WeakPolarHBondContact CD-OE2 3.29Å; R364-E369 IonicContact CZ-OE1 3.12Å; R364-E369 IonicContact CZ-OE2 2.71Å; R364-E369 IonicContact NE-OE1 2.8Å; R364-E369 PolarHBondContact NE-OE1 2.8Å; R364-E369 IonicContact NE-OE2 3.84Å; R364-E369 PolarHBondContact NE-OE2 3.06Å; R364-E369 IonicContact NH2-OE1 2.6Å; R364-E369 PolarHBondContact NH2-OE1 2.87Å; R364-E369 IonicContact NH2-OE2 3.72Å
365D75.9Confident79.7Confident116 Ų116115.9 Ų115.962%0.6255%0.549SS*.  trans-82.991.1177.8-65.9-29.7000108.5D367 S368 E369D365-D367 PolarHBondContact O-N 3.16Å; D365-S368 VanDerWaalsContact CB-OG 3.3Å; D365-S368 WeakPolarHBondContact CB-OG 3.29Å; D365-S368 PolarHBondContact O-N 2.88Å; D365-S368 VanDerWaalsContact O-N 3.09Å; D365-S368 PolarHBondContact O-OG 3.23Å; D365-E369 PolarHBondContact O-N 3.42Å
366L71.4Confident80.3Confident78 Ų78118.2 Ų118.241%0.40855%0.553SS.*Hα-helixtrans-55.3-36.2-175.3-72.3177.1000113.3F356 R364 E369 R370F356-L366 HydrophobicContact CB-CD1 4.15Å; F356-L366 HydrophobicContact CB-CD2 4.32Å; F356-L366 HydrophobicContact CB-CG 4.15Å; F356-L366 HydrophobicContact CD1-CD1 4.42Å; F356-L366 HydrophobicContact CD2-CD1 3.21Å; F356-L366 HydrophobicContact CD2-CG 4.12Å; F356-L366 HydrophobicContact CE2-CD1 3.59Å; F356-L366 HydrophobicContact CG-CD1 3.67Å; F356-L366 HydrophobicContact CG-CD2 4.37Å; F356-L366 HydrophobicContact CG-CG 4.2Å; F356-L366 HydrophobicContact CZ-CD1 4.35Å; R364-L366 PolarHBondContact O-N 3.49Å; R364-L366 VanDerWaalsContact O-N 3.15Å; L366-E369 PolarHBondContact O-N 3.01Å; L366-R370 VanDerWaalsContact O-CB 3.29Å; L366-R370 WeakPolarHBondContact O-CB 3.34Å; L366-R370 PolarHBondContact O-N 3.36Å
367D76.4Confident81.1Confident119 Ų119115.8 Ų115.864%0.63655%0.553SS**Hα-helixtrans-67.3-42.1178.7-63.7-38.2000111.2D365 E369 R370 E371D365-D367 PolarHBondContact O-N 3.16Å; D367-E369 PolarHBondContact O-N 3.34Å; D367-R370 PolarHBondContact O-N 3.32Å; D367-E371 WeakPolarHBondContact O-CB 3.35Å; D367-E371 WeakPolarHBondContact O-CG 3.44Å; D367-E371 PolarHBondContact O-N 3.12Å
368S79.3Confident81.5Confident56 Ų56110.8 Ų110.839%0.39255%0.546SS..Hα-helixtrans-66.8-37.6176.276.30000112.3D365 E371 E372D365-S368 VanDerWaalsContact CB-OG 3.3Å; D365-S368 WeakPolarHBondContact CB-OG 3.29Å; D365-S368 PolarHBondContact O-N 2.88Å; D365-S368 VanDerWaalsContact O-N 3.09Å; D365-S368 PolarHBondContact O-OG 3.23Å; S368-E371 PolarHBondContact O-N 3.15Å; S368-E372 WeakPolarHBondContact O-CB 3.29Å; S368-E372 WeakPolarHBondContact O-CG 3.48Å; S368-E372 PolarHBondContact O-N 3.03Å
369E82.4Confident82.2Confident56 Ų56113.9 Ų113.926%0.26256%0.559SS.*Hα-helixtrans-69.8-38.8176.9-172.9171.1-154.800111.2R364 D365 L366 D367 E372 Q373R364-E369 VanDerWaalsContact CD-OE2 3.29Å; R364-E369 WeakPolarHBondContact CD-OE2 3.29Å; R364-E369 IonicContact CZ-OE1 3.12Å; R364-E369 IonicContact CZ-OE2 2.71Å; R364-E369 IonicContact NE-OE1 2.8Å; R364-E369 PolarHBondContact NE-OE1 2.8Å; R364-E369 IonicContact NE-OE2 3.84Å; R364-E369 PolarHBondContact NE-OE2 3.06Å; R364-E369 IonicContact NH2-OE1 2.6Å; R364-E369 PolarHBondContact NH2-OE1 2.87Å; R364-E369 IonicContact NH2-OE2 3.72Å; D365-E369 PolarHBondContact O-N 3.42Å; L366-E369 PolarHBondContact O-N 3.01Å; D367-E369 PolarHBondContact O-N 3.34Å; E369-E372 PolarHBondContact O-N 3.49Å; E369-Q373 WeakPolarHBondContact O-CB 2.97Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.3Å; E369-Q373 PolarHBondContact O-N 3.4Å
370R82.5Confident82.8Confident186 Ų186109.5 Ų109.570%0.70254%0.54SS*.Hα-helixtrans-65.1-42173.9-178.8180-79.8-176.1-4.6111.4L366 D367 Q373 R374L366-R370 VanDerWaalsContact O-CB 3.29Å; L366-R370 WeakPolarHBondContact O-CB 3.34Å; L366-R370 PolarHBondContact O-N 3.36Å; D367-R370 PolarHBondContact O-N 3.32Å; R370-Q373 PolarHBondContact O-N 3.01Å; R370-R374 WeakPolarHBondContact O-CB 3.24Å; R370-R374 PolarHBondContact O-N 3.09Å
371E82.2Confident83.5Confident110 Ų110107.5 Ų107.551%0.51453%0.529SS..Hα-helixtrans-65.3-42.9175.5-77.7-175.3-171.500112.4D367 S368 Q373 R374 K375D367-E371 WeakPolarHBondContact O-CB 3.35Å; D367-E371 WeakPolarHBondContact O-CG 3.44Å; D367-E371 PolarHBondContact O-N 3.12Å; S368-E371 PolarHBondContact O-N 3.15Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-R374 PolarHBondContact O-N 3.18Å; E371-K375 WeakPolarHBondContact O-CB 3.42Å; E371-K375 WeakPolarHBondContact O-CG 3.42Å; E371-K375 PolarHBondContact O-N 3.44Å
372E84.7Confident84.3Confident104 Ų104107.2 Ų107.249%0.48652%0.522SS..Hα-helixtrans-63.7-40.4174.3-81.3-166.9-164.800112.1S368 E369 K375 K376S368-E372 WeakPolarHBondContact O-CB 3.29Å; S368-E372 WeakPolarHBondContact O-CG 3.48Å; S368-E372 PolarHBondContact O-N 3.03Å; E369-E372 PolarHBondContact O-N 3.49Å; E372-K375 PolarHBondContact O-N 3.25Å; E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 VanDerWaalsContact O-CG 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.48Å; E372-K376 PolarHBondContact O-N 3.16Å; E372-K376 IonicContact OE2-NZ 3.3Å; E372-K376 PolarHBondContact OE2-NZ 3.32Å
373Q85.4Confident84.8Confident115 Ų115105.3 Ų105.354%0.53751%0.514SS..Hα-helixtrans-64.5-41.3174.2-76.2-178.226.400111.2E369 R370 E371 K376 A377E369-Q373 WeakPolarHBondContact O-CB 2.97Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.3Å; E369-Q373 PolarHBondContact O-N 3.4Å; R370-Q373 PolarHBondContact O-N 3.01Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; Q373-K376 PolarHBondContact O-N 2.83Å; Q373-A377 WeakPolarHBondContact O-CB 3.41Å; Q373-A377 PolarHBondContact O-N 2.7Å
374R87.7Confident85.2Confident201 Ų201102.8 Ų102.876%0.75851%0.507SS*.Hα-helixtrans-64.4-40.3175.7-161175.688.4-170.85.4111.7R370 E371 G378R370-R374 WeakPolarHBondContact O-CB 3.24Å; R370-R374 PolarHBondContact O-N 3.09Å; E371-R374 PolarHBondContact O-N 3.18Å; R374-G378 PolarHBondContact O-N 2.67Å
375K90.5Very high85.8Confident137 Ų137103.4 Ų103.460%0.59651%0.514SS*.Hα-helixtrans-63.9-48.2173.8-74.5173.7-178.4169.50111.4E371 E372 A377 G378 E379E371-K375 WeakPolarHBondContact O-CB 3.42Å; E371-K375 WeakPolarHBondContact O-CG 3.42Å; E371-K375 PolarHBondContact O-N 3.44Å; E372-K375 PolarHBondContact O-N 3.25Å; K375-A377 PolarHBondContact O-N 2.85Å; K375-G378 PolarHBondContact O-N 3.4Å; K375-E379 WeakPolarHBondContact O-CG 3.38Å; K375-E379 PolarHBondContact O-N 3.45Å
376K90.9Very high86.3Confident122 Ų122104.8 Ų104.853%0.5352%0.515SS..Hα-helixtrans-63-40.4177.2-73.4165.4-172.9153.40112E372 Q373 K380E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 VanDerWaalsContact O-CG 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.48Å; E372-K376 PolarHBondContact O-N 3.16Å; E372-K376 IonicContact OE2-NZ 3.3Å; E372-K376 PolarHBondContact OE2-NZ 3.32Å; Q373-K376 PolarHBondContact O-N 2.83Å; K376-K380 VanDerWaalsContact O-CB 3.29Å; K376-K380 WeakPolarHBondContact O-CB 3.46Å; K376-K380 PolarHBondContact O-N 3.46Å
377A91.1Very high86.9Confident58 Ų58108.4 Ų108.448%0.47952%0.524SS..Hα-helixtrans-66.1-42175.400000111.3Q373 K375 K380 A381Q373-A377 WeakPolarHBondContact O-CB 3.41Å; Q373-A377 PolarHBondContact O-N 2.7Å; K375-A377 PolarHBondContact O-N 2.85Å; A377-K380 PolarHBondContact O-N 3.24Å; A377-A381 VanDerWaalsContact O-CB 3.3Å; A377-A381 WeakPolarHBondContact O-CB 3.29Å; A377-A381 PolarHBondContact O-N 2.96Å
378G91.9Very high87.4Confident40 Ų40105.9 Ų105.941%0.41252%0.52SS..Hα-helixtrans-63.7-44174.300000112.8R374 K375 K380 A381 A382R374-G378 PolarHBondContact O-N 2.67Å; K375-G378 PolarHBondContact O-N 3.4Å; G378-K380 VanDerWaalsContact C-N 3.33Å; G378-K380 PolarHBondContact O-N 3.02Å; G378-A381 PolarHBondContact O-N 3.36Å; G378-A382 WeakPolarHBondContact O-CB 3.48Å; G378-A382 PolarHBondContact O-N 3.41Å
379E91.8Very high87.5Confident119 Ų119109 Ų10956%0.55653%0.528SS*.Hα-helixtrans-63.9-37.8174.3-75.3-177.5-171.100112.6K375 K383K375-E379 WeakPolarHBondContact O-CG 3.38Å; K375-E379 PolarHBondContact O-N 3.45Å; E379-K383 WeakPolarHBondContact O-CG 3.28Å; E379-K383 PolarHBondContact O-N 3.47Å; E379-K383 VanDerWaalsContact O-N 3.1Å
380K91.8Very high87.3Confident136 Ų136116.3 Ų116.359%0.59155%0.553SS**Hα-helixtrans-66.8-48.8175.3-172.4-176.1173.8-170.70110.4K376 A377 G378 A382 K383 D384K376-K380 VanDerWaalsContact O-CB 3.29Å; K376-K380 WeakPolarHBondContact O-CB 3.46Å; K376-K380 PolarHBondContact O-N 3.46Å; A377-K380 PolarHBondContact O-N 3.24Å; G378-K380 VanDerWaalsContact C-N 3.33Å; G378-K380 PolarHBondContact O-N 3.02Å; K380-A382 VanDerWaalsContact C-N 3.31Å; K380-A382 PolarHBondContact O-N 2.6Å; K380-K383 WeakPolarHBondContact O-CB 3.3Å; K380-K383 PolarHBondContact O-N 3.15Å; K380-D384 WeakPolarHBondContact O-CB 3.49Å; K380-D384 PolarHBondContact O-N 2.75Å
381A90.6Very high87.1Confident55 Ų55111 Ų11146%0.45556%0.556SS.*Hα-helixtrans-57.7-42.9176.300000111.8A377 G378 K383 D384 E385A377-A381 VanDerWaalsContact O-CB 3.3Å; A377-A381 WeakPolarHBondContact O-CB 3.29Å; A377-A381 PolarHBondContact O-N 2.96Å; G378-A381 PolarHBondContact O-N 3.36Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.9Å; A381-D384 PolarHBondContact O-N 3.25Å; A381-E385 WeakPolarHBondContact O-CB 3.18Å; A381-E385 PolarHBondContact O-N 2.96Å
382A90.9Very high87Confident42 Ų42110.6 Ų110.635%0.34755%0.55SS.*Hα-helixtrans-66.1-31.3176.700000113.2G378 K380 K386G378-A382 WeakPolarHBondContact O-CB 3.48Å; G378-A382 PolarHBondContact O-N 3.41Å; K380-A382 VanDerWaalsContact C-N 3.31Å; K380-A382 PolarHBondContact O-N 2.6Å; A382-K386 VanDerWaalsContact O-CG 3.29Å; A382-K386 WeakPolarHBondContact O-CG 3.48Å; A382-K386 PolarHBondContact O-N 2.8Å
383K90.4Very high86.8Confident118 Ų118107.3 Ų107.351%0.51354%0.544SS..Hα-helixtrans-72.7-46171.8-74.6169.3-176.4165.20110.4E379 K380 A381 E385 K386 Y387E379-K383 WeakPolarHBondContact O-CG 3.28Å; E379-K383 PolarHBondContact O-N 3.47Å; E379-K383 VanDerWaalsContact O-N 3.1Å; K380-K383 WeakPolarHBondContact O-CB 3.3Å; K380-K383 PolarHBondContact O-N 3.15Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.9Å; K383-E385 VanDerWaalsContact C-N 3.28Å; K383-E385 PolarHBondContact O-N 3.47Å; K383-K386 WeakPolarHBondContact O-CB 3.45Å; K383-K386 PolarHBondContact O-N 2.96Å; K383-K386 VanDerWaalsContact O-N 3.16Å; K383-Y387 WeakPolarHBondContact O-CD2 3.48Å; K383-Y387 PolarHBondContact O-N 2.86Å
384D87.8Confident86.4Confident85 Ų85109 Ų10946%0.45556%0.556SS.*Hα-helixtrans-61.2-38.4-179.9-66.5-11000110.6K380 A381 Y387 A388K380-D384 WeakPolarHBondContact O-CB 3.49Å; K380-D384 PolarHBondContact O-N 2.75Å; A381-D384 PolarHBondContact O-N 3.25Å; D384-Y387 CarbonylContact O-C 3.59Å; D384-Y387 PolarHBondContact O-N 3.49Å; D384-A388 WeakPolarHBondContact O-CB 3.16Å; D384-A388 PolarHBondContact O-N 3.32Å
385E87.2Confident86.1Confident118 Ų118102.8 Ų102.855%0.55155%0.548SS*.Hα-helixtrans-63.7-45.2173.8-167.1-170.8165.400111.9A381 K383 Y387 A388 Q389A381-E385 WeakPolarHBondContact O-CB 3.18Å; A381-E385 PolarHBondContact O-N 2.96Å; K383-E385 VanDerWaalsContact C-N 3.28Å; K383-E385 PolarHBondContact O-N 3.47Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.18Å; E385-A388 PolarHBondContact O-N 2.9Å; E385-Q389 WeakPolarHBondContact O-CB 3.1Å; E385-Q389 VanDerWaalsContact O-CG 3.28Å; E385-Q389 WeakPolarHBondContact O-CG 3.42Å; E385-Q389 PolarHBondContact O-N 3.12Å; E385-Q389 PolarHBondContact OE1-NE2 3.47Å
386K85.4Confident85.8Confident145 Ų145102 Ų10263%0.6355%0.546SS*.Hα-helixtrans-61.7-39.9174.3-71.5171.9-174.3179.10111.7A382 K383 Q389 W390A382-K386 VanDerWaalsContact O-CG 3.29Å; A382-K386 WeakPolarHBondContact O-CG 3.48Å; A382-K386 PolarHBondContact O-N 2.8Å; K383-K386 WeakPolarHBondContact O-CB 3.45Å; K383-K386 PolarHBondContact O-N 2.96Å; K383-K386 VanDerWaalsContact O-N 3.16Å; K386-Q389 PolarHBondContact O-N 3.38Å; K386-W390 WeakPolarHBondContact O-CB 3.45Å; K386-W390 PolarHBondContact O-N 2.93Å
387Y84.8Confident85.6Confident155 Ų15597 Ų9761%0.60853%0.529SS*.Hα-helixtrans-68.4-37.6175.6-84.5-69.6000112.3K383 D384 E385 W390 G391K383-Y387 WeakPolarHBondContact O-CD2 3.48Å; K383-Y387 PolarHBondContact O-N 2.86Å; D384-Y387 CarbonylContact O-C 3.59Å; D384-Y387 PolarHBondContact O-N 3.49Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.18Å; Y387-W390 PolarHBondContact O-N 2.98Å; Y387-G391 PolarHBondContact O-N 2.89Å
388A85.8Confident85.5Confident65 Ų6599.5 Ų99.554%0.53753%0.531SS..Hα-helixtrans-64.5-43.3174.600000111.1D384 E385 W390 G391 R392D384-A388 WeakPolarHBondContact O-CB 3.16Å; D384-A388 PolarHBondContact O-N 3.32Å; E385-A388 PolarHBondContact O-N 2.9Å; A388-W390 VanDerWaalsContact C-N 3.31Å; A388-W390 PolarHBondContact O-N 3.48Å; A388-G391 PolarHBondContact O-N 3.29Å; A388-R392 WeakPolarHBondContact O-CB 3.31Å; A388-R392 PolarHBondContact O-N 3.01Å; A388-R392 VanDerWaalsContact O-N 3.11Å
389Q81.4Confident85.3Confident121 Ų121103.8 Ų103.857%0.56554%0.542SS*.Hα-helixtrans-62-37.5174.3-70.2174.320.300112.1E385 K386E385-Q389 WeakPolarHBondContact O-CB 3.1Å; E385-Q389 VanDerWaalsContact O-CG 3.28Å; E385-Q389 WeakPolarHBondContact O-CG 3.42Å; E385-Q389 PolarHBondContact O-N 3.12Å; E385-Q389 PolarHBondContact OE1-NE2 3.47Å; K386-Q389 PolarHBondContact O-N 3.38Å
390W78.8Confident85.2Confident210 Ų210102.3 Ų102.380%0.79554%0.535SS*.Hα-helixtrans-78.4-34.3177.8-167.65.7000113.2K386 Y387 A388 R392K386-W390 WeakPolarHBondContact O-CB 3.45Å; K386-W390 PolarHBondContact O-N 2.93Å; Y387-W390 PolarHBondContact O-N 2.98Å; A388-W390 VanDerWaalsContact C-N 3.31Å; A388-W390 PolarHBondContact O-N 3.48Å; W390-R392 PolarHBondContact O-N 3.29Å
391G77.4Confident85.2Confident74 Ų74101.8 Ų101.876%0.76353%0.534SS*.Hα-helixtrans-68.8-21.1175.700000113Y387 A388Y387-G391 PolarHBondContact O-N 2.89Å; A388-G391 PolarHBondContact O-N 3.29Å
392R80.4Confident85.4Confident103 Ų103104.6 Ų104.639%0.38954%0.538SS..SBendtrans-86.7139.2175.3-166.1174.6-177.5-1630.8111.5A388 W390 L394 Q396A388-R392 WeakPolarHBondContact O-CB 3.31Å; A388-R392 PolarHBondContact O-N 3.01Å; A388-R392 VanDerWaalsContact O-N 3.11Å; W390-R392 PolarHBondContact O-N 3.29Å; R392-L394 PolarHBondContact O-N 2.98Å; R392-Q396 HydrophobicContact CG-CB 4.45Å; R392-Q396 PolarHBondContact NH2-O 3.38Å
393G80.3Confident85.5Confident35 Ų35109.6 Ų109.636%0.36155%0.552SS.*  trans-64.6129.6175.500000111.5A395 Q396 G397G393-A395 PolarHBondContact O-N 3.24Å; G393-A395 VanDerWaalsContact O-N 3.12Å; G393-Q396 WeakPolarHBondContact O-CB 3.35Å; G393-Q396 PolarHBondContact O-N 3.45Å; G393-G397 PolarHBondContact O-N 2.88Å; G393-G397 VanDerWaalsContact O-N 3.11Å
394L77.8Confident85.8Confident150 Ų150108.7 Ų108.779%0.78555%0.552SS**Hα-helixtrans-50.8-38.6177.9-68.8174000112.8R392 G397 Q398R392-L394 PolarHBondContact O-N 2.98Å; L394-G397 PolarHBondContact O-N 3.46Å; L394-Q398 WeakPolarHBondContact O-CG 3.47Å; L394-Q398 PolarHBondContact O-N 3.34Å
395A80.6Confident86.1Confident70 Ų70110.7 Ų110.758%0.57956%0.559SS**Hα-helixtrans-66.8-35.8177.600000112.9G393 M399G393-A395 PolarHBondContact O-N 3.24Å; G393-A395 VanDerWaalsContact O-N 3.12Å; A395-M399 VanDerWaalsContact O-CB 3.25Å; A395-M399 WeakPolarHBondContact O-CB 3.47Å; A395-M399 PolarHBondContact O-N 3.02Å
396Q85.7Confident86.4Confident121 Ų121109.3 Ų109.357%0.56556%0.555SS**Hα-helixtrans-71.6-36.4177.7-64.1172.8-6.600111.3R392 G393 Q400R392-Q396 HydrophobicContact CG-CB 4.45Å; R392-Q396 PolarHBondContact NH2-O 3.38Å; G393-Q396 WeakPolarHBondContact O-CB 3.35Å; G393-Q396 PolarHBondContact O-N 3.45Å; Q396-Q400 PolarHBondContact O-N 2.89Å; Q396-Q400 VanDerWaalsContact O-N 3.07Å
397G86.1Confident86.8Confident16 Ų16104.7 Ų104.717%0.16554%0.544CS..Hα-helixtrans-64.9-48.9173.700000112G393 L394 M399 Q400 Q401G393-G397 PolarHBondContact O-N 2.88Å; G393-G397 VanDerWaalsContact O-N 3.11Å; L394-G397 PolarHBondContact O-N 3.46Å; G397-M399 PolarHBondContact O-N 3.45Å; G397-Q400 PolarHBondContact O-N 2.77Å; G397-Q401 WeakPolarHBondContact O-CG 3.33Å; G397-Q401 PolarHBondContact O-N 2.83Å
398Q88.3Confident87.3Confident111 Ų111103 Ų10352%0.51955%0.545SS..Hα-helixtrans-60.7-43.4176.5-73.1-176.6-14.600112.2L394 Q400 Q401 Q402L394-Q398 WeakPolarHBondContact O-CG 3.47Å; L394-Q398 PolarHBondContact O-N 3.34Å; Q398-Q400 VanDerWaalsContact C-N 3.32Å; Q398-Q400 PolarHBondContact O-N 2.91Å; Q398-Q401 PolarHBondContact O-N 2.87Å; Q398-Q402 WeakPolarHBondContact O-CB 3.28Å; Q398-Q402 WeakPolarHBondContact O-CG 3.21Å; Q398-Q402 PolarHBondContact O-N 3.14Å
399M88.8Confident87.5Confident131 Ų131103.7 Ų103.765%0.64554%0.537SS*.Hα-helixtrans-62.2-39177.1-175.6-174.7-65.400112A395 G397 K403A395-M399 VanDerWaalsContact O-CB 3.25Å; A395-M399 WeakPolarHBondContact O-CB 3.47Å; A395-M399 PolarHBondContact O-N 3.02Å; G397-M399 PolarHBondContact O-N 3.45Å; M399-K403 VanDerWaalsContact O-CB 3.28Å; M399-K403 WeakPolarHBondContact O-CB 3.45Å; M399-K403 PolarHBondContact O-N 3.46Å
400Q89.4Confident87.9Confident88 Ų88103.4 Ų103.441%0.41154%0.536SS..Hα-helixtrans-66.9-42.5175.4-173.3-176.719.800111.6Q396 G397 Q398 K403 L404Q396-Q400 PolarHBondContact O-N 2.89Å; Q396-Q400 VanDerWaalsContact O-N 3.07Å; G397-Q400 PolarHBondContact O-N 2.77Å; Q398-Q400 VanDerWaalsContact C-N 3.32Å; Q398-Q400 PolarHBondContact O-N 2.91Å; Q400-K403 PolarHBondContact O-N 3.3Å; Q400-L404 HydrophobicContact CG-CD1 4.31Å; Q400-L404 HydrophobicContact CG-CG 4.5Å; Q400-L404 WeakPolarHBondContact O-CG 3.33Å; Q400-L404 PolarHBondContact O-N 3.29Å
401Q91.8Very high88.6Confident124 Ų12497.5 Ų97.558%0.57953%0.532SS*.Hα-helixtrans-60.8-47.5176.9-72.7174.6-13.400111.1G397 Q398 K403 L404 E405G397-Q401 WeakPolarHBondContact O-CG 3.33Å; G397-Q401 PolarHBondContact O-N 2.83Å; Q398-Q401 PolarHBondContact O-N 2.87Å; Q401-K403 PolarHBondContact O-N 3.18Å; Q401-L404 PolarHBondContact O-N 2.88Å; Q401-L404 VanDerWaalsContact O-N 3.17Å; Q401-E405 WeakPolarHBondContact O-CG 3.46Å; Q401-E405 PolarHBondContact O-N 2.89Å
402Q93.3Very high89.3Confident114 Ų114101.7 Ų101.753%0.53353%0.531SS..Hα-helixtrans-58.7-46.5174.3-73.7179.1-18.900111.4Q398 L404 E405 D406Q398-Q402 WeakPolarHBondContact O-CB 3.28Å; Q398-Q402 WeakPolarHBondContact O-CG 3.21Å; Q398-Q402 PolarHBondContact O-N 3.14Å; Q402-L404 VanDerWaalsContact C-N 3.27Å; Q402-L404 PolarHBondContact O-N 3.1Å; Q402-E405 PolarHBondContact O-N 2.87Å; Q402-D406 VanDerWaalsContact O-CB 3.29Å; Q402-D406 WeakPolarHBondContact O-CB 3.38Å; Q402-D406 PolarHBondContact O-N 2.9Å
403K94.9Very high89.8Confident147 Ų147100 Ų10064%0.63953%0.526SS*.Hα-helixtrans-59.3-38177.2-170.3-177179.7-165.90112.2M399 Q400 Q401 A407M399-K403 VanDerWaalsContact O-CB 3.28Å; M399-K403 WeakPolarHBondContact O-CB 3.45Å; M399-K403 PolarHBondContact O-N 3.46Å; Q400-K403 PolarHBondContact O-N 3.3Å; Q401-K403 PolarHBondContact O-N 3.18Å; K403-A407 WeakPolarHBondContact O-CB 3.09Å; K403-A407 PolarHBondContact O-N 3.34Å
404L94.8Very high90.4Very high100 Ų100102.6 Ų102.652%0.52454%0.537SS..Hα-helixtrans-69.5-44.3176.1-72.1172.6000111.7Q400 Q401 Q402 A407 L408Q400-L404 HydrophobicContact CG-CD1 4.31Å; Q400-L404 HydrophobicContact CG-CG 4.5Å; Q400-L404 WeakPolarHBondContact O-CG 3.33Å; Q400-L404 PolarHBondContact O-N 3.29Å; Q401-L404 PolarHBondContact O-N 2.88Å; Q401-L404 VanDerWaalsContact O-N 3.17Å; Q402-L404 VanDerWaalsContact C-N 3.27Å; Q402-L404 PolarHBondContact O-N 3.1Å; L404-A407 PolarHBondContact O-N 3.22Å; L404-L408 WeakPolarHBondContact O-CB 3.35Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.2Å; L404-L408 PolarHBondContact O-N 2.98Å
405E95.3Very high91.1Very high126 Ų126104.2 Ų104.259%0.58955%0.546SS*.Hα-helixtrans-61.4-45.6175.6-72.3174179.300111.3Q401 Q402 L408 H409Q401-E405 WeakPolarHBondContact O-CG 3.46Å; Q401-E405 PolarHBondContact O-N 2.89Å; Q402-E405 PolarHBondContact O-N 2.87Å; E405-L408 PolarHBondContact O-N 3.17Å; E405-H409 WeakPolarHBondContact O-CB 3.15Å; E405-H409 PolarHBondContact O-N 3.43Å
406D93Very high91.7Very high90 Ų90103.6 Ų103.648%0.48154%0.541SS..Hα-helixtrans-63-44.5176.1-69.9-23.9000110.7Q402 L408 H409 E410Q402-D406 VanDerWaalsContact O-CB 3.29Å; Q402-D406 WeakPolarHBondContact O-CB 3.38Å; Q402-D406 PolarHBondContact O-N 2.9Å; D406-L408 PolarHBondContact O-N 3.01Å; D406-H409 CarbonylContact O-C 3.58Å; D406-H409 PolarHBondContact O-N 3.25Å; D406-E410 WeakPolarHBondContact O-CB 3.29Å; D406-E410 VanDerWaalsContact O-CG 3.29Å; D406-E410 WeakPolarHBondContact O-CG 3.45Å; D406-E410 PolarHBondContact O-N 3.46Å
407A94.3Very high91.9Very high48 Ų48106.1 Ų106.140%0.39755%0.545SS..Hα-helixtrans-63.1-40.317700000112.2K403 L404 H409 E410 A411K403-A407 WeakPolarHBondContact O-CB 3.09Å; K403-A407 PolarHBondContact O-N 3.34Å; L404-A407 PolarHBondContact O-N 3.22Å; A407-H409 VanDerWaalsContact C-N 3.33Å; A407-E410 PolarHBondContact O-N 3.02Å; A407-A411 WeakPolarHBondContact O-CB 3.33Å; A407-A411 PolarHBondContact O-N 3.42Å
408L94.9Very high92.1Very high118 Ų118110.8 Ų110.862%0.61856%0.562SS**Hα-helixtrans-64.5-40.7174.2-73175.5000111.4L404 E405 D406 Q412L404-L408 WeakPolarHBondContact O-CB 3.35Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.2Å; L404-L408 PolarHBondContact O-N 2.98Å; E405-L408 PolarHBondContact O-N 3.17Å; D406-L408 PolarHBondContact O-N 3.01Å; L408-Q412 WeakPolarHBondContact O-CG 3.29Å; L408-Q412 PolarHBondContact O-N 3.38Å
409H91.1Very high92.3Very high80 Ų80113.9 Ų113.937%0.3757%0.57SS.*Hα-helixtrans-68.6-39.7177.9-174.8-139.9000112.2E405 D406 A407 Q412 K413 D423E405-H409 WeakPolarHBondContact O-CB 3.15Å; E405-H409 PolarHBondContact O-N 3.43Å; D406-H409 CarbonylContact O-C 3.58Å; D406-H409 PolarHBondContact O-N 3.25Å; A407-H409 VanDerWaalsContact C-N 3.33Å; H409-Q412 PolarHBondContact O-N 3.43Å; H409-K413 WeakPolarHBondContact CE1-CE 3.19Å; H409-K413 PolarHBondContact CE1-NZ 3.01Å; H409-K413 PolarHBondContact ND1-NZ 3.11Å; H409-K413 VanDerWaalsContact ND1-NZ 3.15Å; H409-K413 VanDerWaalsContact NE2-CE 3.34Å; H409-K413 WeakPolarHBondContact NE2-CE 3.27Å; H409-K413 WeakPolarHBondContact O-CG 3Å; H409-K413 PolarHBondContact O-N 3.4Å; H409-D423 IonicContact CE1-OD2 3.78Å; H409-D423 PolarHBondContact CE1-OD2 3.24Å; H409-D423 IonicContact NE2-OD2 2.72Å
410E89.9Confident92.4Very high116 Ų116113 Ų11354%0.54257%0.568SS.*Hα-helixtrans-69.7-38175.5-73.5178.9176.200112D406 A407 Q412 K413D406-E410 WeakPolarHBondContact O-CB 3.29Å; D406-E410 VanDerWaalsContact O-CG 3.29Å; D406-E410 WeakPolarHBondContact O-CG 3.45Å; D406-E410 PolarHBondContact O-N 3.46Å; A407-E410 PolarHBondContact O-N 3.02Å; E410-Q412 PolarHBondContact O-N 3.3Å; E410-K413 WeakPolarHBondContact O-CB 3.15Å; E410-K413 PolarHBondContact O-N 2.77Å
411A92.9Very high92.6Very high86 Ų86110.7 Ų110.771%0.71156%0.559SS**Hα-helixtrans-64.7-27.1175.700000113A407 K413A407-A411 WeakPolarHBondContact O-CB 3.33Å; A407-A411 PolarHBondContact O-N 3.42Å; A411-K413 VanDerWaalsContact C-N 3.32Å
412Q91.9Very high92.5Very high161 Ų161111.9 Ų111.975%0.75257%0.565SS**THydrogen-bonded Turntrans-78.5-16.8174-71.9175.110.300113L408 H409 E410L408-Q412 WeakPolarHBondContact O-CG 3.29Å; L408-Q412 PolarHBondContact O-N 3.38Å; H409-Q412 PolarHBondContact O-N 3.43Å; E410-Q412 PolarHBondContact O-N 3.3Å
413K91.1Very high92.4Very high67 Ų67109.1 Ų109.129%0.29155%0.553SS.*SBendtrans-89.4152.4-176.9-72.7170-176178.30111.8H409 E410 A411 D423H409-K413 WeakPolarHBondContact CE1-CE 3.19Å; H409-K413 PolarHBondContact CE1-NZ 3.01Å; H409-K413 PolarHBondContact ND1-NZ 3.11Å; H409-K413 VanDerWaalsContact ND1-NZ 3.15Å; H409-K413 VanDerWaalsContact NE2-CE 3.34Å; H409-K413 WeakPolarHBondContact NE2-CE 3.27Å; H409-K413 WeakPolarHBondContact O-CG 3Å; H409-K413 PolarHBondContact O-N 3.4Å; E410-K413 WeakPolarHBondContact O-CB 3.15Å; E410-K413 PolarHBondContact O-N 2.77Å; A411-K413 VanDerWaalsContact C-N 3.32Å; K413-D423 WeakPolarHBondContact CE-OD2 3.46Å; K413-D423 IonicContact NZ-OD2 3.87Å; K413-D423 PolarHBondContact NZ-OD2 2.83Å
414P92.5Very high92.2Very high91 Ų91104.7 Ų104.759%0.59154%0.536SS*.  trans-63.8151.716829.3-34.6000110.7A416P414-A416 VanDerWaalsContact C-N 3.29Å; P414-A416 PolarHBondContact O-N 2.77Å
415L92.7Very high92.1Very high184 Ų184102.7 Ų102.796%0.96353%0.526SS*.SBendtrans-58.9-39.8179.9177.463.7000112.7
416A92.5Very high92Very high57 Ų57102.9 Ų102.947%0.47152%0.522SS..SBendtrans-91.9130.7178.600000110.3P414P414-A416 VanDerWaalsContact C-N 3.29Å; P414-A416 PolarHBondContact O-N 2.77Å
417R90.2Very high91.9Very high173 Ų173103.8 Ų103.865%0.65352%0.524SS*.PPolyproline II helixtrans-84.6128.7169.7-65.9-173.9-178.1-174.4-0.3110D421R417-D421 WeakPolarHBondContact CA-OD2 3.5Å; R417-D421 WeakPolarHBondContact CB-OD2 3.49Å; R417-D421 WeakPolarHBondContact CG-OD2 3.32Å
418H91.4Very high91.7Very high115 Ų115104.6 Ų104.653%0.53252%0.522SS..PPolyproline II helixtrans-103.6166.9177.4-78.1-78.7000111.8D420 D421H418-D420 PolarHBondContact O-N 3.29Å; H418-D421 VanDerWaalsContact N-CG 3.34Å; H418-D421 PolarHBondContact N-OD1 3.28Å; H418-D421 PolarHBondContact N-OD2 3.32Å; H418-D421 VanDerWaalsContact O-CB 3.31Å; H418-D421 WeakPolarHBondContact O-CB 3.25Å; H418-D421 PolarHBondContact O-N 3.5Å; H418-D421 VanDerWaalsContact O-N 3.15Å
419Y91.1Very high91.5Very high175 Ų175108.2 Ų108.269%0.68653%0.527SS*.THydrogen-bonded Turntrans-65.7-23.2176.865.1-88.9000112.4D421Y419-D421 VanDerWaalsContact C-N 3.32Å
420D91.6Very high91.4Very high112 Ų112111.2 Ų111.260%0.59954%0.541SS*.THydrogen-bonded Turntrans-864.9175.4-68.8-37.5000113.3H418 E422H418-D420 PolarHBondContact O-N 3.29Å; D420-E422 PolarHBondContact O-N 3.2Å
421D92.5Very high91.4Very high40 Ų40111.2 Ų111.221%0.21454%0.541CS..  trans-64.6116179.1-83.65.6000111.2R417 H418 Y419 D423 L424 D425R417-D421 WeakPolarHBondContact CA-OD2 3.5Å; R417-D421 WeakPolarHBondContact CB-OD2 3.49Å; R417-D421 WeakPolarHBondContact CG-OD2 3.32Å; H418-D421 VanDerWaalsContact N-CG 3.34Å; H418-D421 PolarHBondContact N-OD1 3.28Å; H418-D421 PolarHBondContact N-OD2 3.32Å; H418-D421 VanDerWaalsContact O-CB 3.31Å; H418-D421 WeakPolarHBondContact O-CB 3.25Å; H418-D421 PolarHBondContact O-N 3.5Å; H418-D421 VanDerWaalsContact O-N 3.15Å; Y419-D421 VanDerWaalsContact C-N 3.32Å; D421-D423 PolarHBondContact O-N 3.28Å; D421-D423 VanDerWaalsContact O-N 3.12Å; D421-L424 HydrophobicContact CB-CB 3.91Å; D421-L424 WeakPolarHBondContact O-CB 3.45Å; D421-L424 PolarHBondContact O-N 3.23Å; D421-L424 VanDerWaalsContact O-N 3.09Å; D421-D425 PolarHBondContact O-N 3.35Å
422E91.3Very high91.1Very high150 Ų150111.7 Ų111.770%0.70153%0.529SS*.Hα-helixtrans-56.3-35-178.7-61.4-172.117100113.4D420 D425 R426D420-E422 PolarHBondContact O-N 3.2Å; E422-D425 PolarHBondContact O-N 2.71Å; E422-R426 VanDerWaalsContact O-CB 3.29Å; E422-R426 WeakPolarHBondContact O-CB 3.49Å; E422-R426 PolarHBondContact O-N 2.94Å
423D90.4Very high91.1Very high55 Ų55110.4 Ų110.429%0.29452%0.517SS..Hα-helixtrans-71.8-38.7179.9-83.8-2.8000113H409 K413 D421 D425 R426 M427H409-D423 IonicContact CE1-OD2 3.78Å; H409-D423 PolarHBondContact CE1-OD2 3.24Å; H409-D423 IonicContact NE2-OD2 2.72Å; K413-D423 WeakPolarHBondContact CE-OD2 3.46Å; K413-D423 IonicContact NZ-OD2 3.87Å; K413-D423 PolarHBondContact NZ-OD2 2.83Å; D421-D423 PolarHBondContact O-N 3.28Å; D421-D423 VanDerWaalsContact O-N 3.12Å; D423-D425 VanDerWaalsContact C-N 3.31Å; D423-R426 PolarHBondContact O-N 3Å; D423-R426 IonicContact OD1-NE 2.96Å; D423-M427 WeakPolarHBondContact O-CB 3.38Å; D423-M427 PolarHBondContact O-N 2.63Å
424L90.5Very high91Very high54 Ų54116.9 Ų116.928%0.28355%0.548SS..Hα-helixtrans-63.5-45.3173.1177.863.5000109.5D421 R426 M427 L428D421-L424 HydrophobicContact CB-CB 3.91Å; D421-L424 WeakPolarHBondContact O-CB 3.45Å; D421-L424 PolarHBondContact O-N 3.23Å; D421-L424 VanDerWaalsContact O-N 3.09Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-R426 PolarHBondContact O-N 2.64Å; L424-M427 HydrophobicContact CD1-CE 3.77Å; L424-M427 PolarHBondContact O-N 3.13Å; L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CG 4.36Å; L424-L428 HydrophobicContact CG-CD1 4Å; L424-L428 WeakPolarHBondContact O-CB 3.39Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 3.41Å
425D93.4Very high90.9Very high59 Ų59116.5 Ų116.532%0.31656%0.561SS.*Hα-helixtrans-61.9-42.3179.1-127.942.2000111.7D421 E422 D423 L428 R429D421-D425 PolarHBondContact O-N 3.35Å; E422-D425 PolarHBondContact O-N 2.71Å; D423-D425 VanDerWaalsContact C-N 3.31Å; D425-L428 PolarHBondContact O-N 2.99Å; D425-R429 WeakPolarHBondContact O-CB 3.35Å; D425-R429 WeakPolarHBondContact O-CG 3.15Å; D425-R429 PolarHBondContact O-N 2.95Å; D425-R429 IonicContact OD2-CZ 3.49Å; D425-R429 IonicContact OD2-NE 3.66Å; D425-R429 IonicContact OD2-NH2 3.28Å; D425-R429 PolarHBondContact OD2-NH2 2.96Å
426R93.1Very high90.9Very high130 Ų130110.8 Ų110.849%0.49153%0.531SS..Hα-helixtrans-62-48.2174.1-168.2-172.7-45.9-79.6-6.3111.4E422 D423 L424 L428 R429 E430E422-R426 VanDerWaalsContact O-CB 3.29Å; E422-R426 WeakPolarHBondContact O-CB 3.49Å; E422-R426 PolarHBondContact O-N 2.94Å; D423-R426 PolarHBondContact O-N 3Å; D423-R426 IonicContact OD1-NE 2.96Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-R426 PolarHBondContact O-N 2.64Å; R426-L428 PolarHBondContact O-N 3.33Å; R426-R429 PolarHBondContact O-N 3.49Å; R426-E430 WeakPolarHBondContact O-CG 3.29Å; R426-E430 PolarHBondContact O-N 2.74Å
427M90.8Very high90.9Very high108 Ų108113.9 Ų113.953%0.53255%0.546SS..Hα-helixtrans-60-43.9178.2-175.7-163.273.100111.6D423 L424 R429 E430 Q431D423-M427 WeakPolarHBondContact O-CB 3.38Å; D423-M427 PolarHBondContact O-N 2.63Å; L424-M427 HydrophobicContact CD1-CE 3.77Å; L424-M427 PolarHBondContact O-N 3.13Å; M427-R429 VanDerWaalsContact C-N 3.33Å; M427-R429 PolarHBondContact O-N 3.37Å; M427-E430 PolarHBondContact O-N 2.63Å; M427-Q431 PolarHBondContact O-N 3.19Å
428L90.8Very high90.9Very high66 Ų66110.4 Ų110.435%0.34654%0.539SS..Hα-helixtrans-68.4-28.8178.5-72.9171.4000113.6L424 D425 R426 R433L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CG 4.36Å; L424-L428 HydrophobicContact CG-CD1 4Å; L424-L428 WeakPolarHBondContact O-CB 3.39Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 3.41Å; D425-L428 PolarHBondContact O-N 2.99Å; R426-L428 PolarHBondContact O-N 3.33Å; L428-R433 PolarHBondContact O-NH2 3.37Å
429R89.5Confident90.8Very high193 Ų193105.6 Ų105.673%0.72852%0.519SS*.Hα-helixtrans-75.7-34173.1-73.4171.9-165.1-167.98.2112.3D425 R426 M427D425-R429 WeakPolarHBondContact O-CB 3.35Å; D425-R429 WeakPolarHBondContact O-CG 3.15Å; D425-R429 PolarHBondContact O-N 2.95Å; D425-R429 IonicContact OD2-CZ 3.49Å; D425-R429 IonicContact OD2-NE 3.66Å; D425-R429 IonicContact OD2-NH2 3.28Å; D425-R429 PolarHBondContact OD2-NH2 2.96Å; R426-R429 PolarHBondContact O-N 3.49Å; M427-R429 VanDerWaalsContact C-N 3.33Å; M427-R429 PolarHBondContact O-N 3.37Å
430E89.3Confident90.7Very high143 Ų14399.8 Ų99.867%0.66851%0.513SS*.Hα-helixtrans-78.9-23.5177.8-73.7-175.6-166.700113.4R426 M427 E432R426-E430 WeakPolarHBondContact O-CG 3.29Å; R426-E430 PolarHBondContact O-N 2.74Å; M427-E430 PolarHBondContact O-N 2.63Å; E430-E432 PolarHBondContact O-N 3.11Å; E430-E432 VanDerWaalsContact O-N 3.1Å
431Q89.5Confident90.5Very high116 Ų116100.1 Ų100.154%0.54251%0.512SS..SBendtrans-60.1115.2177.4-171.1176.730.800110.5M427 R433M427-Q431 PolarHBondContact O-N 3.19Å; Q431-R433 PolarHBondContact O-N 3.07Å
432E87.6Confident90.1Very high96 Ų96102.8 Ų102.845%0.44953%0.526SS..PPolyproline II helixtrans-71.6123.9174.3-174.1166.1-154.800109.8E430 A439 R443E430-E432 PolarHBondContact O-N 3.11Å; E430-E432 VanDerWaalsContact O-N 3.1Å; E432-A439 HydrophobicContact CG-CB 4.4Å; E432-R443 VanDerWaalsContact CD-NE 3.27Å; E432-R443 IonicContact OE1-CZ 3.09Å; E432-R443 IonicContact OE1-NE 3.3Å; E432-R443 PolarHBondContact OE1-NE 2.95Å; E432-R443 IonicContact OE1-NH2 3.51Å; E432-R443 PolarHBondContact OE1-NH2 3.1Å; E432-R443 IonicContact OE2-CZ 2.8Å; E432-R443 IonicContact OE2-NE 3.16Å; E432-R443 PolarHBondContact OE2-NE 3.42Å; E432-R443 VanDerWaalsContact OE2-NE 3.11Å; E432-R443 IonicContact OE2-NH2 2.98Å; E432-R443 PolarHBondContact OE2-NH2 3.09Å
433R90.7Very high89.9Confident135 Ų135102.3 Ų102.351%0.50952%0.518SS..PPolyproline II helixtrans-99.7128.8177-64.7-177-173.279.28.9109.4L428 Q431 G435 D436L428-R433 PolarHBondContact O-NH2 3.37Å; Q431-R433 PolarHBondContact O-N 3.07Å; R433-G435 PolarHBondContact O-N 2.95Å; R433-D436 PolarHBondContact O-N 3.11Å
434E89.7Confident89.6Confident202 Ų202107.6 Ų107.694%0.94453%0.533SS*.THydrogen-bonded Turntrans-64.3134.9172.9-61.4-175.8173.400109.4
435G90.6Very high89.5Confident83 Ų83111.5 Ų111.586%0.85655%0.548SS*.THydrogen-bonded Turntrans85.33-176.900000115.6R433 P437R433-G435 PolarHBondContact O-N 2.95Å; G435-P437 WeakPolarHBondContact O-CD 3.4Å
436D93.3Very high89.1Confident65 Ų65116 Ų11635%0.34856%0.564SS.*  trans-72.6118.3170174.99.2000110.6R433 M438 A439R433-D436 PolarHBondContact O-N 3.11Å; D436-M438 PolarHBondContact O-N 3.12Å; D436-M438 VanDerWaalsContact O-N 3.14Å; D436-M438 WeakPolarHBondContact OD1-CB 3.42Å; D436-M438 PolarHBondContact OD1-N 3.38Å; D436-A439 HydrophobicContact CB-CB 4.1Å; D436-A439 WeakPolarHBondContact O-CB 2.83Å; D436-A439 PolarHBondContact O-N 2.9Å
437P92.1Very high88.6Confident121 Ų121116.4 Ų116.479%0.78657%0.572SS**THydrogen-bonded Turntrans-61.5-21.5178.526.4-35.7000113.5G435G435-P437 WeakPolarHBondContact O-CD 3.4Å
438M89.8Confident88.1Confident101 Ų101120.1 Ų120.150%0.49858%0.58SS.*THydrogen-bonded Turntrans-91.3-12.3179.2-71.7-165.442.400114.7D436 G440 M441 L442D436-M438 PolarHBondContact O-N 3.12Å; D436-M438 VanDerWaalsContact O-N 3.14Å; D436-M438 WeakPolarHBondContact OD1-CB 3.42Å; D436-M438 PolarHBondContact OD1-N 3.38Å; M438-G440 VanDerWaalsContact C-N 3.29Å; M438-G440 PolarHBondContact O-N 3.22Å; M438-M441 HydrophobicContact CB-CE 4.09Å; M438-M441 HydrophobicContact CE-CE 4.29Å; M438-M441 HydrophobicContact CG-CE 3.65Å; M438-M441 PolarHBondContact O-N 2.98Å; M438-M441 HydrophobicContact SD-CE 4.4Å; M438-L442 PolarHBondContact O-N 3.39Å; M438-L442 VanDerWaalsContact O-N 3.17Å
439A89.9Confident87.5Confident13 Ų13121.9 Ų121.911%0.10759%0.59CS.*Hα-helixtrans-55-42.5-175.100000113E432 D436 M441 L442 R443E432-A439 HydrophobicContact CG-CB 4.4Å; D436-A439 HydrophobicContact CB-CB 4.1Å; D436-A439 WeakPolarHBondContact O-CB 2.83Å; D436-A439 PolarHBondContact O-N 2.9Å; A439-M441 VanDerWaalsContact C-N 3.32Å; A439-M441 PolarHBondContact O-N 2.95Å; A439-L442 PolarHBondContact O-N 2.91Å; A439-R443 WeakPolarHBondContact O-CG 3.28Å; A439-R443 PolarHBondContact O-N 2.95Å
440G87.8Confident87Confident54 Ų54116.9 Ų116.956%0.55758%0.581SS**Hα-helixtrans-61.4-35.717800000113.9M438 R444M438-G440 VanDerWaalsContact C-N 3.29Å; M438-G440 PolarHBondContact O-N 3.22Å; G440-R444 PolarHBondContact O-N 2.84Å
441M87.1Confident85.9Confident118 Ų118116.5 Ų116.558%0.58159%0.589SS**Hα-helixtrans-71.9-39.5176.4-66.2-170.5-71.900111.8M438 A439 R444 K445M438-M441 HydrophobicContact CB-CE 4.09Å; M438-M441 HydrophobicContact CE-CE 4.29Å; M438-M441 HydrophobicContact CG-CE 3.65Å; M438-M441 PolarHBondContact O-N 2.98Å; M438-M441 HydrophobicContact SD-CE 4.4Å; A439-M441 VanDerWaalsContact C-N 3.32Å; A439-M441 PolarHBondContact O-N 2.95Å; M441-R444 PolarHBondContact O-N 2.91Å; M441-K445 PolarHBondContact O-N 2.89Å; M441-K445 VanDerWaalsContact O-N 3.08Å
442L85.9Confident85Confident96 Ų96116.2 Ų116.250%0.50360%0.595SS.*Hα-helixtrans-64.1-43.5178-69.4165.8000111.4M438 A439 R444 K445 K446M438-L442 PolarHBondContact O-N 3.39Å; M438-L442 VanDerWaalsContact O-N 3.17Å; A439-L442 PolarHBondContact O-N 2.91Å; L442-R444 PolarHBondContact O-N 2.88Å; L442-K445 PolarHBondContact O-N 2.9Å; L442-K446 PolarHBondContact O-N 2.9Å
443R86.3Confident84.4Confident141 Ų141117.8 Ų117.853%0.53261%0.613SS.*Hα-helixtrans-55.5-51.4173.3-74.4-175.6174.3177.84.9112E432 A439 K445 K446 E447E432-R443 VanDerWaalsContact CD-NE 3.27Å; E432-R443 IonicContact OE1-CZ 3.09Å; E432-R443 IonicContact OE1-NE 3.3Å; E432-R443 PolarHBondContact OE1-NE 2.95Å; E432-R443 IonicContact OE1-NH2 3.51Å; E432-R443 PolarHBondContact OE1-NH2 3.1Å; E432-R443 IonicContact OE2-CZ 2.8Å; E432-R443 IonicContact OE2-NE 3.16Å; E432-R443 PolarHBondContact OE2-NE 3.42Å; E432-R443 VanDerWaalsContact OE2-NE 3.11Å; E432-R443 IonicContact OE2-NH2 2.98Å; E432-R443 PolarHBondContact OE2-NH2 3.09Å; A439-R443 WeakPolarHBondContact O-CG 3.28Å; A439-R443 PolarHBondContact O-N 2.95Å; R443-K445 VanDerWaalsContact C-N 3.28Å; R443-K445 PolarHBondContact O-N 3.08Å; R443-K446 WeakPolarHBondContact O-CB 3.25Å; R443-K446 PolarHBondContact O-N 3.16Å; R443-K446 VanDerWaalsContact O-N 3.08Å; R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.31Å
444R84.9Confident83.7Confident165 Ų165115.4 Ų115.462%0.62362%0.623SS**Hα-helixtrans-62.8-34-178.7-164.6167.877137.7-2.4112.8G440 M441 L442 R448G440-R444 PolarHBondContact O-N 2.84Å; M441-R444 PolarHBondContact O-N 2.91Å; L442-R444 PolarHBondContact O-N 2.88Å; R444-R448 PolarHBondContact O-N 3.14Å
445K87.1Confident83.4Confident137 Ų137114.1 Ų114.160%0.59661%0.614SS**Hα-helixtrans-69-41.4174.1-173.3176.3176.1-176.40111.4M441 L442 R443 R448 N449M441-K445 PolarHBondContact O-N 2.89Å; M441-K445 VanDerWaalsContact O-N 3.08Å; L442-K445 PolarHBondContact O-N 2.9Å; R443-K445 VanDerWaalsContact C-N 3.28Å; R443-K445 PolarHBondContact O-N 3.08Å; K445-R448 PolarHBondContact O-N 3.47Å; K445-N449 VanDerWaalsContact O-CG 3.32Å; K445-N449 PolarHBondContact O-N 3.09Å; K445-N449 VanDerWaalsContact O-N 3.15Å; K445-N449 PolarHBondContact O-ND2 3.16Å
446K84.9Confident83.3Confident152 Ų152114 Ų11466%0.66160%0.598SS**Hα-helixtrans-62.6-46177.4-167.2170.6-176.5170.50111.4L442 R443 R448 N449 T450L442-K446 PolarHBondContact O-N 2.9Å; R443-K446 WeakPolarHBondContact O-CB 3.25Å; R443-K446 PolarHBondContact O-N 3.16Å; R443-K446 VanDerWaalsContact O-N 3.08Å; K446-R448 VanDerWaalsContact C-N 3.3Å; K446-R448 PolarHBondContact O-N 2.66Å; K446-N449 PolarHBondContact O-N 2.8Å; K446-T450 WeakPolarHBondContact O-CG2 3.41Å; K446-T450 PolarHBondContact O-N 2.89Å
447E82.5Confident83.1Confident140 Ų140118.6 Ų118.665%0.65461%0.611SS**Hα-helixtrans-59.7-37.7176.1-70.6172.5-174.900113R443 T450R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.31Å; E447-T450 PolarHBondContact O-OG1 3.39Å
448R81.6Confident83.1Confident186 Ų186114.6 Ų114.670%0.70258%0.58SS**Hα-helixtrans-70.1-33177.6-171.2-178.8-62-169.1-1.4112.9R444 K445 K446R444-R448 PolarHBondContact O-N 3.14Å; K445-R448 PolarHBondContact O-N 3.47Å; K446-R448 VanDerWaalsContact C-N 3.3Å; K446-R448 PolarHBondContact O-N 2.66Å
449N78.4Confident83Confident102 Ų102118.8 Ų118.855%0.54560%0.599SS.*Hα-helixtrans-85.8-7.6-173.9-72.3-13.2000113.7K445 K446 T451K445-N449 VanDerWaalsContact O-CG 3.32Å; K445-N449 PolarHBondContact O-N 3.09Å; K445-N449 VanDerWaalsContact O-N 3.15Å; K445-N449 PolarHBondContact O-ND2 3.16Å; K446-N449 PolarHBondContact O-N 2.8Å; N449-T451 PolarHBondContact O-N 3.2Å; N449-T451 PolarHBondContact O-OG1 3.1Å
450T77.1Confident83Confident89 Ų89120 Ų12055%0.54661%0.612SS.*  trans-70.298.3176.661.30000110.2K446 E447K446-T450 WeakPolarHBondContact O-CG2 3.41Å; K446-T450 PolarHBondContact O-N 2.89Å; E447-T450 PolarHBondContact O-OG1 3.39Å
451T67.2Low83.1Confident135 Ų135121.2 Ų121.283%0.82861%0.61SS**  trans-79.2-21-174.5-60.50000112.5N449N449-T451 PolarHBondContact O-N 3.2Å; N449-T451 PolarHBondContact O-OG1 3.1Å
452T71.1Confident83.1Confident110 Ų110121.4 Ų121.468%0.67562%0.62SS**SBendtrans-91.5131.2178.554.70000111.1A454T452-A454 PolarHBondContact O-N 3.42Å
453P73.8Confident83.4Confident128 Ų128119.2 Ų119.283%0.83161%0.612SS**  trans-60.5113.2174.725.2-32.5000109.4
454A76.9Confident83.6Confident85 Ų85115.6 Ų115.670%0.70261%0.606SS**PPolyproline II helixtrans-63.2141.7179.300000110.1T452T452-A454 PolarHBondContact O-N 3.42Å
455K83.4Confident83.9Confident175 Ų175112.2 Ų112.276%0.76161%0.606SS**PPolyproline II helixtrans-54.6138.6168.5-69174.9-178.9173.40108.1R457K455-R457 PolarHBondContact O-N 3.48Å
456P89Confident84.2Confident81 Ų81108.3 Ų108.353%0.52659%0.592SS.*PPolyproline II helixtrans-56136.6177.724.3-33.5000109Y474P456-Y474 HydrophobicContact CB-CD1 4.23Å; P456-Y474 HydrophobicContact CB-CD2 3.91Å; P456-Y474 HydrophobicContact CB-CG 3.73Å; P456-Y474 HydrophobicContact CG-CD1 3.63Å; P456-Y474 HydrophobicContact CG-CD2 3.91Å; P456-Y474 HydrophobicContact CG-CE1 3.91Å; P456-Y474 HydrophobicContact CG-CE2 4.17Å; P456-Y474 HydrophobicContact CG-CG 3.63Å; P456-Y474 WeakPolarHBondContact O-CB 3.28Å
457R88.9Confident84.6Confident162 Ų162107 Ų10761%0.61158%0.582SS**  trans-109.5156.4177.1-63.1179.375.6172.84.9108.9K455K455-R457 PolarHBondContact O-N 3.48Å
458Y91.9Very high85Confident36 Ų36106.1 Ų106.114%0.14158%0.577CS.*  trans-64.1135174.3173.6-107.2000110.7G460 P461 P472 W476 G478Y458-G460 VanDerWaalsContact CE1-C 3.48Å; Y458-G460 WeakPolarHBondContact CE1-O 3.07Å; Y458-G460 VanDerWaalsContact CZ-C 3.48Å; Y458-G460 VanDerWaalsContact OH-C 3.3Å; Y458-G460 VanDerWaalsContact OH-CA 3.28Å; Y458-G460 WeakPolarHBondContact OH-CA 3.28Å; Y458-P461 WeakPolarHBondContact CE1-O 3.46Å; Y458-P461 WeakPolarHBondContact OH-CD 3.13Å; Y458-P461 PolarHBondContact OH-O 3.16Å; Y458-P461 VanDerWaalsContact OH-O 3.09Å; Y458-P472 HydrophobicContact CD1-CG 3.55Å; Y458-P472 HydrophobicContact CD2-CG 4.43Å; Y458-P472 HydrophobicContact CE1-CG 4.1Å; Y458-P472 HydrophobicContact CG-CG 3.71Å; Y458-W476 HydrophobicContact CD1-CE3 4.18Å; Y458-W476 HydrophobicContact CD1-CZ3 4.47Å; Y458-W476 HydrophobicContact CD2-CB 4.13Å; Y458-W476 AromaticContact CD2-CE3 3.99Å; Y458-W476 HydrophobicContact CD2-CE3 3.99Å; Y458-W476 WeakPolarHBondContact CD2-O 3.36Å; Y458-W476 AromaticContact CE1-CE3 3.68Å; Y458-W476 HydrophobicContact CE1-CE3 3.68Å; Y458-W476 AromaticContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE2-CB 4.27Å; Y458-W476 HydrophobicContact CE2-CD2 4.28Å; Y458-W476 AromaticContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CE3 3.49Å; Y458-W476 VanDerWaalsContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CZ3 4.17Å; Y458-W476 WeakPolarHBondContact CE2-O 3.15Å; Y458-W476 HydrophobicContact CG-CE3 4.29Å; Y458-W476 AromaticContact CZ-CE3 3.29Å; Y458-W476 AromaticContact CZ-CZ3 3.47Å; Y458-W476 VanDerWaalsContact CZ-CZ3 3.47Å; Y458-W476 WeakPolarHBondContact OH-CZ3 3.1Å; Y458-G478 WeakPolarHBondContact OH-CA 3.17Å
459Q87.9Confident85.4Confident190 Ų190103.8 Ų103.889%0.88858%0.578SS**  trans-118.68.1-175.2-60.6-178.51200113
460G88.4Confident85.9Confident38 Ų38104.4 Ų104.439%0.39258%0.58SS.*SBendtrans-89-169.7-178.200000113.8Y458Y458-G460 VanDerWaalsContact CE1-C 3.48Å; Y458-G460 WeakPolarHBondContact CE1-O 3.07Å; Y458-G460 VanDerWaalsContact CZ-C 3.48Å; Y458-G460 VanDerWaalsContact OH-C 3.3Å; Y458-G460 VanDerWaalsContact OH-CA 3.28Å; Y458-G460 WeakPolarHBondContact OH-CA 3.28Å
461P89.8Confident86.5Confident80 Ų80105.7 Ų105.752%0.51958%0.58SS.*SBendtrans-55.9151.7179.225-36.9000112.4Y458 P463Y458-P461 WeakPolarHBondContact CE1-O 3.46Å; Y458-P461 WeakPolarHBondContact OH-CD 3.13Å; Y458-P461 PolarHBondContact OH-O 3.16Å; Y458-P461 VanDerWaalsContact OH-O 3.09Å; P461-P463 VanDerWaalsContact O-N 3.17Å
462P88.7Confident87.8Confident121 Ų121100.8 Ų100.879%0.78655%0.551SS**PPolyproline II helixtrans-53.5125.5-176.122.5-33.4000110.9
463P91Very high88.8Confident51 Ų5198 Ų9833%0.33154%0.544SS..PPolyproline II helixtrans-64.5152.8-179.626.1-34.3000111.2P461 P472 W476P461-P463 VanDerWaalsContact O-N 3.17Å; P463-P472 HydrophobicContact CB-CG 3.91Å; P463-P472 HydrophobicContact CG-CG 4Å; P463-W476 HydrophobicContact CB-CE3 4.45Å; P463-W476 HydrophobicContact CB-CH2 3.89Å; P463-W476 HydrophobicContact CB-CZ3 3.55Å
464P90.6Very high89.6Confident64 Ų6497.7 Ų97.742%0.41653%0.527SS..PPolyproline II helixtrans-58.5143.3168.325.7-32.4000110.1
465P92.4Very high90.4Very high95 Ų95103.1 Ų103.162%0.61753%0.529SS*.PPolyproline II helixtrans-64.8141.2179.927.3-33.9000110.5Y490P465-Y490 HydrophobicContact CB-CE2 4.19Å; P465-Y490 HydrophobicContact CG-CE2 4.19Å
466N92.6Very high91Very high54 Ų5498.1 Ų98.129%0.28951%0.506SS..  trans-123.1145.1177.9175.7-1000108.6F468 N469 Y490N466-F468 PolarHBondContact O-N 3.25Å; N466-F468 PolarHBondContact OD1-N 2.86Å; N466-N469 PolarHBondContact O-N 2.88Å; N466-Y490 PolarHBondContact O-OH 2.86Å; N466-Y490 VanDerWaalsContact O-OH 3.1Å
467R93.5Very high91.2Very high124 Ų12498.4 Ų98.447%0.46850%0.503SS..THydrogen-bonded Turntrans-41.9-36.5175.7178.3175.770172.2-10.3114.4E486 Y490R467-E486 PolarHBondContact N-OE2 3.02Å; R467-Y490 PolarHBondContact N-OH 3.23Å; R467-Y490 VanDerWaalsContact N-OH 3.1Å
468F91Very high91.3Very high122 Ų12291.7 Ų91.754%0.53548%0.484SS..THydrogen-bonded Turntrans-97.52.6-174.6-59.2-65.7000114.5N466 I470N466-F468 PolarHBondContact O-N 3.25Å; N466-F468 PolarHBondContact OD1-N 2.86Å; F468-I470 HydrophobicContact CB-CD1 3.58Å; F468-I470 HydrophobicContact CB-CG1 3.71Å; F468-I470 HydrophobicContact CD2-CD1 4.42Å; F468-I470 HydrophobicContact CG-CD1 4.28Å; F468-I470 PolarHBondContact O-N 2.94Å
469N89.3Confident91.3Very high138 Ų13893.6 Ų93.674%0.73850%0.499SS*.  trans52.723.7-177.1-63.159.2000113.6N466 Q471N466-N469 PolarHBondContact O-N 2.88Å; N469-Q471 PolarHBondContact O-N 3.33Å
470I89.8Confident91.5Very high115 Ų11589 Ų8959%0.5948%0.481SS*.PPolyproline II helixtrans-74.7122.8179.7-63.1164.8000108.3F468F468-I470 HydrophobicContact CB-CD1 3.58Å; F468-I470 HydrophobicContact CB-CG1 3.71Å; F468-I470 HydrophobicContact CD2-CD1 4.42Å; F468-I470 HydrophobicContact CG-CD1 4.28Å; F468-I470 PolarHBondContact O-N 2.94Å
471Q89.6Confident91.6Very high116 Ų11695.4 Ų95.454%0.54249%0.493SS..PPolyproline II helixtrans-67.3142.2173.2-68.7-167.8-14.100110.6N469N469-Q471 PolarHBondContact O-N 3.33Å
472P93.8Very high91.7Very high32 Ų3295 Ų9521%0.20849%0.492CS..PPolyproline II helixtrans-60.6152.2174.829.6-38.3000110.8Y458 P463 W476Y458-P472 HydrophobicContact CD1-CG 3.55Å; Y458-P472 HydrophobicContact CD2-CG 4.43Å; Y458-P472 HydrophobicContact CE1-CG 4.1Å; Y458-P472 HydrophobicContact CG-CG 3.71Å; P463-P472 HydrophobicContact CB-CG 3.91Å; P463-P472 HydrophobicContact CG-CG 4Å; P472-W476 HydrophobicContact CB-CB 3.85Å; P472-W476 HydrophobicContact CB-CD2 3.66Å; P472-W476 HydrophobicContact CB-CE3 3.35Å; P472-W476 HydrophobicContact CB-CG 3.9Å; P472-W476 HydrophobicContact CB-CZ3 4.16Å; P472-W476 HydrophobicContact CG-CD2 4.23Å; P472-W476 HydrophobicContact CG-CE3 3.39Å; P472-W476 HydrophobicContact CG-CZ3 3.88Å
473G91.9Very high92Very high52 Ų5296.3 Ų96.354%0.53649%0.493SS..PPolyproline II helixtrans-61.9154.2173.600000111.7R475 W476G473-R475 PolarHBondContact O-N 3.13Å; G473-W476 VanDerWaalsContact O-CB 3.28Å; G473-W476 WeakPolarHBondContact O-CB 3.38Å; G473-W476 PolarHBondContact O-N 3.16Å
474Y92.2Very high92.2Very high120 Ų12094.6 Ų94.647%0.47149%0.485SS..THydrogen-bonded Turntrans-58-20.3-176.776.1-86.9000115.6P456P456-Y474 HydrophobicContact CB-CD1 4.23Å; P456-Y474 HydrophobicContact CB-CD2 3.91Å; P456-Y474 HydrophobicContact CB-CG 3.73Å; P456-Y474 HydrophobicContact CG-CD1 3.63Å; P456-Y474 HydrophobicContact CG-CD2 3.91Å; P456-Y474 HydrophobicContact CG-CE1 3.91Å; P456-Y474 HydrophobicContact CG-CE2 4.17Å; P456-Y474 HydrophobicContact CG-CG 3.63Å; P456-Y474 WeakPolarHBondContact O-CB 3.28Å
475R93.5Very high92.4Very high200 Ų20097.5 Ų97.576%0.75549%0.491SS*.THydrogen-bonded Turntrans-93.6-1.7-179.8-53.6176.775.5108.9-5.1113.3G473G473-R475 PolarHBondContact O-N 3.13Å
476W94.8Very high92.5Very high69 Ų6995.4 Ų95.426%0.26147%0.473SS..  trans-64140175.9-173.752.3000108.8Y458 P463 P472 G473Y458-W476 HydrophobicContact CD1-CE3 4.18Å; Y458-W476 HydrophobicContact CD1-CZ3 4.47Å; Y458-W476 HydrophobicContact CD2-CB 4.13Å; Y458-W476 AromaticContact CD2-CE3 3.99Å; Y458-W476 HydrophobicContact CD2-CE3 3.99Å; Y458-W476 WeakPolarHBondContact CD2-O 3.36Å; Y458-W476 AromaticContact CE1-CE3 3.68Å; Y458-W476 HydrophobicContact CE1-CE3 3.68Å; Y458-W476 AromaticContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE1-CZ3 3.68Å; Y458-W476 HydrophobicContact CE2-CB 4.27Å; Y458-W476 HydrophobicContact CE2-CD2 4.28Å; Y458-W476 AromaticContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CE3 3.49Å; Y458-W476 VanDerWaalsContact CE2-CE3 3.49Å; Y458-W476 HydrophobicContact CE2-CZ3 4.17Å; Y458-W476 WeakPolarHBondContact CE2-O 3.15Å; Y458-W476 HydrophobicContact CG-CE3 4.29Å; Y458-W476 AromaticContact CZ-CE3 3.29Å; Y458-W476 AromaticContact CZ-CZ3 3.47Å; Y458-W476 VanDerWaalsContact CZ-CZ3 3.47Å; Y458-W476 WeakPolarHBondContact OH-CZ3 3.1Å; P463-W476 HydrophobicContact CB-CE3 4.45Å; P463-W476 HydrophobicContact CB-CH2 3.89Å; P463-W476 HydrophobicContact CB-CZ3 3.55Å; P472-W476 HydrophobicContact CB-CB 3.85Å; P472-W476 HydrophobicContact CB-CD2 3.66Å; P472-W476 HydrophobicContact CB-CE3 3.35Å; P472-W476 HydrophobicContact CB-CG 3.9Å; P472-W476 HydrophobicContact CB-CZ3 4.16Å; P472-W476 HydrophobicContact CG-CD2 4.23Å; P472-W476 HydrophobicContact CG-CE3 3.39Å; P472-W476 HydrophobicContact CG-CZ3 3.88Å; G473-W476 VanDerWaalsContact O-CB 3.28Å; G473-W476 WeakPolarHBondContact O-CB 3.38Å; G473-W476 PolarHBondContact O-N 3.16Å
477D92.7Very high92.6Very high87 Ų8799.7 Ų99.747%0.46549%0.491SS..  trans-93-0.7-173.363-10.8000113.2V479 R481D477-V479 VanDerWaalsContact C-N 3.28Å; D477-V479 PolarHBondContact O-N 2.97Å; D477-V479 PolarHBondContact OD1-N 3.14Å; D477-V479 VanDerWaalsContact OD1-N 3.14Å; D477-R481 VanDerWaalsContact CG-NH1 3.34Å; D477-R481 IonicContact OD1-CZ 3.78Å; D477-R481 IonicContact OD1-NH1 3.86Å; D477-R481 PolarHBondContact OD1-NH1 2.88Å; D477-R481 IonicContact OD1-NH2 3.6Å; D477-R481 IonicContact OD2-CZ 3.32Å; D477-R481 IonicContact OD2-NH1 2.7Å; D477-R481 PolarHBondContact OD2-NH1 3.29Å; D477-R481 VanDerWaalsContact OD2-NH1 3.09Å; D477-R481 IonicContact OD2-NH2 2.83Å; D477-R481 PolarHBondContact OD2-NH2 3.17Å
478G91.6Very high92.7Very high21 Ų21100.1 Ų100.122%0.21650%0.496CS..SBendtrans80.70.6-17800000115.1Y458Y458-G478 WeakPolarHBondContact OH-CA 3.17Å
479V92.6Very high92.9Very high77 Ų7797.5 Ų97.547%0.46748%0.483SS..  trans-87.7120.3178-179.10000109.3D477 R481D477-V479 VanDerWaalsContact C-N 3.28Å; D477-V479 PolarHBondContact O-N 2.97Å; D477-V479 PolarHBondContact OD1-N 3.14Å; D477-V479 VanDerWaalsContact OD1-N 3.14Å; V479-R481 HydrophobicContact CG1-CG 4.4Å; V479-R481 PolarHBondContact O-N 3.42Å; V479-R481 PolarHBondContact O-NH1 3.45Å
480D90.9Very high93.2Very high94 Ų9494.6 Ų94.650%0.50346%0.462SS..  trans-69.1122.6172.8-172.99.3000110.3S482D480-S482 WeakPolarHBondContact OD1-CB 3.38Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 PolarHBondContact OD1-OG 3.28Å; D480-S482 PolarHBondContact OD2-OG 3.4Å
481R92.4Very high93.5Very high171 Ų17192.6 Ų92.665%0.64546%0.456SS*.  trans-121.123.1177.6-62.4-179.617981.7-4.5111.4D477 V479D477-R481 VanDerWaalsContact CG-NH1 3.34Å; D477-R481 IonicContact OD1-CZ 3.78Å; D477-R481 IonicContact OD1-NH1 3.86Å; D477-R481 PolarHBondContact OD1-NH1 2.88Å; D477-R481 IonicContact OD1-NH2 3.6Å; D477-R481 IonicContact OD2-CZ 3.32Å; D477-R481 IonicContact OD2-NH1 2.7Å; D477-R481 PolarHBondContact OD2-NH1 3.29Å; D477-R481 VanDerWaalsContact OD2-NH1 3.09Å; D477-R481 IonicContact OD2-NH2 2.83Å; D477-R481 PolarHBondContact OD2-NH2 3.17Å; V479-R481 HydrophobicContact CG1-CG 4.4Å; V479-R481 PolarHBondContact O-N 3.42Å; V479-R481 PolarHBondContact O-NH1 3.45Å
482S92Very high93.8Very high72 Ų7294.4 Ų94.450%0.50346%0.457SS..  trans-76.1161.1-177.774.60000112.4D480 G484D480-S482 WeakPolarHBondContact OD1-CB 3.38Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 PolarHBondContact OD1-OG 3.28Å; D480-S482 PolarHBondContact OD2-OG 3.4Å; S482-G484 PolarHBondContact O-N 3.18Å; S482-G484 PolarHBondContact OG-N 2.94Å
483N94.9Very high94Very high149 Ų14996.7 Ų96.780%0.79747%0.467SS*.  trans-82.512.2167.8-170.114.9000112F485N483-F485 PolarHBondContact O-N 2.97Å; N483-F485 VanDerWaalsContact O-N 3.17Å
484G94Very high94.2Very high15 Ų1597 Ų9716%0.15546%0.464CS..SBendtrans66.212.5-174.600000115.4S482 Q487 K488S482-G484 PolarHBondContact O-N 3.18Å; S482-G484 PolarHBondContact OG-N 2.94Å; G484-Q487 PolarHBondContact O-N 2.99Å; G484-K488 WeakPolarHBondContact O-CG 3.32Å; G484-K488 PolarHBondContact O-N 3.46Å
485F95.5Very high94.5Very high124 Ų12495.8 Ų95.854%0.54447%0.466SS..Hα-helixtrans-61.6-47.8-178.7174.7-94.8000112.6N483 Q487 K488 R489N483-F485 PolarHBondContact O-N 2.97Å; N483-F485 VanDerWaalsContact O-N 3.17Å; F485-Q487 VanDerWaalsContact C-N 3.32Å; F485-Q487 PolarHBondContact O-N 3.4Å; F485-K488 PolarHBondContact O-N 3.13Å; F485-R489 WeakPolarHBondContact O-CB 3.04Å; F485-R489 PolarHBondContact O-N 3.26Å
486E94.6Very high94.7Very high52 Ų5293.5 Ų93.524%0.24346%0.461CS..Hα-helixtrans-60.6-43.1179.9-68.9-61.1146.900111R467 R489 Y490R467-E486 PolarHBondContact N-OE2 3.02Å; E486-R489 WeakPolarHBondContact O-CB 3.4Å; E486-R489 PolarHBondContact O-N 3.18Å; E486-R489 VanDerWaalsContact O-N 3.17Å; E486-Y490 HydrophobicContact CB-CE2 4.46Å; E486-Y490 WeakPolarHBondContact O-CD2 3.41Å; E486-Y490 PolarHBondContact O-N 3.07Å
487Q94Very high94.8Very high144 Ų14496.2 Ų96.267%0.67348%0.475SS*.Hα-helixtrans-60.1-50.2175.9-170.1179.619.300111.9G484 F485 R489 Y490 T491G484-Q487 PolarHBondContact O-N 2.99Å; F485-Q487 VanDerWaalsContact C-N 3.32Å; F485-Q487 PolarHBondContact O-N 3.4Å; Q487-R489 PolarHBondContact O-N 2.85Å; Q487-Y490 PolarHBondContact O-N 2.96Å; Q487-Y490 VanDerWaalsContact O-N 3.14Å; Q487-T491 PolarHBondContact O-N 3.03Å
488K95.6Very high95.1Very high132 Ų13294 Ų9457%0.57447%0.468SS*.Hα-helixtrans-61-30.4176.2-71.9175.8-179.1174.50112.9G484 F485 T491 R492G484-K488 WeakPolarHBondContact O-CG 3.32Å; G484-K488 PolarHBondContact O-N 3.46Å; F485-K488 PolarHBondContact O-N 3.13Å; K488-T491 WeakPolarHBondContact CA-OG1 3.21Å; K488-T491 PolarHBondContact O-OG1 3.5Å; K488-R492 WeakPolarHBondContact O-CB 3.46Å; K488-R492 PolarHBondContact O-N 3Å; K488-R492 VanDerWaalsContact O-N 3.14Å
489R95.2Very high95.4Very high68 Ų6898.2 Ų98.226%0.25749%0.486SS..Hα-helixtrans-69.6-44.6175.5-178-178.1177-82.2-6.5110.6F485 E486 Q487 R492 I493F485-R489 WeakPolarHBondContact O-CB 3.04Å; F485-R489 PolarHBondContact O-N 3.26Å; E486-R489 WeakPolarHBondContact O-CB 3.4Å; E486-R489 PolarHBondContact O-N 3.18Å; E486-R489 VanDerWaalsContact O-N 3.17Å; Q487-R489 PolarHBondContact O-N 2.85Å; R489-R492 PolarHBondContact O-N 3.37Å; R489-I493 HydrophobicContact CG-CD1 4.01Å; R489-I493 VanDerWaalsContact NH1-CD1 3.35Å; R489-I493 VanDerWaalsContact O-CG1 3.32Å; R489-I493 WeakPolarHBondContact O-CG1 3.29Å; R489-I493 PolarHBondContact O-N 2.91Å
490Y95.5Very high95.6Very high76 Ų76100.9 Ų100.930%0.29849%0.493SS..Hα-helixtrans-63.3-42.4177-73.8-63.1000112.4P465 N466 R467 E486 Q487 R492 I493 A494P465-Y490 HydrophobicContact CB-CE2 4.19Å; P465-Y490 HydrophobicContact CG-CE2 4.19Å; N466-Y490 PolarHBondContact O-OH 2.86Å; N466-Y490 VanDerWaalsContact O-OH 3.1Å; R467-Y490 PolarHBondContact N-OH 3.23Å; R467-Y490 VanDerWaalsContact N-OH 3.1Å; E486-Y490 HydrophobicContact CB-CE2 4.46Å; E486-Y490 WeakPolarHBondContact O-CD2 3.41Å; E486-Y490 PolarHBondContact O-N 3.07Å; Q487-Y490 PolarHBondContact O-N 2.96Å; Q487-Y490 VanDerWaalsContact O-N 3.14Å; Y490-R492 PolarHBondContact O-N 3.46Å; Y490-I493 PolarHBondContact O-N 2.94Å; Y490-A494 PolarHBondContact O-N 3.05Å
491T96Very high95.9Very high74 Ų74100.9 Ų100.945%0.45449%0.49SS..Hα-helixtrans-59.7-48.6174.860.80000110.5Q487 K488 I493 A494 D495Q487-T491 PolarHBondContact O-N 3.03Å; K488-T491 WeakPolarHBondContact CA-OG1 3.21Å; K488-T491 PolarHBondContact O-OG1 3.5Å; T491-I493 VanDerWaalsContact C-N 3.28Å; T491-I493 PolarHBondContact O-N 3.25Å; T491-A494 WeakPolarHBondContact O-CB 3.47Å; T491-A494 PolarHBondContact O-N 3.05Å; T491-A494 VanDerWaalsContact O-N 3.07Å; T491-D495 WeakPolarHBondContact O-CB 3.4Å; T491-D495 PolarHBondContact O-N 3.19Å
492R96.6Very high96.2Very high154 Ų15497.5 Ų97.558%0.58148%0.482SS*.Hα-helixtrans-58.8-37177.9-169.7-173-62.3129.1-0.5113.2K488 R489 Y490 K496K488-R492 WeakPolarHBondContact O-CB 3.46Å; K488-R492 PolarHBondContact O-N 3Å; K488-R492 VanDerWaalsContact O-N 3.14Å; R489-R492 PolarHBondContact O-N 3.37Å; Y490-R492 PolarHBondContact O-N 3.46Å; R492-K496 VanDerWaalsContact O-CB 3.29Å; R492-K496 WeakPolarHBondContact O-CB 3.47Å; R492-K496 PolarHBondContact O-N 3.14Å
493I96.5Very high96.4Very high80 Ų8096.9 Ų96.941%0.4148%0.481SS..Hα-helixtrans-69.1-42.9176.9-70.9167.3000110.7R489 Y490 T491 K496 K497R489-I493 HydrophobicContact CG-CD1 4.01Å; R489-I493 VanDerWaalsContact NH1-CD1 3.35Å; R489-I493 VanDerWaalsContact O-CG1 3.32Å; R489-I493 WeakPolarHBondContact O-CG1 3.29Å; R489-I493 PolarHBondContact O-N 2.91Å; Y490-I493 PolarHBondContact O-N 2.94Å; T491-I493 VanDerWaalsContact C-N 3.28Å; T491-I493 PolarHBondContact O-N 3.25Å; I493-K496 PolarHBondContact O-N 3.27Å; I493-K497 WeakPolarHBondContact O-CB 3.47Å; I493-K497 PolarHBondContact O-N 2.98Å
494A97.4Very high96.5Very high57 Ų5797.3 Ų97.347%0.47147%0.472SS..Hα-helixtrans-62.2-46.4175.500000111Y490 T491 K496 K497 A498Y490-A494 PolarHBondContact O-N 3.05Å; T491-A494 WeakPolarHBondContact O-CB 3.47Å; T491-A494 PolarHBondContact O-N 3.05Å; T491-A494 VanDerWaalsContact O-N 3.07Å; A494-K496 PolarHBondContact O-N 2.91Å; A494-K497 PolarHBondContact O-N 3.37Å; A494-A498 WeakPolarHBondContact O-CB 3.5Å; A494-A498 PolarHBondContact O-N 2.87Å
495D97.8Very high96.6Very high95 Ų95103.2 Ų103.251%0.50849%0.494SS..Hα-helixtrans-60.7-45.5177.6-59.2-24.5000111T491 K497 A498 L499T491-D495 WeakPolarHBondContact O-CB 3.4Å; T491-D495 PolarHBondContact O-N 3.19Å; D495-K497 VanDerWaalsContact C-N 3.31Å; D495-K497 PolarHBondContact O-N 3.22Å; D495-A498 PolarHBondContact O-N 3.02Å; D495-L499 WeakPolarHBondContact O-CB 3.38Å; D495-L499 WeakPolarHBondContact O-CG 3.42Å; D495-L499 PolarHBondContact O-N 2.91Å
496K97.9Very high96.7Very high152 Ų152106.5 Ų106.566%0.66150%0.503SS*.Hα-helixtrans-60.2-42176.4-176179.3179.4-178.50111.6R492 I493 A494 Q500R492-K496 VanDerWaalsContact O-CB 3.29Å; R492-K496 WeakPolarHBondContact O-CB 3.47Å; R492-K496 PolarHBondContact O-N 3.14Å; I493-K496 PolarHBondContact O-N 3.27Å; A494-K496 PolarHBondContact O-N 2.91Å; K496-Q500 WeakPolarHBondContact O-CB 3.46Å; K496-Q500 PolarHBondContact O-N 3.3Å
497K98.1Very high96.7Very high126 Ų126107.8 Ų107.855%0.54852%0.518SS..Hα-helixtrans-67.3-42.8178.3-173.1178.4175.9-175.20111.3I493 A494 D495 Q500 E501I493-K497 WeakPolarHBondContact O-CB 3.47Å; I493-K497 PolarHBondContact O-N 2.98Å; A494-K497 PolarHBondContact O-N 3.37Å; D495-K497 VanDerWaalsContact C-N 3.31Å; D495-K497 PolarHBondContact O-N 3.22Å; K497-Q500 PolarHBondContact O-N 2.81Å; K497-E501 WeakPolarHBondContact CE-OE1 3.39Å; K497-E501 WeakPolarHBondContact O-CG 3.48Å; K497-E501 PolarHBondContact O-N 3.36Å
498A97.9Very high96.8Very high40 Ų40103.4 Ų103.433%0.33150%0.5SS..Hα-helixtrans-59.6-47.5175.700000111.4A494 D495 Q500 E501 E502A494-A498 WeakPolarHBondContact O-CB 3.5Å; A494-A498 PolarHBondContact O-N 2.87Å; D495-A498 PolarHBondContact O-N 3.02Å; A498-Q500 VanDerWaalsContact C-N 3.3Å; A498-Q500 PolarHBondContact O-N 3.48Å; A498-E501 PolarHBondContact O-N 3.24Å; A498-E502 WeakPolarHBondContact O-CG 3.28Å; A498-E502 PolarHBondContact O-N 3.49Å
499L97.8Very high96.7Very high110 Ų110103.7 Ų103.758%0.57650%0.504SS*.Hα-helixtrans-61.7-36.5175.9-72173.2000112.8D495 A503D495-L499 WeakPolarHBondContact O-CB 3.38Å; D495-L499 WeakPolarHBondContact O-CG 3.42Å; D495-L499 PolarHBondContact O-N 2.91Å; L499-A503 WeakPolarHBondContact O-CB 3.34Å; L499-A503 PolarHBondContact O-N 3.1Å
500Q97.6Very high96.3Very high134 Ų134108.7 Ų108.763%0.62654%0.536SS*.Hα-helixtrans-66.8-41.3176-175.7179.30.900111.7K496 K497 A498 Y504K496-Q500 WeakPolarHBondContact O-CB 3.46Å; K496-Q500 PolarHBondContact O-N 3.3Å; K497-Q500 PolarHBondContact O-N 2.81Å; A498-Q500 VanDerWaalsContact C-N 3.3Å; A498-Q500 PolarHBondContact O-N 3.48Å; Q500-Y504 WeakPolarHBondContact O-CB 3.34Å; Q500-Y504 PolarHBondContact O-N 3.43Å
501E97.5Very high95.3Very high93 Ų93114.8 Ų114.844%0.43557%0.569SS.*Hα-helixtrans-67.9-40.4176.5-72.1177.3-167.200111.9K497 A498 K505K497-E501 WeakPolarHBondContact CE-OE1 3.39Å; K497-E501 WeakPolarHBondContact O-CG 3.48Å; K497-E501 PolarHBondContact O-N 3.36Å; A498-E501 PolarHBondContact O-N 3.24Å; E501-K505 VanDerWaalsContact O-CG 3.28Å; E501-K505 WeakPolarHBondContact O-CG 3.47Å; E501-K505 PolarHBondContact O-N 3.34Å
502E97Very high95.3Very high101 Ų101116.9 Ų116.947%0.47258%0.575SS.*Hα-helixtrans-61.3-54.7171.5-72.7174.2-17600110A498 Y504 K505 W506A498-E502 WeakPolarHBondContact O-CG 3.28Å; A498-E502 PolarHBondContact O-N 3.49Å; E502-Y504 PolarHBondContact O-N 3.42Å; E502-K505 WeakPolarHBondContact O-CB 3.45Å; E502-K505 PolarHBondContact O-N 3.28Å; E502-W506 PolarHBondContact O-N 3.5Å
503A96.5Very high95.2Very high59 Ų59114.9 Ų114.949%0.48858%0.575SS.*Hα-helixtrans-54.8-40.2178.900000112.4L499 W506 S507L499-A503 WeakPolarHBondContact O-CB 3.34Å; L499-A503 PolarHBondContact O-N 3.1Å; A503-W506 PolarHBondContact O-N 2.87Å; A503-S507 VanDerWaalsContact O-CB 3.29Å; A503-S507 WeakPolarHBondContact O-CB 3.29Å; A503-S507 PolarHBondContact O-N 2.99Å; A503-S507 PolarHBondContact O-OG 2.81Å
504Y97Very high95.2Very high157 Ų157116.8 Ų116.862%0.61658%0.584SS**Hα-helixtrans-61.7-49.7174.2178.2-105.2000111.9Q500 E502 W506 S507 V508Q500-Y504 WeakPolarHBondContact O-CB 3.34Å; Q500-Y504 PolarHBondContact O-N 3.43Å; E502-Y504 PolarHBondContact O-N 3.42Å; Y504-W506 VanDerWaalsContact C-N 3.35Å; Y504-W506 PolarHBondContact O-N 2.73Å; Y504-S507 WeakPolarHBondContact CA-OG 3.46Å; Y504-S507 PolarHBondContact O-N 3.19Å; Y504-S507 VanDerWaalsContact O-N 3.15Å; Y504-S507 PolarHBondContact O-OG 3.42Å; Y504-V508 HydrophobicContact CD2-CG2 4.15Å; Y504-V508 HydrophobicContact CE1-CG2 4.32Å; Y504-V508 HydrophobicContact CE2-CG2 3.75Å; Y504-V508 WeakPolarHBondContact O-CG2 3.16Å; Y504-V508 PolarHBondContact O-N 3.42Å; Y504-V508 VanDerWaalsContact O-N 3.1Å
505K97.2Very high95Very high139 Ų139120.4 Ų120.460%0.60459%0.591SS**Hα-helixtrans-58.1-45.5177-70.6168.7-174.8173.10112.2E501 E502 S507 V508 E509E501-K505 VanDerWaalsContact O-CG 3.28Å; E501-K505 WeakPolarHBondContact O-CG 3.47Å; E501-K505 PolarHBondContact O-N 3.34Å; E502-K505 WeakPolarHBondContact O-CB 3.45Å; E502-K505 PolarHBondContact O-N 3.28Å; K505-S507 VanDerWaalsContact C-N 3.33Å; K505-S507 PolarHBondContact O-N 3.15Å; K505-V508 PolarHBondContact O-N 2.86Å; K505-E509 PolarHBondContact O-N 3.42Å
506W96.3Very high94.9Very high194 Ų194121.9 Ų121.974%0.73560%0.596SS**Hα-helixtrans-63.1-38.5176-81.281.7000112E502 A503 Y504 V508 E509E502-W506 PolarHBondContact O-N 3.5Å; A503-W506 PolarHBondContact O-N 2.87Å; Y504-W506 VanDerWaalsContact C-N 3.35Å; Y504-W506 PolarHBondContact O-N 2.73Å; W506-V508 VanDerWaalsContact C-N 3.29Å; W506-V508 PolarHBondContact O-N 3.11Å; W506-E509 PolarHBondContact O-N 3.48Å
507S96.1Very high94.7Very high79 Ų79119.9 Ų119.955%0.55259%0.591SS**Hα-helixtrans-70.8-23.8179.970.10000114.1A503 Y504 K505A503-S507 VanDerWaalsContact O-CB 3.29Å; A503-S507 WeakPolarHBondContact O-CB 3.29Å; A503-S507 PolarHBondContact O-N 2.99Å; A503-S507 PolarHBondContact O-OG 2.81Å; Y504-S507 WeakPolarHBondContact CA-OG 3.46Å; Y504-S507 PolarHBondContact O-N 3.19Å; Y504-S507 VanDerWaalsContact O-N 3.15Å; Y504-S507 PolarHBondContact O-OG 3.42Å; K505-S507 VanDerWaalsContact C-N 3.33Å; K505-S507 PolarHBondContact O-N 3.15Å
508V96.5Very high94.4Very high51 Ų51119.5 Ų119.531%0.30959%0.594SS.*Hα-helixtrans-98.4-4.1-177.9178.60000111.8Y504 K505 W506 D510 M511Y504-V508 HydrophobicContact CD2-CG2 4.15Å; Y504-V508 HydrophobicContact CE1-CG2 4.32Å; Y504-V508 HydrophobicContact CE2-CG2 3.75Å; Y504-V508 WeakPolarHBondContact O-CG2 3.16Å; Y504-V508 PolarHBondContact O-N 3.42Å; Y504-V508 VanDerWaalsContact O-N 3.1Å; K505-V508 PolarHBondContact O-N 2.86Å; W506-V508 VanDerWaalsContact C-N 3.29Å; W506-V508 PolarHBondContact O-N 3.11Å; V508-D510 VanDerWaalsContact C-N 3.34Å; V508-D510 PolarHBondContact O-N 3.49Å; V508-M511 PolarHBondContact O-N 3.49Å
509E92.3Very high94.1Very high139 Ų139125.6 Ų125.665%0.6562%0.615SS**THydrogen-bonded Turntrans-66.8-30.8-172.9-169.4165.6-172.200114.1K505 W506K505-E509 PolarHBondContact O-N 3.42Å; W506-E509 PolarHBondContact O-N 3.48Å
510D87.9Confident93.8Very high173 Ų173126.9 Ų126.993%0.92562%0.618SS**THydrogen-bonded Turntrans-106.87.7-179.4-92.7-15.3000113.9V508V508-D510 VanDerWaalsContact C-N 3.34Å; V508-D510 PolarHBondContact O-N 3.49Å
511M74.3Confident93.5Very high204 Ų204126.3 Ų126.3100%1.00562%0.617SS**  trans-97.30169.8-83.7-151.8-63.500111V508V508-M511 PolarHBondContact O-N 3.49Å

Retrieved 511 of 511 residues in 787.6 ms (Link to these results)