A0A096MB46_POEFO Loading...

Polymerase delta-interacting protein 3-like

AlphaFold DB , UniProt , Accession A0A096MB46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 488 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
1M44.1Very low67.7Low233 Ų233114.7 Ų114.7100%1.14862%0.621SS**  0150.90-70.6138.474.100107.3
2A54.4Low67.9Low94 Ų94119.8 Ų119.878%0.77763%0.625SS**  trans-96124.7-179.700000110V4A2-V4 PolarHBondContact O-N 3.41Å
3D63.3Low67.7Low162 Ų162127.9 Ų127.987%0.86664%0.642SS**  trans-74114.6-176.9-62.7-51.5000110.9S5D3-S5 PolarHBondContact O-N 3.28Å
4V77.3Confident67.1Low97 Ų97122.4 Ų122.459%0.58863%0.633SS**  trans-74.2119.8177.5-1800000108.4A2 E8 V9A2-V4 PolarHBondContact O-N 3.41Å; V4-E8 HydrophobicContact CG1-CB 3.76Å; V4-E8 HydrophobicContact CG1-CG 3.69Å; V4-V9 HydrophobicContact CG1-CG2 4.04Å
5S76.1Confident66.6Low64 Ų64123.2 Ų123.245%0.44864%0.637SS.*  trans-62151.4-176.679.80000112.4D3 D7 E8 V9D3-S5 PolarHBondContact O-N 3.28Å; S5-D7 PolarHBondContact O-N 3.25Å; S5-E8 WeakPolarHBondContact O-CB 3.42Å; S5-E8 PolarHBondContact O-N 2.97Å; S5-V9 PolarHBondContact O-N 2.75Å
6L68.5Low65.9Low128 Ų128125.6 Ų125.667%0.6765%0.651SS**Hα-helixtrans-56.8-35.9-178.4-168.267.2000111.8E8 V9 I10L6-E8 PolarHBondContact O-N 2.77Å; L6-V9 PolarHBondContact O-N 3.27Å; L6-I10 HydrophobicContact CD2-CD1 4.49Å; L6-I10 HydrophobicContact CG-CD1 4Å; L6-I10 VanDerWaalsContact O-CG1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 3.24Å
7D65.4Low65.1Low110 Ų110128.6 Ų128.659%0.58866%0.661SS**Hα-helixtrans-65.1-34.8177.4-53.4-65.6000113.2S5 R11S5-D7 PolarHBondContact O-N 3.25Å; D7-R11 VanDerWaalsContact O-CB 3.31Å; D7-R11 WeakPolarHBondContact O-CB 3.48Å; D7-R11 PolarHBondContact O-N 3.18Å
8E76.9Confident64.2Low45 Ų45131.8 Ų131.821%0.2167%0.67CS.*Hα-helixtrans-68.8-40.4175.3-17464.6-153.100110.8V4 S5 L6 R11 R12V4-E8 HydrophobicContact CG1-CB 3.76Å; V4-E8 HydrophobicContact CG1-CG 3.69Å; S5-E8 WeakPolarHBondContact O-CB 3.42Å; S5-E8 PolarHBondContact O-N 2.97Å; L6-E8 PolarHBondContact O-N 2.77Å; E8-R11 PolarHBondContact O-N 3.03Å; E8-R11 IonicContact OE1-NH1 2.72Å; E8-R11 IonicContact OE2-CZ 3.77Å; E8-R11 IonicContact OE2-NH1 2.85Å; E8-R11 PolarHBondContact OE2-NH1 3.2Å; E8-R11 IonicContact OE2-NH2 3.13Å; E8-R11 PolarHBondContact OE2-NH2 3.24Å; E8-R12 WeakPolarHBondContact O-CB 3.39Å; E8-R12 VanDerWaalsContact O-CG 3.31Å; E8-R12 WeakPolarHBondContact O-CG 3.31Å; E8-R12 PolarHBondContact O-N 3.45Å; E8-R12 IonicContact OE1-CZ 3.2Å; E8-R12 IonicContact OE1-NE 2.77Å; E8-R12 PolarHBondContact OE1-NE 3.1Å; E8-R12 IonicContact OE1-NH2 2.75Å; E8-R12 PolarHBondContact OE1-NH2 3.42Å
9V75.8Confident63.7Low69 Ų69130.8 Ų130.842%0.41867%0.673SS.*Hα-helixtrans-64.5-45.6174.5178.70000111V4 S5 L6 R12 R13V4-V9 HydrophobicContact CG1-CG2 4.04Å; S5-V9 PolarHBondContact O-N 2.75Å; L6-V9 PolarHBondContact O-N 3.27Å; V9-R12 PolarHBondContact O-N 3.12Å; V9-R13 WeakPolarHBondContact O-CB 3.27Å; V9-R13 PolarHBondContact O-N 3.35Å
10I70.6Confident63.6Low104 Ų104129.9 Ų129.953%0.53368%0.676SS.*Hα-helixtrans-60.6-46176.7-70.1164.4000110.5L6 R12 R13 G14L6-I10 HydrophobicContact CD2-CD1 4.49Å; L6-I10 HydrophobicContact CG-CD1 4Å; L6-I10 VanDerWaalsContact O-CG1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 3.24Å; I10-R12 VanDerWaalsContact C-N 3.34Å; I10-R12 PolarHBondContact O-N 3.01Å; I10-R13 PolarHBondContact O-N 2.95Å; I10-G14 PolarHBondContact O-N 2.85Å; I10-G14 VanDerWaalsContact O-N 3.1Å
11R72.4Confident63Low156 Ų156129.5 Ų129.559%0.58968%0.682SS**Hα-helixtrans-62.6-39.1179.4-151.6-174.2-40.6118.120.1112.3D7 E8D7-R11 VanDerWaalsContact O-CB 3.31Å; D7-R11 WeakPolarHBondContact O-CB 3.48Å; D7-R11 PolarHBondContact O-N 3.18Å; E8-R11 PolarHBondContact O-N 3.03Å; E8-R11 IonicContact OE1-NH1 2.72Å; E8-R11 IonicContact OE2-CZ 3.77Å; E8-R11 IonicContact OE2-NH1 2.85Å; E8-R11 PolarHBondContact OE2-NH1 3.2Å; E8-R11 IonicContact OE2-NH2 3.13Å; E8-R11 PolarHBondContact OE2-NH2 3.24Å
12R69.9Low62.9Low176 Ų176128.5 Ų128.566%0.66467%0.671SS**Hα-helixtrans-72.9-30.3176.7-70.7176.9-170.9-142.31.2113.5E8 V9 I10E8-R12 WeakPolarHBondContact O-CB 3.39Å; E8-R12 VanDerWaalsContact O-CG 3.31Å; E8-R12 WeakPolarHBondContact O-CG 3.31Å; E8-R12 PolarHBondContact O-N 3.45Å; E8-R12 IonicContact OE1-CZ 3.2Å; E8-R12 IonicContact OE1-NE 2.77Å; E8-R12 PolarHBondContact OE1-NE 3.1Å; E8-R12 IonicContact OE1-NH2 2.75Å; E8-R12 PolarHBondContact OE1-NH2 3.42Å; V9-R12 PolarHBondContact O-N 3.12Å; I10-R12 VanDerWaalsContact C-N 3.34Å; I10-R12 PolarHBondContact O-N 3.01Å
13R65.8Low62.7Low225 Ų225134.8 Ų134.885%0.84967%0.674SS**Hα-helixtrans-85.1-14.3179.7-151.4173.1-167.7178.94.1113.8V9 I10 I15V9-R13 WeakPolarHBondContact O-CB 3.27Å; V9-R13 PolarHBondContact O-N 3.35Å; I10-R13 PolarHBondContact O-N 2.95Å; R13-I15 PolarHBondContact O-N 2.66Å; R13-I15 VanDerWaalsContact O-N 3.12Å
14G58.4Low61.4Low50 Ų50132.7 Ų132.752%0.51567%0.669SS.*  trans-73.29.4-175.900000117.4I10 N16I10-G14 PolarHBondContact O-N 2.85Å; I10-G14 VanDerWaalsContact O-N 3.1Å; G14-N16 PolarHBondContact O-N 2.9Å
15I59.8Low59.7Low135 Ų135134.3 Ų134.369%0.69268%0.679SS**THydrogen-bonded Turntrans-96.664-166.8-39.3178.6000112.6R13R13-I15 PolarHBondContact O-N 2.66Å; R13-I15 VanDerWaalsContact O-N 3.12Å
16N56.2Low58Low161 Ų161141 Ų14186%0.86170%0.701SS**THydrogen-bonded Turntrans-151.734.2157.9-125.4-94.4000113.8G14 K18G14-N16 PolarHBondContact O-N 2.9Å; N16-K18 PolarHBondContact O-N 3.46Å
17Q51.1Low56.6Low177 Ų177138 Ų13883%0.82770%0.702SS**  trans-75.4106.9171.9-76.8-66-7.900111
18K49.1Very low55.7Low186 Ų186143.7 Ų143.781%0.80972%0.715SS**PPolyproline II helixtrans-57.2132.2174.7-161.1170.6-172.2170.40109.7N16N16-K18 PolarHBondContact O-N 3.46Å
19P55.4Low53.9Low114 Ų114149.6 Ų149.674%0.7475%0.747SS**PPolyproline II helixtrans-65.6139.3-170.725.1-34.4000112.1
20P62.4Low52.1Low111 Ų111149.3 Ų149.372%0.72176%0.758SS**PPolyproline II helixtrans-68.8151.1178.528.8-35.1000111.6K22P20-K22 PolarHBondContact O-N 3.28Å
21P50Low50.9Low123 Ų123150.9 Ų150.980%0.79978%0.778SS**PPolyproline II helixtrans-63.3125.5179.125.5-33.6000111R23P21-R23 PolarHBondContact O-N 3.32Å
22K42.8Very low49.5Very low212 Ų212146.6 Ų146.692%0.92278%0.782SS**  trans-60.2107.7-177.2-64.1179.7-178.8178.70111.1P20P20-K22 PolarHBondContact O-N 3.28Å
23R48.8Very low48.1Very low225 Ų225145.3 Ų145.385%0.84979%0.788SS**  trans-79.3135.6158.7-70.8-176.7174.4-178.3-1.5108.7P21 V25P21-R23 PolarHBondContact O-N 3.32Å; R23-V25 PolarHBondContact O-N 3.01Å; R23-V25 VanDerWaalsContact O-N 3.16Å
24P37Very low47.4Very low118 Ų118138.8 Ų138.877%0.76679%0.792SS**  trans-70.6110.3177.428-33.2000110.4F26P24-F26 PolarHBondContact O-N 3.33Å
25V41.9Very low47.4Very low131 Ų131145.1 Ų145.179%0.79481%0.805SS**  trans-86.7101.7172.7178.10000108.7R23 G27R23-V25 PolarHBondContact O-N 3.01Å; R23-V25 VanDerWaalsContact O-N 3.16Å; V25-G27 PolarHBondContact O-N 3.06Å
26F39.1Very low46.9Very low204 Ų204147 Ų14790%0.89582%0.816SS**  trans-78.2108.7171.2-104.1-89.4000110.8P24P24-F26 PolarHBondContact O-N 3.33Å
27G39.6Very low47Very low67 Ų67147.6 Ų147.669%0.69181%0.812SS**  trans59.485.6153.400000118.2V25V25-G27 PolarHBondContact O-N 3.06Å
28R45.8Very low47.8Very low229 Ų229143.3 Ų143.386%0.86480%0.795SS**  trans-11170.3159-164.5-171.5-170.9-892.3111.9
29L40.3Very low48.1Very low169 Ų169137 Ų13789%0.88578%0.777SS**  trans-81.9152.9139.2-72.276.9000106.1
30G37.8Very low48.2Very low63 Ų63141.5 Ų141.565%0.64978%0.779SS**  cis166.9147.42.700000105.9
31S46.5Very low48Very low137 Ų137144 Ų14496%0.95878%0.781SS**  trans-68.2134.4-175.9-57.70000111.4
32G41Very low48.3Very low66 Ų66145.9 Ų145.968%0.6878%0.777SS**  trans17496.3177.900000113.4
33D42.3Very low48.9Very low148 Ų148141.8 Ų141.879%0.79176%0.764SS**  trans51133.2157.5-51.2-37.7000121.9K35D33-K35 PolarHBondContact O-N 3.48Å
34G51.2Low49.1Very low89 Ų89132.7 Ų132.792%0.91874%0.74SS**  trans-72.492.6179.400000113.7
35K57.1Low50.1Low183 Ų183134.2 Ų134.280%0.79674%0.741SS**  trans-121.9138.8164.3-67.8172.5-177.4167.10108.8D33 F37D33-K35 PolarHBondContact O-N 3.48Å; K35-F37 PolarHBondContact O-N 3.16Å
36N50.4Low50.8Low174 Ų174135.2 Ų135.293%0.9374%0.742SS**  trans-55128-165.4-80.5-40.6000113.5D38N36-D38 PolarHBondContact O-N 3.34Å
37F56.8Low51.5Low174 Ų174128.8 Ų128.876%0.76372%0.717SS**  trans-77.983.4179.9-175.4-94.9000110.9K35 A39K35-F37 PolarHBondContact O-N 3.16Å; F37-A39 PolarHBondContact O-N 3.33Å
38D68.3Low52.1Low87 Ų87129.2 Ų129.247%0.46571%0.714SS.*  trans-77.2106.8171.7-177.813.3000111.3N36 R40 Q41N36-D38 PolarHBondContact O-N 3.34Å; D38-R40 PolarHBondContact O-N 2.8Å; D38-R40 VanDerWaalsContact OD1-CB 3.29Å; D38-R40 WeakPolarHBondContact OD1-CB 3.45Å; D38-R40 WeakPolarHBondContact OD1-CG 3.18Å; D38-R40 PolarHBondContact OD1-N 2.73Å; D38-Q41 PolarHBondContact O-N 3.43Å
39A56.3Low52.6Low53 Ų53128.6 Ų128.644%0.43871%0.711SS.*Hα-helixtrans-61-23.517600000113.5F37 I43F37-A39 PolarHBondContact O-N 3.33Å; A39-I43 WeakPolarHBondContact O-CG1 3.27Å
40R56.8Low53.2Low208 Ų208126.8 Ų126.879%0.78570%0.699SS**Hα-helixtrans-65-42.5177-66.3172.7157.7-105.2-2.3111.6D38 K42 I43 G44D38-R40 PolarHBondContact O-N 2.8Å; D38-R40 VanDerWaalsContact OD1-CB 3.29Å; D38-R40 WeakPolarHBondContact OD1-CB 3.45Å; D38-R40 WeakPolarHBondContact OD1-CG 3.18Å; D38-R40 PolarHBondContact OD1-N 2.73Å; R40-K42 PolarHBondContact O-N 2.82Å; R40-I43 PolarHBondContact O-N 2.81Å; R40-G44 PolarHBondContact O-N 2.93Å
41Q58.3Low54Low165 Ų165134.2 Ų134.277%0.77171%0.707SS**Hα-helixtrans-63.5-31.9-174-155.4179.642.500112.3D38D38-Q41 PolarHBondContact O-N 3.43Å
42K56.5Low54.3Low162 Ų162135.9 Ų135.970%0.70470%0.704SS**Hα-helixtrans-83.8-13.6-178.7-150.6166.8-172.6172.90114.5R40R40-K42 PolarHBondContact O-N 2.82Å
43I55.8Low54.8Low126 Ų126136 Ų13665%0.64671%0.706SS**Hα-helixtrans-90.8-29178.2-65.1170.9000111.5A39 R40 L45 N46A39-I43 WeakPolarHBondContact O-CG1 3.27Å; R40-I43 PolarHBondContact O-N 2.81Å; I43-L45 PolarHBondContact O-N 2.78Å; I43-L45 VanDerWaalsContact O-N 3.15Å; I43-N46 PolarHBondContact O-N 2.77Å
44G53.6Low55.5Low34 Ų34132.9 Ų132.935%0.35171%0.709SS.*G310 helixtrans-59.6-26.5-177.700000115.4R40 N46 D47R40-G44 PolarHBondContact O-N 2.93Å; G44-N46 PolarHBondContact O-N 3Å; G44-D47 PolarHBondContact O-N 3.43Å
45L57.9Low54.9Low150 Ų150132.7 Ų132.779%0.78571%0.706SS**G310 helixtrans-71.1-6.9-177.5-66.8173.1000114.9I43I43-L45 PolarHBondContact O-N 2.78Å; I43-L45 VanDerWaalsContact O-N 3.15Å
46N55.4Low54Low152 Ų152127.8 Ų127.881%0.81371%0.708SS**G310 helixtrans-134.422.9174.3-97.5-75.9000113.1I43 G44 A48I43-N46 PolarHBondContact O-N 2.77Å; G44-N46 PolarHBondContact O-N 3Å; N46-A48 PolarHBondContact O-N 2.9Å; N46-A48 VanDerWaalsContact O-N 3.15Å
47D54.7Low53.5Low68 Ų68124.9 Ų124.936%0.36471%0.708SS.*  trans-71.9108172.6-176.69.6000111G44 R49 Q50G44-D47 PolarHBondContact O-N 3.43Å; D47-R49 PolarHBondContact O-N 2.85Å; D47-R49 WeakPolarHBondContact OD1-CB 3.48Å; D47-R49 PolarHBondContact OD1-N 3.35Å; D47-R49 WeakPolarHBondContact OD2-CB 3.49Å; D47-Q50 PolarHBondContact O-N 3.32Å
48A51.8Low52.6Low77 Ų77120.1 Ų120.164%0.63671%0.708SS**THydrogen-bonded Turntrans-56.9-21.9175.200000113N46 Q50 R51N46-A48 PolarHBondContact O-N 2.9Å; N46-A48 VanDerWaalsContact O-N 3.15Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.33Å; A48-R51 PolarHBondContact O-N 3.43Å
49R55.2Low51.1Low215 Ų215123.3 Ų123.381%0.81173%0.73SS**THydrogen-bonded Turntrans-69.9-24.9-179.9-160.2173-176.2-890.2113.7D47D47-R49 PolarHBondContact O-N 2.85Å; D47-R49 WeakPolarHBondContact OD1-CB 3.48Å; D47-R49 PolarHBondContact OD1-N 3.35Å; D47-R49 WeakPolarHBondContact OD2-CB 3.49Å
50Q54.2Low50.3Low132 Ų132124.5 Ų124.562%0.61775%0.747SS**THydrogen-bonded Turntrans-81.6-25.8173.9-63.9-168.526.800112.6D47 A48 L52 G53D47-Q50 PolarHBondContact O-N 3.32Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.33Å; Q50-L52 PolarHBondContact O-N 3.48Å; Q50-G53 PolarHBondContact O-N 2.88Å
51R53.8Low49.3Very low219 Ų219118.5 Ų118.583%0.82675%0.75SS**THydrogen-bonded Turntrans-70.6-0-175.2-58.6-169.370.3-163.20.5114.9A48A48-R51 PolarHBondContact O-N 3.43Å
52L52.8Low48.4Very low171 Ų171114.1 Ų114.190%0.89575%0.749SS**THydrogen-bonded Turntrans-116.312.5176.8-146.978.9000113.4Q50Q50-L52 PolarHBondContact O-N 3.48Å
53G51Low47.9Very low69 Ų69112.9 Ų112.971%0.71176%0.755SS**SBendtrans-16665.9-176.300000114.2Q50Q50-G53 PolarHBondContact O-N 2.88Å
54G57.4Low47.2Very low83 Ų83112.8 Ų112.886%0.85676%0.761SS**  trans179.380.7178.200000114.5
55G39.2Very low46.6Very low84 Ų84114.6 Ų114.687%0.86678%0.779SS**  trans147.6133174.200000111.9
56G37.5Very low45.7Very low80 Ų80116.6 Ų116.683%0.82578%0.782SS**  cis-150.4169.5-5.900000110.2
57A39.7Very low45.4Very low114 Ų114117 Ų11794%0.94278%0.779SS**  trans-80.8148.3-169.400000114.3
58G37.5Very low45.4Very low74 Ų74120.8 Ų120.876%0.76380%0.804SS**  trans104.287.5148.500000118.1
59V38.5Very low45.9Very low154 Ų154122 Ų12293%0.93380%0.795SS**  -152.3151.2116.8163.20000106.5
60G38.2Very low46.2Very low77 Ų77117.6 Ų117.679%0.79479%0.787SS**  trans-75.2155.8-161.800000117.3
61G37.1Very low46.4Very low82 Ų82115.3 Ų115.385%0.84579%0.791SS**  trans130.1117.3156.500000116.5
62G39.2Very low46.7Very low73 Ų73115.2 Ų115.275%0.75379%0.791SS**  trans82.992.2145.400000119.6
63V45.9Very low46.9Very low137 Ų137110.3 Ų110.383%0.8376%0.763SS**  trans28.1108.1137.3-168.10000118.7
64T40.3Very low47.4Very low123 Ų123113.3 Ų113.376%0.75576%0.757SS**  -177.6125.9119.922.70000111.7
65G41Very low47.3Very low72 Ų72115.9 Ų115.974%0.74275%0.75SS**  trans-85.3113.1174.700000112.1Q67G65-Q67 VanDerWaalsContact C-N 3.34Å; G65-Q67 PolarHBondContact O-N 2.99Å
66F39.7Very low48.1Very low193 Ų193117.6 Ų117.685%0.84674%0.743SS**  trans-71.185.9172.3-95.7-95.5000111.3V68F66-V68 PolarHBondContact O-N 3.44Å
67Q49.6Very low48.9Very low161 Ų161119.6 Ų119.675%0.75273%0.731SS**  trans-63.9118.2170.2-65.4-175.810.400110G65 K69G65-Q67 VanDerWaalsContact C-N 3.34Å; G65-Q67 PolarHBondContact O-N 2.99Å; Q67-K69 PolarHBondContact O-N 3.09Å
68V54.4Low49.8Very low146 Ų146122.6 Ų122.689%0.88572%0.723SS**  trans-74.580.6173.6-176.80000108.8F66F66-V68 PolarHBondContact O-N 3.44Å
69K62.6Low50.7Low104 Ų104124.5 Ų124.545%0.45272%0.716SS.*  trans-64.4138.6173-81.4-175.3150.1-142.20111.4Q67 E73Q67-K69 PolarHBondContact O-N 3.09Å; K69-E73 WeakPolarHBondContact CD-OE2 3.33Å; K69-E73 WeakPolarHBondContact CE-OE2 3.46Å; K69-E73 IonicContact NZ-OE1 3.15Å; K69-E73 PolarHBondContact NZ-OE1 2.76Å; K69-E73 IonicContact NZ-OE2 3.19Å; K69-E73 PolarHBondContact NZ-OE2 3.05Å; K69-E73 VanDerWaalsContact NZ-OE2 3.15Å
70D60.8Low51.6Low121 Ų121121 Ų12165%0.64770%0.703SS**  trans-58.3144.5-166-130.3-32.4000113.3R72 E73D70-R72 PolarHBondContact O-N 3.19Å; D70-E73 PolarHBondContact O-N 2.72Å
71A59.2Low52.3Low84 Ų84128 Ų12869%0.69471%0.706SS**THydrogen-bonded Turntrans-60-25.2179.500000112.2
72R58.8Low52.9Low217 Ų217133 Ų13382%0.81970%0.704SS**THydrogen-bonded Turntrans-67.8-34.1176.3-165.9172.5-176.4-114.31.1113.5D70D70-R72 PolarHBondContact O-N 3.19Å
73E58.5Low53.5Low68 Ų68138.5 Ų138.532%0.31871%0.707SS.*Hα-helixtrans-72.7-39.2177.2-165.1-171.5162.300110.8K69 D70 L75 V76 Q77K69-E73 WeakPolarHBondContact CD-OE2 3.33Å; K69-E73 WeakPolarHBondContact CE-OE2 3.46Å; K69-E73 IonicContact NZ-OE1 3.15Å; K69-E73 PolarHBondContact NZ-OE1 2.76Å; K69-E73 IonicContact NZ-OE2 3.19Å; K69-E73 PolarHBondContact NZ-OE2 3.05Å; K69-E73 VanDerWaalsContact NZ-OE2 3.15Å; D70-E73 PolarHBondContact O-N 2.72Å; E73-L75 PolarHBondContact O-N 2.96Å; E73-V76 PolarHBondContact O-N 2.83Å; E73-Q77 PolarHBondContact O-N 3.44Å; E73-Q77 PolarHBondContact OE1-NE2 2.78Å
74K59.7Low53.7Low133 Ų133139.5 Ų139.558%0.57871%0.706SS**Hα-helixtrans-69.7-11.4-177.1-70.1-172.2176.3179.10115.1
75L55.3Low53.7Low136 Ų136143.3 Ų143.371%0.71271%0.707SS**Hα-helixtrans-78.7-44.1171.8-172.458.9000111.4E73 Q77 K78E73-L75 PolarHBondContact O-N 2.96Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 3.29Å; L75-K78 PolarHBondContact O-N 3.08Å
76V55.8Low53.6Low120 Ų120143.8 Ų143.873%0.72771%0.712SS**Hα-helixtrans-65.3-29.9-179.2-175.70000112.1E73 K78E73-V76 PolarHBondContact O-N 2.83Å; V76-K78 VanDerWaalsContact C-N 3.33Å; V76-K78 PolarHBondContact O-N 2.86Å
77Q56.1Low53.8Low122 Ų122145.1 Ų145.157%0.5771%0.711SS**THydrogen-bonded Turntrans-79.9-5.5-176.3-68.3175.7-2.800114.6E73 L75E73-Q77 PolarHBondContact O-N 3.44Å; E73-Q77 PolarHBondContact OE1-NE2 2.78Å; L75-Q77 VanDerWaalsContact C-N 3.26Å; L75-Q77 PolarHBondContact O-N 3.29Å
78K57.7Low53Low177 Ų177141.2 Ų141.277%0.7771%0.714SS**THydrogen-bonded Turntrans-92.5-11.5-177-94.9-175.8172.7-178.50116.1L75 V76 A80L75-K78 PolarHBondContact O-N 3.08Å; V76-K78 VanDerWaalsContact C-N 3.33Å; V76-K78 PolarHBondContact O-N 2.86Å; K78-A80 PolarHBondContact O-N 2.87Å
79D57.5Low52Low115 Ų115137.9 Ų137.962%0.61571%0.709SS**G310 helixtrans-81.326.6178.6-68.8-35.9000114.5R81 F82D79-R81 PolarHBondContact O-N 2.75Å; D79-F82 PolarHBondContact O-N 2.81Å; D79-F82 VanDerWaalsContact O-N 3.16Å
80A56.3Low51Low79 Ų79137.9 Ų137.965%0.65373%0.728SS**G310 helixtrans-58.9-14.2170.900000113.5K78 F82K78-A80 PolarHBondContact O-N 2.87Å; A80-F82 VanDerWaalsContact C-N 3.33Å; A80-F82 PolarHBondContact O-N 3.44Å
81R52.9Low50Low226 Ų226137.1 Ų137.185%0.85374%0.739SS**G310 helixtrans-77.9-9177-154.9174.6-177-174.40.8114.5D79D79-R81 PolarHBondContact O-N 2.75Å
82F50.5Low49Very low187 Ų187138.2 Ų138.282%0.8275%0.748SS**G310 helixtrans-100.510.8176.2-90.8-79.1000114.9D79 A80D79-F82 PolarHBondContact O-N 2.81Å; D79-F82 VanDerWaalsContact O-N 3.16Å; A80-F82 VanDerWaalsContact C-N 3.33Å; A80-F82 PolarHBondContact O-N 3.44Å
83K52.1Low48.1Very low187 Ų187132.8 Ų132.881%0.81375%0.75SS**  trans-103.231.8175.4-68.4-172.8178178.60114.2R85K83-R85 PolarHBondContact O-N 2.57Å; K83-R85 VanDerWaalsContact O-N 3.11Å
84I49.9Very low47.6Very low158 Ų158133.7 Ų133.781%0.8178%0.777SS**  trans-71106.1160.8-64.6-176.7000108G86I84-G86 PolarHBondContact O-N 2.8Å
85R39.8Very low46.8Very low203 Ų203130.6 Ų130.677%0.76678%0.783SS**  trans-60.698.5176.6171.4-176.6-78.8167.9-5.8111K83 R87K83-R85 PolarHBondContact O-N 2.57Å; K83-R85 VanDerWaalsContact O-N 3.11Å; R85-R87 HydrophobicContact CG-CB 3.69Å; R85-R87 PolarHBondContact O-N 3.03Å
86G37.5Very low46.8Very low82 Ų82131.3 Ų131.385%0.84579%0.793SS**  trans-72.294.3153.400000109.3I84I84-G86 PolarHBondContact O-N 2.8Å
87R44.4Very low46.7Very low222 Ų222134 Ų13484%0.83880%0.797SS**  trans-102.6103.6177.6178.5-179.4-177-172.62109.9R85R85-R87 HydrophobicContact CG-CB 3.69Å; R85-R87 PolarHBondContact O-N 3.03Å
88G32.8Very low47.1Very low79 Ų79132.4 Ų132.481%0.81479%0.793SS**  trans126.7109.6176.300000111.4
89G33.3Very low47.4Very low75 Ų75127.3 Ų127.377%0.77378%0.783SS**  cis-178.8162.1-7.800000113.3
90A41.7Very low47.7Very low104 Ų104131 Ų13186%0.8679%0.789SS**  trans55.1135.1162.500000121.3
91A41.1Very low48.1Very low106 Ų106134.4 Ų134.488%0.87679%0.791SS**  trans62.385.3149.500000120.5
92A37.6Very low48.7Very low106 Ų106130.2 Ų130.288%0.87678%0.783SS**  trans-157.9153.4133.600000110.2
93A40.7Very low49.2Very low104 Ų104127.1 Ų127.186%0.8677%0.774SS**  trans-81.7167.9178.500000112.7
94G46.6Very low49.6Very low86 Ų86123.7 Ų123.789%0.88776%0.764SS**  trans-71152.3-17200000115.3
95G43.1Very low50.2Low68 Ų68119.8 Ų119.870%0.70175%0.751SS**  trans-165.682.9175.800000111.6Q97G95-Q97 PolarHBondContact O-N 3.01Å
96V55.7Low51.1Low152 Ų152120.3 Ų120.392%0.92175%0.753SS**  trans-69.8121.4170.7179.20000108D98V96-D98 PolarHBondContact O-N 3.22Å; V96-D98 VanDerWaalsContact O-N 3.15Å
97Q53.4Low51.8Low176 Ų176125 Ų12582%0.82275%0.75SS**  trans-76.1103.1-173.6-66.9173.7-5.900110.6G95 A99G95-Q97 PolarHBondContact O-N 3.01Å; Q97-A99 PolarHBondContact O-N 3.4Å
98D65Low52.1Low88 Ų88122.8 Ų122.847%0.47175%0.749SS.*  trans-68.8124.2172.1-179.90.8000110.2V96 R100 Q101V96-D98 PolarHBondContact O-N 3.22Å; V96-D98 VanDerWaalsContact O-N 3.15Å; D98-R100 PolarHBondContact O-N 3.44Å; D98-R100 WeakPolarHBondContact OD1-CB 3.19Å; D98-R100 WeakPolarHBondContact OD1-CG 3.47Å; D98-R100 PolarHBondContact OD1-N 3.15Å; D98-Q101 PolarHBondContact O-N 3.35Å
99A63.6Low52.9Low70 Ų70125.1 Ų125.158%0.57975%0.747SS**Hα-helixtrans-54.4-24.4176.500000113.3Q97 Q101 M102Q97-A99 PolarHBondContact O-N 3.4Å; A99-Q101 VanDerWaalsContact C-N 3.32Å; A99-Q101 PolarHBondContact O-N 3.15Å; A99-M102 PolarHBondContact O-N 2.79Å
100R64.2Low53.6Low194 Ų194130.3 Ų130.373%0.73275%0.751SS**Hα-helixtrans-62.7-33.2174.5-66177169.6-120.7-3.1113.2D98D98-R100 PolarHBondContact O-N 3.44Å; D98-R100 WeakPolarHBondContact OD1-CB 3.19Å; D98-R100 WeakPolarHBondContact OD1-CG 3.47Å; D98-R100 PolarHBondContact OD1-N 3.15Å
101Q65Low53.7Low150 Ų150130.3 Ų130.370%0.70175%0.745SS**Hα-helixtrans-68.3-38177.2-77.8-169.9-12.900112.4D98 A99 I103 N104 S105D98-Q101 PolarHBondContact O-N 3.35Å; A99-Q101 VanDerWaalsContact C-N 3.32Å; A99-Q101 PolarHBondContact O-N 3.15Å; Q101-I103 PolarHBondContact O-N 3.06Å; Q101-N104 PolarHBondContact O-N 2.71Å; Q101-S105 PolarHBondContact O-N 2.96Å
102M64.4Low53.4Low138 Ų138133.7 Ų133.768%0.6874%0.743SS**Hα-helixtrans-66.2-20.5-179.8-78.7-170.865.300114.3A99 S105A99-M102 PolarHBondContact O-N 2.79Å; M102-S105 PolarHBondContact O-OG 3.2Å
103I61.3Low53.2Low121 Ų121139.3 Ų139.362%0.62175%0.748SS**Hα-helixtrans-81.6-38.3180-63.9171.2000110.8Q101Q101-I103 PolarHBondContact O-N 3.06Å
104N61.3Low52.8Low116 Ų116137.9 Ų137.962%0.6274%0.744SS**Hα-helixtrans-71.7-40.2-177.3-74.3-16000112.8Q101 R106 K107Q101-N104 PolarHBondContact O-N 2.71Å; N104-R106 VanDerWaalsContact C-N 3.28Å; N104-R106 PolarHBondContact O-N 2.92Å; N104-K107 WeakPolarHBondContact O-CB 3.36Å; N104-K107 PolarHBondContact O-N 3.09Å; N104-K107 VanDerWaalsContact O-N 3.09Å
105S61.7Low52.2Low75 Ų75139.4 Ų139.452%0.52474%0.74SS.*Hα-helixtrans-60.8-37.4177.656.10000112.4Q101 M102 K107 Q108Q101-S105 PolarHBondContact O-N 2.96Å; M102-S105 PolarHBondContact O-OG 3.2Å; S105-K107 PolarHBondContact O-N 2.99Å; S105-Q108 PolarHBondContact O-N 3.38Å
106R58.2Low52.3Low214 Ų214141.7 Ų141.781%0.80874%0.743SS**THydrogen-bonded Turntrans-69.9-14.5178-159.9164.4-173.1164.62.4113.7N104N104-R106 VanDerWaalsContact C-N 3.28Å; N104-R106 PolarHBondContact O-N 2.92Å
107K52.7Low51Low180 Ų180138.8 Ų138.878%0.78374%0.735SS**THydrogen-bonded Turntrans-85.7-8.1178.4-151.6-178.3179.1-1740114N104 S105N104-K107 WeakPolarHBondContact O-CB 3.36Å; N104-K107 PolarHBondContact O-N 3.09Å; N104-K107 VanDerWaalsContact O-N 3.09Å; S105-K107 PolarHBondContact O-N 2.99Å
108Q50.3Low50Low177 Ų177139 Ų13983%0.82774%0.736SS**SBendtrans-90.8-10.6176-75-170.6-16.800114.4S105S105-Q108 PolarHBondContact O-N 3.38Å
109V50.1Low48.4Very low127 Ų127140.7 Ų140.777%0.7775%0.75SS**SBendtrans-96.316.1-175.1-157.80000112.7
110Q47.7Very low47Very low184 Ų184144 Ų14486%0.8676%0.763SS**  trans-129.463.9-178.5-159.5160.316.400113.1
111S43.5Very low45.5Very low105 Ų105142.2 Ų142.273%0.73477%0.767SS**  trans-138.1163.3154.2-1730000107.9
112Q36Very low44Very low176 Ų176144.8 Ų144.882%0.82278%0.776SS**  trans71.786.9-171.2-53.7-70.73.800115.5
113F33.8Very low42.5Very low224 Ų224142.9 Ų142.998%0.98278%0.782SS**  trans-129.5122.8149.3-120.2-78.1000106.8
114G30.7Very low41.2Very low75 Ų75142.1 Ų142.177%0.77379%0.794SS**  trans17996.6-174.900000113.9
115S34.9Very low40Very low117 Ų117144.9 Ų144.982%0.81881%0.807SS**  trans-88.9165.9158.756.10000108.9
116P45.2Very low38.7Very low116 Ų116145.1 Ų145.175%0.75381%0.813SS**  cis-149169.624.744.3-24.8000119.7
117A27.8Very low37.7Very low92 Ų92143.6 Ų143.676%0.7682%0.815SS**  trans73.4156.9138.500000124
118Q32Very low36.8Very low181 Ų181142.8 Ų142.885%0.84681%0.814SS**  trans76.6107.1161.4-53.6-148.91400121.4
119T32.1Very low36.3Very low122 Ų122141.4 Ų141.475%0.74881%0.812SS**  25124.4117-48.10000119.7
120T33.4Very low35.6Very low139 Ų139143.2 Ų143.285%0.85381%0.812SS**  -170.7153.7123.1-800000111.7
121L33.9Very low34.7Very low157 Ų157137.9 Ų137.982%0.82281%0.807SS**  trans-86.3145.3-177.4-59.6161.7000113.2
122K33.8Very low34.2Very low204 Ų204142.2 Ų142.289%0.88781%0.812SS**  trans-174.7119.1137.7-101.5162.7-177.8-177.30107.7
123A32.5Very low33.9Very low98 Ų98140 Ų14081%0.8181%0.811SS**  82.3101.650.900000113.5
124A34.2Very low33.6Very low105 Ų105135.3 Ų135.387%0.86880%0.801SS**  trans-148.1118.6157.800000107.8
125I35.4Very low33.8Very low174 Ų174138 Ų13889%0.89280%0.802SS**  trans-121.9125.2177.2-64168.7000107.1
126A34.8Very low34.2Very low80 Ų80137.4 Ų137.466%0.66180%0.795SS**  trans-164133.7158.600000111.9
127Q37.6Very low33.4Very low182 Ų182139.3 Ų139.385%0.8579%0.794SS**  trans53.9119.9144.7-63157.70.500118.8
128Q34Very low33.5Very low163 Ų163141.1 Ų141.176%0.76279%0.79SS**  cis81.3105.736.8-170-175.8-24.600115.3
129L39.8Very low33.2Very low149 Ų149139.6 Ų139.678%0.7878%0.783SS**  trans-174.7116.4145.7-91.6150.2000104.8
130Q33.5Very low33Very low164 Ų164140.2 Ų140.277%0.76678%0.78SS**  53.4119.782-60.9179.5-4.800113.5
131G30.2Very low32.7Very low73 Ų73141.6 Ų141.675%0.75378%0.777SS**  cis165-179.7-8.300000113.7
132K31.9Very low32.5Very low196 Ų196140.9 Ų140.985%0.85278%0.779SS**  trans69118.1165.5-68.8-176.4174-179.90121.3
133T29.4Very low32.4Very low128 Ų128134 Ų13479%0.78577%0.766SS**  trans57.7152.9136.160.90000119.7
134T29.4Very low32.5Very low127 Ų127136.5 Ų136.578%0.77977%0.766SS**  cis-155.4170.626.3-39.40000111.3
135V34.3Very low32.7Very low130 Ų130137.6 Ų137.679%0.78876%0.757SS**  trans-135.6138.5175.8172.40000107
136P43.3Very low32.7Very low106 Ų106136.8 Ų136.869%0.68875%0.753SS**  -129.3-136.354.1252.9000114.3
137Q27.5Very low32.5Very low155 Ų155137.3 Ų137.372%0.72476%0.758SS**  cis-168109.716.6-174.1163-3400117.4
138I31.3Very low32.1Very low131 Ų131134.4 Ų134.467%0.67276%0.758SS**  trans76.2147.9131.5-69.8-178.4000124.1
139Q25.2Very low32.1Very low149 Ų149130.4 Ų130.470%0.69675%0.752SS**  trans60.1129.4168.1-9649.2104.500118.7
140I28.4Very low31.8Very low134 Ų134130.5 Ų130.569%0.68775%0.754SS**  77.1128.350.4-73.3-175.7000112.8
141Q27.2Very low31.8Very low169 Ų169126.5 Ų126.579%0.7975%0.749SS**  cis-162.9174.82.4-126.3-165.7110.500111.9
142T29.1Very low31.9Very low141 Ų141133.1 Ų133.187%0.86575%0.751SS**  trans164.8129.3132.2-72.40000115.1
143G32.4Very low31.9Very low59 Ų59130.4 Ų130.461%0.60874%0.741SS**  trans95.5100.9136.500000122.9
144N33.9Very low32Very low152 Ų152133.7 Ų133.781%0.81375%0.745SS**  trans39.3146132.2-66.31.1000122.4
145N37.1Very low32.5Very low127 Ų127133.7 Ų133.768%0.67975%0.745SS**  cis-160.8174.97.3-129.9-28.9000113.7
146L36.3Very low32.5Very low157 Ų157134.5 Ų134.582%0.82275%0.75SS**  trans-1.3140.6160.2-9657.5000119.2
147A30.6Very low31.9Very low91 Ų91135.9 Ų135.975%0.75276%0.757SS**  cis-159.3-165.78.300000109.3
148S29.1Very low32.3Very low122 Ų122135.5 Ų135.585%0.85376%0.758SS**  cis-159.7-168.210.1-157.80000112.1
149A34.7Very low32.3Very low78 Ų78137.9 Ų137.965%0.64577%0.767SS**  trans-149.8175.2-173.800000110.5
150N34.1Very low32.6Very low151 Ų151133.8 Ų133.881%0.80777%0.765SS**  cis-158.4159.4-21.1-104.9-24000105
151A32Very low32.8Very low80 Ų80136 Ų13666%0.66178%0.777SS**  cis80.397.640.600000116.5
152R32.9Very low33.3Very low212 Ų212135.3 Ų135.380%0.878%0.777SS**  trans71.3132.3153.7-66-174.2175.8-125.59.6122.4
153Q32.3Very low34.5Very low139 Ų139133.9 Ų133.965%0.6577%0.77SS**  39.5149.4128.2-52-179.2-80.300121.5
154F32.1Very low34.4Very low198 Ų198142 Ų14287%0.86878%0.783SS**  -174.1175.6117.1-97.3-58.3000114
155T39Very low34.1Very low127 Ų127141.7 Ų141.778%0.77979%0.786SS**  trans-108.7158.2179.549.80000111.4
156T33.3Very low33.8Very low146 Ų146139 Ų13990%0.89679%0.789SS**  trans-142156.3174.2-42.50000113.3
157T31.7Very low33.7Very low135 Ų135136.6 Ų136.683%0.82879%0.791SS**  trans-106.6168.2-170.5-53.10000112.6
158I35.5Very low34.1Very low147 Ų147138.7 Ų138.775%0.75480%0.795SS**  trans-64.1139.4173.3-63.8163.6000112
159Q30.8Very low34.7Very low181 Ų181138.9 Ų138.985%0.84679%0.793SS**  trans-168.7129.2130.9-149.266.53.800113.9
160G31.7Very low34.5Very low64 Ų64143.4 Ų143.466%0.6680%0.801SS**  trans58.2131.5136.700000124.6
161L32.1Very low34.8Very low180 Ų180143.4 Ų143.494%0.94280%0.8SS**  trans87141.3147.5-61.1168.2000120.9
162I38.2Very low35Very low155 Ų155144.6 Ų144.680%0.79580%0.804SS**  trans-135.1158.1178.2-3.2175.1000105.2
163P53.9Low35.8Very low111 Ų111142.7 Ų142.772%0.72181%0.809SS**  -159.2170.464.242.2-20.4000120.1
164R30.2Very low36Very low229 Ų229140.4 Ų140.486%0.86481%0.809SS**  trans99.4143150-61.7-158.5167.4-157.4-4.5121.1
165V28.8Very low37Very low145 Ų145137.5 Ų137.588%0.87981%0.807SS**  trans62.7130.1170-1550000116.2
166G31.1Very low37.5Very low72 Ų72141.8 Ų141.874%0.74281%0.809SS**  cis142.488.5-9.200000113.7
167A34.4Very low38.7Very low106 Ų106141.4 Ų141.488%0.87681%0.806SS**  trans-153.8161.1170.900000111.7
168T38.6Very low40.1Very low135 Ų135140.9 Ų140.983%0.82880%0.796SS**  trans-84.7159.4-168.341.70000115.3
169P41.9Very low41.7Very low125 Ų125138.4 Ų138.481%0.81278%0.784SS**  trans-79.3161.4-178.734-37.4000113.7
170Q29.5Very low43.3Very low174 Ų174133.6 Ų133.681%0.81378%0.775SS**  trans-137.1134.5175.8-136-74.4-29.200109.6
171L41.1Very low44.9Very low151 Ų151140 Ų14079%0.79178%0.779SS**  trans-83.8135.1-174.5-74.781.2000111.7
172S35Very low46.5Very low105 Ų105135.1 Ų135.173%0.73475%0.754SS**  trans-136.8115.1159.550.70000111.7S174S172-S174 PolarHBondContact O-N 3.34Å
173N49.7Very low47.6Very low172 Ų172136.8 Ų136.892%0.9275%0.75SS**  trans-72.6110.4171.2-87-26.6000109.4
174S38.1Very low47.9Very low91 Ų91137.7 Ų137.764%0.63675%0.748SS**  trans-117.7112.9166.851.10000109.9S172 R176S172-S174 PolarHBondContact O-N 3.34Å; S174-R176 PolarHBondContact O-N 3.43Å
175V52.3Low49.3Very low137 Ų137130 Ų13083%0.8373%0.73SS**  trans-72.789.1179.9-179.40000109.1V177V175-V177 PolarHBondContact O-N 2.79Å
176R50.4Low50.6Low217 Ų217129.1 Ų129.182%0.81972%0.719SS**  trans-74.2105.2170.4-68.8-160-68.9-1380.3109.5S174 M178S174-R176 PolarHBondContact O-N 3.43Å; R176-M178 PolarHBondContact O-N 2.82Å
177V57.5Low51.6Low138 Ų138134.8 Ų134.884%0.83672%0.724SS**  trans-64.2104.4172.4-171.80000108.2V175 D179V175-V177 PolarHBondContact O-N 2.79Å; V177-D179 PolarHBondContact O-N 2.87Å
178M61.6Low52.6Low124 Ų124139.9 Ų139.961%0.61172%0.72SS**  trans-73.1125.6-172.7-154.482.783.500111R176 R183R176-M178 PolarHBondContact O-N 2.82Å; M178-R183 HydrophobicContact CG-CG 4.28Å
179D68.3Low52.8Low95 Ų95137.8 Ų137.851%0.50871%0.711SS.*  trans-62.8143.3176.6-177.931.7000111.4V177 R181 D182V177-D179 PolarHBondContact O-N 2.87Å; D179-R181 PolarHBondContact O-N 2.84Å; D179-R181 VanDerWaalsContact O-N 3.16Å; D179-R181 WeakPolarHBondContact OD2-CB 3.46Å; D179-R181 WeakPolarHBondContact OD2-CD 3.04Å; D179-R181 WeakPolarHBondContact OD2-CG 3.42Å; D179-D182 PolarHBondContact O-N 3.45Å
180A64.3Low52.9Low79 Ų79139.8 Ų139.865%0.65371%0.713SS**THydrogen-bonded Turntrans-62.4-24.3-177.100000112.9
181R65.1Low53.2Low200 Ų200135.1 Ų135.176%0.75571%0.711SS**THydrogen-bonded Turntrans-67.2-43.8175.8-67.1176.5167.1149.9-3.5112.4D179 R183 L184D179-R181 PolarHBondContact O-N 2.84Å; D179-R181 VanDerWaalsContact O-N 3.16Å; D179-R181 WeakPolarHBondContact OD2-CB 3.46Å; D179-R181 WeakPolarHBondContact OD2-CD 3.04Å; D179-R181 WeakPolarHBondContact OD2-CG 3.42Å; R181-R183 VanDerWaalsContact C-N 3.32Å; R181-R183 PolarHBondContact O-N 2.66Å; R181-L184 WeakPolarHBondContact O-CB 3.26Å; R181-L184 PolarHBondContact O-N 2.76Å; R181-L184 VanDerWaalsContact O-N 3.08Å
182D65.8Low52.9Low77 Ų77131.2 Ų131.241%0.41271%0.708SS.*Hα-helixtrans-70.1-32.3-172.9-162.646.3000112.2D179 L184 S185D179-D182 PolarHBondContact O-N 3.45Å; D182-L184 PolarHBondContact O-N 2.75Å; D182-L184 VanDerWaalsContact O-N 3.11Å; D182-S185 WeakPolarHBondContact O-CB 3.17Å; D182-S185 PolarHBondContact O-N 2.7Å
183R63.1Low53.1Low190 Ų190132.8 Ų132.872%0.71771%0.713SS**Hα-helixtrans-61.7-18.8172.7-54.4-160.576.5-167.64.3113.8M178 R181M178-R183 HydrophobicContact CG-CG 4.28Å; R181-R183 VanDerWaalsContact C-N 3.32Å; R181-R183 PolarHBondContact O-N 2.66Å
184L59.8Low52.4Low129 Ų129132.4 Ų132.468%0.67571%0.706SS**Hα-helixtrans-91.7-17.9176.3-157.968.5000112.7R181 D182R181-L184 WeakPolarHBondContact O-CB 3.26Å; R181-L184 PolarHBondContact O-N 2.76Å; R181-L184 VanDerWaalsContact O-N 3.08Å; D182-L184 PolarHBondContact O-N 2.75Å; D182-L184 VanDerWaalsContact O-N 3.11Å
185S58.5Low52.2Low68 Ų68134.9 Ų134.948%0.47672%0.718SS.*Hα-helixtrans-71.2-47.7178.2-55.50000112.2D182 K187D182-S185 WeakPolarHBondContact O-CB 3.17Å; D182-S185 PolarHBondContact O-N 2.7Å; S185-K187 PolarHBondContact O-N 3.42Å
186L57.4Low51.4Low127 Ų127136.1 Ų136.167%0.66571%0.714SS**SBendtrans-71.6-26.7-171.7-83.968.7000113.7R188L186-R188 PolarHBondContact O-N 2.98Å
187K52.3Low50.4Low191 Ų191132.9 Ų132.983%0.8372%0.719SS**THydrogen-bonded Turntrans-82.330.2-168.5-109.1-16873.21690115.9S185S185-K187 PolarHBondContact O-N 3.42Å
188R54.1Low49.3Very low212 Ų212131.1 Ų131.180%0.872%0.718SS**THydrogen-bonded Turntrans-144.931.5170.763.4-179.7-176.6-117.63.2114.5L186L186-R188 PolarHBondContact O-N 2.98Å
189S42.3Very low48Very low91 Ų91129.9 Ų129.964%0.63673%0.728SS**SBendtrans-129.7108.7167.4-166.70000111.2
190I45.5Very low46.2Very low168 Ų168133.9 Ų133.986%0.86274%0.744SS**  trans65.2132.2157.9-55169.6000117.8
191G34.4Very low45.5Very low75 Ų75134.9 Ų134.977%0.77374%0.744SS**  trans16585.4174.700000109.3
192G36.2Very low44.9Very low70 Ų70130.6 Ų130.672%0.72274%0.742SS**  cis87.385.613.800000110
193T38.8Very low43.6Very low137 Ų137135.6 Ų135.684%0.8477%0.767SS**  trans-76.7128.9-175.940.60000112.1
194Q34.4Very low42.5Very low164 Ų164136 Ų13677%0.76678%0.775SS**  trans-168.1136.2143.5-112.8165.8106.700111.7
195T33.8Very low41.7Very low144 Ų144138.3 Ų138.388%0.88379%0.785SS**  trans-129.2129.7158.537.50000106.4
196Q35.2Very low41Very low162 Ų162141 Ų14176%0.75780%0.8SS**  trans-114.1135.1175-71-174.75.300109.8
197T30.9Very low39.9Very low150 Ų150143.6 Ų143.692%0.9281%0.805SS**  trans-135.9136.1157.2-31.90000105.7
198A34.3Very low39.4Very low100 Ų100140.3 Ų140.383%0.82680%0.801SS**  trans-114.6142.1-163.700000113.6
199A33.5Very low39Very low98 Ų98137.3 Ų137.381%0.8180%0.799SS**  trans-164.8112.1156.900000110.9
200E30.8Very low38.7Very low180 Ų180141.2 Ų141.284%0.84181%0.808SS**  trans32155.6135.5-73.3-63.49300123.3
201P49.1Very low38.3Very low100 Ų100141 Ų14165%0.64980%0.803SS**  -122.9-123.4-129.626.8-1.2000115.7
202P54Low38.3Very low110 Ų110147.9 Ų147.971%0.71481%0.806SS**  -119.6150.4-100.935.8-22.4000115.3
203L37.3Very low38.9Very low181 Ų181150 Ų15095%0.94881%0.807SS**  trans-130.2130.8166.1-70.9175.6000112.4
204K39.1Very low38.7Very low200 Ų200148.3 Ų148.387%0.8781%0.807SS**  trans-89.7148.8165.9-54.2168.5-176.3172.30108.3
205I44.3Very low38.8Very low176 Ų176144.2 Ų144.290%0.90381%0.808SS**  trans-167.3148.8143.4-104.5150.7000111.3
206T43.8Very low39.1Very low126 Ų126144 Ų14477%0.77381%0.808SS**  trans-90.9172.7-177.8-52.20000111.6
207K34.2Very low39.6Very low180 Ų180144.9 Ų144.978%0.78382%0.816SS**  trans107.1144.7169.9-62.7178.766.7178.10113.7
208T41.3Very low39.7Very low122 Ų122141 Ų14175%0.74881%0.807SS**  cis-149.1158.6-4.3-2.60000111.5
209I46.8Very low39.5Very low149 Ų149145 Ų14576%0.76481%0.808SS**  trans-69.6138.7165.1-66.6166.3000110
210Q35.1Very low39.9Very low174 Ų174146.4 Ų146.481%0.81380%0.801SS**  trans-144.194.3152.8-165.594.5103.200110.2
211Q36.7Very low40.1Very low164 Ų164149.3 Ų149.377%0.76680%0.804SS**  trans-76.2144.7156.8-71.6-176.7-6.400109.2
212R34.5Very low39.2Very low218 Ų218148.2 Ų148.282%0.82380%0.804SS**  trans-157.9119.4133.2-141.5-172.8-60.6168.22.8111.3
213P48.2Very low38.2Very low115 Ų115151.4 Ų151.475%0.74781%0.811SS**  trans-78.1147.4155.933.5-31.2000109.4
214A34.6Very low38.2Very low101 Ų101149 Ų14984%0.83580%0.804SS**  trans-149.9121166.700000108.4
215G37.3Very low37.8Very low78 Ų78147.7 Ų147.780%0.80480%0.801SS**  trans-116.1152.4173.400000110.3
216T41.2Very low38Very low141 Ų141144.7 Ų144.787%0.86579%0.793SS**  trans-13295.4175.952.90000110.2
217L45.7Very low37.5Very low179 Ų179142.7 Ų142.794%0.93779%0.789SS**  trans-120.5136.3152.3-75173.8000106.3
218G31.8Very low38.3Very low70 Ų70139.7 Ų139.772%0.72279%0.788SS**  trans-89.9154.3-17700000112.9
219E30.2Very low37.8Very low183 Ų183138.6 Ų138.686%0.85579%0.785SS**  trans63.7140.8151.5-67.2-164.9106.200118.7
220I41.2Very low37.2Very low128 Ų128137.2 Ų137.266%0.65678%0.784SS**  cis-151.7142.98.4-113.5153000108.9
221R35.2Very low37.3Very low240 Ų240136.2 Ų136.291%0.90678%0.784SS**  trans55.4153.7159.6-79-177.4166164.8-3.9120
222A31.5Very low37Very low78 Ų78134.4 Ų134.465%0.64578%0.779SS**  cis-158.1160.7-10.200000112.6
223M32.2Very low36.9Very low177 Ų177128.2 Ų128.287%0.87277%0.769SS**  trans67.3111.8146-86.6174.715800122.4
224T36.5Very low36.6Very low129 Ų129130.6 Ų130.679%0.79177%0.774SS**  97.4111.9126.7-51.20000119.9
225Q30.7Very low36.7Very low174 Ų174130.2 Ų130.281%0.81377%0.771SS**  trans-73.1-175.3162.5-78.5-179.3-64.100112.4
226P49.1Very low36.7Very low112 Ų112132.5 Ų132.573%0.72777%0.774SS**  cis-117.8174.5-10.118.67000111.4
227A32.8Very low36.9Very low84 Ų84135.1 Ų135.169%0.69477%0.774SS**  cis67.7151.54300000114.6
228P52.4Low36.4Very low117 Ų117135.1 Ų135.176%0.7677%0.769SS**  cis-135.8-156.2-3.842.7-23.4000114.4
229S31.3Very low36.7Very low100 Ų100138.1 Ų138.170%0.69977%0.767SS**  trans87.2145.4155.282.60000119.5
230T32.8Very low36.9Very low120 Ų120137.9 Ų137.974%0.73676%0.763SS**  cis-173.2148.4-31.926.80000111.2
231L36.8Very low36.8Very low153 Ų153139 Ų13980%0.80177%0.769SS**  trans65.3164.6160.8-57.8161.3000115.7
232D31.8Very low37Very low126 Ų126133.6 Ų133.667%0.67476%0.763SS**  cis-153.1169.9-6.8-140.1-49.2000113.1
233S32.3Very low37.3Very low87 Ų87136.4 Ų136.461%0.60877%0.772SS**  trans44.7114142.5-730000124.5
234I41.6Very low37.7Very low165 Ų165131.9 Ų131.985%0.84676%0.763SS**  31.3111.9120-49.2169.3000118.9
235A37.4Very low37.9Very low93 Ų93133.6 Ų133.677%0.76977%0.767SS**  trans-166.4142.4139.200000111
236S35.4Very low38.2Very low126 Ų126132.8 Ų132.888%0.88177%0.769SS**  trans-164.295165.9-820000112.6
237K47.2Very low37.7Very low197 Ų197134.5 Ų134.586%0.85777%0.769SS**  trans-152.4139.7165.6-73.9-168.5178.7-179.10109.5
238Q34.2Very low37.9Very low178 Ų178136.3 Ų136.383%0.83277%0.766SS**  trans65.3156.7164.5-65.1-174.9-31.100116.2
239I37.5Very low37.2Very low134 Ų134138.8 Ų138.869%0.68777%0.767SS**  cis-152.1147.5-18.8-116.9166.1000111
240K34.8Very low37.3Very low177 Ų177139.8 Ų139.877%0.7777%0.774SS**  trans-4.5136.6150.9-171.4-156-175.2-174.60118.3
241I39.1Very low37.4Very low152 Ų152145.4 Ų145.478%0.77978%0.782SS**  178.6144.8119.6-92.1161000113.9
242T38.7Very low37.1Very low126 Ų126145.1 Ų145.177%0.77379%0.787SS**  trans-81.3147.4174.6-50.70000112.4
243T37.8Very low37.4Very low137 Ų137142.7 Ų142.784%0.8479%0.792SS**  trans-177.1153.8137.4-78.80000110.5
244A41.5Very low38.4Very low82 Ų82144.4 Ų144.468%0.67880%0.801SS**  trans-120.1161.9177.800000111.3
245N40Very low38.2Very low166 Ų166141.6 Ų141.689%0.88880%0.802SS**  trans-178.1123.7144.7-97.8-31.6000112.8
246N37.8Very low38Very low157 Ų157140.7 Ų140.784%0.8480%0.802SS**  trans-175.3137.9153.3-1349.2000108.7
247M37.8Very low38.2Very low148 Ų148140.7 Ų140.773%0.72980%0.802SS**  cis-156.4172.5-33.3-113.3-74-82.700107.8
248L38.4Very low37.9Very low121 Ų121138.9 Ų138.963%0.63480%0.798SS**  trans-34.8158.7171.8-56.4178.4000116.5
249Q37Very low38Very low170 Ų170139.8 Ų139.879%0.79480%0.8SS**  cis-168.9151.83.3-119.7158.52.600110.4
250S32.9Very low37.9Very low121 Ų121138.5 Ų138.585%0.84680%0.803SS**  trans-157.6163.2154.666.30000111.3
251R35Very low38.4Very low238 Ų238138 Ų13890%0.89881%0.805SS**  trans-145.8166.1-177.3-100.3-169.4174.5-133.10.6112.2
252T31.3Very low38.5Very low147 Ų147137.5 Ų137.590%0.90281%0.809SS**  trans67.1133.917343.20000117.2
253G36.7Very low39.4Very low75 Ų75134.9 Ų134.977%0.77380%0.801SS**  trans-113.3-127.3178.800000111.4
254P54.1Low39.9Very low123 Ų123134.1 Ų134.180%0.79980%0.798SS**  cis-134.1175.112.742.9-26.9000116.5
255A37.6Very low40.1Very low105 Ų105137.2 Ų137.287%0.86880%0.801SS**  trans56.6136148.900000122.2
256G32.1Very low40.4Very low75 Ų75135.5 Ų135.577%0.77380%0.797SS**  trans153.795.2148.100000119.5
257S40.7Very low41.1Very low126 Ų126137.5 Ų137.588%0.88180%0.799SS**  trans67.7157.9151.7-154.30000121.2
258M41.8Very low41.9Very low158 Ų158136.7 Ų136.778%0.77880%0.801SS**  trans-107.6-179.5173.5-63.3178.7177.100111.2
259F35.2Very low43Very low198 Ų198136.7 Ų136.787%0.86881%0.806SS**  trans97.4135.4159.2-66.2-80000120.7
260S35.6Very low43.5Very low106 Ų106136.7 Ų136.774%0.74180%0.804SS**  trans81.1103.9147.8-1440000121.1
261M44.8Very low44.3Very low167 Ų167138.1 Ų138.182%0.82380%0.802SS**  52.9145.5129.9-64.2-65.5-76.400122.7
262T41.9Very low45.1Very low142 Ų142133.7 Ų133.787%0.87180%0.796SS**  trans94147.9160.4-31.20000115.9
263A58Low45.8Very low71 Ų71130.9 Ų130.959%0.58779%0.787SS**  trans-93.6157.9-164.900000114.5
264P47.3Very low46.3Very low121 Ų121137.8 Ų137.879%0.78679%0.792SS**  trans-76.1124.5161.132.1-31.5000109.3
265I45.6Very low46.2Very low146 Ų146138.7 Ų138.775%0.74980%0.795SS**  71.29152.4-56.1169.7000112.3K267I265-K267 HydrophobicContact CG2-CG 4.34Å
266T47.5Very low46.6Very low131 Ų131137.2 Ų137.280%0.80478%0.783SS**PPolyproline II helixtrans-84.8125.114847.10000108.2V268T266-V268 PolarHBondContact O-N 3.01Å
267K52.7Low47.2Very low199 Ų199139.7 Ų139.787%0.86579%0.786SS**PPolyproline II helixtrans-74.6117.9175.4-86.1-167.8174.3-176.80110.2I265I265-K267 HydrophobicContact CG2-CG 4.34Å
268V53Low47.6Very low130 Ų130143.5 Ų143.579%0.78878%0.781SS**PPolyproline II helixtrans-81.5126.8171.4177.30000109.5T266T266-V268 PolarHBondContact O-N 3.01Å
269V61.7Low48Very low121 Ų121140.8 Ų140.873%0.73378%0.775SS**PPolyproline II helixtrans-80.1136.1167.91740000108.8
270K47.2Very low48.7Very low171 Ų171137.5 Ų137.574%0.74377%0.773SS**PPolyproline II helixtrans-79.8123.2175.8-66.3-175.3177.4-173.60110.7
271N49.5Very low49.6Very low150 Ų150136.7 Ų136.780%0.80276%0.763SS**  trans-118.581.2166.4-78.1-6.8000108.6A273N271-A273 VanDerWaalsContact C-N 3.33Å; N271-A273 PolarHBondContact O-N 2.92Å
272D53Low49.5Very low145 Ų145135 Ų13578%0.77577%0.765SS**  trans-80.967.5-174.7-67.5-50.5000112.5
273A46.6Very low49.7Very low88 Ų88134.2 Ų134.273%0.72776%0.76SS**  trans-165.567170.100000116.1N271N271-A273 VanDerWaalsContact C-N 3.33Å; N271-A273 PolarHBondContact O-N 2.92Å
274Y46.3Very low48.8Very low221 Ų221135 Ų13587%0.86777%0.766SS**  trans-158.996.1149.3-138.7-98.7000113.7
275T51.7Low48.8Very low141 Ų141135.4 Ų135.487%0.86577%0.769SS**PPolyproline II helixtrans-88.6117.6172.5-64.30000109.8
276A46.2Very low48.3Very low75 Ų75135.2 Ų135.262%0.6278%0.775SS**PPolyproline II helixtrans-72147-179.300000112.8
277P45.6Very low47.8Very low127 Ų127137.7 Ų137.783%0.82577%0.769SS**PPolyproline II helixtrans-61.7140.7176.6-23.934.8000113.6
278R48.1Very low47.2Very low206 Ų206133.8 Ų133.878%0.77776%0.764SS**PPolyproline II helixtrans-86.3137.3-178-169.5-173.4-173.7-143.73.9111.3
279P51.4Low46.2Very low100 Ų100133.1 Ų133.165%0.64976%0.756SS**PPolyproline II helixtrans-66.3144.317128.2-34.7000111.4
280P49.7Very low44.8Very low129 Ų129132.4 Ų132.484%0.83875%0.752SS**PPolyproline II helixtrans-73133.1-176.929-34.3000111.9
281V53.9Low44.1Very low89 Ų89128.6 Ų128.654%0.53975%0.747SS.*  trans-105.9136.4167.4-73.30000109.4V283V281-V283 HydrophobicContact CG2-CG2 4.22Å; V281-V283 PolarHBondContact O-N 3.19Å
282P43.3Very low43.6Very low133 Ų133128.1 Ų128.186%0.86475%0.75SS**  trans-74.6125.7175.630.2-32.8000109.9
283V46Very low42.6Very low124 Ų124126.1 Ų126.175%0.75275%0.753SS**  trans-130.9129175-167.20000108.6V281V281-V283 HydrophobicContact CG2-CG2 4.22Å; V281-V283 PolarHBondContact O-N 3.19Å
284A38Very low41.9Very low87 Ų87126.5 Ų126.572%0.71976%0.757SS**PPolyproline II helixtrans-72.9135.6-179.200000111.4
285P47.1Very low41.3Very low130 Ų130120.6 Ų120.684%0.84475%0.753SS**PPolyproline II helixtrans-81.5127.7179.431.1-33.5000112.2
286T36.5Very low40.5Very low142 Ų142124.9 Ų124.987%0.87175%0.754SS**PPolyproline II helixtrans-83.2116.2176.1-190000111.7
287R36.7Very low39.9Very low183 Ų183126.3 Ų126.369%0.69176%0.76SS**  trans-10.3131159.2-177.3-179.2-167.2-109.9-6.1118.5N289R287-N289 PolarHBondContact NH1-OD1 3.45Å; R287-N289 PolarHBondContact NH2-OD1 3.02Å
288P39.2Very low39.3Very low117 Ų117125.8 Ų125.876%0.7676%0.759SS**  trans-94.8163.3136.933.8-31.6000112.8
289N33.1Very low38.6Very low116 Ų116120.5 Ų120.562%0.6276%0.759SS**  trans-70.5160.3178.6-136.89.5000110.3R287R287-N289 PolarHBondContact NH1-OD1 3.45Å; R287-N289 PolarHBondContact NH2-OD1 3.02Å
290T32.3Very low37.6Very low106 Ų106120.5 Ų120.565%0.6577%0.768SS**  cis-151.3-179.738.149.60000113.9
291S32.3Very low36.8Very low91 Ų91118.8 Ų118.864%0.63676%0.764SS**  trans80.593.7152.5-56.40000121.4
292T37.9Very low36Very low141 Ų141122.2 Ų122.287%0.86578%0.779SS**  66161129.555.90000122.8
293A32.6Very low36.1Very low102 Ų102123.5 Ų123.584%0.84377%0.773SS**  trans81.7103.5161.100000119.1
294A32.2Very low35.9Very low97 Ų97123.6 Ų123.680%0.80278%0.776SS**  trans-63.7151.8173.500000117.2
295A32.5Very low36.1Very low96 Ų96125.1 Ų125.179%0.79378%0.776SS**  trans80.5162.6134.600000122.3
296R36.6Very low36Very low231 Ų231123.7 Ų123.787%0.87277%0.77SS**  trans86.998.3165.3-61.9-176.2174.1147.5-0.2119.8
297S33.7Very low36.2Very low106 Ų106128 Ų12874%0.74177%0.77SS**  62.9136.6112.5-52.80000123.6
298S32.6Very low36.4Very low115 Ų115124.8 Ų124.880%0.80477%0.771SS**  trans83.6155.6134.670.30000121.7
299A32.3Very low36.3Very low95 Ų95126.3 Ų126.379%0.78577%0.772SS**  trans62.7129.8-178.600000116.5
300A32Very low36.6Very low101 Ų101128.7 Ų128.784%0.83578%0.779SS**  cis97.4160.226.600000114.7
301A33Very low36.9Very low92 Ų92133.1 Ų133.176%0.7679%0.792SS**  trans78.797.8179.100000119
302L37.1Very low37.1Very low161 Ų161134.2 Ų134.284%0.84380%0.8SS**  31.8123.8119.1-57.6170.9000121.2
303Q44.1Very low37.1Very low161 Ų161131.5 Ų131.575%0.75279%0.792SS**  trans43.1130.6131.6-52.9-67.21.400121.8
304P41.6Very low37.2Very low126 Ų126132 Ų13282%0.81879%0.785SS**  trans-112.9152.2144.236-28.4000113.1
305V42.6Very low37.5Very low118 Ų118135.3 Ų135.372%0.71578%0.784SS**  trans-137.7137.8-170.6164.10000112.4
306S44.4Very low37.5Very low101 Ų101136.6 Ų136.671%0.70678%0.782SS**  trans65.2154.9171.6-560000116
307R42Very low37.5Very low232 Ų232131 Ų13188%0.87578%0.778SS**  cis-144.914432.6-76.9170.5-112.9-165-3.8110.4
308T41.3Very low37.4Very low116 Ų116132.3 Ų132.371%0.71278%0.782SS**  91.6113.358.3-49.40000113.8
309L36.4Very low37.4Very low149 Ų149131.5 Ų131.578%0.7878%0.782SS**  trans160.7120.5143.4-87.3173000106.2
310Q39.4Very low37.5Very low165 Ų165131 Ų13177%0.77178%0.778SS**  cis106108.728.3-178.3-176.884.700111.6
311Q37.6Very low37.9Very low199 Ų199132.5 Ų132.593%0.9378%0.779SS**  trans-149.1134148-111175.417.500109.8
312S36.7Very low38.2Very low115 Ų115133.1 Ų133.180%0.80477%0.774SS**  trans-108.7170.2173.151.10000108.5
313A38.6Very low38.8Very low84 Ų84130.3 Ų130.369%0.69477%0.765SS**  cis-135.6-162.91.900000107.7
314T34.1Very low38.7Very low113 Ų113128.9 Ų128.969%0.69377%0.77SS**  cis-157129.423.1-5.80000108.9
315E39.4Very low38.9Very low166 Ų166130.6 Ų130.678%0.77677%0.767SS**  51.1148128.2-64.4179.6-150.300122.1
316T31.2Very low39.1Very low122 Ų122129.4 Ų129.475%0.74876%0.762SS**  cis-159.4172-1233.50000106.9
317S36.9Very low38.9Very low114 Ų114129.1 Ų129.180%0.79777%0.765SS**  cis-149.2-174.38.1-150.50000112.3
318T32.6Very low39.2Very low134 Ų134122.4 Ų122.482%0.82274%0.743SS**  trans-99.8149.8-173.5-61.60000114.2
319A32Very low39.3Very low98 Ų98119.5 Ų119.581%0.8173%0.727SS**  trans-146135.8154.400000113.3
320A34.5Very low40.1Very low84 Ų84118.3 Ų118.369%0.69473%0.728SS**  trans-29.1150.9-17300000121.5T322A320-T322 PolarHBondContact O-N 3.31Å
321P40Very low40.9Very low133 Ų133118.3 Ų118.386%0.86473%0.733SS**PPolyproline II helixtrans-70.2119.2174.430.5-34.6000112
322T39.7Very low42.3Very low104 Ų104113.4 Ų113.464%0.63871%0.71SS**PPolyproline II helixtrans-85.8143.4170-59.50000109.2A320A320-T322 PolarHBondContact O-N 3.31Å
323P48.7Very low44.5Very low103 Ų103108.8 Ų108.867%0.66968%0.68SS**PPolyproline II helixtrans-54.9151.8174.922.6-35.1000111.9Q325P323-Q325 PolarHBondContact O-N 3.33Å
324P43.6Very low46.9Very low131 Ų131105.9 Ų105.985%0.85165%0.653SS**  trans-64.595.5-166.926.1-35.6000111.8
325Q45.1Very low49.8Very low161 Ų161103.8 Ų103.875%0.75264%0.635SS**  trans-66.8133.7160.9-65.1-167-2.800107.6P323 A327P323-Q325 PolarHBondContact O-N 3.33Å; Q325-A327 PolarHBondContact O-N 2.9Å
326P47.8Very low52.4Low94 Ų9495.9 Ų95.961%0.6160%0.598SS**  trans-63.3104.6171.926-33.1000108.3F328P326-F328 HydrophobicContact CB-CD2 4.21Å; P326-F328 HydrophobicContact CB-CE2 3.79Å; P326-F328 HydrophobicContact CB-CZ 4.06Å; P326-F328 HydrophobicContact CG-CD2 4.22Å; P326-F328 HydrophobicContact CG-CE2 3.57Å; P326-F328 HydrophobicContact CG-CZ 4.11Å; P326-F328 VanDerWaalsContact O-CD2 3.27Å; P326-F328 WeakPolarHBondContact O-CD2 3.42Å; P326-F328 PolarHBondContact O-N 3.17Å
327A40Very low55.4Low94 Ų9491.5 Ų91.578%0.77757%0.571SS**  trans-72.673.217600000109.1Q325 S329Q325-A327 PolarHBondContact O-N 2.9Å; A327-S329 PolarHBondContact O-N 3.06Å
328F47Very low58.2Low92 Ų9286 Ų8640%0.40453%0.533SS..  trans-53.5112.8175-71.2-73.9000108.6P326 E332P326-F328 HydrophobicContact CB-CD2 4.21Å; P326-F328 HydrophobicContact CB-CE2 3.79Å; P326-F328 HydrophobicContact CB-CZ 4.06Å; P326-F328 HydrophobicContact CG-CD2 4.22Å; P326-F328 HydrophobicContact CG-CE2 3.57Å; P326-F328 HydrophobicContact CG-CZ 4.11Å; P326-F328 VanDerWaalsContact O-CD2 3.27Å; P326-F328 WeakPolarHBondContact O-CD2 3.42Å; P326-F328 PolarHBondContact O-N 3.17Å; F328-E332 HydrophobicContact CB-CB 4.3Å; F328-E332 HydrophobicContact CD1-CB 4.34Å; F328-E332 WeakPolarHBondContact CD1-OE1 3.43Å
329S44.8Very low61.2Low55 Ų5581 Ų8139%0.38550%0.503SS..  trans-57.2153.1-174-51.70000110.1A327 L331 E332A327-S329 PolarHBondContact O-N 3.06Å; S329-L331 PolarHBondContact O-N 3.12Å; S329-E332 WeakPolarHBondContact CB-OE2 3.46Å; S329-E332 PolarHBondContact N-OE2 3.29Å; S329-E332 WeakPolarHBondContact O-CA 3.05Å; S329-E332 WeakPolarHBondContact O-CB 3.4Å; S329-E332 PolarHBondContact O-N 2.96Å; S329-E332 PolarHBondContact OG-OE2 2.95Å
330P52.6Low64.2Low123 Ų12379.8 Ų79.880%0.79948%0.483SS*.THydrogen-bonded Turntrans-54.2-21.1172.5-29.337.3000114.1K361P330-K361 WeakPolarHBondContact O-CE 3.39Å; P330-K361 PolarHBondContact O-NZ 3.2Å
331L55.6Low67.1Low166 Ų16676 Ų7687%0.86945%0.451SS*.THydrogen-bonded Turntrans-80.6-24.5171.5-71.8157.7000114.7S329 G333S329-L331 PolarHBondContact O-N 3.12Å; L331-G333 PolarHBondContact O-N 2.88Å
332E66.8Low69.7Low96 Ų9672.1 Ų72.145%0.44942%0.421SS..  trans-77.668.1177.8-69.717682.300111F328 S329 K361F328-E332 HydrophobicContact CB-CB 4.3Å; F328-E332 HydrophobicContact CD1-CB 4.34Å; F328-E332 WeakPolarHBondContact CD1-OE1 3.43Å; S329-E332 WeakPolarHBondContact CB-OE2 3.46Å; S329-E332 PolarHBondContact N-OE2 3.29Å; S329-E332 WeakPolarHBondContact O-CA 3.05Å; S329-E332 WeakPolarHBondContact O-CB 3.4Å; S329-E332 PolarHBondContact O-N 2.96Å; S329-E332 PolarHBondContact OG-OE2 2.95Å; E332-K361 PolarHBondContact O-NZ 3.42Å
333G82.7Confident72.2Confident17 Ų1771.5 Ų71.518%0.17542%0.419CS..PPolyproline II helixtrans-74.8149.315900000111.1L331 K335 F375L331-G333 PolarHBondContact O-N 2.88Å; G333-K335 PolarHBondContact O-N 3.15Å; G333-F375 CarbonylContact C-O 3.6Å; G333-F375 WeakPolarHBondContact CA-O 3.45Å
334T90.9Very high74.4Confident23 Ų2376.6 Ų76.614%0.14143%0.425CS..EExtended strand (participates in β ladder)trans-81.1120.3176.2-59.90000109.8F375 K378 A381 L402 I404T334-F375 PolarHBondContact N-O 3.1Å; T334-F375 VanDerWaalsContact N-O 3.08Å; T334-F375 PolarHBondContact O-N 3Å; T334-K378 HydrophobicContact CG2-CB 4.42Å; T334-K378 VanDerWaalsContact OG1-CA 3.31Å; T334-K378 WeakPolarHBondContact OG1-CA 3.27Å; T334-K378 VanDerWaalsContact OG1-CB 3.26Å; T334-K378 WeakPolarHBondContact OG1-CB 3.16Å; T334-A381 HydrophobicContact CG2-CB 3.53Å; T334-L402 HydrophobicContact CG2-CD1 3.72Å; T334-I404 HydrophobicContact CG2-CG1 4.35Å
335K93.3Very high76.8Confident69 Ų6970.7 Ų70.730%0.339%0.386SS..EExtended strand (participates in β ladder)trans-90.2133.2-174.6171.6174.8172.5163.80112.3G333 T337 E372 V373 V374 H403G333-K335 PolarHBondContact O-N 3.15Å; K335-T337 WeakPolarHBondContact CE-OG1 3.42Å; K335-E372 HydrophobicContact CD-CG 4.27Å; K335-E372 VanDerWaalsContact CD-OE1 3.32Å; K335-E372 WeakPolarHBondContact CD-OE1 3.43Å; K335-E372 WeakPolarHBondContact CE-OE1 3.45Å; K335-E372 HydrophobicContact CG-CG 4.4Å; K335-E372 IonicContact NZ-OE1 2.62Å; K335-E372 PolarHBondContact NZ-OE1 3.44Å; K335-V373 CarbonylContact C-O 3.6Å; K335-V373 WeakPolarHBondContact CA-O 3.33Å; K335-V374 HydrophobicContact CB-CG2 4.33Å; K335-H403 HydrophobicContact CB-CB 4.17Å; K335-H403 HydrophobicContact CG-CB 4.45Å; K335-H403 WeakPolarHBondContact O-CB 3.46Å; K335-H403 PolarHBondContact O-N 3.15Å; K335-H403 PolarHBondContact O-ND1 3.16Å
336I94.4Very high79.2Confident0 Ų065.2 Ų65.20%037%0.366CS..EExtended strand (participates in β ladder)trans-112.2131.6163-48.6-174.4000107.7V338 F354 V373 F375 A381 A384 C400 N401 L402I336-V338 HydrophobicContact CG2-CG2 3.91Å; I336-F354 HydrophobicContact CD1-CE1 4.39Å; I336-V373 PolarHBondContact N-O 3.39Å; I336-V373 PolarHBondContact O-N 3.06Å; I336-F375 HydrophobicContact CD1-CD2 4.13Å; I336-F375 HydrophobicContact CD1-CE2 3.74Å; I336-F375 HydrophobicContact CG1-CD2 4.39Å; I336-F375 HydrophobicContact CG1-CE2 4.38Å; I336-A381 HydrophobicContact CD1-CB 4.19Å; I336-A381 WeakPolarHBondContact CD1-O 3.38Å; I336-A381 HydrophobicContact CG1-CB 4.26Å; I336-A384 HydrophobicContact CD1-CB 4.12Å; I336-C400 HydrophobicContact CG2-CB 4.11Å; I336-N401 CarbonylContact C-O 3.57Å; I336-N401 WeakPolarHBondContact CA-O 3.3Å; I336-L402 HydrophobicContact CD1-CD1 4.43Å; I336-L402 HydrophobicContact CG1-CD1 3.86Å
337T95Very high81.4Confident30 Ų3064.7 Ų64.718%0.18436%0.355CS..EExtended strand (participates in β ladder)trans-99.6118.6162.3-570000107.2K335 V370 A371 N401 H403K335-T337 WeakPolarHBondContact CE-OG1 3.42Å; T337-V370 HydrophobicContact CG2-CG1 3.63Å; T337-A371 WeakPolarHBondContact CA-O 3.33Å; T337-N401 PolarHBondContact N-O 2.87Å; T337-N401 WeakPolarHBondContact O-CB 3.36Å; T337-N401 PolarHBondContact O-N 3.42Å; T337-N401 PolarHBondContact O-ND2 3.02Å; T337-H403 PolarHBondContact OG1-CE1 2.97Å; T337-H403 PolarHBondContact OG1-NE2 2.84Å
338V95.4Very high84Confident0 Ų066.9 Ų66.90%035%0.349CS..EExtended strand (participates in β ladder)trans-101.7112.8179.3-166.80000107.5I336 L341 F354 V370 A371 V373 M398I336-V338 HydrophobicContact CG2-CG2 3.91Å; V338-L341 HydrophobicContact CG1-CD2 3.67Å; V338-L341 HydrophobicContact CG1-CG 4.28Å; V338-F354 HydrophobicContact CG1-CZ 4.26Å; V338-F354 HydrophobicContact CG2-CE1 4.13Å; V338-F354 HydrophobicContact CG2-CE2 4.03Å; V338-F354 HydrophobicContact CG2-CZ 3.55Å; V338-V370 CarbonylContact O-C 3.6Å; V338-V370 VanDerWaalsContact O-CA 3.27Å; V338-V370 WeakPolarHBondContact O-CA 3.4Å; V338-A371 PolarHBondContact N-O 3Å; V338-A371 PolarHBondContact O-N 3.13Å; V338-V373 HydrophobicContact CG2-CG2 4.11Å; V338-M398 HydrophobicContact CG1-CB 4.16Å
339S94.9Very high86.3Confident28 Ų2865.7 Ų65.720%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-113.6170.3-179.957.90000111.8L341 K399 N401S339-L341 VanDerWaalsContact C-N 3.27Å; S339-L341 PolarHBondContact O-N 3.02Å; S339-K399 PolarHBondContact N-O 3.24Å; S339-K399 PolarHBondContact O-N 3.49Å; S339-K399 PolarHBondContact OG-O 3.03Å; S339-N401 PolarHBondContact OG-ND2 2.91Å
340N94.8Very high88.7Confident73 Ų7363.1 Ų63.139%0.3933%0.329SS..SBendtrans60.335.9-173.4-158.853.9000113G369 Q396 P397N340-G369 PolarHBondContact N-O 3.25Å; N340-G369 VanDerWaalsContact N-O 3.1Å; N340-Q396 WeakPolarHBondContact O-CG 3.21Å; N340-Q396 PolarHBondContact OD1-NE2 3.38Å; N340-P397 PolarHBondContact ND2-O 3.42Å
341L95.4Very high90.7Very high4 Ų461.5 Ų61.52%0.02131%0.312CS..  trans-73.7152.7167.1-57.3175.3000109.8V338 S339 I350 L365 G369 A371 L393 M398V338-L341 HydrophobicContact CG1-CD2 3.67Å; V338-L341 HydrophobicContact CG1-CG 4.28Å; S339-L341 VanDerWaalsContact C-N 3.27Å; S339-L341 PolarHBondContact O-N 3.02Å; L341-I350 HydrophobicContact CD1-CD1 3.68Å; L341-I350 HydrophobicContact CD1-CG1 4.06Å; L341-I350 HydrophobicContact CD2-CD1 3.78Å; L341-I350 HydrophobicContact CG-CD1 4.38Å; L341-L365 HydrophobicContact CD1-CD1 4.21Å; L341-G369 PolarHBondContact N-O 3.22Å; L341-G369 WeakPolarHBondContact O-CA 3.5Å; L341-A371 HydrophobicContact CD1-CB 3.66Å; L341-L393 HydrophobicContact CD2-CD2 4.4Å; L341-M398 HydrophobicContact CD2-CB 4.47Å; L341-M398 HydrophobicContact CD2-CG 3.83Å; L341-M398 HydrophobicContact CD2-SD 4.09Å
342H94.9Very high92.6Very high52 Ų5260 Ų6024%0.24130%0.3CS..  trans-75.3143.2176-177.3-114.5000111.3R344 V345 D394 Q396H342-R344 PolarHBondContact O-N 2.83Å; H342-V345 HydrophobicContact CB-CG2 4.02Å; H342-V345 WeakPolarHBondContact O-CB 3.26Å; H342-V345 WeakPolarHBondContact O-CG2 3.31Å; H342-V345 PolarHBondContact O-N 2.76Å; H342-D394 HydrophobicContact CB-CB 3.71Å; H342-D394 WeakPolarHBondContact ND1-CB 3.48Å; H342-D394 IonicContact ND1-OD2 2.84Å; H342-D394 PolarHBondContact ND1-OD2 2.92Å; H342-Q396 VanDerWaalsContact CA-OE1 3.24Å; H342-Q396 HydrophobicContact CB-CB 4.07Å
343P93.3Very high93.9Very high90 Ų9056.4 Ų56.458%0.58428%0.284SS*.THydrogen-bonded Turntrans-62.3-11-175.5-28.438000116.8V368P343-V368 HydrophobicContact CB-CG1 3.71Å; P343-V368 HydrophobicContact CG-CG1 4.33Å
344R93.4Very high94.5Very high210 Ų21055.6 Ų55.679%0.79228%0.276SS*.THydrogen-bonded Turntrans-85.9-17.4172.4-68.8-174.5171.6175-7114.1H342 S346H342-R344 PolarHBondContact O-N 2.83Å; R344-S346 PolarHBondContact O-N 3.17Å
345V94.6Very high94.7Very high7 Ų757.7 Ų57.74%0.04229%0.291CS..  trans-67.9119.5-176.7173.90000109.5H342 D349 I350 L393H342-V345 HydrophobicContact CB-CG2 4.02Å; H342-V345 WeakPolarHBondContact O-CB 3.26Å; H342-V345 WeakPolarHBondContact O-CG2 3.31Å; H342-V345 PolarHBondContact O-N 2.76Å; V345-D349 HydrophobicContact CG1-CB 4Å; V345-I350 HydrophobicContact CG1-CD1 3.81Å; V345-I350 HydrophobicContact CG1-CG1 3.75Å; V345-L393 HydrophobicContact CB-CD2 4.43Å; V345-L393 HydrophobicContact CG1-CD2 3.73Å; V345-L393 HydrophobicContact CG2-CD2 3.73Å; V345-L393 HydrophobicContact CG2-CG 3.92Å
346S95.3Very high94.7Very high46 Ų4659.5 Ų59.532%0.32231%0.307SS..  trans-81.2175.9177.7730000112.2R344 E348 D349R344-S346 PolarHBondContact O-N 3.17Å; S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact OG-N 3.06Å; S346-D349 VanDerWaalsContact CB-OD2 3.26Å; S346-D349 WeakPolarHBondContact CB-OD2 3.49Å; S346-D349 PolarHBondContact N-OD2 3.23Å; S346-D349 PolarHBondContact OG-N 3.09Å; S346-D349 VanDerWaalsContact OG-N 3.09Å; S346-D349 PolarHBondContact OG-OD2 3.41Å
347E94.6Very high94.7Very high84 Ų8460.6 Ų60.639%0.39332%0.315SS..Hα-helixtrans-66.6-31.2168.7-174.2156.6139.900111.9I350 M351 R364 L365E347-I350 PolarHBondContact O-N 3.01Å; E347-M351 WeakPolarHBondContact O-CG 3.32Å; E347-M351 PolarHBondContact O-N 3.11Å; E347-R364 VanDerWaalsContact CD-CA 3.42Å; E347-R364 VanDerWaalsContact OE2-CA 3.23Å; E347-R364 WeakPolarHBondContact OE2-CA 3.31Å; E347-L365 HydrophobicContact CB-CB 4.4Å; E347-L365 PolarHBondContact OE2-N 2.78Å
348E95.3Very high94.6Very high139 Ų13960 Ų6065%0.6531%0.314SS*.Hα-helixtrans-74.2-42-176.7-162.9151.8-146.100111.5S346 I350 M351 E352S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact OG-N 3.06Å; E348-I350 PolarHBondContact O-N 3.43Å; E348-M351 CarbonylContact O-C 3.58Å; E348-M351 WeakPolarHBondContact O-CA 3.47Å; E348-M351 WeakPolarHBondContact O-CB 3.33Å; E348-M351 PolarHBondContact O-N 3.18Å; E348-E352 PolarHBondContact O-N 3.39Å
349D94.6Very high94.5Very high67 Ų6762.6 Ų62.636%0.35834%0.336SS..Hα-helixtrans-55.2-37.8170.8-63.1-70.4000112.1V345 S346 L353V345-D349 HydrophobicContact CG1-CB 4Å; S346-D349 VanDerWaalsContact CB-OD2 3.26Å; S346-D349 WeakPolarHBondContact CB-OD2 3.49Å; S346-D349 PolarHBondContact N-OD2 3.23Å; S346-D349 PolarHBondContact OG-N 3.09Å; S346-D349 VanDerWaalsContact OG-N 3.09Å; S346-D349 PolarHBondContact OG-OD2 3.41Å; D349-L353 WeakPolarHBondContact O-CB 3.23Å; D349-L353 PolarHBondContact O-N 3Å
350I95.4Very high94.5Very high2 Ų263.5 Ų63.51%0.0134%0.339CS..Hα-helixtrans-74.4-36.4177.2-65.5-64000111.2L341 V345 E347 E348 F354 A371 V373 L393L341-I350 HydrophobicContact CD1-CD1 3.68Å; L341-I350 HydrophobicContact CD1-CG1 4.06Å; L341-I350 HydrophobicContact CD2-CD1 3.78Å; L341-I350 HydrophobicContact CG-CD1 4.38Å; V345-I350 HydrophobicContact CG1-CD1 3.81Å; V345-I350 HydrophobicContact CG1-CG1 3.75Å; E347-I350 PolarHBondContact O-N 3.01Å; E348-I350 PolarHBondContact O-N 3.43Å; I350-F354 HydrophobicContact CD1-CE2 4.39Å; I350-F354 HydrophobicContact CG2-CD2 4.08Å; I350-F354 HydrophobicContact CG2-CE2 4.49Å; I350-F354 WeakPolarHBondContact O-CB 3.3Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å; I350-F354 PolarHBondContact O-N 3.19Å; I350-F354 VanDerWaalsContact O-N 3.15Å; I350-A371 HydrophobicContact CG1-CB 4.24Å; I350-A371 HydrophobicContact CG2-CB 4.03Å; I350-V373 HydrophobicContact CG2-CG2 3.64Å; I350-L393 HydrophobicContact CD1-CD2 4.12Å
351M95Very high94.4Very high89 Ų8964 Ų6444%0.43834%0.337SS..Hα-helixtrans-62.5-51.7172.2-77.1176.850.900111.5E347 E348 L353 F354 C355 A363E347-M351 WeakPolarHBondContact O-CG 3.32Å; E347-M351 PolarHBondContact O-N 3.11Å; E348-M351 CarbonylContact O-C 3.58Å; E348-M351 WeakPolarHBondContact O-CA 3.47Å; E348-M351 WeakPolarHBondContact O-CB 3.33Å; E348-M351 PolarHBondContact O-N 3.18Å; M351-L353 PolarHBondContact O-N 3.08Å; M351-F354 PolarHBondContact O-N 3.15Å; M351-C355 WeakPolarHBondContact O-CB 3.31Å; M351-C355 PolarHBondContact O-N 3.15Å; M351-C355 PolarHBondContact O-SG 3.42Å; M351-C355 VanDerWaalsContact O-SG 3.32Å; M351-A363 HydrophobicContact CG-CB 3.51Å; M351-A363 HydrophobicContact SD-CB 4.41Å
352E94.9Very high94.3Very high133 Ų13370.3 Ų70.362%0.62136%0.361SS*.Hα-helixtrans-58.7-47.9178-69.8-164166.700112.2E348 F354 C355 V356E348-E352 PolarHBondContact O-N 3.39Å; E352-F354 PolarHBondContact O-N 3.33Å; E352-C355 PolarHBondContact O-SG 3.21Å; E352-C355 VanDerWaalsContact O-SG 3.33Å; E352-V356 WeakPolarHBondContact O-CG2 3.5Å
353L94.3Very high94.2Very high21 Ų2168.4 Ų68.411%0.1135%0.354CS..Hα-helixtrans-60.9-44.3-178176.662.6000112.1D349 M351 Y388 L393 M398D349-L353 WeakPolarHBondContact O-CB 3.23Å; D349-L353 PolarHBondContact O-N 3Å; M351-L353 PolarHBondContact O-N 3.08Å; L353-Y388 HydrophobicContact CD1-CD1 4.16Å; L353-Y388 HydrophobicContact CD1-CD2 4.28Å; L353-Y388 HydrophobicContact CD1-CE1 3.71Å; L353-Y388 HydrophobicContact CD1-CE2 3.83Å; L353-Y388 HydrophobicContact CD1-CG 4.43Å; L353-Y388 HydrophobicContact CG-CD2 4.12Å; L353-Y388 HydrophobicContact CG-CE2 3.85Å; L353-Y388 WeakPolarHBondContact O-CE2 3.11Å; L353-Y388 VanDerWaalsContact O-CZ 3.25Å; L353-Y388 PolarHBondContact O-OH 3.07Å; L353-L393 HydrophobicContact CD2-CD2 4.12Å; L353-M398 HydrophobicContact CD2-CE 3.85Å; L353-M398 HydrophobicContact CD2-SD 3.63Å
354F95.6Very high94.3Very high0 Ų068.5 Ų68.50%034%0.343CS..Hα-helixtrans-90.1-25.8-172.7-77-96.2000114.2I336 V338 I350 M351 E352 V356 C357 L360 V373 F375 A384 Y388I336-F354 HydrophobicContact CD1-CE1 4.39Å; V338-F354 HydrophobicContact CG1-CZ 4.26Å; V338-F354 HydrophobicContact CG2-CE1 4.13Å; V338-F354 HydrophobicContact CG2-CE2 4.03Å; V338-F354 HydrophobicContact CG2-CZ 3.55Å; I350-F354 HydrophobicContact CD1-CE2 4.39Å; I350-F354 HydrophobicContact CG2-CD2 4.08Å; I350-F354 HydrophobicContact CG2-CE2 4.49Å; I350-F354 WeakPolarHBondContact O-CB 3.3Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å; I350-F354 PolarHBondContact O-N 3.19Å; I350-F354 VanDerWaalsContact O-N 3.15Å; M351-F354 PolarHBondContact O-N 3.15Å; E352-F354 PolarHBondContact O-N 3.33Å; F354-V356 VanDerWaalsContact C-N 3.27Å; F354-V356 PolarHBondContact O-N 3.26Å; F354-C357 WeakPolarHBondContact O-CB 3.33Å; F354-C357 PolarHBondContact O-N 3.27Å; F354-L360 HydrophobicContact CB-CD2 4.43Å; F354-V373 HydrophobicContact CB-CG1 4.01Å; F354-V373 HydrophobicContact CD1-CG1 4.21Å; F354-V373 HydrophobicContact CD2-CG2 4.48Å; F354-V373 HydrophobicContact CG-CG1 4.16Å; F354-V373 HydrophobicContact CG-CG2 4.43Å; F354-F375 HydrophobicContact CB-CZ 4.03Å; F354-F375 HydrophobicContact CD1-CE2 4.02Å; F354-F375 AromaticContact CD1-CZ 3.93Å; F354-F375 HydrophobicContact CD1-CZ 3.93Å; F354-F375 HydrophobicContact CG-CZ 4.49Å; F354-A384 HydrophobicContact CD1-CB 3.94Å; F354-A384 HydrophobicContact CE1-CB 4.15Å; F354-Y388 HydrophobicContact CD1-CD2 4.05Å; F354-Y388 HydrophobicContact CD1-CE2 4.42Å; F354-Y388 AromaticContact CE1-CD2 3.79Å; F354-Y388 HydrophobicContact CE1-CD2 3.79Å; F354-Y388 HydrophobicContact CE2-CD2 4.31Å; F354-Y388 HydrophobicContact CG-CD2 4.42Å; F354-Y388 AromaticContact CZ-CD2 3.92Å; F354-Y388 HydrophobicContact CZ-CD2 3.92Å
355C94.8Very high94.4Very high68 Ų6861 Ų6146%0.45932%0.318SS..Hα-helixtrans-64.7-31.7178.374.60000112.5M351 E352 C357 G358 L360M351-C355 WeakPolarHBondContact O-CB 3.31Å; M351-C355 PolarHBondContact O-N 3.15Å; M351-C355 PolarHBondContact O-SG 3.42Å; M351-C355 VanDerWaalsContact O-SG 3.32Å; E352-C355 PolarHBondContact O-SG 3.21Å; E352-C355 VanDerWaalsContact O-SG 3.33Å; C355-C357 PolarHBondContact O-N 3.22Å; C355-C357 VanDerWaalsContact O-N 3.09Å; C355-G358 PolarHBondContact O-N 3.02Å; C355-L360 HydrophobicContact CB-CD1 4.02Å
356V93.6Very high94.3Very high106 Ų10664.6 Ų64.664%0.64234%0.34SS*.THydrogen-bonded Turntrans-61.2-16.8173.8177.10000112.7E352 F354E352-V356 WeakPolarHBondContact O-CG2 3.5Å; F354-V356 VanDerWaalsContact C-N 3.27Å; F354-V356 PolarHBondContact O-N 3.26Å
357C93Very high94.2Very high23 Ų2368.9 Ų68.916%0.15535%0.353CS..THydrogen-bonded Turntrans-95-11.6174.7-71.20000114.2F354 C355 F375 A384 K387 Y388F354-C357 WeakPolarHBondContact O-CB 3.33Å; F354-C357 PolarHBondContact O-N 3.27Å; C355-C357 PolarHBondContact O-N 3.22Å; C355-C357 VanDerWaalsContact O-N 3.09Å; C357-F375 HydrophobicContact CB-CE1 4.4Å; C357-F375 HydrophobicContact CB-CZ 4.44Å; C357-A384 HydrophobicContact CB-CB 3.73Å; C357-K387 VanDerWaalsContact SG-CD 3.59Å; C357-Y388 WeakPolarHBondContact SG-CE2 3.46Å
358G93.6Very high94.1Very high17 Ų1769.8 Ų69.818%0.17536%0.364CS..SBendtrans150.3174.617900000114C355 L360C355-G358 PolarHBondContact O-N 3.02Å; G358-L360 PolarHBondContact O-N 3.34Å
359A93.8Very high94Very high56 Ų5663.8 Ų63.846%0.46334%0.34SS..  trans-68.3130.3-173.500000112V376A359-V376 HydrophobicContact CB-CB 4.08Å; A359-V376 HydrophobicContact CB-CG2 3.72Å; A359-V376 WeakPolarHBondContact O-CG2 3.22Å; A359-V376 PolarHBondContact O-N 3.05Å
360L94.6Very high94Very high47 Ų4761.9 Ų61.925%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-96.2133178.5-62.6175000110.3F354 C355 G358 V373 F375F354-L360 HydrophobicContact CB-CD2 4.43Å; C355-L360 HydrophobicContact CB-CD1 4.02Å; G358-L360 PolarHBondContact O-N 3.34Å; L360-V373 HydrophobicContact CD2-CG1 3.44Å; L360-V373 VanDerWaalsContact CD2-CG1 3.44Å; L360-F375 HydrophobicContact CD2-CD1 3.81Å; L360-F375 HydrophobicContact CD2-CD2 4.2Å; L360-F375 HydrophobicContact CD2-CE1 3.6Å; L360-F375 HydrophobicContact CD2-CE2 4Å; L360-F375 HydrophobicContact CD2-CG 4.12Å; L360-F375 HydrophobicContact CD2-CZ 3.7Å
361K93.2Very high94Very high82 Ų8261.8 Ų61.836%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-81.8-34.7164.3-71.6-178.2176.21670111.2P330 E332 V374 V376P330-K361 WeakPolarHBondContact O-CE 3.39Å; P330-K361 PolarHBondContact O-NZ 3.2Å; E332-K361 PolarHBondContact O-NZ 3.42Å; K361-V374 HydrophobicContact CB-CG1 4.23Å; K361-V374 PolarHBondContact N-O 2.85Å; K361-V376 HydrophobicContact CG-CB 4.34Å; K361-V376 HydrophobicContact CG-CG2 3.62Å
362R91.9Very high94Very high137 Ų13758.5 Ų58.552%0.51731%0.313SS..EExtended strand (participates in β ladder)trans-160.6133.8178.5-173.4173.1-166.4159.69.6109.9V374R362-V374 HydrophobicContact CB-CB 4.32Å; R362-V374 PolarHBondContact N-O 3.23Å; R362-V374 PolarHBondContact O-N 2.94Å
363A94.4Very high94Very high13 Ų1352.1 Ų52.111%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-106.8156.515000000108M351 E372M351-A363 HydrophobicContact CG-CB 3.51Å; M351-A363 HydrophobicContact SD-CB 4.41Å; A363-E372 CarbonylContact C-O 3.53Å; A363-E372 WeakPolarHBondContact CA-O 3.32Å
364R94.9Very high94Very high92 Ų9252.2 Ų52.235%0.34729%0.285SS..EExtended strand (participates in β ladder)trans-160.5150.2158.257.4172174.2180-0.7112.6E347 V366 A371 E372E347-R364 VanDerWaalsContact CD-CA 3.42Å; E347-R364 VanDerWaalsContact OE2-CA 3.23Å; E347-R364 WeakPolarHBondContact OE2-CA 3.31Å; R364-V366 HydrophobicContact CG-CG2 4.29Å; R364-V366 PolarHBondContact O-N 3.36Å; R364-A371 CarbonylContact O-C 3.47Å; R364-A371 WeakPolarHBondContact O-CA 3.46Å; R364-A371 WeakPolarHBondContact O-CB 3.47Å; R364-E372 HydrophobicContact CG-CB 4.18Å; R364-E372 IonicContact CZ-OE2 2.7Å; R364-E372 PolarHBondContact N-O 2.99Å; R364-E372 IonicContact NE-OE2 2.66Å; R364-E372 PolarHBondContact NE-OE2 2.81Å; R364-E372 IonicContact NH2-OE2 3.2Å; R364-E372 PolarHBondContact NH2-OE2 3.02Å; R364-E372 PolarHBondContact O-N 2.88Å
365L95.1Very high94Very high51 Ų5152.2 Ų52.227%0.26729%0.285SS..EExtended strand (participates in β ladder)trans-80.5110.8165.5-167.664.5000108.7L341 E347 K367 A371L341-L365 HydrophobicContact CD1-CD1 4.21Å; E347-L365 HydrophobicContact CB-CB 4.4Å; E347-L365 PolarHBondContact OE2-N 2.78Å; L365-K367 VanDerWaalsContact CD1-O 3.31Å; L365-K367 WeakPolarHBondContact CD1-O 3.42Å; L365-K367 WeakPolarHBondContact CG-O 3.34Å; L365-A371 HydrophobicContact CD1-CB 4.11Å
366V93.5Very high93.9Very high84 Ų8452.2 Ų52.251%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-77.4-34-177.4178.50000111R364 V370 E372R364-V366 HydrophobicContact CG-CG2 4.29Å; R364-V366 PolarHBondContact O-N 3.36Å; V366-V370 PolarHBondContact N-O 3.42Å; V366-E372 HydrophobicContact CG2-CB 3.44Å; V366-E372 VanDerWaalsContact CG2-CB 3.44Å
367K93.1Very high93.9Very high136 Ų13653.8 Ų53.859%0.59128%0.277SS*.EExtended strand (participates in β ladder)trans-158.9161.5169.756.1178.8-179.5179.60108.5L365 G369 V370L365-K367 VanDerWaalsContact CD1-O 3.31Å; L365-K367 WeakPolarHBondContact CD1-O 3.42Å; L365-K367 WeakPolarHBondContact CG-O 3.34Å; K367-G369 PolarHBondContact O-N 2.91Å; K367-G369 VanDerWaalsContact O-N 3.15Å; K367-V370 HydrophobicContact CD-CG2 4.42Å; K367-V370 VanDerWaalsContact CE-CG2 3.43Å; K367-V370 HydrophobicContact CG-CB 3.83Å; K367-V370 HydrophobicContact CG-CG2 4.16Å; K367-V370 PolarHBondContact N-O 2.99Å; K367-V370 VanDerWaalsContact N-O 3.12Å; K367-V370 CarbonylContact O-C 3.51Å; K367-V370 PolarHBondContact O-N 2.97Å
368V91.9Very high93.8Very high103 Ų10357.3 Ų57.362%0.62429%0.29SS*.THydrogen-bonded Turntrans-50.6124.9171.4-1740000109.2P343P343-V368 HydrophobicContact CB-CG1 3.71Å; P343-V368 HydrophobicContact CG-CG1 4.33Å
369G92.1Very high93.8Very high13 Ų1361.3 Ų61.313%0.13430%0.304CS..THydrogen-bonded Turntrans85.1-4.5-176.700000117.2N340 L341 K367N340-G369 PolarHBondContact N-O 3.25Å; N340-G369 VanDerWaalsContact N-O 3.1Å; L341-G369 PolarHBondContact N-O 3.22Å; L341-G369 WeakPolarHBondContact O-CA 3.5Å; K367-G369 PolarHBondContact O-N 2.91Å; K367-G369 VanDerWaalsContact O-N 3.15Å
370V94.8Very high93.8Very high26 Ų2659.3 Ų59.316%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-143.8119.2176.5-1730000113.2T337 V338 V366 K367T337-V370 HydrophobicContact CG2-CG1 3.63Å; V338-V370 CarbonylContact O-C 3.6Å; V338-V370 VanDerWaalsContact O-CA 3.27Å; V338-V370 WeakPolarHBondContact O-CA 3.4Å; V366-V370 PolarHBondContact N-O 3.42Å; K367-V370 HydrophobicContact CD-CG2 4.42Å; K367-V370 VanDerWaalsContact CE-CG2 3.43Å; K367-V370 HydrophobicContact CG-CB 3.83Å; K367-V370 HydrophobicContact CG-CG2 4.16Å; K367-V370 PolarHBondContact N-O 2.99Å; K367-V370 VanDerWaalsContact N-O 3.12Å; K367-V370 CarbonylContact O-C 3.51Å; K367-V370 PolarHBondContact O-N 2.97Å
371A96Very high93.8Very high0 Ų057 Ų570%027%0.274CS..EExtended strand (participates in β ladder)trans-107.6157.5175.800000113.3T337 V338 L341 I350 R364 L365T337-A371 WeakPolarHBondContact CA-O 3.33Å; V338-A371 PolarHBondContact N-O 3Å; V338-A371 PolarHBondContact O-N 3.13Å; L341-A371 HydrophobicContact CD1-CB 3.66Å; I350-A371 HydrophobicContact CG1-CB 4.24Å; I350-A371 HydrophobicContact CG2-CB 4.03Å; R364-A371 CarbonylContact O-C 3.47Å; R364-A371 WeakPolarHBondContact O-CA 3.46Å; R364-A371 WeakPolarHBondContact O-CB 3.47Å; L365-A371 HydrophobicContact CD1-CB 4.11Å
372E95.1Very high93.8Very high20 Ų2055.1 Ų55.19%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-115.3125.5170.5169.8174.4-141.700109K335 A363 R364 V366 V374K335-E372 HydrophobicContact CD-CG 4.27Å; K335-E372 VanDerWaalsContact CD-OE1 3.32Å; K335-E372 WeakPolarHBondContact CD-OE1 3.43Å; K335-E372 WeakPolarHBondContact CE-OE1 3.45Å; K335-E372 HydrophobicContact CG-CG 4.4Å; K335-E372 IonicContact NZ-OE1 2.62Å; K335-E372 PolarHBondContact NZ-OE1 3.44Å; A363-E372 CarbonylContact C-O 3.53Å; A363-E372 WeakPolarHBondContact CA-O 3.32Å; R364-E372 HydrophobicContact CG-CB 4.18Å; R364-E372 IonicContact CZ-OE2 2.7Å; R364-E372 PolarHBondContact N-O 2.99Å; R364-E372 IonicContact NE-OE2 2.66Å; R364-E372 PolarHBondContact NE-OE2 2.81Å; R364-E372 IonicContact NH2-OE2 3.2Å; R364-E372 PolarHBondContact NH2-OE2 3.02Å; R364-E372 PolarHBondContact O-N 2.88Å; V366-E372 HydrophobicContact CG2-CB 3.44Å; V366-E372 VanDerWaalsContact CG2-CB 3.44Å; E372-V374 HydrophobicContact CG-CG2 4.16Å
373V95Very high93.9Very high0 Ų051 Ų510%026%0.26CS..EExtended strand (participates in β ladder)trans-127.5121.8-177.3-174.80000108.2K335 I336 V338 I350 F354 L360 F375K335-V373 CarbonylContact C-O 3.6Å; K335-V373 WeakPolarHBondContact CA-O 3.33Å; I336-V373 PolarHBondContact N-O 3.39Å; I336-V373 PolarHBondContact O-N 3.06Å; V338-V373 HydrophobicContact CG2-CG2 4.11Å; I350-V373 HydrophobicContact CG2-CG2 3.64Å; F354-V373 HydrophobicContact CB-CG1 4.01Å; F354-V373 HydrophobicContact CD1-CG1 4.21Å; F354-V373 HydrophobicContact CD2-CG2 4.48Å; F354-V373 HydrophobicContact CG-CG1 4.16Å; F354-V373 HydrophobicContact CG-CG2 4.43Å; L360-V373 HydrophobicContact CD2-CG1 3.44Å; L360-V373 VanDerWaalsContact CD2-CG1 3.44Å; V373-F375 HydrophobicContact CG1-CD2 4.17Å; V373-F375 HydrophobicContact CG1-CE2 3.65Å; V373-F375 HydrophobicContact CG1-CZ 4.24Å
374V94.5Very high93.9Very high23 Ų2350.3 Ų50.314%0.13926%0.255CS..EExtended strand (participates in β ladder)trans-118.5110.9-175.7-176.90000108.6K335 K361 R362 E372K335-V374 HydrophobicContact CB-CG2 4.33Å; K361-V374 HydrophobicContact CB-CG1 4.23Å; K361-V374 PolarHBondContact N-O 2.85Å; R362-V374 HydrophobicContact CB-CB 4.32Å; R362-V374 PolarHBondContact N-O 3.23Å; R362-V374 PolarHBondContact O-N 2.94Å; E372-V374 HydrophobicContact CG-CG2 4.16Å
375F94.9Very high93.9Very high0 Ų047.3 Ų47.30%024%0.244CC..EExtended strand (participates in β ladder)trans-84.2152.7178.9-77.5-91000112.2G333 T334 I336 F354 C357 L360 V373 R377 D380 A381 A384G333-F375 CarbonylContact C-O 3.6Å; G333-F375 WeakPolarHBondContact CA-O 3.45Å; T334-F375 PolarHBondContact N-O 3.1Å; T334-F375 VanDerWaalsContact N-O 3.08Å; T334-F375 PolarHBondContact O-N 3Å; I336-F375 HydrophobicContact CD1-CD2 4.13Å; I336-F375 HydrophobicContact CD1-CE2 3.74Å; I336-F375 HydrophobicContact CG1-CD2 4.39Å; I336-F375 HydrophobicContact CG1-CE2 4.38Å; F354-F375 HydrophobicContact CB-CZ 4.03Å; F354-F375 HydrophobicContact CD1-CE2 4.02Å; F354-F375 AromaticContact CD1-CZ 3.93Å; F354-F375 HydrophobicContact CD1-CZ 3.93Å; F354-F375 HydrophobicContact CG-CZ 4.49Å; C357-F375 HydrophobicContact CB-CE1 4.4Å; C357-F375 HydrophobicContact CB-CZ 4.44Å; L360-F375 HydrophobicContact CD2-CD1 3.81Å; L360-F375 HydrophobicContact CD2-CD2 4.2Å; L360-F375 HydrophobicContact CD2-CE1 3.6Å; L360-F375 HydrophobicContact CD2-CE2 4Å; L360-F375 HydrophobicContact CD2-CG 4.12Å; L360-F375 HydrophobicContact CD2-CZ 3.7Å; V373-F375 HydrophobicContact CG1-CD2 4.17Å; V373-F375 HydrophobicContact CG1-CE2 3.65Å; V373-F375 HydrophobicContact CG1-CZ 4.24Å; F375-R377 VanDerWaalsContact C-N 3.34Å; F375-R377 WeakPolarHBondContact CB-O 3.41Å; F375-D380 HydrophobicContact CD1-CB 3.66Å; F375-D380 HydrophobicContact CE1-CB 4.16Å; F375-D380 HydrophobicContact CG-CB 4.31Å; F375-A381 HydrophobicContact CB-CB 4.04Å; F375-A381 HydrophobicContact CD2-CB 3.73Å; F375-A381 HydrophobicContact CG-CB 4.03Å; F375-A384 HydrophobicContact CE2-CB 3.98Å; F375-A384 HydrophobicContact CZ-CB 3.71Å
376V93.6Very high93.8Very high68 Ų6853.2 Ų53.241%0.41226%0.263SS..SBendtrans-64.8-39.8170.3177.80000111A359 K361A359-V376 HydrophobicContact CB-CB 4.08Å; A359-V376 HydrophobicContact CB-CG2 3.72Å; A359-V376 WeakPolarHBondContact O-CG2 3.22Å; A359-V376 PolarHBondContact O-N 3.05Å; K361-V376 HydrophobicContact CG-CB 4.34Å; K361-V376 HydrophobicContact CG-CG2 3.62Å
377R92.4Very high93.8Very high138 Ų13854.5 Ų54.552%0.52126%0.261SS..SBendtrans-118148-175.9-54-171.6-62.4-171.96.5111.6F375 D380 A381F375-R377 VanDerWaalsContact C-N 3.34Å; F375-R377 WeakPolarHBondContact CB-O 3.41Å; R377-D380 HydrophobicContact CB-CB 4.45Å; R377-D380 IonicContact CZ-OD1 3.41Å; R377-D380 IonicContact CZ-OD2 3.33Å; R377-D380 IonicContact NE-OD1 2.8Å; R377-D380 PolarHBondContact NE-OD1 2.91Å; R377-D380 IonicContact NE-OD2 2.66Å; R377-D380 PolarHBondContact NE-OD2 2.9Å; R377-D380 IonicContact NH2-OD1 2.75Å; R377-D380 PolarHBondContact NH2-OD1 3.17Å; R377-D380 IonicContact NH2-OD2 3.15Å; R377-D380 PolarHBondContact NH2-OD2 3.27Å; R377-A381 PolarHBondContact O-N 3.33Å
378K91.6Very high93.8Very high97 Ų9748.5 Ų48.542%0.42224%0.235SC..Hα-helixtrans-73.7-31177.863.9-173.9176.7-171.30112T334 A381 V382T334-K378 HydrophobicContact CG2-CB 4.42Å; T334-K378 VanDerWaalsContact OG1-CA 3.31Å; T334-K378 WeakPolarHBondContact OG1-CA 3.27Å; T334-K378 VanDerWaalsContact OG1-CB 3.26Å; T334-K378 WeakPolarHBondContact OG1-CB 3.16Å; K378-A381 PolarHBondContact O-N 3.35Å; K378-V382 WeakPolarHBondContact O-CB 3.33Å; K378-V382 WeakPolarHBondContact O-CG2 3.43Å; K378-V382 PolarHBondContact O-N 3.37Å
379E92.8Very high93.9Very high101 Ų10145 Ų4547%0.47221%0.213SC..Hα-helixtrans-62.5-43.3179.4-6568.7-152.700111.1S383E379-S383 VanDerWaalsContact O-CB 3.3Å; E379-S383 WeakPolarHBondContact O-CB 3.3Å; E379-S383 PolarHBondContact O-N 2.91Å; E379-S383 PolarHBondContact O-OG 3.49Å
380D95.2Very high94Very high14 Ų1449.5 Ų49.58%0.07524%0.238CC..Hα-helixtrans-66.4-45.8176.8-60.8-15.4000110.2F375 R377 S383 A384F375-D380 HydrophobicContact CD1-CB 3.66Å; F375-D380 HydrophobicContact CE1-CB 4.16Å; F375-D380 HydrophobicContact CG-CB 4.31Å; R377-D380 HydrophobicContact CB-CB 4.45Å; R377-D380 IonicContact CZ-OD1 3.41Å; R377-D380 IonicContact CZ-OD2 3.33Å; R377-D380 IonicContact NE-OD1 2.8Å; R377-D380 PolarHBondContact NE-OD1 2.91Å; R377-D380 IonicContact NE-OD2 2.66Å; R377-D380 PolarHBondContact NE-OD2 2.9Å; R377-D380 IonicContact NH2-OD1 2.75Å; R377-D380 PolarHBondContact NH2-OD1 3.17Å; R377-D380 IonicContact NH2-OD2 3.15Å; R377-D380 PolarHBondContact NH2-OD2 3.27Å; D380-S383 CarbonylContact O-C 3.48Å; D380-S383 PolarHBondContact O-N 3.18Å; D380-S383 VanDerWaalsContact O-N 3.15Å; D380-A384 WeakPolarHBondContact O-CB 3.27Å; D380-A384 PolarHBondContact O-N 3.16Å
381A93.8Very high94Very high0 Ų054.3 Ų54.30%025%0.253CS..Hα-helixtrans-61.8-46177.600000113.1T334 I336 F375 R377 K378 S383 A384 Y385 L402T334-A381 HydrophobicContact CG2-CB 3.53Å; I336-A381 HydrophobicContact CD1-CB 4.19Å; I336-A381 WeakPolarHBondContact CD1-O 3.38Å; I336-A381 HydrophobicContact CG1-CB 4.26Å; F375-A381 HydrophobicContact CB-CB 4.04Å; F375-A381 HydrophobicContact CD2-CB 3.73Å; F375-A381 HydrophobicContact CG-CB 4.03Å; R377-A381 PolarHBondContact O-N 3.33Å; K378-A381 PolarHBondContact O-N 3.35Å; A381-S383 PolarHBondContact O-N 3.04Å; A381-A384 PolarHBondContact O-N 3.02Å; A381-Y385 WeakPolarHBondContact O-CB 3.47Å; A381-Y385 PolarHBondContact O-N 3.46Å; A381-L402 HydrophobicContact CB-CD1 3.91Å
382V93.4Very high93.8Very high42 Ų4257.8 Ų57.826%0.25528%0.277SS..Hα-helixtrans-63.4-31.6175.8175.60000110.8K378 R386 L402 I404K378-V382 WeakPolarHBondContact O-CB 3.33Å; K378-V382 WeakPolarHBondContact O-CG2 3.43Å; K378-V382 PolarHBondContact O-N 3.37Å; V382-R386 VanDerWaalsContact O-CG 3.31Å; V382-R386 WeakPolarHBondContact O-CG 3.21Å; V382-R386 PolarHBondContact O-N 3.07Å; V382-R386 PolarHBondContact O-NE 3.26Å; V382-L402 HydrophobicContact CB-CD2 4.44Å; V382-L402 HydrophobicContact CG2-CD2 3.69Å; V382-I404 HydrophobicContact CG2-CD1 4.33Å
383S93.7Very high93.8Very high49 Ų4958.2 Ų58.234%0.34328%0.28SS..Hα-helixtrans-78.8-41.3178.6-57.50000112.4E379 D380 A381 R386 K387E379-S383 VanDerWaalsContact O-CB 3.3Å; E379-S383 WeakPolarHBondContact O-CB 3.3Å; E379-S383 PolarHBondContact O-N 2.91Å; E379-S383 PolarHBondContact O-OG 3.49Å; D380-S383 CarbonylContact O-C 3.48Å; D380-S383 PolarHBondContact O-N 3.18Å; D380-S383 VanDerWaalsContact O-N 3.15Å; A381-S383 PolarHBondContact O-N 3.04Å; S383-R386 PolarHBondContact O-N 3.27Å; S383-R386 PolarHBondContact OG-NH2 3.18Å; S383-K387 VanDerWaalsContact O-CB 3.3Å; S383-K387 WeakPolarHBondContact O-CB 3.37Å; S383-K387 PolarHBondContact O-N 2.86Å
384A94.9Very high93.6Very high0 Ų062.6 Ų62.60%030%0.303CS..Hα-helixtrans-59.4-45.3170.300000111.5I336 F354 C357 F375 D380 A381 R386 K387 Y388I336-A384 HydrophobicContact CD1-CB 4.12Å; F354-A384 HydrophobicContact CD1-CB 3.94Å; F354-A384 HydrophobicContact CE1-CB 4.15Å; C357-A384 HydrophobicContact CB-CB 3.73Å; F375-A384 HydrophobicContact CE2-CB 3.98Å; F375-A384 HydrophobicContact CZ-CB 3.71Å; D380-A384 WeakPolarHBondContact O-CB 3.27Å; D380-A384 PolarHBondContact O-N 3.16Å; A381-A384 PolarHBondContact O-N 3.02Å; A384-R386 PolarHBondContact O-N 3.3Å; A384-K387 PolarHBondContact O-N 3.19Å; A384-Y388 WeakPolarHBondContact O-CB 3.49Å; A384-Y388 PolarHBondContact O-N 2.8Å
385Y94Very high93.5Very high28 Ų2864.7 Ų64.711%0.1133%0.329CS..Hα-helixtrans-54.5-52.1174.4-178.3-82.6000111.6A381 K387 N389 C400 L402 S411A381-Y385 WeakPolarHBondContact O-CB 3.47Å; A381-Y385 PolarHBondContact O-N 3.46Å; Y385-K387 VanDerWaalsContact C-N 3.27Å; Y385-K387 PolarHBondContact O-N 2.86Å; Y385-N389 HydrophobicContact CE1-CB 4.5Å; Y385-N389 WeakPolarHBondContact O-CB 3.09Å; Y385-N389 PolarHBondContact O-N 2.62Å; Y385-C400 HydrophobicContact CD2-CB 3.61Å; Y385-C400 HydrophobicContact CE2-CB 3.92Å; Y385-C400 WeakPolarHBondContact CE2-O 3.49Å; Y385-C400 HydrophobicContact CG-CB 4.36Å; Y385-L402 HydrophobicContact CD2-CB 3.65Å; Y385-L402 HydrophobicContact CE2-CB 4.01Å; Y385-L402 HydrophobicContact CG-CB 4.29Å; Y385-S411 VanDerWaalsContact OH-CB 3.3Å; Y385-S411 WeakPolarHBondContact OH-CB 3.45Å; Y385-S411 PolarHBondContact OH-N 3.18Å; Y385-S411 PolarHBondContact OH-OG 2.89Å
386R93.2Very high93.5Very high175 Ų17567 Ų6766%0.6634%0.34SS*.Hα-helixtrans-65.5-26179.9-72.5176.6-64.3-168.84.9113.9V382 S383 A384V382-R386 VanDerWaalsContact O-CG 3.31Å; V382-R386 WeakPolarHBondContact O-CG 3.21Å; V382-R386 PolarHBondContact O-N 3.07Å; V382-R386 PolarHBondContact O-NE 3.26Å; S383-R386 PolarHBondContact O-N 3.27Å; S383-R386 PolarHBondContact OG-NH2 3.18Å; A384-R386 PolarHBondContact O-N 3.3Å
387K93.1Very high93.5Very high111 Ų11166.7 Ų66.748%0.48334%0.339SS..Hα-helixtrans-89.7-29.9-176.9-166.9-171179.5-162.10113.4C357 S383 A384 Y385C357-K387 VanDerWaalsContact SG-CD 3.59Å; S383-K387 VanDerWaalsContact O-CB 3.3Å; S383-K387 WeakPolarHBondContact O-CB 3.37Å; S383-K387 PolarHBondContact O-N 2.86Å; A384-K387 PolarHBondContact O-N 3.19Å; Y385-K387 VanDerWaalsContact C-N 3.27Å; Y385-K387 PolarHBondContact O-N 2.86Å
388Y94.8Very high93.7Very high11 Ų1160.1 Ų60.14%0.04331%0.314CS..Hα-helixtrans-121.3-9.8-170.6-58.3-33.9000115.4L353 F354 C357 A384 T390 R391L353-Y388 HydrophobicContact CD1-CD1 4.16Å; L353-Y388 HydrophobicContact CD1-CD2 4.28Å; L353-Y388 HydrophobicContact CD1-CE1 3.71Å; L353-Y388 HydrophobicContact CD1-CE2 3.83Å; L353-Y388 HydrophobicContact CD1-CG 4.43Å; L353-Y388 HydrophobicContact CG-CD2 4.12Å; L353-Y388 HydrophobicContact CG-CE2 3.85Å; L353-Y388 WeakPolarHBondContact O-CE2 3.11Å; L353-Y388 VanDerWaalsContact O-CZ 3.25Å; L353-Y388 PolarHBondContact O-OH 3.07Å; F354-Y388 HydrophobicContact CD1-CD2 4.05Å; F354-Y388 HydrophobicContact CD1-CE2 4.42Å; F354-Y388 AromaticContact CE1-CD2 3.79Å; F354-Y388 HydrophobicContact CE1-CD2 3.79Å; F354-Y388 HydrophobicContact CE2-CD2 4.31Å; F354-Y388 HydrophobicContact CG-CD2 4.42Å; F354-Y388 AromaticContact CZ-CD2 3.92Å; F354-Y388 HydrophobicContact CZ-CD2 3.92Å; C357-Y388 WeakPolarHBondContact SG-CE2 3.46Å; A384-Y388 WeakPolarHBondContact O-CB 3.49Å; A384-Y388 PolarHBondContact O-N 2.8Å; Y388-T390 PolarHBondContact O-N 2.99Å; Y388-R391 PolarHBondContact O-N 3.38Å
389N93.8Very high93.8Very high29 Ų2959.3 Ų59.316%0.15531%0.311CS..THydrogen-bonded Turntrans-59.4137.1167-165.936.8000110.1Y385 R391 C400 S411Y385-N389 HydrophobicContact CE1-CB 4.5Å; Y385-N389 WeakPolarHBondContact O-CB 3.09Å; Y385-N389 PolarHBondContact O-N 2.62Å; N389-R391 PolarHBondContact O-N 3.41Å; N389-C400 HydrophobicContact CB-CB 4.02Å; N389-C400 PolarHBondContact OD1-N 3.29Å; N389-S411 PolarHBondContact ND2-OG 3.33Å; N389-S411 VanDerWaalsContact ND2-OG 3.13Å
390T92.4Very high93.9Very high107 Ų10754.5 Ų54.566%0.65629%0.288SS*.THydrogen-bonded Turntrans54.41.4-172.269.40000117.3Y388 M398Y388-T390 PolarHBondContact O-N 2.99Å; T390-M398 VanDerWaalsContact CA-O 3.27Å; T390-M398 WeakPolarHBondContact CA-O 3.29Å; T390-M398 PolarHBondContact N-O 3.2Å
391R94.9Very high93.8Very high128 Ų12854.8 Ų54.848%0.48329%0.29SS..  trans-68.9138.7172.3-175.7-179.8-175.5-113.6-0.5110Y388 N389 M398Y388-R391 PolarHBondContact O-N 3.38Å; N389-R391 PolarHBondContact O-N 3.41Å; R391-M398 HydrophobicContact CB-CE 3.82Å; R391-M398 HydrophobicContact CG-CE 4.16Å; R391-M398 VanDerWaalsContact O-CE 3.22Å; R391-M398 WeakPolarHBondContact O-CE 3.43Å; R391-M398 WeakPolarHBondContact O-CG 3.33Å; R391-M398 PolarHBondContact O-N 3.31Å
392C93Very high93.7Very high72 Ų7255.1 Ų55.149%0.48629%0.292SS..EExtended strand (participates in β ladder)trans-75.1137.9175.4-58.80000112.4Q396C392-Q396 WeakPolarHBondContact CA-O 3.49Å
393L93.9Very high93.6Very high30 Ų3055.3 Ų55.316%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-127.3130164.9-175.264.7000106.4L341 V345 I350 L353 G395 Q396 M398L341-L393 HydrophobicContact CD2-CD2 4.4Å; V345-L393 HydrophobicContact CB-CD2 4.43Å; V345-L393 HydrophobicContact CG1-CD2 3.73Å; V345-L393 HydrophobicContact CG2-CD2 3.73Å; V345-L393 HydrophobicContact CG2-CG 3.92Å; I350-L393 HydrophobicContact CD1-CD2 4.12Å; L353-L393 HydrophobicContact CD2-CD2 4.12Å; L393-G395 PolarHBondContact O-N 3.23Å; L393-Q396 PolarHBondContact N-O 2.86Å; L393-Q396 PolarHBondContact O-N 3.15Å; L393-Q396 VanDerWaalsContact O-O 3.13Å; L393-M398 HydrophobicContact CB-CE 4.15Å; L393-M398 HydrophobicContact CB-CG 3.91Å; L393-M398 HydrophobicContact CB-SD 3.74Å; L393-M398 HydrophobicContact CD2-SD 3.93Å; L393-M398 HydrophobicContact CG-SD 4.46Å
394D92.6Very high93.2Very high92 Ų9255.3 Ų55.349%0.49229%0.285SS..THydrogen-bonded Turntrans49.228.7-168.4-67.3-0.3000115H342 Q396H342-D394 HydrophobicContact CB-CB 3.71Å; H342-D394 WeakPolarHBondContact ND1-CB 3.48Å; H342-D394 IonicContact ND1-OD2 2.84Å; H342-D394 PolarHBondContact ND1-OD2 2.92Å; D394-Q396 VanDerWaalsContact C-N 3.28Å; D394-Q396 PolarHBondContact O-N 3.47Å
395G92.1Very high92.1Very high66 Ų6663.4 Ų63.468%0.6832%0.323SS*.THydrogen-bonded Turntrans82.3-7.7-175.500000115.3L393L393-G395 PolarHBondContact O-N 3.23Å
396Q93.4Very high90.7Very high50 Ų5065.8 Ų65.823%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-96.9129177.7-163.9167.7-20.400111.3N340 H342 C392 L393 D394 M398N340-Q396 WeakPolarHBondContact O-CG 3.21Å; N340-Q396 PolarHBondContact OD1-NE2 3.38Å; H342-Q396 VanDerWaalsContact CA-OE1 3.24Å; H342-Q396 HydrophobicContact CB-CB 4.07Å; C392-Q396 WeakPolarHBondContact CA-O 3.49Å; L393-Q396 PolarHBondContact N-O 2.86Å; L393-Q396 PolarHBondContact O-N 3.15Å; L393-Q396 VanDerWaalsContact O-O 3.13Å; D394-Q396 VanDerWaalsContact C-N 3.28Å; D394-Q396 PolarHBondContact O-N 3.47Å; Q396-M398 PolarHBondContact O-N 3.03Å
397P95Very high89.4Confident60 Ų6061.7 Ų61.739%0.3935%0.351SS..EExtended strand (participates in β ladder)trans-75.7117.4-176.428.7-33.8000111.9N340N340-P397 PolarHBondContact ND2-O 3.42Å
398M95.6Very high88.5Confident1 Ų159.4 Ų59.41%0.00535%0.346CS..PPolyproline II helixtrans-69.2135.7-179.1-57179.6-79.300111.5V338 L341 L353 T390 R391 L393 Q396V338-M398 HydrophobicContact CG1-CB 4.16Å; L341-M398 HydrophobicContact CD2-CB 4.47Å; L341-M398 HydrophobicContact CD2-CG 3.83Å; L341-M398 HydrophobicContact CD2-SD 4.09Å; L353-M398 HydrophobicContact CD2-CE 3.85Å; L353-M398 HydrophobicContact CD2-SD 3.63Å; T390-M398 VanDerWaalsContact CA-O 3.27Å; T390-M398 WeakPolarHBondContact CA-O 3.29Å; T390-M398 PolarHBondContact N-O 3.2Å; R391-M398 HydrophobicContact CB-CE 3.82Å; R391-M398 HydrophobicContact CG-CE 4.16Å; R391-M398 VanDerWaalsContact O-CE 3.22Å; R391-M398 WeakPolarHBondContact O-CE 3.43Å; R391-M398 WeakPolarHBondContact O-CG 3.33Å; R391-M398 PolarHBondContact O-N 3.31Å; L393-M398 HydrophobicContact CB-CE 4.15Å; L393-M398 HydrophobicContact CB-CG 3.91Å; L393-M398 HydrophobicContact CB-SD 3.74Å; L393-M398 HydrophobicContact CD2-SD 3.93Å; L393-M398 HydrophobicContact CG-SD 4.46Å; Q396-M398 PolarHBondContact O-N 3.03Å
399K94.6Very high87.2Confident79 Ų7962 Ų6234%0.34336%0.359SS..EExtended strand (participates in β ladder)trans-104103.9171.1-174165.9-171.4163.90109.6S339 N401 D412S339-K399 PolarHBondContact N-O 3.24Å; S339-K399 PolarHBondContact O-N 3.49Å; S339-K399 PolarHBondContact OG-O 3.03Å; K399-N401 PolarHBondContact O-ND2 3.07Å; K399-D412 IonicContact NZ-OD2 3.41Å; K399-D412 PolarHBondContact NZ-OD2 3.13Å
400C94.3Very high86.1Confident1 Ų162 Ų621%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-80.7143.4173.6-67.70000109.8I336 Y385 N389I336-C400 HydrophobicContact CG2-CB 4.11Å; Y385-C400 HydrophobicContact CD2-CB 3.61Å; Y385-C400 HydrophobicContact CE2-CB 3.92Å; Y385-C400 WeakPolarHBondContact CE2-O 3.49Å; Y385-C400 HydrophobicContact CG-CB 4.36Å; N389-C400 HydrophobicContact CB-CB 4.02Å; N389-C400 PolarHBondContact OD1-N 3.29Å
401N93.5Very high84.4Confident19 Ų1961 Ų6110%0.10236%0.358CS..EExtended strand (participates in β ladder)trans-135.7112.5177.2-50.1-92.5000107.6I336 T337 S339 K399 H403 V408 T410I336-N401 CarbonylContact C-O 3.57Å; I336-N401 WeakPolarHBondContact CA-O 3.3Å; T337-N401 PolarHBondContact N-O 2.87Å; T337-N401 WeakPolarHBondContact O-CB 3.36Å; T337-N401 PolarHBondContact O-N 3.42Å; T337-N401 PolarHBondContact O-ND2 3.02Å; S339-N401 PolarHBondContact OG-ND2 2.91Å; K399-N401 PolarHBondContact O-ND2 3.07Å; N401-H403 PolarHBondContact O-CE1 3.49Å; N401-H403 PolarHBondContact O-ND1 3.03Å; N401-V408 HydrophobicContact CB-CG1 4.13Å; N401-T410 HydrophobicContact CB-CG2 4.36Å; N401-T410 WeakPolarHBondContact OD1-CG2 3.49Å
402L92.4Very high82.2Confident8 Ų860.4 Ų60.44%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-92.1135.3-173-176.564.6000110.6T334 I336 A381 V382 Y385 I404 V408 I409T334-L402 HydrophobicContact CG2-CD1 3.72Å; I336-L402 HydrophobicContact CD1-CD1 4.43Å; I336-L402 HydrophobicContact CG1-CD1 3.86Å; A381-L402 HydrophobicContact CB-CD1 3.91Å; V382-L402 HydrophobicContact CB-CD2 4.44Å; V382-L402 HydrophobicContact CG2-CD2 3.69Å; Y385-L402 HydrophobicContact CD2-CB 3.65Å; Y385-L402 HydrophobicContact CE2-CB 4.01Å; Y385-L402 HydrophobicContact CG-CB 4.29Å; L402-I404 HydrophobicContact CD2-CD1 3.92Å; L402-I404 HydrophobicContact CD2-CG1 4.26Å; L402-I404 HydrophobicContact CG-CD1 4.33Å; L402-I404 HydrophobicContact CG-CG1 4.11Å; L402-V408 CarbonylContact O-C 3.56Å; L402-I409 PolarHBondContact N-O 2.96Å; L402-I409 PolarHBondContact O-N 2.84Å
403H89.7Confident80.1Confident45 Ų4561.5 Ų61.521%0.20836%0.362CS..EExtended strand (participates in β ladder)trans-114.2109.3-177.8-54.659.5000108.3K335 T337 N401K335-H403 HydrophobicContact CB-CB 4.17Å; K335-H403 HydrophobicContact CG-CB 4.45Å; K335-H403 WeakPolarHBondContact O-CB 3.46Å; K335-H403 PolarHBondContact O-N 3.15Å; K335-H403 PolarHBondContact O-ND1 3.16Å; T337-H403 PolarHBondContact OG1-CE1 2.97Å; T337-H403 PolarHBondContact OG1-NE2 2.84Å; N401-H403 PolarHBondContact O-CE1 3.49Å; N401-H403 PolarHBondContact O-ND1 3.03Å
404I85.6Confident77.8Confident49 Ų4964.4 Ų64.425%0.25138%0.383SS..EExtended strand (participates in β ladder)trans-121124.3175.2-61.9-175.2000107.5T334 V382 L402 G406 T407 I409T334-I404 HydrophobicContact CG2-CG1 4.35Å; V382-I404 HydrophobicContact CG2-CD1 4.33Å; L402-I404 HydrophobicContact CD2-CD1 3.92Å; L402-I404 HydrophobicContact CD2-CG1 4.26Å; L402-I404 HydrophobicContact CG-CD1 4.33Å; L402-I404 HydrophobicContact CG-CG1 4.11Å; I404-G406 VanDerWaalsContact C-N 3.28Å; I404-G406 PolarHBondContact O-N 3.31Å; I404-T407 PolarHBondContact N-O 3.44Å; I404-T407 VanDerWaalsContact N-O 3.09Å; I404-T407 PolarHBondContact O-N 2.94Å; I404-I409 HydrophobicContact CB-CD1 4.11Å; I404-I409 HydrophobicContact CD1-CD1 3.82Å; I404-I409 HydrophobicContact CG1-CD1 4.03Å
405Q71.6Confident76Confident171 Ų17165.5 Ų65.580%0.79939%0.388SS*.THydrogen-bonded Turntrans5244.2173.5-61.6165.550.700112.9T407Q405-T407 PolarHBondContact O-N 3.46Å
406G64.9Low74.1Confident77 Ų7769.7 Ų69.779%0.79439%0.394SS*.THydrogen-bonded Turntrans80.8-22.7-178.200000115.5I404I404-G406 VanDerWaalsContact C-N 3.28Å; I404-G406 PolarHBondContact O-N 3.31Å
407T65.8Low72.2Confident90 Ų9073.1 Ų73.155%0.55241%0.413SS*.EExtended strand (participates in β ladder)trans-83127.9179.7-64.10000111.7I404 Q405 I409I404-T407 PolarHBondContact N-O 3.44Å; I404-T407 VanDerWaalsContact N-O 3.09Å; I404-T407 PolarHBondContact O-N 2.94Å; Q405-T407 PolarHBondContact O-N 3.46Å; T407-I409 PolarHBondContact O-N 3.25Å
408V74.3Confident70.1Confident62 Ų6277.7 Ų77.738%0.37642%0.423SS..EExtended strand (participates in β ladder)trans-82.6102.7172-166.50000109.5N401 L402 T410N401-V408 HydrophobicContact CB-CG1 4.13Å; L402-V408 CarbonylContact O-C 3.56Å; V408-T410 HydrophobicContact CG1-CG2 3.78Å; V408-T410 PolarHBondContact O-N 3.4Å
409I68.3Low67.9Low65 Ų6584.2 Ų84.233%0.33346%0.457SS..EExtended strand (participates in β ladder)trans-81.594.5173.2-34179.6000108.1L402 I404 T407L402-I409 PolarHBondContact N-O 2.96Å; L402-I409 PolarHBondContact O-N 2.84Å; I404-I409 HydrophobicContact CB-CD1 4.11Å; I404-I409 HydrophobicContact CD1-CD1 3.82Å; I404-I409 HydrophobicContact CG1-CD1 4.03Å; T407-I409 PolarHBondContact O-N 3.25Å
410T69.6Low65.4Low30 Ų3084.1 Ų84.118%0.18447%0.466CS..  trans-95.513816768.40000109N401 V408 D412N401-T410 HydrophobicContact CB-CG2 4.36Å; N401-T410 WeakPolarHBondContact OD1-CG2 3.49Å; V408-T410 HydrophobicContact CG1-CG2 3.78Å; V408-T410 PolarHBondContact O-N 3.4Å; T410-D412 PolarHBondContact O-N 3.39Å
411S57.3Low63.1Low87 Ų8789.8 Ų89.861%0.60850%0.496SS*.THydrogen-bonded Turntrans-69.1-0174.753.30000114Y385 N389Y385-S411 VanDerWaalsContact OH-CB 3.3Å; Y385-S411 WeakPolarHBondContact OH-CB 3.45Å; Y385-S411 PolarHBondContact OH-N 3.18Å; Y385-S411 PolarHBondContact OH-OG 2.89Å; N389-S411 PolarHBondContact ND2-OG 3.33Å; N389-S411 VanDerWaalsContact ND2-OG 3.13Å
412D49.1Very low60.8Low114 Ų11494.4 Ų94.461%0.6153%0.525SS*.THydrogen-bonded Turntrans-1042.7-167.7-146.519.2000112.1K399 T410K399-D412 IonicContact NZ-OD2 3.41Å; K399-D412 PolarHBondContact NZ-OD2 3.13Å; T410-D412 PolarHBondContact O-N 3.39Å
413Q49.3Very low58.5Low95 Ų95100.2 Ų100.244%0.44456%0.564SS.*SBendtrans-134.9137.6172.2-66.5-163-24.800110.8I415Q413-I415 PolarHBondContact O-N 2.82Å
414P44.6Very low56Low91 Ų91102 Ų10259%0.59160%0.595SS**  trans-68.2124.4177.828.2-33.5000110.2L416 L417P414-L416 PolarHBondContact O-N 3.24Å; P414-L417 PolarHBondContact O-N 3.16Å; P414-L417 VanDerWaalsContact O-N 3.15Å
415I55.4Low53.8Low115 Ų115104.6 Ų104.659%0.5962%0.623SS**G310 helixtrans-54.7-26.8-177-62.1171.6000112.1Q413 L417 R418 L419Q413-I415 PolarHBondContact O-N 2.82Å; I415-L417 VanDerWaalsContact C-N 3.35Å; I415-L417 PolarHBondContact O-N 3.42Å; I415-R418 PolarHBondContact O-N 2.93Å; I415-L419 HydrophobicContact CG2-CD1 4.12Å
416L52.3Low52.3Low154 Ų154100.4 Ų100.481%0.80663%0.625SS**G310 helixtrans-64-29.3-179.1-59.9176.5000114.7P414P414-L416 PolarHBondContact O-N 3.24Å
417L53.6Low50.8Low123 Ų123102.9 Ų102.964%0.64463%0.631SS**G310 helixtrans-91.61.8-176.6-162.263.6000113.4P414 I415 S420P414-L417 PolarHBondContact O-N 3.16Å; P414-L417 VanDerWaalsContact O-N 3.15Å; I415-L417 VanDerWaalsContact C-N 3.35Å; I415-L417 PolarHBondContact O-N 3.42Å; L417-S420 PolarHBondContact O-OG 3.04Å
418R51.2Low49.5Very low155 Ų155103.9 Ų103.959%0.58564%0.641SS**SBendtrans-113.7-0.2179.4-82.4-81.317666.72.1113.7I415I415-R418 PolarHBondContact O-N 2.93Å
419L48.5Very low47.9Very low139 Ų139107.8 Ų107.873%0.72867%0.665SS**SBendtrans-102.5-6.1174.6-65.5172.7000112.8I415I415-L419 HydrophobicContact CG2-CD1 4.12Å
420S42.2Very low46.6Very low76 Ų76114.1 Ų114.153%0.53169%0.691SS.*SBendtrans-87.3-31.7174.442.90000113.6L417L417-S420 PolarHBondContact O-OG 3.04Å
421D45Very low45.2Very low121 Ų121122.4 Ų122.465%0.64772%0.724SS**  trans-115.169.1-162.5-66.7-82.7000113.1
422T46.4Very low44.4Very low115 Ų115125.3 Ų125.371%0.70673%0.733SS**  trans-129.5115160.648.90000109.9
423P43.6Very low43.7Very low131 Ų131123.6 Ų123.685%0.85174%0.742SS**PPolyproline II helixtrans-66.7134.7175.228.4-33.7000110.1A425P423-A425 PolarHBondContact O-N 3.39Å
424G37.8Very low43.4Very low83 Ų83126.8 Ų126.886%0.85676%0.761SS**PPolyproline II helixtrans-71.5121.1-167.700000114.6
425A38.6Very low43.5Very low103 Ų103128.1 Ų128.185%0.85177%0.77SS**PPolyproline II helixtrans-91.6119.9150.900000107.9P423P423-A425 PolarHBondContact O-N 3.39Å
426G39.7Very low43.2Very low82 Ų82128.1 Ų128.185%0.84578%0.777SS**PPolyproline II helixtrans-82.1157.6-166.300000115.4
427S34.3Very low42.4Very low130 Ų130126.1 Ų126.191%0.90978%0.776SS**  trans-144.7150.8156.6-170.50000109.4
428S38.5Very low41.9Very low110 Ų110127.8 Ų127.877%0.76979%0.785SS**  trans-115130.8-161.354.10000113.8
429T40.3Very low41.1Very low144 Ų144125.5 Ų125.588%0.88379%0.793SS**  trans-137.5126.816051.60000109.8
430K42Very low40.9Very low199 Ų199130.4 Ų130.487%0.86580%0.801SS**  trans-68.2144.9-178.3-55175-178.2-179.70111.6
431K39.2Very low41Very low204 Ų204132.4 Ų132.489%0.88781%0.813SS**  trans-152.9121.8141.2-166.6173-178.2-179.10110.6
432D40.8Very low40.8Very low148 Ų148132.5 Ų132.579%0.79182%0.823SS**  trans-75.5149.5-177.6-53.6-98000112.3
433G35Very low40.2Very low78 Ų78130.3 Ų130.380%0.80482%0.823SS**  trans168.584.8-177.900000113.2
434L41.5Very low39.9Very low161 Ų161133.9 Ų133.984%0.84383%0.829SS**  trans-82.7169.3174.1-72.9172.8000111.5
435P48.5Very low39.8Very low119 Ų119140.8 Ų140.877%0.77383%0.829SS**  cis-126.3163.85.540.6-27000115.9
436P48.7Very low39.6Very low115 Ų115140.8 Ų140.875%0.74782%0.822SS**  trans-83.1151165.135.1-33.7000112
437S34.4Very low39.5Very low112 Ų112142 Ų14278%0.78382%0.818SS**  trans-147.8165.1167.2-167.60000110.9
438L44.3Very low39.7Very low158 Ų158141.5 Ų141.583%0.82781%0.814SS**SBendtrans69.251.3-179.1-51-175.2000116.6
439S34.7Very low39.7Very low107 Ų107144.9 Ų144.975%0.74882%0.818SS**  30.6107.3121.3-55.40000121.1
440R42.6Very low40.2Very low242 Ų242142.8 Ų142.891%0.91381%0.807SS**  trans70.3164.5136-74.5-174.8175.1-170.2-0.9119
441P44.8Very low40.1Very low118 Ų118139 Ų13977%0.76680%0.801SS**  cis-111.5149.7-2.137.9-27.6000115.3
442S41.5Very low40.9Very low124 Ų124133.9 Ų133.987%0.86780%0.796SS**  trans-76.5127.6162.951.10000110.2
443G34.4Very low41.7Very low69 Ų69135.6 Ų135.671%0.71180%0.8SS**  trans-151.53.6-161.600000121.7
444Q35.6Very low43.4Very low205 Ų205136.2 Ų136.296%0.95879%0.787SS**  trans-179.1176.7148.1-107.6-176.3-80.900113.1
445R35.9Very low45.3Very low229 Ų229131.8 Ų131.886%0.86477%0.765SS**  trans-132.8150.3-169.5-163.5-173.2-168.5-169.54.7110.2
446S35.6Very low46.5Very low102 Ų102130.3 Ų130.371%0.71376%0.755SS**  trans91.8150160.4-510000120.1
447S37.3Very low47.4Very low109 Ų109131.6 Ų131.676%0.76275%0.751SS**  trans73.9118.2163.958.70000121.7
448S37.7Very low49.5Very low118 Ų118129.5 Ų129.583%0.82573%0.734SS**  trans57.4133.4144.943.50000123.3
449Q39.8Very low51Low182 Ų182125.9 Ų125.985%0.8572%0.715SS**  trans-50169.1156.9-99-179.4-71.600114.4
450P50.8Low52.7Low99 Ų99125.4 Ų125.464%0.64370%0.703SS**  cis-134.9-177.98.940.9-23.7000116.6
451T38.7Very low54Low121 Ų121120.1 Ų120.174%0.74269%0.687SS**  trans66.9113.8155.4-430000118.5E453T451-E453 PolarHBondContact O-N 2.63Å; T451-E453 VanDerWaalsContact O-N 3.13Å
452A56.9Low55.2Low96 Ų96118.5 Ų118.579%0.79368%0.684SS**  trans-79.185.7161.100000110V454A452-V454 PolarHBondContact O-N 2.77Å
453E56Low56.8Low184 Ų184118.4 Ų118.486%0.8667%0.672SS**  trans-70.9112.5170.3-173.3167.9-132.800109.2T451 D455T451-E453 PolarHBondContact O-N 2.63Å; T451-E453 VanDerWaalsContact O-N 3.13Å; E453-D455 PolarHBondContact O-N 3.11Å
454V72.3Confident58.5Low90 Ų90122.7 Ų122.755%0.54567%0.672SS.*  trans-82.1115.2-180-176.70000108.7A452 T458 I459A452-V454 PolarHBondContact O-N 2.77Å; V454-T458 HydrophobicContact CG1-CG2 4.45Å; V454-I459 HydrophobicContact CB-CD1 4.38Å; V454-I459 HydrophobicContact CB-CG1 4.48Å; V454-I459 HydrophobicContact CG1-CD1 4.3Å; V454-I459 HydrophobicContact CG1-CG1 3.86Å
455D81.1Confident59.9Low68 Ų68120.3 Ų120.336%0.36466%0.658SS.*  trans-48.5131.1-179.4143.161.2000112.3E453 Q457 T458 I459E453-D455 PolarHBondContact O-N 3.11Å; D455-Q457 PolarHBondContact O-N 3.04Å; D455-Q457 WeakPolarHBondContact OD1-CB 3.39Å; D455-Q457 PolarHBondContact OD1-N 2.91Å; D455-T458 WeakPolarHBondContact O-CB 3.37Å; D455-T458 PolarHBondContact O-N 3.44Å; D455-T458 VanDerWaalsContact OD2-CB 3.26Å; D455-T458 WeakPolarHBondContact OD2-CB 3.12Å; D455-T458 PolarHBondContact OD2-N 3.04Å; D455-T458 PolarHBondContact OD2-OG1 3.43Å; D455-I459 PolarHBondContact O-N 3.33Å; D455-I459 VanDerWaalsContact O-N 3.16Å
456P73.7Confident60.2Low89 Ų89115.2 Ų115.258%0.57866%0.658SS**Hα-helixtrans-62.8-27.4-17825.7-35000113.3I459 L460P456-I459 PolarHBondContact O-N 3.36Å; P456-L460 WeakPolarHBondContact O-CB 3.44Å; P456-L460 VanDerWaalsContact O-CG 3.27Å; P456-L460 WeakPolarHBondContact O-CG 3.44Å; P456-L460 PolarHBondContact O-N 3.36Å
457Q66.6Low60.5Low142 Ų142116.9 Ų116.966%0.66466%0.664SS**Hα-helixtrans-67.4-37.4174-59.2-167.82.400111.5D455 L460 K461D455-Q457 PolarHBondContact O-N 3.04Å; D455-Q457 WeakPolarHBondContact OD1-CB 3.39Å; D455-Q457 PolarHBondContact OD1-N 2.91Å; Q457-L460 PolarHBondContact O-N 2.84Å; Q457-K461 WeakPolarHBondContact O-CB 3.26Å; Q457-K461 PolarHBondContact O-N 3.19Å
458T79.6Confident60.6Low68 Ų68116.3 Ų116.342%0.41767%0.666SS.*Hα-helixtrans-65-40.7174.5-64.50000111.2V454 D455 K461 A462V454-T458 HydrophobicContact CG1-CG2 4.45Å; D455-T458 WeakPolarHBondContact O-CB 3.37Å; D455-T458 PolarHBondContact O-N 3.44Å; D455-T458 VanDerWaalsContact OD2-CB 3.26Å; D455-T458 WeakPolarHBondContact OD2-CB 3.12Å; D455-T458 PolarHBondContact OD2-N 3.04Å; D455-T458 PolarHBondContact OD2-OG1 3.43Å; T458-K461 PolarHBondContact O-N 3.37Å; T458-A462 WeakPolarHBondContact O-CB 3.27Å; T458-A462 PolarHBondContact O-N 3.49Å
459I74.7Confident60.6Low82 Ų82119.7 Ų119.742%0.42167%0.669SS.*Hα-helixtrans-62.2-49.9173.4-60.1174.9000110.7V454 D455 P456 K461 A462 L463V454-I459 HydrophobicContact CB-CD1 4.38Å; V454-I459 HydrophobicContact CB-CG1 4.48Å; V454-I459 HydrophobicContact CG1-CD1 4.3Å; V454-I459 HydrophobicContact CG1-CG1 3.86Å; D455-I459 PolarHBondContact O-N 3.33Å; D455-I459 VanDerWaalsContact O-N 3.16Å; P456-I459 PolarHBondContact O-N 3.36Å; I459-K461 VanDerWaalsContact C-N 3.32Å; I459-K461 PolarHBondContact O-N 3.15Å; I459-A462 PolarHBondContact O-N 3.38Å; I459-L463 HydrophobicContact CG2-CD1 3.82Å; I459-L463 HydrophobicContact CG2-CG 4.4Å; I459-L463 WeakPolarHBondContact O-CB 3.46Å; I459-L463 WeakPolarHBondContact O-CG 3.36Å; I459-L463 PolarHBondContact O-N 2.98Å
460L70.7Confident60.6Low97 Ų97116.6 Ų116.651%0.50867%0.667SS.*Hα-helixtrans-60-41.3176.8-71.9167.7000112.1P456 Q457 A462 L463 F464P456-L460 WeakPolarHBondContact O-CB 3.44Å; P456-L460 VanDerWaalsContact O-CG 3.27Å; P456-L460 WeakPolarHBondContact O-CG 3.44Å; P456-L460 PolarHBondContact O-N 3.36Å; Q457-L460 PolarHBondContact O-N 2.84Å; L460-A462 VanDerWaalsContact C-N 3.32Å; L460-A462 PolarHBondContact O-N 3.25Å; L460-L463 PolarHBondContact O-N 3.36Å; L460-F464 HydrophobicContact CD2-CD2 4.01Å; L460-F464 HydrophobicContact CD2-CE2 3.84Å; L460-F464 WeakPolarHBondContact O-CD2 3.47Å; L460-F464 PolarHBondContact O-N 3.25Å
461K70.7Confident59.8Low130 Ų130118.4 Ų118.457%0.56568%0.677SS**Hα-helixtrans-70.3-27.4-179.5-163.1164.465.8-165.70112.5Q457 T458 I459 K465Q457-K461 WeakPolarHBondContact O-CB 3.26Å; Q457-K461 PolarHBondContact O-N 3.19Å; T458-K461 PolarHBondContact O-N 3.37Å; I459-K461 VanDerWaalsContact C-N 3.32Å; I459-K461 PolarHBondContact O-N 3.15Å; K461-K465 HydrophobicContact CD-CD 4.32Å; K461-K465 HydrophobicContact CG-CD 3.6Å; K461-K465 HydrophobicContact CG-CG 4.17Å; K461-K465 WeakPolarHBondContact O-CB 3.5Å
462A69.6Low59.8Low85 Ų85118.3 Ų118.370%0.70268%0.681SS**Hα-helixtrans-78.1-38.3170.400000112.8T458 I459 L460T458-A462 WeakPolarHBondContact O-CB 3.27Å; T458-A462 PolarHBondContact O-N 3.49Å; I459-A462 PolarHBondContact O-N 3.38Å; L460-A462 VanDerWaalsContact C-N 3.32Å; L460-A462 PolarHBondContact O-N 3.25Å
463L75.9Confident58.9Low121 Ų121120.5 Ų120.563%0.63468%0.684SS**Hα-helixtrans-73.7-35.3-178.9-73.4172.5000114I459 L460I459-L463 HydrophobicContact CG2-CD1 3.82Å; I459-L463 HydrophobicContact CG2-CG 4.4Å; I459-L463 WeakPolarHBondContact O-CB 3.46Å; I459-L463 WeakPolarHBondContact O-CG 3.36Å; I459-L463 PolarHBondContact O-N 2.98Å; L460-L463 PolarHBondContact O-N 3.36Å
464F69.4Low58.1Low159 Ų159117.5 Ų117.570%0.69768%0.679SS**Hα-helixtrans-117-3.1-165.8-64.4-71.8000116L460 S466L460-F464 HydrophobicContact CD2-CD2 4.01Å; L460-F464 HydrophobicContact CD2-CE2 3.84Å; L460-F464 WeakPolarHBondContact O-CD2 3.47Å; L460-F464 PolarHBondContact O-N 3.25Å; F464-S466 PolarHBondContact O-N 3.09Å
465K63.9Low56.1Low155 Ų155122 Ų12267%0.67469%0.694SS**  trans-97.266.8175.4-71.2-164.669.1-174.60114K461K461-K465 HydrophobicContact CD-CD 4.32Å; K461-K465 HydrophobicContact CG-CD 3.6Å; K461-K465 HydrophobicContact CG-CG 4.17Å; K461-K465 WeakPolarHBondContact O-CB 3.5Å
466S42Very low54.1Low122 Ų122122.9 Ų122.985%0.85371%0.71SS**SBendtrans-16162.1158.6-840000114.4F464F464-S466 PolarHBondContact O-N 3.09Å
467T43.4Very low52.9Low137 Ų137123.9 Ų123.984%0.8472%0.717SS**  trans-174.8111.8135.6179.70000111.2
468A39.9Very low51.7Low98 Ų98122.1 Ų122.181%0.8172%0.721SS**  trans-158.489.7162.700000105.8
469Q37.4Very low49.9Very low188 Ų188125 Ų12588%0.87974%0.743SS**  trans-77.6136.1-176.2-170.4170.2-1.700109.9
470S38.9Very low48.4Very low117 Ų117129.6 Ų129.682%0.81876%0.763SS**  trans-68.2135.5-171-43.80000113.5
471T34.9Very low46.7Very low138 Ų138131 Ų13185%0.84778%0.775SS**  trans-133121.1157.352.10000109.4
472S38.9Very low45.2Very low118 Ų118130.5 Ų130.583%0.82578%0.784SS**  trans-93.4132.4179.250.70000111.5
473T36.8Very low44.1Very low142 Ų142130.2 Ų130.287%0.87178%0.781SS**  trans-144.6149.2161-45.90000110.1
474T39.1Very low42.5Very low122 Ų122133.9 Ų133.975%0.74879%0.793SS**  trans-75.8169.6-164-36.90000114.6
475E31.1Very low41.5Very low185 Ų185137.3 Ų137.386%0.86480%0.801SS**  trans87159.8149.6-107.4169.7141.100120.9
476A38.4Very low40.7Very low85 Ų85137.5 Ų137.570%0.70281%0.808SS**  trans-165.8-179.4-170.400000107.7
477P49Very low41.2Very low111 Ų111140.6 Ų140.672%0.72181%0.806SS**  cis-123.6-178-16.936.5-19.7000112.7
478S42Very low41.4Very low105 Ų105145.5 Ų145.573%0.73482%0.824SS**  trans43.6118.4150.161.10000121.3
479S41.5Very low41.5Very low128 Ų128147.9 Ų147.990%0.89583%0.825SS**  trans-149.8151141.5-840000111
480Q43.1Very low41.7Very low179 Ų179145.7 Ų145.784%0.83682%0.822SS**  trans-98177.7-179.5-63.5177.1-32.100111.1
481T35Very low41.8Very low125 Ų125147.3 Ų147.377%0.76782%0.822SS**  trans76.3137.9157.2-49.40000113.3
482T39.1Very low42.3Very low120 Ų120147.9 Ų147.974%0.73682%0.821SS**  cis-133.7162.816.3-31.90000111.4
483A46.5Very low42.5Very low79 Ų79149.8 Ų149.865%0.65382%0.821SS**  trans-68.4162.3159.700000111.5
484F42.4Very low42.8Very low199 Ų199150.3 Ų150.387%0.87382%0.817SS**  -153.6137.3122.4-95.3-62.5000111.5
485R47.3Very low43.1Very low230 Ų230152.3 Ų152.387%0.86882%0.822SS**  trans-112.8111.2175.7166.1-169.2166.9-174.4-3.5107.6
486I47.6Very low44Very low160 Ų160149.8 Ų149.882%0.82182%0.819SS**  trans-126139.4161.8-60.2-176.8000107.6
487K51.9Low44.5Very low186 Ų186155.2 Ų155.281%0.80983%0.829SS**  trans-147.379.3-173.7-177.5-144.8172.3-175.40110
488I48.6Very low44.1Very low240 Ų240159.2 Ų159.2100%1.23184%0.838SS**  trans-139.40142.6-50.7-177000105.3

Retrieved 488 of 488 residues in 182.6 ms (Link to these results)