A0A3Q0KH90_SCHMA Loading...

Putative bhlhzip transcription factor max/bigmax

AlphaFold DB , UniProt , Accession A0A3Q0KH90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 449 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
1M54.4Low56.3Low195 Ų195127.3 Ų127.396%0.96165%0.651SS**  0-74.10-71.3168.7179.700112.7R3 C4 L5M1-R3 PolarHBondContact O-N 3.1Å; M1-R3 VanDerWaalsContact O-N 3.11Å; M1-C4 WeakPolarHBondContact O-CA 3.49Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.41Å; M1-C4 PolarHBondContact O-N 3.05Å; M1-L5 PolarHBondContact O-N 3.29Å
2A53.3Low56.3Low77 Ų77122.6 Ų122.664%0.63665%0.646SS**Hα-helixtrans-46.6-46.7-171.900000116.4C4 L5 N6A2-C4 VanDerWaalsContact C-N 3.26Å; A2-C4 PolarHBondContact O-N 3.03Å; A2-L5 PolarHBondContact O-N 3.07Å; A2-N6 PolarHBondContact O-N 3.23Å; A2-N6 VanDerWaalsContact O-N 3.16Å
3R60Low56.2Low234 Ų234125.5 Ų125.588%0.88366%0.657SS**Hα-helixtrans-61-29.7177.2-64.6-175.9-174162.51.6114.3M1M1-R3 PolarHBondContact O-N 3.1Å; M1-R3 VanDerWaalsContact O-N 3.11Å
4C57Low55.7Low73 Ų73126.8 Ų126.849%0.49366%0.657SS.*Hα-helixtrans-77.4-40.8179.5-175.90000111.1M1 A2 N6 S7 Y8M1-C4 WeakPolarHBondContact O-CA 3.49Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.41Å; M1-C4 PolarHBondContact O-N 3.05Å; A2-C4 VanDerWaalsContact C-N 3.26Å; A2-C4 PolarHBondContact O-N 3.03Å; C4-N6 PolarHBondContact O-N 3.03Å; C4-S7 PolarHBondContact O-N 2.88Å; C4-Y8 PolarHBondContact O-N 3.42Å
5L58.1Low55.5Low122 Ų122130.6 Ų130.664%0.63967%0.671SS**Hα-helixtrans-63.7-40.2175.7-65.2173.2000112.3M1 A2 S7 Y8 A9M1-L5 PolarHBondContact O-N 3.29Å; A2-L5 PolarHBondContact O-N 3.07Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.27Å; L5-Y8 PolarHBondContact O-N 3.2Å; L5-Y8 VanDerWaalsContact O-N 3.16Å; L5-A9 PolarHBondContact O-N 3.23Å
6N54.9Low55.4Low99 Ų99129.7 Ų129.753%0.52966%0.663SS.*Hα-helixtrans-60.2-38.3174.8-88.732.5000112.7A2 C4 Y8 A9 Q10A2-N6 PolarHBondContact O-N 3.23Å; A2-N6 VanDerWaalsContact O-N 3.16Å; C4-N6 PolarHBondContact O-N 3.03Å; N6-Y8 PolarHBondContact O-N 3.02Å; N6-A9 PolarHBondContact O-N 3.19Å; N6-Q10 WeakPolarHBondContact O-CB 3.24Å; N6-Q10 WeakPolarHBondContact O-CG 3.32Å; N6-Q10 PolarHBondContact O-N 2.92Å
7S60Low55.4Low82 Ų82130.8 Ų130.857%0.57366%0.664SS**Hα-helixtrans-64.1-29.1178-167.90000112.8C4 L5 K11C4-S7 PolarHBondContact O-N 2.88Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.27Å; S7-K11 WeakPolarHBondContact O-CB 3.44Å
8Y54.7Low55.5Low179 Ų179133.2 Ų133.270%0.70267%0.665SS**Hα-helixtrans-78.2-44.3175-153.3-88.9000110.9C4 L5 N6 Q10 K11 A12C4-Y8 PolarHBondContact O-N 3.42Å; L5-Y8 PolarHBondContact O-N 3.2Å; L5-Y8 VanDerWaalsContact O-N 3.16Å; N6-Y8 PolarHBondContact O-N 3.02Å; Y8-Q10 PolarHBondContact O-N 3.02Å; Y8-K11 PolarHBondContact O-N 3.13Å; Y8-A12 WeakPolarHBondContact O-CB 3.45Å; Y8-A12 PolarHBondContact O-N 3.23Å
9A57.1Low55.7Low57 Ų57132.8 Ų132.847%0.47166%0.661SS.*Hα-helixtrans-65.4-35.1179.400000113.7L5 N6 M13L5-A9 PolarHBondContact O-N 3.23Å; N6-A9 PolarHBondContact O-N 3.19Å; A9-M13 WeakPolarHBondContact O-CG 3.23Å
10Q53.5Low55.6Low142 Ų142136.1 Ų136.166%0.66467%0.674SS**Hα-helixtrans-80.1-28.4180-68.3-179.1-89.900113N6 Y8N6-Q10 WeakPolarHBondContact O-CB 3.24Å; N6-Q10 WeakPolarHBondContact O-CG 3.32Å; N6-Q10 PolarHBondContact O-N 2.92Å; Y8-Q10 PolarHBondContact O-N 3.02Å
11K55.8Low55.6Low140 Ų140136.1 Ų136.161%0.60968%0.677SS**Hα-helixtrans-80-25.8177.2-153179.2179.2-172.60112.5S7 Y8 M13 E140S7-K11 WeakPolarHBondContact O-CB 3.44Å; Y8-K11 PolarHBondContact O-N 3.13Å; K11-M13 PolarHBondContact O-N 2.92Å; K11-E140 IonicContact NZ-OE1 3.71Å; K11-E140 PolarHBondContact NZ-OE1 3.41Å
12A56.8Low55.8Low71 Ų71132.5 Ų132.559%0.58767%0.666SS**THydrogen-bonded Turntrans-76.62.5174.300000114.9Y8Y8-A12 WeakPolarHBondContact O-CB 3.45Å; Y8-A12 PolarHBondContact O-N 3.23Å
13M54.7Low56.2Low160 Ų160137.1 Ų137.179%0.78868%0.68SS**THydrogen-bonded Turntrans-115.72.7-179.5-66.4-67-56.700113.2A9 K11 E15A9-M13 WeakPolarHBondContact O-CG 3.23Å; K11-M13 PolarHBondContact O-N 2.92Å; M13-E15 VanDerWaalsContact C-N 3.31Å; M13-E15 PolarHBondContact O-N 2.96Å
14H49.1Very low56.2Low144 Ų144132.4 Ų132.467%0.66767%0.672SS**  trans-95.366.6171.6-146.5-81.9000109E16H14-E16 IonicContact CE1-OE1 3.65Å; H14-E16 PolarHBondContact CE1-OE1 3.39Å; H14-E16 IonicContact ND1-OE1 2.84Å; H14-E16 PolarHBondContact ND1-OE1 3.43Å; H14-E16 PolarHBondContact O-N 3.09Å; H14-E16 VanDerWaalsContact O-N 3.11Å
15E53.4Low56.3Low184 Ų184137.9 Ų137.986%0.8669%0.69SS**  trans-76.495176.3-167.1144.2-140.800107.9M13 H17M13-E15 VanDerWaalsContact C-N 3.31Å; M13-E15 PolarHBondContact O-N 2.96Å; E15-H17 PolarHBondContact O-N 2.95Å
16E53.9Low56.5Low116 Ų116139.3 Ų139.354%0.54270%0.699SS.*  trans-55.6123.9176.2-66.4-67.6138.500109.7H14 Y18H14-E16 IonicContact CE1-OE1 3.65Å; H14-E16 PolarHBondContact CE1-OE1 3.39Å; H14-E16 IonicContact ND1-OE1 2.84Å; H14-E16 PolarHBondContact ND1-OE1 3.43Å; H14-E16 PolarHBondContact O-N 3.09Å; H14-E16 VanDerWaalsContact O-N 3.11Å; E16-Y18 VanDerWaalsContact C-N 3.28Å; E16-Y18 HydrophobicContact CB-CD2 4.09Å; E16-Y18 HydrophobicContact CB-CE2 3.87Å; E16-Y18 WeakPolarHBondContact O-CD2 3.27Å; E16-Y18 PolarHBondContact O-N 3.29Å
17H54.2Low56.8Low149 Ų149142.5 Ų142.569%0.6972%0.715SS**  trans-71.485173.9-172.4-90.5000108.9E15 E19E15-H17 PolarHBondContact O-N 2.95Å; H17-E19 IonicContact CE1-OE1 3.72Å; H17-E19 PolarHBondContact CE1-OE1 2.89Å; H17-E19 IonicContact CE1-OE2 3.94Å; H17-E19 PolarHBondContact CE1-OE2 3.15Å; H17-E19 IonicContact ND1-OE1 2.71Å; H17-E19 PolarHBondContact ND1-OE1 2.85Å; H17-E19 IonicContact ND1-OE2 3.61Å; H17-E19 PolarHBondContact O-N 3.47Å
18Y58.6Low56.9Low174 Ų174144.9 Ų144.968%0.68272%0.721SS**  trans-68.8108.8168.8-79.2-86.5000108.4E16 E20E16-Y18 VanDerWaalsContact C-N 3.28Å; E16-Y18 HydrophobicContact CB-CD2 4.09Å; E16-Y18 HydrophobicContact CB-CE2 3.87Å; E16-Y18 WeakPolarHBondContact O-CD2 3.27Å; E16-Y18 PolarHBondContact O-N 3.29Å; Y18-E20 PolarHBondContact O-N 2.78Å
19E57.9Low57.4Low126 Ų126144.3 Ų144.359%0.58973%0.73SS**  trans-54.5130.5171.8-54.5-6014800109.9H17 D21H17-E19 IonicContact CE1-OE1 3.72Å; H17-E19 PolarHBondContact CE1-OE1 2.89Å; H17-E19 IonicContact CE1-OE2 3.94Å; H17-E19 PolarHBondContact CE1-OE2 3.15Å; H17-E19 IonicContact ND1-OE1 2.71Å; H17-E19 PolarHBondContact ND1-OE1 2.85Å; H17-E19 IonicContact ND1-OE2 3.61Å; H17-E19 PolarHBondContact O-N 3.47Å; E19-D21 PolarHBondContact O-N 2.94Å
20E54Low57.7Low198 Ų198147.8 Ų147.893%0.92574%0.741SS**  trans-80.754.8176.8-67.7-170.9124.200111.2Y18Y18-E20 PolarHBondContact O-N 2.78Å
21D56.1Low57.9Low136 Ų136148.1 Ų148.173%0.72775%0.747SS**  trans-98.274.5-178.8-80.4-33.6000112.2E19E19-D21 PolarHBondContact O-N 2.94Å
22V59.7Low58.1Low119 Ų119147.7 Ų147.772%0.72176%0.756SS**  trans-164.981.8153.1-99.10000111.5D24V22-D24 VanDerWaalsContact C-N 3.26Å; V22-D24 WeakPolarHBondContact CG1-OD2 3.45Å; V22-D24 PolarHBondContact O-N 3.01Å
23D59.9Low58.2Low174 Ų174152 Ų15293%0.9377%0.769SS**  trans-80.973158.2-80.6-40000109.4
24D61Low58.4Low136 Ų136147.1 Ų147.173%0.72776%0.761SS**  trans-108.919177.7-86.4-35.1000112.6V22 D26V22-D24 VanDerWaalsContact C-N 3.26Å; V22-D24 WeakPolarHBondContact CG1-OD2 3.45Å; V22-D24 PolarHBondContact O-N 3.01Å; D24-D26 PolarHBondContact O-N 3.45Å
25E60Low58.5Low187 Ų187148.9 Ų148.987%0.87476%0.762SS**  trans-89.577.6169.8-71.4-166.9-163.700110.8
26D61.2Low58.8Low153 Ų153149.5 Ų149.582%0.81877%0.765SS**  trans-165.941.5163.4-106.6-6.6000112.6D24D24-D26 PolarHBondContact O-N 3.45Å
27L60.6Low59Low165 Ų165147.2 Ų147.286%0.86477%0.773SS**  trans-100.881.1163.6-73.3-177.5000110D29L27-D29 PolarHBondContact O-N 3.36Å
28D62.8Low59.1Low133 Ų133146.4 Ų146.471%0.71177%0.773SS**  trans-65.1114.7160.7-80.6-43000108.6D30D28-D30 HydrophobicContact CB-CB 4.44Å; D28-D30 PolarHBondContact O-N 3.42Å
29D64.4Low58.7Low166 Ų166143 Ų14389%0.88877%0.774SS**  trans-69.861.2164.1-77.8-48.2000109.1L27 D31L27-D29 PolarHBondContact O-N 3.36Å; D29-D31 PolarHBondContact O-N 3.48Å
30D63.5Low58.7Low131 Ų131143.9 Ų143.970%0.70178%0.783SS**  trans-71.2118.1-176.9-127.14000109.5D28 V32D28-D30 HydrophobicContact CB-CB 4.44Å; D28-D30 PolarHBondContact O-N 3.42Å; D30-V32 PolarHBondContact O-N 2.9Å; D30-V32 VanDerWaalsContact O-N 3.11Å
31D57.4Low58.8Low148 Ų148145 Ų14579%0.79178%0.781SS**  trans-41.5109.2-177.2-66.3-61.2000113.5D29D29-D31 PolarHBondContact O-N 3.48Å
32V61Low59Low131 Ų131146.3 Ų146.379%0.79479%0.788SS**  trans-114.779.3162.4-175.90000109.1D30 G34D30-V32 PolarHBondContact O-N 2.9Å; D30-V32 VanDerWaalsContact O-N 3.11Å; V32-G34 PolarHBondContact O-N 3.3Å
33D57.9Low59Low161 Ų161149.4 Ų149.486%0.86179%0.794SS**  trans-7153.8161.555-24.8000111
34G59.2Low58.9Low59 Ų59148.9 Ų148.961%0.60879%0.792SS**  trans-11748.5-169.600000114.1V32V32-G34 PolarHBondContact O-N 3.3Å
35Y52.8Low58.6Low180 Ų180149.6 Ų149.671%0.70680%0.795SS**  trans-133.458.9172.8-160-103.8000113L38Y35-L38 VanDerWaalsContact OH-CD1 3.23Å; Y35-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y35-L38 WeakPolarHBondContact OH-CG 3.42Å
36E58Low58.4Low197 Ų197147.4 Ų147.492%0.92179%0.788SS**  trans-77.9145.7148.6-64.5-170.1156.800108.9
37G58.4Low57.9Low68 Ų68145.8 Ų145.870%0.70179%0.786SS**  trans116.227.4162.900000119.4
38L57.8Low57.2Low132 Ų132141.3 Ų141.369%0.69178%0.779SS**  trans-131.664.3153.6-80.3-165.8000112.3Y35Y35-L38 VanDerWaalsContact OH-CD1 3.23Å; Y35-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y35-L38 WeakPolarHBondContact OH-CG 3.42Å
39S50.1Low56.3Low102 Ų102140.3 Ų140.371%0.71378%0.783SS**  trans-112.991.6143.1580000106.3
40D57Low55.3Low145 Ų145137 Ų13778%0.77577%0.773SS**  trans-66146.6176.3-141.6-18.4000109.3D42D40-D42 PolarHBondContact O-N 2.68Å
41Y56.1Low54.4Low222 Ų222134.3 Ų134.387%0.87178%0.776SS**  trans-80.5105.9-163.2-71.2-103.1000111.7
42D59.7Low54.1Low164 Ų164137.2 Ų137.288%0.87778%0.777SS**  trans-106.138.3-179.9-160.724.2000112.2D40D40-D42 PolarHBondContact O-N 2.68Å
43E59.5Low53.1Low184 Ų184134.2 Ų134.286%0.8677%0.773SS**  trans-157.875.8-175.8-134.8167-161.200113.2
44D57.6Low52.8Low163 Ų163131.8 Ų131.887%0.87277%0.768SS**  trans-159.375.6163.8-131.2-13000113
45D56.5Low52.1Low150 Ų150136.1 Ų136.180%0.80277%0.772SS**SBendtrans-152.3117.6155.6-132.6-16.6000113.8
46I55.4Low51.6Low141 Ų141132.1 Ų132.172%0.72377%0.771SS**  trans59.778.8164.2-35.2-173.7000118.8
47P50.1Low51.2Low120 Ų120131.1 Ų131.178%0.77976%0.764SS**  trans-69.7135.7144.431.5-32.7000110.4
48G45.2Very low50.4Low70 Ų70131.7 Ų131.772%0.72277%0.77SS**SBendtrans-72.5131.5-178.400000114.3
49S45.2Very low49.8Very low113 Ų113133 Ų13379%0.7978%0.777SS**SBendtrans64.191.8161.6-177.60000118.8
50S42.5Very low49.5Very low96 Ų96132.6 Ų132.667%0.67178%0.78SS**  trans45.787.4130.5-162.60000117.8
51G44.2Very low48.8Very low74 Ų74129.4 Ų129.476%0.76378%0.782SS**  trans-147.1120.7172.200000112.3
52Y51.3Low48.6Very low209 Ų209124.7 Ų124.782%0.8278%0.781SS**  trans-107.7126.6-163.79.9-94.7000113.4
53G41.7Very low47.9Very low68 Ų68123.4 Ų123.470%0.70177%0.774SS**  trans151.3122.2172.600000109.9
54S49.7Very low47.2Very low110 Ų110118.8 Ų118.877%0.76978%0.777SS**  cis49.8103.945-166.40000110.2
55H45.7Very low46.9Very low150 Ų150119.5 Ų119.569%0.69477%0.772SS**  -154.4141.665.631-88000109.8F57H55-F57 HydrophobicContact CB-CE2 3.94Å; H55-F57 HydrophobicContact CB-CZ 3.77Å
56S42.9Very low46.4Very low97 Ų97118.5 Ų118.568%0.67878%0.775SS**  75.7158.652.9-157.30000114.7
57F48.8Very low46.1Very low175 Ų175116.6 Ų116.677%0.76878%0.781SS**  trans58.7126-172.38-78.7000115.8H55H55-F57 HydrophobicContact CB-CE2 3.94Å; H55-F57 HydrophobicContact CB-CZ 3.77Å
58G41.5Very low46.1Very low80 Ų80117.5 Ų117.583%0.82578%0.779SS**  cis104.6103.32.700000113
59N44.8Very low46.5Very low159 Ų159122 Ų12285%0.8579%0.786SS**  trans-153.2135.4166.6-170.419.1000111.1
60A45.2Very low46.9Very low94 Ų94128 Ų12878%0.77779%0.791SS**  trans-132.8131.4177.800000110.5
61G41.4Very low47.5Very low78 Ų78135.4 Ų135.480%0.80480%0.804SS**  trans83.4110.716900000116.4
62S50.8Low47.8Very low123 Ų123139.9 Ų139.986%0.8681%0.805SS**  trans-156.2153.8149-152.10000110.4G64S62-G64 PolarHBondContact O-N 2.76Å
63D46.7Very low47.7Very low137 Ų137140.8 Ų140.873%0.73381%0.807SS**  trans-65.8129.3-170.7-73.3-71.9000113.8K65D63-K65 PolarHBondContact O-N 3.28Å
64G44.5Very low48Very low88 Ų88143.4 Ų143.491%0.90782%0.815SS**  trans-69.786.8173.900000113S62S62-G64 PolarHBondContact O-N 2.76Å
65K51.6Low48Very low177 Ų177146.8 Ų146.877%0.7782%0.822SS**  trans-130.2120.8172.8-77.4175.1-179.4160.40112.5D63D63-K65 PolarHBondContact O-N 3.28Å
66C45.7Very low48.3Very low129 Ų129145 Ų14587%0.87283%0.826SS**  trans56.599.6158.5-157.60000118
67A49.5Very low48.7Very low102 Ų102149.9 Ų149.984%0.84384%0.839SS**  trans-144.545.4162.800000111.7
68D48.7Very low48.6Very low139 Ų139145.1 Ų145.174%0.74384%0.839SS**  trans-70.3177164.7-150.2-31.9000110.1
69L53.8Low48.8Very low165 Ų165144.6 Ų144.686%0.86482%0.822SS**SBendtrans75.131173.6-46.3178.6000117.9
70R53.2Low49Very low238 Ų238141.8 Ų141.890%0.89882%0.822SS**  trans-131.816.8169.4-138.1-179.4-173.6172.63.4118.4
71R56.3Low49.5Very low251 Ų251142.7 Ų142.795%0.94782%0.817SS**  trans-121.948.8172.3-68.3-170.7-177-98.54.2113.6
72Q50.5Low50Low169 Ų169148.2 Ų148.279%0.7982%0.815SS**  trans-114.1141.3160.8-73.3-163.66.700110.6
73R48.2Very low50.1Low227 Ų227147.2 Ų147.286%0.85781%0.807SS**  trans64.892.9171.6-53.9174.4-166.3-121.8-0.8116
74S47.7Very low50.4Low123 Ų123145.2 Ų145.286%0.8680%0.799SS**  -150.2104.7120.2-95.30000108.7
75I50.9Low50.9Low181 Ų181146.9 Ų146.993%0.92878%0.783SS**  trans-80.2115.6166.340.9169.2000107.6
76S50.7Low51.4Low112 Ų112140.8 Ų140.878%0.78377%0.767SS**  trans-146.5130.3174.2-169.90000108.6G78S76-G78 PolarHBondContact O-N 2.79Å
77E51.1Low52.5Low201 Ų201136.6 Ų136.694%0.93975%0.745SS**  trans-70119.4179-62.5164.4128.700108.7
78G47.5Very low53.8Low74 Ų74136.6 Ų136.676%0.76373%0.727SS**  trans174.425.1-169.500000119.3S76S76-G78 PolarHBondContact O-N 2.79Å
79S46.3Very low55.3Low69 Ų69134 Ų13448%0.48371%0.713SS.*  trans-158.371165.2-141.90000115.1V81 Y82S79-V81 PolarHBondContact O-N 2.97Å; S79-V81 VanDerWaalsContact O-N 3.11Å; S79-Y82 WeakPolarHBondContact OG-CD2 3.49Å
80A49.2Very low56.9Low101 Ų101131.8 Ų131.884%0.83570%0.703SS**THydrogen-bonded Turntrans-75.818.9169.600000113.5
81V55.5Low58.8Low112 Ų112128.1 Ų128.168%0.67969%0.689SS**THydrogen-bonded Turntrans-108.8-26.7-169.8-174.30000112.3S79 C83S79-V81 PolarHBondContact O-N 2.97Å; S79-V81 VanDerWaalsContact O-N 3.11Å; V81-C83 PolarHBondContact O-N 3.22Å
82Y50.9Low60.6Low194 Ų194124.3 Ų124.376%0.76167%0.674SS**THydrogen-bonded Turntrans-82.916.3177.8-76.3-74.5000114.8S79S79-Y82 WeakPolarHBondContact OG-CD2 3.49Å
83C52.7Low62.7Low102 Ų102120.8 Ų120.869%0.68966%0.661SS**THydrogen-bonded Turntrans-107.58.7-177.8-63.70000114.6V81V81-C83 PolarHBondContact O-N 3.22Å
84V54.6Low65Low95 Ų95115.7 Ų115.758%0.57665%0.646SS**SBendtrans-90-55.9175.1-176.90000110.7A86 G87V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 2.98Å; V84-G87 PolarHBondContact O-N 2.85Å
85E54.1Low67.3Low123 Ų123115.7 Ų115.758%0.57563%0.633SS**Hα-helixtrans-51.6-43.9-178.2-51.3-47.3113.500113.6G87 E88 D89E85-G87 PolarHBondContact O-N 3.4Å; E85-G87 VanDerWaalsContact O-N 3.13Å; E85-E88 WeakPolarHBondContact O-CA 3.3Å; E85-E88 WeakPolarHBondContact O-CB 3.3Å; E85-E88 PolarHBondContact O-N 2.7Å; E85-D89 PolarHBondContact O-N 2.11Å
86A61.4Low69.6Low50 Ų50109.7 Ų109.741%0.41360%0.603SS.*Hα-helixtrans-58-30.7179.800000113.3V84 N90V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 2.98Å; A86-N90 WeakPolarHBondContact O-CB 3.31Å; A86-N90 PolarHBondContact O-N 3.03Å; A86-N90 PolarHBondContact O-OD1 3.49Å
87G70.6Confident71.8Confident40 Ų40109.8 Ų109.841%0.41259%0.59SS.*Hα-helixtrans-73.6-29.3175.300000113.5V84 E85 R91V84-G87 PolarHBondContact O-N 2.85Å; E85-G87 PolarHBondContact O-N 3.4Å; E85-G87 VanDerWaalsContact O-N 3.13Å; G87-R91 PolarHBondContact O-N 2.93Å
88E75Confident74.1Confident102 Ų102104.6 Ų104.648%0.47757%0.569SS.*Hα-helixtrans-76.4-44.6175.1-61.4-91.411500110.3E85 R91 R92E85-E88 WeakPolarHBondContact O-CA 3.3Å; E85-E88 WeakPolarHBondContact O-CB 3.3Å; E85-E88 PolarHBondContact O-N 2.7Å; E88-R91 WeakPolarHBondContact O-CB 3.49Å; E88-R91 PolarHBondContact O-N 2.78Å; E88-R91 VanDerWaalsContact O-N 3.1Å; E88-R91 IonicContact OE1-CZ 3.84Å; E88-R91 IonicContact OE1-NH1 2.59Å; E88-R91 PolarHBondContact OE1-NH1 3.1Å; E88-R91 IonicContact OE1-NH2 3.52Å; E88-R92 PolarHBondContact O-N 3.27Å
89D80.1Confident76.5Confident85 Ų85103.4 Ų103.446%0.45554%0.543SS..Hα-helixtrans-60-47.1174.4-78.2-32.1000111.6E85 R91 R92 D93E85-D89 PolarHBondContact O-N 2.11Å; D89-R91 PolarHBondContact O-N 2.99Å; D89-R92 PolarHBondContact O-N 3.19Å; D89-R92 VanDerWaalsContact O-N 3.15Å; D89-D93 WeakPolarHBondContact O-CB 3.34Å; D89-D93 PolarHBondContact O-N 3.04Å
90N88.7Confident79Confident119 Ų119106.3 Ų106.364%0.63654%0.544SS*.Hα-helixtrans-59.3-33174.4-84.8134000112.8A86 H94A86-N90 WeakPolarHBondContact O-CB 3.31Å; A86-N90 PolarHBondContact O-N 3.03Å; A86-N90 PolarHBondContact O-OD1 3.49Å; N90-H94 VanDerWaalsContact O-CB 3.28Å; N90-H94 WeakPolarHBondContact O-CB 3.3Å; N90-H94 PolarHBondContact O-N 3.15Å; N90-H94 VanDerWaalsContact O-N 3.07Å
91R92.1Very high81.3Confident160 Ų160109 Ų10960%0.60454%0.537SS*.Hα-helixtrans-71-45.1174.7-172.1-171-64.7135.43.6111.4G87 E88 D89 H94 H95G87-R91 PolarHBondContact O-N 2.93Å; E88-R91 WeakPolarHBondContact O-CB 3.49Å; E88-R91 PolarHBondContact O-N 2.78Å; E88-R91 VanDerWaalsContact O-N 3.1Å; E88-R91 IonicContact OE1-CZ 3.84Å; E88-R91 IonicContact OE1-NH1 2.59Å; E88-R91 PolarHBondContact OE1-NH1 3.1Å; E88-R91 IonicContact OE1-NH2 3.52Å; D89-R91 PolarHBondContact O-N 2.99Å; R91-H94 PolarHBondContact O-N 3.02Å; R91-H95 WeakPolarHBondContact O-CB 3.47Å; R91-H95 PolarHBondContact O-N 2.93Å
92R93.9Very high83.4Confident172 Ų172110.5 Ų110.565%0.64953%0.53SS*.Hα-helixtrans-61.3-46.1177.4174.9176.8-87.1163.9-7.4111.2E88 D89 H95 N96E88-R92 PolarHBondContact O-N 3.27Å; D89-R92 PolarHBondContact O-N 3.19Å; D89-R92 VanDerWaalsContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 3.29Å; R92-N96 WeakPolarHBondContact O-CB 2.88Å; R92-N96 VanDerWaalsContact O-CG 3.22Å; R92-N96 PolarHBondContact O-N 2.83Å; R92-N96 PolarHBondContact O-ND2 3.12Å
93D95.5Very high85.7Confident94 Ų94107.8 Ų107.850%0.50352%0.518SS..Hα-helixtrans-67.2-40177.1-93.3-16.1000113.1D89 H95 N96 Q97D89-D93 WeakPolarHBondContact O-CB 3.34Å; D89-D93 PolarHBondContact O-N 3.04Å; D93-H95 VanDerWaalsContact C-N 3.35Å; D93-H95 PolarHBondContact O-N 3.32Å; D93-N96 PolarHBondContact O-N 3.28Å; D93-Q97 VanDerWaalsContact O-CB 3.28Å; D93-Q97 WeakPolarHBondContact O-CB 3.35Å; D93-Q97 PolarHBondContact O-N 3.35Å
94H95.8Very high87.8Confident120 Ų120105.5 Ų105.556%0.55651%0.507SS*.Hα-helixtrans-62.1-43.4174.8-174.857.6000111.7N90 R91 Q97 L98N90-H94 VanDerWaalsContact O-CB 3.28Å; N90-H94 WeakPolarHBondContact O-CB 3.3Å; N90-H94 PolarHBondContact O-N 3.15Å; N90-H94 VanDerWaalsContact O-N 3.07Å; R91-H94 PolarHBondContact O-N 3.02Å; H94-Q97 PolarHBondContact O-N 2.96Å; H94-L98 WeakPolarHBondContact O-CG 3.42Å; H94-L98 PolarHBondContact O-N 3.49Å
95H97.7Very high89.9Confident123 Ų123104.9 Ų104.957%0.56951%0.507SS*.Hα-helixtrans-60.5-49.2173.9178.178.4000111.9R91 R92 D93 Q97 L98 E99R91-H95 WeakPolarHBondContact O-CB 3.47Å; R91-H95 PolarHBondContact O-N 2.93Å; R92-H95 PolarHBondContact O-N 3.29Å; D93-H95 VanDerWaalsContact C-N 3.35Å; D93-H95 PolarHBondContact O-N 3.32Å; H95-Q97 VanDerWaalsContact C-N 3.28Å; H95-Q97 PolarHBondContact O-N 2.94Å; H95-L98 PolarHBondContact O-N 3.49Å; H95-E99 PolarHBondContact O-N 2.99Å
96N97.7Very high92.1Very high56 Ų56101.8 Ų101.830%0.29949%0.494SS..Hα-helixtrans-56.6-41.5176-75.2-26.2000111.9R92 D93 E99 R100R92-N96 WeakPolarHBondContact O-CB 2.88Å; R92-N96 VanDerWaalsContact O-CG 3.22Å; R92-N96 PolarHBondContact O-N 2.83Å; R92-N96 PolarHBondContact O-ND2 3.12Å; D93-N96 PolarHBondContact O-N 3.28Å; N96-E99 PolarHBondContact O-N 2.88Å; N96-R100 VanDerWaalsContact O-CG 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.49Å; N96-R100 PolarHBondContact O-N 3.41Å
97Q98Very high93.8Very high113 Ų113105.8 Ų105.853%0.52850%0.502SS..Hα-helixtrans-69.3-39.3179.4-169.665.7-500112.6D93 H94 H95 K101D93-Q97 VanDerWaalsContact O-CB 3.28Å; D93-Q97 WeakPolarHBondContact O-CB 3.35Å; D93-Q97 PolarHBondContact O-N 3.35Å; H94-Q97 PolarHBondContact O-N 2.96Å; H95-Q97 VanDerWaalsContact C-N 3.28Å; H95-Q97 PolarHBondContact O-N 2.94Å; Q97-K101 PolarHBondContact O-N 3.07Å
98L98.3Very high95.1Very high92 Ų92107.3 Ų107.348%0.48250%0.503SS..Hα-helixtrans-63.7-43.5172.8-72.5175.9000111.6H94 H95 K101 R102H94-L98 WeakPolarHBondContact O-CG 3.42Å; H94-L98 PolarHBondContact O-N 3.49Å; H95-L98 PolarHBondContact O-N 3.49Å; L98-K101 WeakPolarHBondContact O-CB 3.48Å; L98-K101 PolarHBondContact O-N 3.34Å; L98-R102 PolarHBondContact O-N 3.01Å
99E98.4Very high96.2Very high50 Ų50105.5 Ų105.523%0.23450%0.502CS..Hα-helixtrans-73.6-28.5179.7-178.151.2-152.100112.7H95 N96 R102 R103H95-E99 PolarHBondContact O-N 2.99Å; N96-E99 PolarHBondContact O-N 2.88Å; E99-R102 IonicContact OE1-NH1 2.71Å; E99-R102 PolarHBondContact OE1-NH1 2.71Å; E99-R102 WeakPolarHBondContact OE2-CD 3.28Å; E99-R102 IonicContact OE2-CZ 3.43Å; E99-R102 IonicContact OE2-NE 2.76Å; E99-R102 IonicContact OE2-NH1 3.36Å; E99-R102 PolarHBondContact OE2-NH1 2.91Å; E99-R103 WeakPolarHBondContact O-CB 3.33Å; E99-R103 WeakPolarHBondContact O-CG 3.33Å; E99-R103 PolarHBondContact O-N 3.07Å; E99-R103 PolarHBondContact O-NE 2.96Å; E99-R103 VanDerWaalsContact O-NE 3.17Å; E99-R103 VanDerWaalsContact OE1-CG 3.3Å; E99-R103 WeakPolarHBondContact OE1-CG 3.37Å; E99-R103 IonicContact OE1-NE 3.55Å
100R98.4Very high97.1Very high130 Ų130104 Ų10449%0.49149%0.49SS..Hα-helixtrans-61.6-46.6165.2-74.1174.5-165.4125.71.5110.9N96 R103 A104N96-R100 VanDerWaalsContact O-CG 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.49Å; N96-R100 PolarHBondContact O-N 3.41Å; R100-R103 PolarHBondContact O-N 3.27Å; R100-A104 WeakPolarHBondContact O-CB 3.36Å; R100-A104 PolarHBondContact O-N 2.73Å
101K98.6Very high97.5Very high158 Ų158101.5 Ų101.569%0.68748%0.477SS*.Hα-helixtrans-62.6-42177.5-174.2-180178.2-177.50112.2Q97 L98 A104 S105Q97-K101 PolarHBondContact O-N 3.07Å; L98-K101 WeakPolarHBondContact O-CB 3.48Å; L98-K101 PolarHBondContact O-N 3.34Å; K101-A104 PolarHBondContact O-N 2.93Å; K101-S105 PolarHBondContact O-N 3.46Å
102R98.7Very high97.8Very high142 Ų14298.5 Ų98.554%0.53647%0.473SS..Hα-helixtrans-62-48.3175176.8169.7162.5-80.5-4.3111.6L98 E99 A104 S105 I106L98-R102 PolarHBondContact O-N 3.01Å; E99-R102 IonicContact OE1-NH1 2.71Å; E99-R102 PolarHBondContact OE1-NH1 2.71Å; E99-R102 WeakPolarHBondContact OE2-CD 3.28Å; E99-R102 IonicContact OE2-CZ 3.43Å; E99-R102 IonicContact OE2-NE 2.76Å; E99-R102 IonicContact OE2-NH1 3.36Å; E99-R102 PolarHBondContact OE2-NH1 2.91Å; R102-A104 VanDerWaalsContact C-N 3.32Å; R102-A104 PolarHBondContact O-N 3.21Å; R102-S105 PolarHBondContact O-N 3.36Å; R102-I106 HydrophobicContact CG-CD1 3.91Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 3.2Å
103R98.7Very high98Very high137 Ų13793.2 Ų93.252%0.51746%0.457SS..Hα-helixtrans-60.3-38.8175.7-76.5179.2-74.6173.7-10.2112.9E99 R100 I106 K107E99-R103 WeakPolarHBondContact O-CB 3.33Å; E99-R103 WeakPolarHBondContact O-CG 3.33Å; E99-R103 PolarHBondContact O-N 3.07Å; E99-R103 PolarHBondContact O-NE 2.96Å; E99-R103 VanDerWaalsContact O-NE 3.17Å; E99-R103 VanDerWaalsContact OE1-CG 3.3Å; E99-R103 WeakPolarHBondContact OE1-CG 3.37Å; E99-R103 IonicContact OE1-NE 3.55Å; R100-R103 PolarHBondContact O-N 3.27Å; R103-I106 PolarHBondContact O-N 2.86Å; R103-K107 WeakPolarHBondContact O-CB 3.35Å; R103-K107 PolarHBondContact O-N 2.96Å
104A98.6Very high98.1Very high55 Ų5590.6 Ų90.646%0.45544%0.44SS..Hα-helixtrans-62.8-47.5173.900000111.8R100 K101 R102 I106 K107 T108R100-A104 WeakPolarHBondContact O-CB 3.36Å; R100-A104 PolarHBondContact O-N 2.73Å; K101-A104 PolarHBondContact O-N 2.93Å; R102-A104 VanDerWaalsContact C-N 3.32Å; R102-A104 PolarHBondContact O-N 3.21Å; A104-I106 VanDerWaalsContact C-N 3.33Å; A104-I106 PolarHBondContact O-N 3.23Å; A104-K107 WeakPolarHBondContact O-CB 3.32Å; A104-K107 PolarHBondContact O-N 3.35Å; A104-K107 VanDerWaalsContact O-N 3.14Å; A104-T108 PolarHBondContact O-N 2.94Å; A104-T108 PolarHBondContact O-OG1 3.48Å
105S98.6Very high98.2Very high82 Ų8288.8 Ų88.857%0.57343%0.432SS*.Hα-helixtrans-59-42.5176.9-1640000112.4K101 R102 T108 S109K101-S105 PolarHBondContact O-N 3.46Å; R102-S105 PolarHBondContact O-N 3.36Å; S105-T108 PolarHBondContact O-N 3.09Å; S105-S109 PolarHBondContact O-N 3.19Å; S105-S109 VanDerWaalsContact O-N 3.14Å; S105-S109 PolarHBondContact O-OG 3.38Å
106I98.5Very high98.2Very high57 Ų5787.2 Ų87.229%0.29243%0.431SS..Hα-helixtrans-65.3-40.5176.6-68.4168.1000110.7R102 R103 A104 T108 S109 Y110R102-I106 HydrophobicContact CG-CD1 3.91Å; R102-I106 WeakPolarHBondContact O-CG1 3.48Å; R102-I106 PolarHBondContact O-N 3.2Å; R103-I106 PolarHBondContact O-N 2.86Å; A104-I106 VanDerWaalsContact C-N 3.33Å; A104-I106 PolarHBondContact O-N 3.23Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 3.38Å; I106-S109 WeakPolarHBondContact CA-OG 3.48Å; I106-S109 PolarHBondContact O-N 3.03Å; I106-S109 PolarHBondContact O-OG 3.12Å; I106-Y110 HydrophobicContact CG2-CD2 3.78Å; I106-Y110 HydrophobicContact CG2-CE2 3.72Å; I106-Y110 WeakPolarHBondContact O-CD2 3.47Å; I106-Y110 PolarHBondContact O-N 3.12Å
107K98.3Very high98.1Very high134 Ų13484.8 Ų84.858%0.58342%0.418SS*.Hα-helixtrans-59.8-40.6175.2-173.6177.3179.4178.10111.6R103 A104 Y110 N111R103-K107 WeakPolarHBondContact O-CB 3.35Å; R103-K107 PolarHBondContact O-N 2.96Å; A104-K107 WeakPolarHBondContact O-CB 3.32Å; A104-K107 PolarHBondContact O-N 3.35Å; A104-K107 VanDerWaalsContact O-N 3.14Å; K107-Y110 PolarHBondContact O-N 2.91Å; K107-N111 PolarHBondContact O-N 3.48Å; K107-N111 PolarHBondContact O-ND2 3.43Å
108T98.1Very high98Very high73 Ų7383.2 Ų83.245%0.44842%0.418SS..Hα-helixtrans-60.8-51.8174.2-50.60000111A104 S105 I106 Y110 N111 D112A104-T108 PolarHBondContact O-N 2.94Å; A104-T108 PolarHBondContact O-OG1 3.48Å; S105-T108 PolarHBondContact O-N 3.09Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 3.38Å; T108-Y110 PolarHBondContact O-N 3.39Å; T108-Y110 VanDerWaalsContact O-N 3.16Å; T108-N111 WeakPolarHBondContact O-CA 3.36Å; T108-N111 WeakPolarHBondContact O-CB 3.38Å; T108-N111 PolarHBondContact O-N 2.84Å; T108-D112 PolarHBondContact O-N 3.3Å
109S98.4Very high97.8Very high63 Ų6382.1 Ų82.144%0.44143%0.428SS..Hα-helixtrans-61.2-28.818053.80000114.5S105 I106 L113S105-S109 PolarHBondContact O-N 3.19Å; S105-S109 VanDerWaalsContact O-N 3.14Å; S105-S109 PolarHBondContact O-OG 3.38Å; I106-S109 WeakPolarHBondContact CA-OG 3.48Å; I106-S109 PolarHBondContact O-N 3.03Å; I106-S109 PolarHBondContact O-OG 3.12Å; S109-L113 VanDerWaalsContact O-CB 3.28Å; S109-L113 WeakPolarHBondContact O-CB 3.29Å; S109-L113 PolarHBondContact O-N 3.47Å
110Y98.5Very high97.6Very high53 Ų5380.6 Ų80.621%0.20842%0.422CS..Hα-helixtrans-69.9-34.2171.2-90.4-76.8000112.7I106 K107 T108 R114 R127 I130 L131I106-Y110 HydrophobicContact CG2-CD2 3.78Å; I106-Y110 HydrophobicContact CG2-CE2 3.72Å; I106-Y110 WeakPolarHBondContact O-CD2 3.47Å; I106-Y110 PolarHBondContact O-N 3.12Å; K107-Y110 PolarHBondContact O-N 2.91Å; T108-Y110 PolarHBondContact O-N 3.39Å; T108-Y110 VanDerWaalsContact O-N 3.16Å; Y110-R114 WeakPolarHBondContact O-CB 3.31Å; Y110-R114 PolarHBondContact O-N 3.45Å; Y110-R114 VanDerWaalsContact O-N 3.1Å; Y110-R127 HydrophobicContact CD1-CB 4.33Å; Y110-R127 HydrophobicContact CD1-CG 4.02Å; Y110-R127 HydrophobicContact CD2-CG 4.44Å; Y110-R127 HydrophobicContact CE1-CB 3.79Å; Y110-R127 HydrophobicContact CE1-CG 3.84Å; Y110-R127 HydrophobicContact CE2-CG 4.3Å; Y110-R127 HydrophobicContact CG-CG 4.32Å; Y110-I130 HydrophobicContact CD1-CB 4.41Å; Y110-I130 HydrophobicContact CD1-CD1 4.29Å; Y110-I130 HydrophobicContact CD1-CG2 4.13Å; Y110-L131 HydrophobicContact CE1-CD1 4.42Å; Y110-L131 HydrophobicContact CE1-CD2 4.21Å; Y110-L131 HydrophobicContact CE1-CG 4.08Å
111N97.4Very high97.3Very high67 Ų6781.5 Ų81.536%0.35843%0.425SS..Hα-helixtrans-70.5-45.3173.2-63.3-27000110.8K107 T108 L113 R114 E115K107-N111 PolarHBondContact O-N 3.48Å; K107-N111 PolarHBondContact O-ND2 3.43Å; T108-N111 WeakPolarHBondContact O-CA 3.36Å; T108-N111 WeakPolarHBondContact O-CB 3.38Å; T108-N111 PolarHBondContact O-N 2.84Å; N111-L113 VanDerWaalsContact C-N 3.33Å; N111-L113 PolarHBondContact O-N 3.27Å; N111-R114 WeakPolarHBondContact O-CB 3.32Å; N111-R114 PolarHBondContact O-N 2.86Å; N111-R114 VanDerWaalsContact O-N 3.11Å; N111-E115 PolarHBondContact O-N 3.48Å
112D97.9Very high97Very high98 Ų9876.9 Ų76.952%0.52442%0.422SS..Hα-helixtrans-60.7-43.3-179.6-53.4-30.3000111T108 E115 V116T108-D112 PolarHBondContact O-N 3.3Å; D112-E115 PolarHBondContact O-N 3.31Å; D112-V116 PolarHBondContact O-N 2.86Å
113L98.2Very high96.6Very high61 Ų6172.7 Ų72.732%0.31942%0.415SS..Hα-helixtrans-63.4-41.9173.5177.658000112S109 N111 E115 V116 I117 I130 A134S109-L113 VanDerWaalsContact O-CB 3.28Å; S109-L113 WeakPolarHBondContact O-CB 3.29Å; S109-L113 PolarHBondContact O-N 3.47Å; N111-L113 VanDerWaalsContact C-N 3.33Å; N111-L113 PolarHBondContact O-N 3.27Å; L113-E115 PolarHBondContact O-N 3.11Å; L113-V116 HydrophobicContact CD1-CG2 4.25Å; L113-V116 WeakPolarHBondContact O-CG2 3.31Å; L113-V116 PolarHBondContact O-N 3.16Å; L113-I117 HydrophobicContact CD1-CD1 4.14Å; L113-I117 HydrophobicContact CD1-CG1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.01Å; L113-I117 WeakPolarHBondContact O-CD1 3.34Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 2.97Å; L113-I130 HydrophobicContact CB-CG2 4.43Å; L113-I130 HydrophobicContact CD2-CG2 3.91Å; L113-I130 HydrophobicContact CG-CG2 3.95Å; L113-A134 HydrophobicContact CD1-CB 4.14Å; L113-A134 HydrophobicContact CD2-CB 4.33Å
114R97.7Very high96.5Very high38 Ų3876 Ų7614%0.14343%0.433CS..Hα-helixtrans-63.7-39.6178.2170.9171.8158.2-113.6-13.1112.8Y110 N111 V116 I117 L120 G122 S123 I130Y110-R114 WeakPolarHBondContact O-CB 3.31Å; Y110-R114 PolarHBondContact O-N 3.45Å; Y110-R114 VanDerWaalsContact O-N 3.1Å; N111-R114 WeakPolarHBondContact O-CB 3.32Å; N111-R114 PolarHBondContact O-N 2.86Å; N111-R114 VanDerWaalsContact O-N 3.11Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 2.93Å; R114-I117 PolarHBondContact O-N 3.48Å; R114-L120 HydrophobicContact CG-CB 3.99Å; R114-L120 WeakPolarHBondContact CG-O 3.49Å; R114-L120 PolarHBondContact NE-O 3.36Å; R114-G122 PolarHBondContact NH2-O 3.23Å; R114-S123 PolarHBondContact NE-O 3.43Å; R114-S123 PolarHBondContact NH2-O 2.9Å; R114-I130 HydrophobicContact CB-CD1 4.09Å; R114-I130 HydrophobicContact CB-CG1 4.16Å; R114-I130 HydrophobicContact CB-CG2 4.34Å; R114-I130 HydrophobicContact CG-CD1 4.46Å; R114-I130 HydrophobicContact CG-CG1 4.43Å
115E97.4Very high96.3Very high83 Ų8374.8 Ų74.839%0.38842%0.423SS..Hα-helixtrans-75.9-12.5-179.9-67.1-55.6139.100114N111 D112 L113 R121 G122N111-E115 PolarHBondContact O-N 3.48Å; D112-E115 PolarHBondContact O-N 3.31Å; L113-E115 PolarHBondContact O-N 3.11Å; E115-R121 VanDerWaalsContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CG 3.27Å; E115-R121 PolarHBondContact O-NE 3.16Å; E115-R121 WeakPolarHBondContact OE2-CA 3.4Å; E115-R121 WeakPolarHBondContact OE2-CB 3.21Å; E115-G122 PolarHBondContact OE1-N 3.44Å; E115-G122 PolarHBondContact OE2-N 3.38Å
116V97Very high96.3Very high90 Ų9074 Ų7455%0.54542%0.417SS..Hα-helixtrans-86-31166.9-62.80000113.1D112 L113 R114 R121D112-V116 PolarHBondContact O-N 2.86Å; L113-V116 HydrophobicContact CD1-CG2 4.25Å; L113-V116 WeakPolarHBondContact O-CG2 3.31Å; L113-V116 PolarHBondContact O-N 3.16Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 2.93Å; V116-R121 PolarHBondContact O-NH2 2.84Å
117I97.5Very high96.2Very high5 Ų578.6 Ų78.63%0.02643%0.431CS..SBendtrans-69.9125.7-177.3-66.2160.8000111.6L113 R114 L120 R121 I130 R133 A134L113-I117 HydrophobicContact CD1-CD1 4.14Å; L113-I117 HydrophobicContact CD1-CG1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.01Å; L113-I117 WeakPolarHBondContact O-CD1 3.34Å; L113-I117 VanDerWaalsContact O-CG1 3.3Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 2.97Å; R114-I117 PolarHBondContact O-N 3.48Å; I117-L120 HydrophobicContact CB-CB 4.39Å; I117-L120 HydrophobicContact CD1-CD1 4.34Å; I117-L120 HydrophobicContact CG2-CB 4.18Å; I117-L120 HydrophobicContact CG2-CD1 4Å; I117-L120 HydrophobicContact CG2-CG 3.9Å; I117-L120 PolarHBondContact O-N 3.4Å; I117-R121 VanDerWaalsContact O-CG 3.25Å; I117-R121 WeakPolarHBondContact O-CG 3.1Å; I117-I130 HydrophobicContact CD1-CG2 4.11Å; I117-I130 WeakPolarHBondContact CD1-O 3.19Å; I117-R133 HydrophobicContact CG2-CB 3.85Å; I117-A134 HydrophobicContact CD1-CB 3.8Å; I117-A134 HydrophobicContact CG1-CB 4.45Å
118P95.2Very high96.2Very high80 Ų8075.5 Ų75.552%0.51943%0.431SS..THydrogen-bonded Turntrans-58.1139.7170.6-23.234.8000112.2L120 C137P118-L120 VanDerWaalsContact C-N 3.26Å; P118-L120 PolarHBondContact O-N 2.79Å; P118-C137 VanDerWaalsContact CD-SG 3.54Å
119G92.8Very high96.2Very high69 Ų6974.7 Ų74.771%0.71143%0.425SS*.THydrogen-bonded Turntrans82.5-22.918000000116S123G119-S123 PolarHBondContact O-OG 3.28Å
120L95Very high96.2Very high18 Ų1872 Ų729%0.09441%0.406CS..THydrogen-bonded Turntrans-99.9-5.4177.8-58.6-168.7000114.9R114 I117 P118 G122 S123 A125 V129 I130 R133R114-L120 HydrophobicContact CG-CB 3.99Å; R114-L120 WeakPolarHBondContact CG-O 3.49Å; R114-L120 PolarHBondContact NE-O 3.36Å; I117-L120 HydrophobicContact CB-CB 4.39Å; I117-L120 HydrophobicContact CD1-CD1 4.34Å; I117-L120 HydrophobicContact CG2-CB 4.18Å; I117-L120 HydrophobicContact CG2-CD1 4Å; I117-L120 HydrophobicContact CG2-CG 3.9Å; I117-L120 PolarHBondContact O-N 3.4Å; P118-L120 VanDerWaalsContact C-N 3.26Å; P118-L120 PolarHBondContact O-N 2.79Å; L120-G122 PolarHBondContact O-N 2.94Å; L120-S123 WeakPolarHBondContact CA-OG 3.41Å; L120-S123 PolarHBondContact O-OG 3.42Å; L120-A125 HydrophobicContact CD1-CB 4.19Å; L120-A125 HydrophobicContact CD2-CB 4.08Å; L120-V129 HydrophobicContact CD1-CG1 4.18Å; L120-V129 HydrophobicContact CD2-CG1 4.06Å; L120-I130 HydrophobicContact CD1-CG1 4.16Å; L120-R133 HydrophobicContact CD1-CB 3.76Å; L120-R133 HydrophobicContact CD1-CG 3.9Å; L120-R133 HydrophobicContact CD2-CG 4.33Å; L120-R133 HydrophobicContact CG-CB 4.3Å; L120-R133 HydrophobicContact CG-CG 4.24Å
121R93.3Very high96.2Very high149 Ų14973.5 Ų73.556%0.56242%0.417SS*.SBendtrans-63.9124.6177.7-51.3-166.5-179.8-169.9-7.7110.2E115 V116 I117 S123E115-R121 VanDerWaalsContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CD 3.22Å; E115-R121 WeakPolarHBondContact O-CG 3.27Å; E115-R121 PolarHBondContact O-NE 3.16Å; E115-R121 WeakPolarHBondContact OE2-CA 3.4Å; E115-R121 WeakPolarHBondContact OE2-CB 3.21Å; V116-R121 PolarHBondContact O-NH2 2.84Å; I117-R121 VanDerWaalsContact O-CG 3.25Å; I117-R121 WeakPolarHBondContact O-CG 3.1Å; R121-S123 PolarHBondContact O-N 3.31Å
122G90.6Very high96.2Very high61 Ų6175.6 Ų75.663%0.62943%0.425SS*.SBendtrans72.8-32.9-178.400000116.2R114 E115 L120R114-G122 PolarHBondContact NH2-O 3.23Å; E115-G122 PolarHBondContact OE1-N 3.44Å; E115-G122 PolarHBondContact OE2-N 3.38Å; L120-G122 PolarHBondContact O-N 2.94Å
123S91.7Very high96.2Very high54 Ų5475.2 Ų75.238%0.37842%0.416SS..SBendtrans-77129.2179.549.40000112.8R114 G119 L120 R121 A125R114-S123 PolarHBondContact NE-O 3.43Å; R114-S123 PolarHBondContact NH2-O 2.9Å; G119-S123 PolarHBondContact O-OG 3.28Å; L120-S123 WeakPolarHBondContact CA-OG 3.41Å; L120-S123 PolarHBondContact O-OG 3.42Å; R121-S123 PolarHBondContact O-N 3.31Å; S123-A125 PolarHBondContact O-N 3.49Å
124K95Very high96.2Very high206 Ų20672.9 Ų72.990%0.89641%0.406SS*.  trans-59.2123.4-178.9-69.6180-176.71740109.7
125A95.8Very high96.3Very high29 Ų2974.9 Ų74.924%0.2442%0.422CS..  trans-132.6143.9-18000000111.8L120 S123 V129 I130L120-A125 HydrophobicContact CD1-CB 4.19Å; L120-A125 HydrophobicContact CD2-CB 4.08Å; S123-A125 PolarHBondContact O-N 3.49Å; A125-V129 HydrophobicContact CB-CG1 4.28Å; A125-I130 HydrophobicContact CB-CD1 4.36Å; A125-I130 HydrophobicContact CB-CG1 3.87Å
126S97.2Very high96.3Very high66 Ų6674 Ų7446%0.46242%0.418SS..  trans-73.4159.3176.782.40000111.5A128 V129 I130S126-A128 PolarHBondContact O-N 3.14Å; S126-V129 PolarHBondContact O-N 3.02Å; S126-V129 WeakPolarHBondContact OG-CG2 3.47Å; S126-V129 PolarHBondContact OG-N 3.32Å; S126-I130 WeakPolarHBondContact O-CG1 3.44Å; S126-I130 PolarHBondContact O-N 3.2Å
127R97.9Very high96.4Very high154 Ų15470.9 Ų70.958%0.58140%0.4SS*.Hα-helixtrans-57.9-37.5177.4-70.2-172.4-177.9113-0.5112.6Y110 L131Y110-R127 HydrophobicContact CD1-CB 4.33Å; Y110-R127 HydrophobicContact CD1-CG 4.02Å; Y110-R127 HydrophobicContact CD2-CG 4.44Å; Y110-R127 HydrophobicContact CE1-CB 3.79Å; Y110-R127 HydrophobicContact CE1-CG 3.84Å; Y110-R127 HydrophobicContact CE2-CG 4.3Å; Y110-R127 HydrophobicContact CG-CG 4.32Å; R127-L131 WeakPolarHBondContact O-CG 3.46Å; R127-L131 PolarHBondContact O-N 3.11Å; R127-L131 VanDerWaalsContact O-N 3.11Å
128A98.3Very high96.4Very high69 Ų6975.7 Ų75.757%0.5742%0.424SS*.Hα-helixtrans-64.5-47.217700000111.3S126 I130 L131 Q132S126-A128 PolarHBondContact O-N 3.14Å; A128-I130 PolarHBondContact O-N 3.47Å; A128-L131 PolarHBondContact O-N 2.97Å; A128-Q132 WeakPolarHBondContact O-CB 3.37Å; A128-Q132 PolarHBondContact O-N 2.96Å
129V97.8Very high96.5Very high55 Ų5578.1 Ų78.133%0.33343%0.428SS..Hα-helixtrans-63-40.6177.6172.10000111.6L120 A125 S126 L131 Q132 R133L120-V129 HydrophobicContact CD1-CG1 4.18Å; L120-V129 HydrophobicContact CD2-CG1 4.06Å; A125-V129 HydrophobicContact CB-CG1 4.28Å; S126-V129 PolarHBondContact O-N 3.02Å; S126-V129 WeakPolarHBondContact OG-CG2 3.47Å; S126-V129 PolarHBondContact OG-N 3.32Å; V129-L131 PolarHBondContact O-N 3.31Å; V129-Q132 PolarHBondContact O-N 2.92Å; V129-R133 HydrophobicContact CG1-CG 4.11Å; V129-R133 WeakPolarHBondContact O-CB 3.44Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.86Å
130I98.4Very high96.8Very high6 Ų680.1 Ų80.13%0.03142%0.419CS..Hα-helixtrans-60.9-45.1176-65.4163000110.8Y110 L113 R114 I117 L120 A125 S126 A128 A134Y110-I130 HydrophobicContact CD1-CB 4.41Å; Y110-I130 HydrophobicContact CD1-CD1 4.29Å; Y110-I130 HydrophobicContact CD1-CG2 4.13Å; L113-I130 HydrophobicContact CB-CG2 4.43Å; L113-I130 HydrophobicContact CD2-CG2 3.91Å; L113-I130 HydrophobicContact CG-CG2 3.95Å; R114-I130 HydrophobicContact CB-CD1 4.09Å; R114-I130 HydrophobicContact CB-CG1 4.16Å; R114-I130 HydrophobicContact CB-CG2 4.34Å; R114-I130 HydrophobicContact CG-CD1 4.46Å; R114-I130 HydrophobicContact CG-CG1 4.43Å; I117-I130 HydrophobicContact CD1-CG2 4.11Å; I117-I130 WeakPolarHBondContact CD1-O 3.19Å; L120-I130 HydrophobicContact CD1-CG1 4.16Å; A125-I130 HydrophobicContact CB-CD1 4.36Å; A125-I130 HydrophobicContact CB-CG1 3.87Å; S126-I130 WeakPolarHBondContact O-CG1 3.44Å; S126-I130 PolarHBondContact O-N 3.2Å; A128-I130 PolarHBondContact O-N 3.47Å; I130-A134 VanDerWaalsContact O-CB 3.26Å; I130-A134 WeakPolarHBondContact O-CB 3.5Å; I130-A134 PolarHBondContact O-N 2.95Å
131L98.5Very high96.9Very high85 Ų8583.4 Ų83.445%0.44544%0.437SS..Hα-helixtrans-67.1-42.9177.8-68173000112.2Y110 R127 A128 V129 A134 V135Y110-L131 HydrophobicContact CE1-CD1 4.42Å; Y110-L131 HydrophobicContact CE1-CD2 4.21Å; Y110-L131 HydrophobicContact CE1-CG 4.08Å; R127-L131 WeakPolarHBondContact O-CG 3.46Å; R127-L131 PolarHBondContact O-N 3.11Å; R127-L131 VanDerWaalsContact O-N 3.11Å; A128-L131 PolarHBondContact O-N 2.97Å; V129-L131 PolarHBondContact O-N 3.31Å; L131-A134 WeakPolarHBondContact O-CB 3.49Å; L131-A134 PolarHBondContact O-N 3.38Å; L131-V135 PolarHBondContact O-N 3.45Å
132Q98Very high97.2Very high112 Ų11280.6 Ų80.652%0.52344%0.436SS..Hα-helixtrans-63-52.7179-178.6-178.3-18.700111.4A128 V129 A134 V135 E136A128-Q132 WeakPolarHBondContact O-CB 3.37Å; A128-Q132 PolarHBondContact O-N 2.96Å; V129-Q132 PolarHBondContact O-N 2.92Å; Q132-A134 PolarHBondContact O-N 3.23Å; Q132-V135 PolarHBondContact O-N 3.02Å; Q132-V135 VanDerWaalsContact O-N 3.11Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.24Å; Q132-E136 PolarHBondContact NE2-OE1 2.87Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 2.91Å
133R97.8Very high97.6Very high90 Ų9084.3 Ų84.334%0.3444%0.435SS..Hα-helixtrans-66.2-24.5178.5-61.3-55.3-164.1-179.61.4112.5I117 L120 V129 E136 C137I117-R133 HydrophobicContact CG2-CB 3.85Å; L120-R133 HydrophobicContact CD1-CB 3.76Å; L120-R133 HydrophobicContact CD1-CG 3.9Å; L120-R133 HydrophobicContact CD2-CG 4.33Å; L120-R133 HydrophobicContact CG-CB 4.3Å; L120-R133 HydrophobicContact CG-CG 4.24Å; V129-R133 HydrophobicContact CG1-CG 4.11Å; V129-R133 WeakPolarHBondContact O-CB 3.44Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.86Å; R133-E136 WeakPolarHBondContact CD-OE2 3.34Å; R133-E136 IonicContact CZ-OE2 2.74Å; R133-E136 IonicContact NE-OE2 3.07Å; R133-E136 IonicContact NH1-OE1 3.81Å; R133-E136 IonicContact NH1-OE2 2.72Å; R133-E136 PolarHBondContact NH1-OE2 3.22Å; R133-C137 WeakPolarHBondContact O-CB 3.41Å; R133-C137 PolarHBondContact O-N 3.16Å
134A98.4Very high97.9Very high12 Ų1284.8 Ų84.810%0.09943%0.433CS..Hα-helixtrans-64-46.417000000111.8L113 I117 I130 L131 Q132 C137 I138L113-A134 HydrophobicContact CD1-CB 4.14Å; L113-A134 HydrophobicContact CD2-CB 4.33Å; I117-A134 HydrophobicContact CD1-CB 3.8Å; I117-A134 HydrophobicContact CG1-CB 4.45Å; I130-A134 VanDerWaalsContact O-CB 3.26Å; I130-A134 WeakPolarHBondContact O-CB 3.5Å; I130-A134 PolarHBondContact O-N 2.95Å; L131-A134 WeakPolarHBondContact O-CB 3.49Å; L131-A134 PolarHBondContact O-N 3.38Å; Q132-A134 PolarHBondContact O-N 3.23Å; A134-C137 PolarHBondContact O-N 3.42Å; A134-I138 WeakPolarHBondContact O-CB 3.36Å; A134-I138 WeakPolarHBondContact O-CD1 3.4Å; A134-I138 VanDerWaalsContact O-CG1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.3Å; A134-I138 PolarHBondContact O-N 3.05Å
135V98.4Very high98Very high80 Ų8079.4 Ų79.449%0.48541%0.414SS..Hα-helixtrans-62.9-51.4177.3174.70000110.4L131 Q132 C137 I138 E139L131-V135 PolarHBondContact O-N 3.45Å; Q132-V135 PolarHBondContact O-N 3.02Å; Q132-V135 VanDerWaalsContact O-N 3.11Å; V135-C137 VanDerWaalsContact C-N 3.3Å; V135-C137 PolarHBondContact O-N 3.07Å; V135-I138 PolarHBondContact O-N 3.29Å; V135-I138 VanDerWaalsContact O-N 3.11Å; V135-E139 HydrophobicContact CG1-CG 4.44Å; V135-E139 WeakPolarHBondContact O-CG 3.11Å; V135-E139 PolarHBondContact O-N 3.42Å
136E97.9Very high98.1Very high64 Ų6486.9 Ų86.930%0.29944%0.436SS..Hα-helixtrans-55.1-44.5177.3-66.9171.3-167.600111.8Q132 R133 E139 E140Q132-E136 WeakPolarHBondContact CG-OE1 3.24Å; Q132-E136 PolarHBondContact NE2-OE1 2.87Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 2.91Å; R133-E136 WeakPolarHBondContact CD-OE2 3.34Å; R133-E136 IonicContact CZ-OE2 2.74Å; R133-E136 IonicContact NE-OE2 3.07Å; R133-E136 IonicContact NH1-OE1 3.81Å; R133-E136 IonicContact NH1-OE2 2.72Å; R133-E136 PolarHBondContact NH1-OE2 3.22Å; E136-E139 PolarHBondContact O-N 3.5Å; E136-E140 WeakPolarHBondContact O-CG 3.25Å; E136-E140 PolarHBondContact O-N 3.36Å
137C98.2Very high98.2Very high25 Ų2588 Ų8817%0.16944%0.437CS..Hα-helixtrans-65.5-39.5178-176.90000112.7P118 R133 A134 V135 L141P118-C137 VanDerWaalsContact CD-SG 3.54Å; R133-C137 WeakPolarHBondContact O-CB 3.41Å; R133-C137 PolarHBondContact O-N 3.16Å; A134-C137 PolarHBondContact O-N 3.42Å; V135-C137 VanDerWaalsContact C-N 3.3Å; V135-C137 PolarHBondContact O-N 3.07Å; C137-L141 VanDerWaalsContact O-CB 3.31Å; C137-L141 WeakPolarHBondContact O-CB 3.5Å; C137-L141 WeakPolarHBondContact O-CG 3.44Å; C137-L141 PolarHBondContact O-N 3.32Å
138I98.3Very high98.2Very high106 Ų10684.8 Ų84.854%0.54443%0.428SS..Hα-helixtrans-65.5-43.5175.7-71164.3000110.5A134 V135 L141 V142A134-I138 WeakPolarHBondContact O-CB 3.36Å; A134-I138 WeakPolarHBondContact O-CD1 3.4Å; A134-I138 VanDerWaalsContact O-CG1 3.24Å; A134-I138 WeakPolarHBondContact O-CG1 3.3Å; A134-I138 PolarHBondContact O-N 3.05Å; V135-I138 PolarHBondContact O-N 3.29Å; V135-I138 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 3.1Å; I138-V142 HydrophobicContact CG2-CG2 4.34Å; I138-V142 WeakPolarHBondContact O-CB 3.46Å; I138-V142 VanDerWaalsContact O-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.11Å
139E98.3Very high98.2Very high130 Ų13085.4 Ų85.461%0.60743%0.425SS*.Hα-helixtrans-62.9-45.3177.4-70.8-179.3174.100112V135 E136 V142 K143V135-E139 HydrophobicContact CG1-CG 4.44Å; V135-E139 WeakPolarHBondContact O-CG 3.11Å; V135-E139 PolarHBondContact O-N 3.42Å; E136-E139 PolarHBondContact O-N 3.5Å; E139-V142 PolarHBondContact O-N 2.92Å; E139-K143 WeakPolarHBondContact O-CB 3.39Å; E139-K143 PolarHBondContact O-N 3.47Å
140E98Very high98.2Very high111 Ų11186.7 Ų86.752%0.51943%0.432SS..Hα-helixtrans-63.4-41.3174.9-72.8-159.1144.600112.3K11 E136 K143 L144K11-E140 IonicContact NZ-OE1 3.71Å; K11-E140 PolarHBondContact NZ-OE1 3.41Å; E136-E140 WeakPolarHBondContact O-CG 3.25Å; E136-E140 PolarHBondContact O-N 3.36Å; E140-K143 PolarHBondContact O-N 3.26Å; E140-L144 WeakPolarHBondContact O-CB 3.44Å; E140-L144 PolarHBondContact O-N 3.35Å
141L98.3Very high98.2Very high88 Ų8889.4 Ų89.446%0.46145%0.451SS..Hα-helixtrans-67.7-39176.9-74.8171.4000112.7C137 I138 L144 N145C137-L141 VanDerWaalsContact O-CB 3.31Å; C137-L141 WeakPolarHBondContact O-CB 3.5Å; C137-L141 WeakPolarHBondContact O-CG 3.44Å; C137-L141 PolarHBondContact O-N 3.32Å; I138-L141 PolarHBondContact O-N 3.1Å; L141-L144 PolarHBondContact O-N 2.59Å; L141-N145 VanDerWaalsContact O-CB 3.31Å; L141-N145 WeakPolarHBondContact O-CB 3.28Å; L141-N145 VanDerWaalsContact O-CG 3.29Å; L141-N145 PolarHBondContact O-N 3.46Å; L141-N145 PolarHBondContact O-ND2 3.46Å; L141-N145 VanDerWaalsContact O-ND2 3.12Å
142V98.4Very high98.2Very high90 Ų9088.9 Ų88.955%0.54545%0.452SS..Hα-helixtrans-64.4-43.8175166.60000110.6I138 E139 R146I138-V142 HydrophobicContact CG2-CG2 4.34Å; I138-V142 WeakPolarHBondContact O-CB 3.46Å; I138-V142 VanDerWaalsContact O-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.46Å; I138-V142 PolarHBondContact O-N 3.11Å; E139-V142 PolarHBondContact O-N 2.92Å; V142-R146 PolarHBondContact O-N 3.49Å; V142-R146 VanDerWaalsContact O-N 3.12Å
143K98.3Very high98.2Very high139 Ų13987.5 Ų87.560%0.60445%0.445SS*.Hα-helixtrans-62.3-50174.3-178.1-179.2176.2-177.90111.6E139 E140 N145 R146 D147E139-K143 WeakPolarHBondContact O-CB 3.39Å; E139-K143 PolarHBondContact O-N 3.47Å; E140-K143 PolarHBondContact O-N 3.26Å; K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 3.19Å; K143-R146 WeakPolarHBondContact O-CA 3.39Å; K143-R146 VanDerWaalsContact O-CB 3.31Å; K143-R146 WeakPolarHBondContact O-CB 3.32Å; K143-R146 PolarHBondContact O-N 2.95Å; K143-D147 PolarHBondContact O-N 3.19Å
144L98.1Very high98.3Very high63 Ų6386 Ų8633%0.3345%0.446SS..Hα-helixtrans-60.7-41.1-178.9-178.162.8000111.8E140 L141 R146 D147 H148E140-L144 WeakPolarHBondContact O-CB 3.44Å; E140-L144 PolarHBondContact O-N 3.35Å; L141-L144 PolarHBondContact O-N 2.59Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 2.94Å; L144-D147 PolarHBondContact O-N 3.04Å; L144-H148 WeakPolarHBondContact O-CB 3.45Å; L144-H148 PolarHBondContact O-N 2.84Å; L144-H148 PolarHBondContact O-ND1 3.22Å
145N98.2Very high98.3Very high94 Ų9489 Ų8950%0.50346%0.46SS..Hα-helixtrans-64.7-34.7173.9-77.1-34.6000112.5L141 K143 T149L141-N145 VanDerWaalsContact O-CB 3.31Å; L141-N145 WeakPolarHBondContact O-CB 3.28Å; L141-N145 VanDerWaalsContact O-CG 3.29Å; L141-N145 PolarHBondContact O-N 3.46Å; L141-N145 PolarHBondContact O-ND2 3.46Å; L141-N145 VanDerWaalsContact O-ND2 3.12Å; K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 3.19Å; N145-T149 PolarHBondContact O-N 3.4Å; N145-T149 PolarHBondContact O-OG1 3.39Å; N145-T149 VanDerWaalsContact O-OG1 3.07Å
146R98.3Very high98.3Very high185 Ų18591.4 Ų91.470%0.69846%0.464SS*.Hα-helixtrans-66.3-46.8174.4-154-179.4-164.4100.20.1111.3V142 K143 L144 H148 T149 V150V142-R146 PolarHBondContact O-N 3.49Å; V142-R146 VanDerWaalsContact O-N 3.12Å; K143-R146 WeakPolarHBondContact O-CA 3.39Å; K143-R146 VanDerWaalsContact O-CB 3.31Å; K143-R146 WeakPolarHBondContact O-CB 3.32Å; K143-R146 PolarHBondContact O-N 2.95Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 2.94Å; R146-H148 VanDerWaalsContact C-N 3.33Å; R146-H148 PolarHBondContact O-N 3.34Å; R146-T149 PolarHBondContact O-N 2.97Å; R146-V150 WeakPolarHBondContact O-CG2 3.28Å; R146-V150 PolarHBondContact O-N 3.48Å; R146-V150 VanDerWaalsContact O-N 3.09Å
147D98.4Very high98.3Very high90 Ų9095.4 Ų95.448%0.48148%0.476SS..Hα-helixtrans-63.5-38.4176.3-68.8-18.9000111.5K143 L144 C151K143-D147 PolarHBondContact O-N 3.19Å; L144-D147 PolarHBondContact O-N 3.04Å; D147-C151 VanDerWaalsContact O-CB 3.29Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.02Å
148H98.4Very high98.3Very high87 Ų8799 Ų9940%0.40349%0.491SS..Hα-helixtrans-63-44.7172.6-73.7166.6000112.6L144 R146 C151 V152L144-H148 WeakPolarHBondContact O-CB 3.45Å; L144-H148 PolarHBondContact O-N 2.84Å; L144-H148 PolarHBondContact O-ND1 3.22Å; R146-H148 VanDerWaalsContact C-N 3.33Å; R146-H148 PolarHBondContact O-N 3.34Å; H148-C151 WeakPolarHBondContact O-CB 3.4Å; H148-C151 PolarHBondContact O-N 2.98Å; H148-V152 WeakPolarHBondContact O-CG2 3.42Å; H148-V152 PolarHBondContact O-N 3.39Å
149T98.3Very high98.2Very high81 Ų8198.1 Ų98.150%0.49749%0.487SS..Hα-helixtrans-60.5-46.9176.8-650000111.4N145 R146 C151 V152 E153N145-T149 PolarHBondContact O-N 3.4Å; N145-T149 PolarHBondContact O-OG1 3.39Å; N145-T149 VanDerWaalsContact O-OG1 3.07Å; R146-T149 PolarHBondContact O-N 2.97Å; T149-C151 VanDerWaalsContact C-N 3.3Å; T149-C151 PolarHBondContact O-N 2.99Å; T149-V152 PolarHBondContact O-N 3.39Å; T149-E153 PolarHBondContact O-N 3.26Å
150V98.2Very high98.2Very high82 Ų8296.6 Ų96.650%0.49748%0.483SS..Hα-helixtrans-61.6-38.4176.1174.60000111.6R146 T154R146-V150 WeakPolarHBondContact O-CG2 3.28Å; R146-V150 PolarHBondContact O-N 3.48Å; R146-V150 VanDerWaalsContact O-N 3.09Å; V150-T154 WeakPolarHBondContact O-CB 3.33Å; V150-T154 PolarHBondContact O-N 3.04Å; V150-T154 PolarHBondContact O-OG1 3.35Å
151C98.2Very high98.2Very high63 Ų6397.2 Ų97.243%0.42649%0.489SS..Hα-helixtrans-63.2-46.2174.1-171.70000111.9D147 H148 T149 T154 L155D147-C151 VanDerWaalsContact O-CB 3.29Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.02Å; H148-C151 WeakPolarHBondContact O-CB 3.4Å; H148-C151 PolarHBondContact O-N 2.98Å; T149-C151 VanDerWaalsContact C-N 3.3Å; T149-C151 PolarHBondContact O-N 2.99Å; C151-T154 PolarHBondContact O-N 3.11Å; C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.14Å
152V98.5Very high98.2Very high75 Ų7598.2 Ų98.246%0.45549%0.494SS..Hα-helixtrans-64.4-42.9178168.40000111.6H148 T149 T154 L155 K156H148-V152 WeakPolarHBondContact O-CG2 3.42Å; H148-V152 PolarHBondContact O-N 3.39Å; T149-V152 PolarHBondContact O-N 3.39Å; V152-T154 VanDerWaalsContact C-N 3.34Å; V152-T154 PolarHBondContact O-N 2.95Å; V152-L155 PolarHBondContact O-N 3.29Å; V152-K156 HydrophobicContact CG1-CD 4.32Å; V152-K156 WeakPolarHBondContact O-CG 3.47Å; V152-K156 PolarHBondContact O-N 3.17Å
153E98.4Very high98.2Very high83 Ų8398.2 Ų98.239%0.38849%0.491SS..Hα-helixtrans-60.4-42.9172.9-76.3-177.7-154.700112.4T149 K156 R157T149-E153 PolarHBondContact O-N 3.26Å; E153-K156 PolarHBondContact O-N 3.49Å; E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 IonicContact OE2-CZ 3.61Å; E153-R157 IonicContact OE2-NH1 2.82Å; E153-R157 IonicContact OE2-NH2 3.87Å; E153-R157 PolarHBondContact OE2-NH2 2.9Å
154T98.4Very high98.1Very high57 Ų5794.9 Ų94.935%0.3549%0.485SS..Hα-helixtrans-64.4-42.4179.3-58.10000111.1V150 C151 V152 Q158V150-T154 WeakPolarHBondContact O-CB 3.33Å; V150-T154 PolarHBondContact O-N 3.04Å; V150-T154 PolarHBondContact O-OG1 3.35Å; C151-T154 PolarHBondContact O-N 3.11Å; V152-T154 VanDerWaalsContact C-N 3.34Å; V152-T154 PolarHBondContact O-N 2.95Å; T154-Q158 VanDerWaalsContact O-CG 3.32Å; T154-Q158 WeakPolarHBondContact O-CG 3.36Å; T154-Q158 PolarHBondContact O-N 2.71Å
155L98.1Very high98.1Very high77 Ų7797.6 Ų97.640%0.40349%0.491SS..Hα-helixtrans-67.8-37.3176.2-71170.7000112.3C151 V152 Q158 N159C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.14Å; V152-L155 PolarHBondContact O-N 3.29Å; L155-Q158 PolarHBondContact O-N 2.83Å; L155-N159 VanDerWaalsContact O-CG 3.32Å; L155-N159 PolarHBondContact O-N 3.07Å; L155-N159 PolarHBondContact O-OD1 3.39Å
156K98.3Very high98.1Very high129 Ų12996.4 Ų96.456%0.56149%0.487SS*.Hα-helixtrans-58.8-55.3172-76.8176.8177.4-175.70111V152 E153 Q158 N159 D160V152-K156 HydrophobicContact CG1-CD 4.32Å; V152-K156 WeakPolarHBondContact O-CG 3.47Å; V152-K156 PolarHBondContact O-N 3.17Å; E153-K156 PolarHBondContact O-N 3.49Å; K156-Q158 PolarHBondContact O-N 2.96Å; K156-Q158 VanDerWaalsContact O-N 3.12Å; K156-N159 CarbonylContact O-C 3.57Å; K156-N159 WeakPolarHBondContact O-CA 3.48Å; K156-N159 WeakPolarHBondContact O-CB 3.44Å; K156-N159 PolarHBondContact O-N 3.45Å; K156-D160 VanDerWaalsContact C-OD2 3.31Å; K156-D160 PolarHBondContact O-N 3.32Å; K156-D160 VanDerWaalsContact O-OD2 3.06Å
157R98Very high98Very high148 Ų14891.5 Ų91.556%0.55847%0.472SS*.Hα-helixtrans-55.8-33.3177.6-67172.9-169.8127.511.8113.1E153 L161E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 IonicContact OE2-CZ 3.61Å; E153-R157 IonicContact OE2-NH1 2.82Å; E153-R157 IonicContact OE2-NH2 3.87Å; E153-R157 PolarHBondContact OE2-NH2 2.9Å; R157-L161 WeakPolarHBondContact O-CB 3.32Å; R157-L161 PolarHBondContact O-N 2.98Å
158Q98.1Very high97.9Very high101 Ų10191.2 Ų91.247%0.47247%0.468SS..Hα-helixtrans-72.2-42174.8-75175.31.700112.5T154 L155 K156 L162T154-Q158 VanDerWaalsContact O-CG 3.32Å; T154-Q158 WeakPolarHBondContact O-CG 3.36Å; T154-Q158 PolarHBondContact O-N 2.71Å; L155-Q158 PolarHBondContact O-N 2.83Å; K156-Q158 PolarHBondContact O-N 2.96Å; K156-Q158 VanDerWaalsContact O-N 3.12Å; Q158-L162 WeakPolarHBondContact O-CB 3.03Å; Q158-L162 VanDerWaalsContact O-CG 3.28Å; Q158-L162 WeakPolarHBondContact O-CG 3.2Å; Q158-L162 PolarHBondContact O-N 3.11Å
159N97.9Very high97.8Very high88 Ų8890.8 Ų90.847%0.47147%0.468SS..Hα-helixtrans-63.8-48.1173.7-69.2-7.4000111L155 K156 L161 L162 D163L155-N159 VanDerWaalsContact O-CG 3.32Å; L155-N159 PolarHBondContact O-N 3.07Å; L155-N159 PolarHBondContact O-OD1 3.39Å; K156-N159 CarbonylContact O-C 3.57Å; K156-N159 WeakPolarHBondContact O-CA 3.48Å; K156-N159 WeakPolarHBondContact O-CB 3.44Å; K156-N159 PolarHBondContact O-N 3.45Å; N159-L161 PolarHBondContact O-N 3.36Å; N159-L162 CarbonylContact O-C 3.57Å; N159-L162 PolarHBondContact O-N 3.36Å; N159-D163 WeakPolarHBondContact O-CB 3.21Å; N159-D163 PolarHBondContact O-N 3.17Å
160D98.1Very high97.6Very high98 Ų9892.6 Ų92.652%0.52447%0.471SS..Hα-helixtrans-55-39.6179.3-56.2-36.1000111.7K156 S164K156-D160 VanDerWaalsContact C-OD2 3.31Å; K156-D160 PolarHBondContact O-N 3.32Å; K156-D160 VanDerWaalsContact O-OD2 3.06Å; D160-S164 VanDerWaalsContact O-CB 3.3Å; D160-S164 WeakPolarHBondContact O-CB 3.43Å; D160-S164 PolarHBondContact O-N 2.75Å; D160-S164 PolarHBondContact O-OG 2.96Å
161L98Very high97.4Very high123 Ų12395.3 Ų95.364%0.64447%0.473SS*.Hα-helixtrans-69.7-42.8175177.662.6000112.6R157 N159 R165R157-L161 WeakPolarHBondContact O-CB 3.32Å; R157-L161 PolarHBondContact O-N 2.98Å; N159-L161 PolarHBondContact O-N 3.36Å; L161-R165 PolarHBondContact O-N 3.39Å
162L97.9Very high97.2Very high109 Ų10995.5 Ų95.557%0.57147%0.469SS*.Hα-helixtrans-66.7-44.2177.6-73.4170.6000111.5Q158 N159 S164 R165 V166Q158-L162 WeakPolarHBondContact O-CB 3.03Å; Q158-L162 VanDerWaalsContact O-CG 3.28Å; Q158-L162 WeakPolarHBondContact O-CG 3.2Å; Q158-L162 PolarHBondContact O-N 3.11Å; N159-L162 CarbonylContact O-C 3.57Å; N159-L162 PolarHBondContact O-N 3.36Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-S164 PolarHBondContact O-N 3.07Å; L162-R165 CarbonylContact O-C 3.6Å; L162-R165 PolarHBondContact O-N 2.99Å; L162-R165 VanDerWaalsContact O-N 3.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 3.32Å
163D97.8Very high96.9Very high91 Ų9195.3 Ų95.349%0.48747%0.468SS..Hα-helixtrans-63.2-41176.2-72.1-31.1000111N159 R165 V166 Q167N159-D163 WeakPolarHBondContact O-CB 3.21Å; N159-D163 PolarHBondContact O-N 3.17Å; D163-R165 VanDerWaalsContact C-N 3.32Å; D163-R165 PolarHBondContact O-N 3.32Å; D163-V166 PolarHBondContact O-N 3.24Å; D163-Q167 VanDerWaalsContact O-CG 3.3Å; D163-Q167 WeakPolarHBondContact O-CG 3.41Å; D163-Q167 PolarHBondContact O-N 3.1Å
164S97.5Very high96.5Very high68 Ų6897.9 Ų97.948%0.47648%0.48SS..Hα-helixtrans-58.2-43.7172-63.40000111.8D160 L162 Q167 E168D160-S164 VanDerWaalsContact O-CB 3.3Å; D160-S164 WeakPolarHBondContact O-CB 3.43Å; D160-S164 PolarHBondContact O-N 2.75Å; D160-S164 PolarHBondContact O-OG 2.96Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-S164 PolarHBondContact O-N 3.07Å; S164-Q167 PolarHBondContact O-N 3.03Å; S164-E168 PolarHBondContact O-N 2.9Å
165R97.1Very high96.1Very high121 Ų121102.2 Ų102.246%0.45749%0.49SS..Hα-helixtrans-70.6-36177.5-176.957.9179.8-178.96.7112.8L161 L162 D163 E168 L169L161-R165 PolarHBondContact O-N 3.39Å; L162-R165 CarbonylContact O-C 3.6Å; L162-R165 PolarHBondContact O-N 2.99Å; L162-R165 VanDerWaalsContact O-N 3.15Å; D163-R165 VanDerWaalsContact C-N 3.32Å; D163-R165 PolarHBondContact O-N 3.32Å; R165-E168 VanDerWaalsContact CD-OE2 3.3Å; R165-E168 WeakPolarHBondContact CD-OE2 3.29Å; R165-E168 IonicContact CZ-OE1 2.84Å; R165-E168 IonicContact CZ-OE2 3.69Å; R165-E168 IonicContact NE-OE2 3.91Å; R165-E168 IonicContact NH1-OE1 3.77Å; R165-E168 PolarHBondContact NH1-OE1 2.84Å; R165-E168 IonicContact NH1-OE2 3.71Å; R165-E168 PolarHBondContact NH1-OE2 2.82Å; R165-E168 PolarHBondContact O-N 3.43Å; R165-L169 HydrophobicContact CG-CD1 4.24Å; R165-L169 WeakPolarHBondContact O-CB 3.34Å; R165-L169 VanDerWaalsContact O-CG 3.31Å; R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.48Å
166V97.5Very high95.4Very high69 Ų69104.6 Ų104.642%0.41850%0.5SS..Hα-helixtrans-63.3-45.6173.6166.50000110.2L162 D163 E168 L169 Q170L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 3.32Å; D163-V166 PolarHBondContact O-N 3.24Å; V166-E168 VanDerWaalsContact C-N 3.35Å; V166-E168 PolarHBondContact O-N 2.95Å; V166-L169 PolarHBondContact O-N 2.96Å; V166-Q170 HydrophobicContact CG1-CG 4.4Å; V166-Q170 WeakPolarHBondContact O-CB 3.35Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.4Å; V166-Q170 PolarHBondContact O-N 2.85Å
167Q96.9Very high94.5Very high81 Ų81103.7 Ų103.738%0.37950%0.501SS..Hα-helixtrans-63.5-37.8175-66.7174.138.100112.6D163 S164 R171D163-Q167 VanDerWaalsContact O-CG 3.3Å; D163-Q167 WeakPolarHBondContact O-CG 3.41Å; D163-Q167 PolarHBondContact O-N 3.1Å; S164-Q167 PolarHBondContact O-N 3.03Å; Q167-R171 VanDerWaalsContact CB-NH1 3.34Å; Q167-R171 WeakPolarHBondContact O-CB 3.46Å; Q167-R171 VanDerWaalsContact O-CG 3.23Å; Q167-R171 WeakPolarHBondContact O-CG 3.43Å; Q167-R171 PolarHBondContact O-N 3.28Å
168E96.6Very high92.7Very high84 Ų8499.2 Ų99.239%0.39350%0.502SS..Hα-helixtrans-61.8-46174.4-168.8-156.1147.200111.4S164 R165 V166 R171 L172S164-E168 PolarHBondContact O-N 2.9Å; R165-E168 VanDerWaalsContact CD-OE2 3.3Å; R165-E168 WeakPolarHBondContact CD-OE2 3.29Å; R165-E168 IonicContact CZ-OE1 2.84Å; R165-E168 IonicContact CZ-OE2 3.69Å; R165-E168 IonicContact NE-OE2 3.91Å; R165-E168 IonicContact NH1-OE1 3.77Å; R165-E168 PolarHBondContact NH1-OE1 2.84Å; R165-E168 IonicContact NH1-OE2 3.71Å; R165-E168 PolarHBondContact NH1-OE2 2.82Å; R165-E168 PolarHBondContact O-N 3.43Å; V166-E168 VanDerWaalsContact C-N 3.35Å; V166-E168 PolarHBondContact O-N 2.95Å; E168-R171 PolarHBondContact O-N 3.22Å; E168-L172 HydrophobicContact CG-CD1 4.42Å; E168-L172 PolarHBondContact O-N 3.32Å
169L95.4Very high90.8Very high79 Ų79102.2 Ų102.241%0.41452%0.516SS..Hα-helixtrans-66.2-39.6177.3-70.5170.6000112.2R165 V166 L172 V173R165-L169 HydrophobicContact CG-CD1 4.24Å; R165-L169 WeakPolarHBondContact O-CB 3.34Å; R165-L169 VanDerWaalsContact O-CG 3.31Å; R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.48Å; V166-L169 PolarHBondContact O-N 2.96Å; L169-L172 HydrophobicContact CD2-CD1 4.25Å; L169-L172 WeakPolarHBondContact O-CB 3.34Å; L169-L172 PolarHBondContact O-N 3.17Å; L169-L172 VanDerWaalsContact O-N 3.15Å; L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.4Å
170Q94.9Very high88.6Confident119 Ų119106.6 Ų106.656%0.55653%0.533SS*.Hα-helixtrans-60.8-43.7172.2-74.2167.9-13.900111.5V166 L172 V173 Q174V166-Q170 HydrophobicContact CG1-CG 4.4Å; V166-Q170 WeakPolarHBondContact O-CB 3.35Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.4Å; V166-Q170 PolarHBondContact O-N 2.85Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; Q170-L172 PolarHBondContact O-N 3.35Å; Q170-V173 PolarHBondContact O-N 2.91Å; Q170-Q174 VanDerWaalsContact O-CB 3.24Å; Q170-Q174 WeakPolarHBondContact O-CB 3.42Å; Q170-Q174 PolarHBondContact O-N 3.28Å
171R93.8Very high86.2Confident139 Ų139108.5 Ų108.553%0.52555%0.548SS..Hα-helixtrans-66-26.4174.2-70.1171.6-168.1116.86.1113.1Q167 E168 R175Q167-R171 VanDerWaalsContact CB-NH1 3.34Å; Q167-R171 WeakPolarHBondContact O-CB 3.46Å; Q167-R171 VanDerWaalsContact O-CG 3.23Å; Q167-R171 WeakPolarHBondContact O-CG 3.43Å; Q167-R171 PolarHBondContact O-N 3.28Å; E168-R171 PolarHBondContact O-N 3.22Å; R171-R175 WeakPolarHBondContact O-CG 3.45Å; R171-R175 PolarHBondContact O-NH1 3.44Å
172L93.7Very high83.5Confident67 Ų67107.3 Ų107.335%0.35155%0.549SS..Hα-helixtrans-74.3-50.7173-82.2157.7000111.4E168 L169 Q170 R175 M176E168-L172 HydrophobicContact CG-CD1 4.42Å; E168-L172 PolarHBondContact O-N 3.32Å; L169-L172 HydrophobicContact CD2-CD1 4.25Å; L169-L172 WeakPolarHBondContact O-CB 3.34Å; L169-L172 PolarHBondContact O-N 3.17Å; L169-L172 VanDerWaalsContact O-N 3.15Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; Q170-L172 PolarHBondContact O-N 3.35Å; L172-R175 PolarHBondContact O-N 3.25Å; L172-M176 PolarHBondContact O-N 2.89Å
173V92.5Very high80.7Confident70 Ų70109.1 Ų109.142%0.42456%0.56SS.*Hα-helixtrans-58.7-49.5177.9171.30000110.9L169 Q170 R175 M176 D177L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.4Å; Q170-V173 PolarHBondContact O-N 2.91Å; V173-R175 PolarHBondContact O-N 2.93Å; V173-M176 HydrophobicContact CG2-CE 4.31Å; V173-M176 PolarHBondContact O-N 3.46Å; V173-D177 WeakPolarHBondContact CG1-OD2 3.39Å; V173-D177 PolarHBondContact O-N 3.18Å
174Q90.4Very high78.2Confident138 Ų138111.2 Ų111.265%0.64558%0.576SS**Hα-helixtrans-59.6-22.3179.6-17560.593.100114.1Q170Q170-Q174 VanDerWaalsContact O-CB 3.24Å; Q170-Q174 WeakPolarHBondContact O-CB 3.42Å; Q170-Q174 PolarHBondContact O-N 3.28Å
175R90.1Very high75.6Confident147 Ų147113.5 Ų113.556%0.55559%0.589SS**Hα-helixtrans-81.4-34.5171.6-75.6-171.1-60.8-96.86.5113R171 L172 V173 E179R171-R175 WeakPolarHBondContact O-CG 3.45Å; R171-R175 PolarHBondContact O-NH1 3.44Å; L172-R175 PolarHBondContact O-N 3.25Å; V173-R175 PolarHBondContact O-N 2.93Å; R175-E179 WeakPolarHBondContact O-CG 3.47Å
176M84.1Confident73Confident127 Ų127114.2 Ų114.263%0.62661%0.607SS**Hα-helixtrans-69.8-42.7177-61.7-170-57.500111L172 V173 G178 E179L172-M176 PolarHBondContact O-N 2.89Å; V173-M176 HydrophobicContact CG2-CE 4.31Å; V173-M176 PolarHBondContact O-N 3.46Å; M176-G178 PolarHBondContact O-N 2.88Å; M176-E179 PolarHBondContact O-N 3.25Å
177D77.9Confident70.4Confident110 Ų110115.9 Ų115.959%0.58862%0.621SS**THydrogen-bonded Turntrans-64.9-11.4179.9-56.9-26.7000113.7V173V173-D177 WeakPolarHBondContact CG1-OD2 3.39Å; V173-D177 PolarHBondContact O-N 3.18Å
178G61.2Low67.8Low55 Ų55117.2 Ų117.257%0.56764%0.64SS**THydrogen-bonded Turntrans-96.9-13.5-179.500000115.8M176M176-G178 PolarHBondContact O-N 2.88Å
179E57.8Low65.3Low163 Ų163118.4 Ų118.476%0.76266%0.658SS**SBendtrans-93.6-11.5-171.1-67.1-90.1131.800113.7R175 M176 V181R175-E179 WeakPolarHBondContact O-CG 3.47Å; M176-E179 PolarHBondContact O-N 3.25Å; E179-V181 PolarHBondContact O-N 3.07Å; E179-V181 VanDerWaalsContact O-N 3.1Å
180E51.1Low63Low180 Ų180119 Ų11984%0.84167%0.668SS**THydrogen-bonded Turntrans-71.42.9-178.8-80.1-101.2118.200114.9
181V48.4Very low60.7Low138 Ų138123.9 Ų123.984%0.83669%0.688SS**THydrogen-bonded Turntrans-123.340.4-176.2-158.80000113.1E179E179-V181 PolarHBondContact O-N 3.07Å; E179-V181 VanDerWaalsContact O-N 3.1Å
182C40.8Very low58.8Low98 Ų98122.6 Ų122.666%0.66270%0.696SS**SBendtrans-154.7172.6154.6-149.30000112.1
183N40Very low56.6Low148 Ų148126.9 Ų126.979%0.79172%0.719SS**  trans69.273.5167.2-53.3-39.9000118.1
184T44.6Very low54.4Low135 Ų135130 Ų13083%0.82874%0.738SS**  trans-129.2151.7145.6550000110.1
185P43.4Very low52.4Low116 Ų116130.7 Ų130.775%0.75375%0.745SS**  cis-136.2120.8-3333.6-15.9000112.8
186T42.5Very low50.1Low136 Ų136128 Ų12883%0.83475%0.749SS**  trans-141.6113.5175.8-60.80000113.8
187S43.1Very low48.4Very low103 Ų103128.1 Ų128.172%0.7276%0.759SS**  trans43.7109.5146.2-530000121.8
188S41.3Very low47Very low110 Ų110128.6 Ų128.677%0.76976%0.762SS**  72.1132.6129.8670000122.6
189S44Very low46.9Very low109 Ų109131.8 Ų131.876%0.76277%0.766SS**  trans95.4154.8147.987.90000119.8
190S48.5Very low46.7Very low90 Ų90131.4 Ų131.463%0.62977%0.769SS**  trans72.379.3153.8-50.20000118.2T192S190-T192 PolarHBondContact O-N 2.74Å
191F46.6Very low47Very low222 Ų222126.8 Ų126.897%0.97475%0.753SS**  trans-53.9119.8155.6-58-86.9000110.1
192T53Low47.7Very low113 Ų113122.5 Ų122.569%0.69373%0.732SS**  trans-122.9130.2172.850.30000110.1S190 T194S190-T192 PolarHBondContact O-N 2.74Å; T192-T194 PolarHBondContact O-N 2.9Å
193N47.3Very low48.3Very low156 Ų156122.8 Ų122.883%0.83473%0.726SS**  trans-78.6103.7178-67.7-65.9000109.2I195N193-I195 VanDerWaalsContact C-N 3.28Å; N193-I195 PolarHBondContact O-N 2.98Å
194T46.2Very low49.5Very low136 Ų136124.5 Ų124.583%0.83472%0.722SS**  trans-73.98017338.50000111T192 S196T192-T194 PolarHBondContact O-N 2.9Å; T194-S196 PolarHBondContact O-N 3.29Å; T194-S196 VanDerWaalsContact O-N 3.09Å
195I48.7Very low50.1Low152 Ų152122.8 Ų122.878%0.77971%0.707SS**  trans-67.8104.3170.5-63.8171000108.1N193N193-I195 VanDerWaalsContact C-N 3.28Å; N193-I195 PolarHBondContact O-N 2.98Å
196S41.2Very low51.1Low92 Ų92121.2 Ų121.264%0.64369%0.691SS**  trans-79.5127.1173.9-170.90000109.9T194 N198T194-S196 PolarHBondContact O-N 3.29Å; T194-S196 VanDerWaalsContact O-N 3.09Å; S196-N198 PolarHBondContact O-N 3.21Å
197P48.2Very low51.9Low129 Ų129118.5 Ų118.584%0.83868%0.678SS**SBendtrans-83.247.2-171.735.2-37.7000113.2
198N48.5Very low52.5Low120 Ų120119.3 Ų119.364%0.64268%0.681SS**SBendtrans-157.3130.4168.8-164.1-3.8000111.9S196S196-N198 PolarHBondContact O-N 3.21Å
199N58.9Low53.1Low122 Ų122116.7 Ų116.765%0.65266%0.66SS**SBendtrans72.7140.6-177.8-48.9-79000116.4V201N199-V201 PolarHBondContact O-N 2.72Å
200N55.4Low53.8Low154 Ų154117.2 Ų117.282%0.82467%0.671SS**SBendtrans-85.942-160.5-52.6-6.5000113.4
201V57.1Low54.6Low84 Ų84117.5 Ų117.551%0.50967%0.673SS.*  trans-115.7102-169.1175.70000111.3N199 L203N199-V201 PolarHBondContact O-N 2.72Å; V201-L203 HydrophobicContact CG1-CD2 3.82Å; V201-L203 HydrophobicContact CG1-CG 4.18Å
202A63.5Low55.3Low48 Ų48110.1 Ų110.140%0.39766%0.659SS.*EExtended strand (participates in β ladder)trans-81.8114.5166.600000109.9L219A202-L219 PolarHBondContact O-N 3.43Å; A202-L219 VanDerWaalsContact O-N 3.1Å
203L52.8Low55.6Low103 Ų103109 Ų10954%0.53965%0.653SS.*EExtended strand (participates in β ladder)trans-91.5120.6168-62.9-175.3000109.8V201 Y216 C218V201-L203 HydrophobicContact CG1-CD2 3.82Å; V201-L203 HydrophobicContact CG1-CG 4.18Å; L203-Y216 HydrophobicContact CB-CD1 4.27Å; L203-C218 HydrophobicContact CD2-CB 4.17Å
204R65Low56.3Low185 Ų185104.6 Ų104.670%0.69863%0.632SS**EExtended strand (participates in β ladder)trans-101.5133.8163.8-90.1-175170.4170.2-2110.2R217R204-R217 PolarHBondContact N-O 3.36Å; R204-R217 PolarHBondContact O-N 3.41Å
205L57.9Low56.8Low99 Ų99103.8 Ų103.852%0.51862%0.621SS.*EExtended strand (participates in β ladder)trans-71126.7168.3-178.567000109.1P214 Y216L205-P214 HydrophobicContact CD1-CB 3.68Å; L205-Y216 HydrophobicContact CB-CE1 4.32Å; L205-Y216 HydrophobicContact CD1-CD1 4.41Å; L205-Y216 HydrophobicContact CD1-CE1 4.05Å
206I63.9Low57.7Low82 Ų82103.2 Ų103.242%0.42161%0.609SS.*EExtended strand (participates in β ladder)trans-111.579.8176.8-53.2-170.4000108.9M215 R217I206-M215 PolarHBondContact N-O 3.19Å; I206-R217 HydrophobicContact CD1-CB 3.52Å; I206-R217 HydrophobicContact CD1-CG 4.21Å; I206-R217 HydrophobicContact CG1-CB 4.16Å
207S58.9Low58.7Low80 Ų80106.5 Ų106.556%0.55961%0.608SS**EExtended strand (participates in β ladder)trans65.3147.4175-54.10000116.2T209S207-T209 PolarHBondContact O-N 2.93Å
208P56.8Low59.1Low120 Ų120103.7 Ų103.778%0.77959%0.591SS**EExtended strand (participates in β ladder)trans-68.7128.1162.429.8-32.3000109.1
209T53.5Low59.7Low54 Ų54101.2 Ų101.233%0.33158%0.577SS.*  trans-84.5150.917065.40000109.9S207 S211 G212 V213 M215S207-T209 PolarHBondContact O-N 2.93Å; T209-S211 PolarHBondContact O-N 3.13Å; T209-G212 PolarHBondContact O-N 2.94Å; T209-V213 PolarHBondContact OG1-N 3.15Å; T209-V213 PolarHBondContact OG1-O 2.84Å; T209-M215 HydrophobicContact CG2-CG 4.27Å
210A59Low59.3Low121 Ų121100.4 Ų100.4100%158%0.581SS**THydrogen-bonded Turntrans-66.3-5.2-178.500000114.5
211S64.8Low59.1Low95 Ų95100.9 Ų100.966%0.66458%0.578SS**THydrogen-bonded Turntrans-101.415.1172.369.90000113.5T209 V213T209-S211 PolarHBondContact O-N 3.13Å; S211-V213 VanDerWaalsContact C-N 3.25Å; S211-V213 PolarHBondContact O-N 2.88Å
212G61.1Low58.4Low67 Ų67103.6 Ų103.669%0.69159%0.59SS**SBendtrans75.9-0.8173.900000116.1T209 P214T209-G212 PolarHBondContact O-N 2.94Å; G212-P214 WeakPolarHBondContact O-CD 3.5Å
213V59.2Low57.5Low91 Ų91107.4 Ų107.455%0.55261%0.611SS**  trans-90.7119.8-177.9-175.40000110.3T209 S211T209-V213 PolarHBondContact OG1-N 3.15Å; T209-V213 PolarHBondContact OG1-O 2.84Å; S211-V213 VanDerWaalsContact C-N 3.25Å; S211-V213 PolarHBondContact O-N 2.88Å
214P61.3Low57.1Low63 Ų63110.2 Ų110.241%0.40963%0.625SS.*EExtended strand (participates in β ladder)trans-76123.8176.729.5-33.5000111.5L205 G212 Y216L205-P214 HydrophobicContact CD1-CB 3.68Å; G212-P214 WeakPolarHBondContact O-CD 3.5Å; P214-Y216 HydrophobicContact CB-CD2 4.46Å; P214-Y216 HydrophobicContact CB-CE2 3.76Å; P214-Y216 HydrophobicContact CG-CE2 3.79Å
215M58.1Low55.8Low119 Ų119110.1 Ų110.159%0.58663%0.633SS**EExtended strand (participates in β ladder)trans-88.6112.4174.5-84.1-96.7-75.300110.7I206 T209I206-M215 PolarHBondContact N-O 3.19Å; T209-M215 HydrophobicContact CG2-CG 4.27Å
216Y67.1Low54.8Low139 Ų139111.4 Ų111.455%0.54565%0.65SS.*EExtended strand (participates in β ladder)trans-99.4134.2172.8-63.9-81.9000111.1L203 L205 P214L203-Y216 HydrophobicContact CB-CD1 4.27Å; L205-Y216 HydrophobicContact CB-CE1 4.32Å; L205-Y216 HydrophobicContact CD1-CD1 4.41Å; L205-Y216 HydrophobicContact CD1-CE1 4.05Å; P214-Y216 HydrophobicContact CB-CD2 4.46Å; P214-Y216 HydrophobicContact CB-CE2 3.76Å; P214-Y216 HydrophobicContact CG-CE2 3.79Å
217R62.2Low53.5Low161 Ų161112.5 Ų112.561%0.60867%0.665SS**EExtended strand (participates in β ladder)trans-108.1122.7171-171175.1-172.2176.24.3110.3R204 I206 L219R204-R217 PolarHBondContact N-O 3.36Å; R204-R217 PolarHBondContact O-N 3.41Å; I206-R217 HydrophobicContact CD1-CB 3.52Å; I206-R217 HydrophobicContact CD1-CG 4.21Å; I206-R217 HydrophobicContact CG1-CB 4.16Å; R217-L219 HydrophobicContact CG-CD2 4.4Å
218C56.2Low52.7Low71 Ų71115.2 Ų115.248%0.4868%0.679SS.*EExtended strand (participates in β ladder)trans-69130.9167.2-176.60000110.1L203L203-C218 HydrophobicContact CD2-CB 4.17Å
219L60.5Low51.6Low67 Ų67115 Ų11535%0.35168%0.679SS.*EExtended strand (participates in β ladder)trans-116.7107.9170.8-60.3177.3000108.8A202 R217A202-L219 PolarHBondContact O-N 3.43Å; A202-L219 VanDerWaalsContact O-N 3.1Å; R217-L219 HydrophobicContact CG-CD2 4.4Å
220S50.7Low51.1Low106 Ų106118.2 Ų118.274%0.74170%0.7SS**  trans-70.4132.8162.4-54.70000108.8
221Q51.3Low50.1Low164 Ų164121.3 Ų121.377%0.76669%0.693SS**  trans-108126.4166.9-71.4-174-45.700109
222D42.7Very low48.7Very low140 Ų140122.6 Ų122.675%0.74970%0.701SS**  trans-70.3133.5175.1-61-61000110.3L224D222-L224 PolarHBondContact O-N 3.36Å
223P44.8Very low47.8Very low129 Ų129125.7 Ų125.784%0.83871%0.709SS**  trans-75.487.2176.330.9-33.8000110.2
224L45Very low46.8Very low162 Ų162124.4 Ų124.485%0.84871%0.714SS**PPolyproline II helixtrans-69.1143.9174.1-76.9177.4000112D222D222-L224 PolarHBondContact O-N 3.36Å
225Q36.4Very low45.7Very low183 Ų183128.5 Ų128.586%0.85574%0.738SS**PPolyproline II helixtrans-68.3138-168.5-61.9157.310.500111.9
226S37.7Very low44.7Very low126 Ų126127.7 Ų127.788%0.88175%0.75SS**PPolyproline II helixtrans-98.3121.5160.7-171.60000108.4
227S36.9Very low43.3Very low105 Ų105127.3 Ų127.373%0.73477%0.768SS**  trans-114.6128.7-177.448.30000111.3
228T41.3Very low42.1Very low137 Ų137122.6 Ų122.684%0.8477%0.77SS**  trans-132.6111.616651.50000108.9
229S34.7Very low41.3Very low114 Ų114125.3 Ų125.380%0.79778%0.784SS**  trans-68.7163.7-179.1-430000113
230T42.8Very low40Very low123 Ų123130.2 Ų130.276%0.75581%0.805SS**  -170.5109.5127-74.30000111.5
231E37.8Very low39.3Very low185 Ų185136.5 Ų136.586%0.86481%0.814SS**  trans61.5167.5146.9-61.3-176.2126.100122.8
232C34.6Very low38.6Very low123 Ų123134.6 Ų134.683%0.83181%0.814SS**  trans-139-143.9-155.9-64.30000111.7
233P42.2Very low38.2Very low131 Ų131133.3 Ų133.385%0.85182%0.816SS**  -128.6175.6-91.939.3-23.6000116
234G38.4Very low37.9Very low64 Ų64132.1 Ų132.166%0.6681%0.81SS**  trans154159.8160.300000113.2
235T38.4Very low37.6Very low150 Ų150129.1 Ų129.192%0.9280%0.803SS**  cis-164.1154.9-16.2-0.80000108.6
236A36.7Very low37.6Very low102 Ų102128.9 Ų128.984%0.84380%0.801SS**  trans-64.2159-172.200000117.3
237S38.6Very low38.1Very low131 Ų131127.8 Ų127.892%0.91679%0.791SS**  175.1156.9122.3-166.70000112.4
238G36.6Very low38.2Very low62 Ų62127.9 Ų127.964%0.63979%0.792SS**  trans138.777161.700000119.2
239T39Very low38.1Very low127 Ų127127 Ų12778%0.77979%0.786SS**  trans8.5120.8142.952.30000119.2
240E33.5Very low38.3Very low171 Ų171128.7 Ų128.780%0.79979%0.785SS**  66.8126.375.3-73.9-164.6174.700117
241Y36.9Very low38.2Very low238 Ų238130 Ų13093%0.93378%0.783SS**  trans-163162.3136-108.4-70.4000110.8
242V36Very low38.2Very low124 Ų124126.3 Ų126.375%0.75278%0.778SS**  trans-137.8140.6-153.5173.60000115
243S34.4Very low38.5Very low113 Ų113128.8 Ų128.879%0.7978%0.777SS**  trans-179.3135145.1-78.70000109.3
244S38Very low38.3Very low103 Ų103131.7 Ų131.772%0.7278%0.776SS**  cis76.113349.2-1500000112.7
245S38.6Very low38.4Very low100 Ų100134.5 Ų134.570%0.69978%0.782SS**  cis-157.2138.715.4-23.10000115.3
246H36.6Very low38.2Very low178 Ų178133.4 Ų133.482%0.82478%0.775SS**  2.1172.4128.5-69.1-55.1000123.3
247P49.2Very low38.3Very low103 Ų103136.4 Ų136.467%0.66978%0.777SS**  cis-152.2-171.9-33.743.5-24.7000117.7
248S37Very low38.2Very low106 Ų106136 Ų13674%0.74177%0.769SS**  trans78.5161.8148.9-59.60000118.8
249V39.6Very low37.9Very low118 Ų118141 Ų14172%0.71578%0.777SS**  -165.4129.750.6162.80000113.6
250L39Very low37.9Very low150 Ų150139 Ų13979%0.78577%0.774SS**  trans60166.8152.7-61.8176.2000120.6
251Q40.3Very low37.9Very low151 Ų151137.4 Ų137.471%0.70677%0.771SS**  cis179.8159.1-23.9172.7-176.7-11.700108.3
252S38.3Very low38Very low108 Ų108136.7 Ų136.776%0.75577%0.768SS**  cis-176-168.1-37-168.60000109.5
253Q41.1Very low38Very low175 Ų175136 Ų13682%0.81877%0.769SS**  trans90.5144.3167.4-62.9-1791.500121.5
254K37.8Very low38.1Very low192 Ų192136.7 Ų136.784%0.83577%0.77SS**  trans-138.9160.9174.3-57.9179.9-179.8-1780107.9
255P40.8Very low38.3Very low122 Ų122137.2 Ų137.279%0.79277%0.774SS**  -145147.697.730.5-11.5000113.5
256V33.9Very low38.3Very low127 Ų127138.7 Ų138.777%0.7778%0.779SS**  63.294.771.6-173.50000115.7
257L39.4Very low38.5Very low166 Ų166138.9 Ų138.987%0.86979%0.785SS**  trans-157.9164147-69.6-176.2000106.9
258T37.3Very low37.9Very low123 Ų123137.3 Ų137.376%0.75579%0.787SS**  cis-163.5147.2-39.7-85.60000106.1
259M28.9Very low37.7Very low166 Ų166143.2 Ų143.282%0.81879%0.793SS**  trans-71.7144.7-172.5-65.3-96.8-77.700114.2
260A39.9Very low37.9Very low86 Ų86141.7 Ų141.771%0.71179%0.793SS**  trans-136.4127.7161.500000110.1
261N32.7Very low37.9Very low137 Ų137140.7 Ų140.773%0.73379%0.788SS**  trans-95.7129.6-176.4-56.3-64.8000111.2
262Y39.9Very low38.1Very low222 Ų222139.3 Ų139.387%0.87179%0.791SS**  trans-137.5136.9162.2-74.4-74.5000111.7
263S35.1Very low38.1Very low110 Ų110139.4 Ų139.477%0.76979%0.786SS**  trans-88.7140.5-167.8-53.20000113.2
264P37.6Very low38.2Very low127 Ų127137.9 Ų137.983%0.82578%0.781SS**  trans-82.3118.917131.9-32000111.5
265S41.8Very low38.1Very low114 Ų114136.5 Ų136.580%0.79778%0.777SS**  trans-106.7100.7175.5-76.10000112.3
266V38.8Very low37.9Very low131 Ų131139.5 Ų139.579%0.79478%0.778SS**  trans20.2115.5145.5-165.80000118.3
267L39.7Very low38.2Very low183 Ų183139.7 Ų139.796%0.95878%0.779SS**  trans177.9168.8131.3-97.6158.8000111.2
268G36.7Very low38.2Very low69 Ų69137.6 Ų137.671%0.71177%0.774SS**  trans108.235163.500000119.2A270G268-A270 PolarHBondContact O-N 2.84Å
269R32.7Very low38.1Very low230 Ų230138.6 Ų138.687%0.86877%0.774SS**  trans-73.2104.8174.9-178.5-176.2180178.33112.2
270A44.6Very low38.7Very low87 Ų87136.6 Ų136.672%0.71977%0.772SS**  trans-113.8122169.500000111.2G268G268-A270 PolarHBondContact O-N 2.84Å
271N38.1Very low38.6Very low128 Ų128137.4 Ų137.468%0.68477%0.772SS**  trans-92.1105.6174.7-77.19.2000109.8
272T44.9Very low38.9Very low123 Ų123135.5 Ų135.576%0.75578%0.775SS**  trans-91.9108.8173-37.40000110.4
273V39.6Very low39.1Very low109 Ų109132.6 Ų132.666%0.66177%0.773SS**  trans-89.3105.5176.1179.40000109.6
274M42.7Very low39.3Very low143 Ų143135 Ų13570%0.70478%0.777SS**  trans-86.2109.6173.4-70.6-64.5-74.800110.5F276M274-F276 HydrophobicContact CB-CE2 4.4Å; M274-F276 PolarHBondContact O-N 3.11Å
275H35.9Very low39.2Very low163 Ų163134.9 Ų134.976%0.75578%0.78SS**  trans-79.2111.2172.3-76.2-97000110.5
276F36.8Very low39.2Very low186 Ų186136.1 Ų136.182%0.81678%0.782SS**  trans-81.6118.8168.6-70.8-86.4000110.2M274M274-F276 HydrophobicContact CB-CE2 4.4Å; M274-F276 PolarHBondContact O-N 3.11Å
277V38.9Very low39.1Very low130 Ų130133.7 Ų133.779%0.78878%0.784SS**  trans-99.296.9173.1-178.20000108.9N279V277-N279 PolarHBondContact O-N 3.24Å
278T39.8Very low38.8Very low123 Ų123128.7 Ų128.776%0.75578%0.777SS**  trans-77.697.7171.246.80000110T280T278-T280 PolarHBondContact O-N 3.2Å
279N34.7Very low39.1Very low144 Ų144134.1 Ų134.177%0.7779%0.789SS**  trans-87.1104.4176.8-162.421.8000110.2V277V277-N279 PolarHBondContact O-N 3.24Å
280T42Very low39.3Very low124 Ų124127.3 Ų127.376%0.76178%0.781SS**  trans-111.7101.3-179.452.40000111.1T278 A282T278-T280 PolarHBondContact O-N 3.2Å; T280-A282 PolarHBondContact O-N 2.97Å
281S38.7Very low39.3Very low103 Ų103129.9 Ų129.972%0.7279%0.788SS**  trans-81.699.9177.4-55.70000111.3
282A37.7Very low39.2Very low97 Ų97130.8 Ų130.880%0.80279%0.793SS**  trans-71.7138166.500000110.3T280T280-A282 PolarHBondContact O-N 2.97Å
283I45.1Very low39.2Very low161 Ų161130.5 Ų130.583%0.82680%0.796SS**  trans-117.1138.3173.445.8174.4000109.7
284N37.7Very low39.2Very low159 Ų159132.4 Ų132.485%0.8580%0.803SS**  trans-74135.8-166.1-67.1-30.4000113
285S35.5Very low39.1Very low126 Ų126131.2 Ų131.288%0.88180%0.804SS**  trans-85.7133.2160.6-59.70000110.4
286T43Very low39.5Very low139 Ų139130.2 Ų130.285%0.85381%0.809SS**  trans-139.2150.6171.252.10000110
287G36.6Very low39.5Very low80 Ų80126.7 Ų126.783%0.82581%0.808SS**  trans111.962.6176.100000115.4
288G32.5Very low39.7Very low79 Ų79129 Ų12981%0.81482%0.815SS**  trans-86.8136.3157.300000110
289L43.8Very low39.6Very low182 Ų182129.2 Ų129.295%0.95382%0.815SS**  trans-113.1143.8170.5-76.2171.5000109.7
290A36Very low39.8Very low87 Ų87128.1 Ų128.172%0.71982%0.819SS**  trans-104.3151.2-175.700000112.2
291T45.8Very low39.5Very low141 Ų141127.3 Ų127.387%0.86582%0.819SS**  trans-145.5130153.947.70000108.7
292D35.5Very low39.7Very low148 Ų148127.1 Ų127.179%0.79182%0.817SS**  trans-83.2158.5-171.2-43.3-96000113.3
293S45.2Very low39.9Very low117 Ų117131.1 Ų131.182%0.81882%0.819SS**  17197.8125-77.50000114.4
294N40.1Very low39.7Very low148 Ų148128.6 Ų128.679%0.79182%0.816SS**  trans18123.8139.7-75-16.1000122.5
295T40.5Very low39.8Very low119 Ų119125.2 Ų125.273%0.7381%0.81SS**  88.7151.6126.1620000123
296T44.2Very low40.3Very low141 Ų141128.9 Ų128.987%0.86581%0.81SS**  trans77.1117170.168.40000117.8
297S35.8Very low40Very low112 Ų112127.3 Ų127.378%0.78381%0.805SS**  trans-101.4130.7169.354.50000110.2
298L43.5Very low41Very low180 Ų180129.7 Ų129.794%0.94281%0.806SS**  trans-139.8149.2155.3-81.7-175.5000111.1
299V38.4Very low41.6Very low126 Ų126131.6 Ų131.676%0.76481%0.806SS**  trans-93.4138.2-178.437.10000110.3
300S38.1Very low41.3Very low121 Ų121129.4 Ų129.485%0.84680%0.801SS**  trans-164.1139.3148.1-83.20000111.5
301S34.9Very low42Very low108 Ų108131.4 Ų131.476%0.75581%0.809SS**  trans-89.4155.1171.5-50.10000110.8
302S43.4Very low41.8Very low99 Ų99130.2 Ų130.269%0.69281%0.807SS**  trans166.3121.5131.6-80.40000115.5
303H41.7Very low42.7Very low181 Ų181128.7 Ų128.784%0.83881%0.808SS**  trans55.1162.3133.7-54.7-61.7000123.8
304S41.5Very low42.7Very low107 Ų107131.3 Ų131.375%0.74881%0.813SS**  trans64.9110.6179.5-141.30000115.6
305A41Very low43.2Very low88 Ų88128.2 Ų128.273%0.72782%0.815SS**  cis70.2110.74300000114.2
306F45.4Very low43.4Very low204 Ų204128 Ų12890%0.89582%0.819SS**  trans-161138.1158-118.3-76000109.9
307S36.2Very low43.4Very low105 Ų105126 Ų12673%0.73481%0.81SS**  trans-132.6136173.5-58.40000109.5
308P57.9Low44.1Very low130 Ų130127.2 Ų127.284%0.84481%0.813SS**PPolyproline II helixtrans-89142.6168.834-31000111.4
309S44.1Very low44.1Very low119 Ų119122 Ų12283%0.83280%0.802SS**PPolyproline II helixtrans-91164.8-179-59.80000113.1
310V38.4Very low44.7Very low137 Ų137122.2 Ų122.283%0.8381%0.807SS**PPolyproline II helixtrans-64.8157.2175.1-64.20000113.4
311S49.7Very low44.9Very low128 Ų128120.6 Ų120.690%0.89580%0.8SS**  trans-147126.2157.4-74.50000109.2
312S42.4Very low45.2Very low117 Ų117127 Ų12782%0.81881%0.808SS**  trans-112.4150.6177.248.50000110.3
313S54.1Low45.6Very low116 Ų116127.7 Ų127.781%0.81181%0.813SS**  trans-151.2109.717558.60000110.5
314D45.5Very low45.7Very low172 Ų172126.9 Ų126.992%0.9281%0.814SS**  trans-71.3149.5173.1-67.7-68.2000111.9
315G50.5Low46Very low82 Ų82128 Ų12885%0.84582%0.822SS**  trans-152.4120.2172.900000109.9
316S45.2Very low46.2Very low116 Ų116132.6 Ų132.681%0.81183%0.828SS**  trans-125.9158.4-164-1730000113.8
317S44.3Very low46.2Very low98 Ų98134.3 Ų134.369%0.68583%0.829SS**  trans98.7150.1149.782.60000121
318T49.1Very low46.9Very low138 Ų138134.3 Ų134.385%0.84783%0.829SS**  trans79.8121.4163.668.20000120.9
319G44.4Very low46.4Very low69 Ų69133.7 Ų133.771%0.71183%0.828SS**  trans-129.1-151.9138.600000107
320P51.9Low47Very low131 Ų131134.2 Ų134.285%0.85183%0.828SS**  cis-137.2-158.6-6.941.3-21.6000113.4
321A42.1Very low47.2Very low87 Ų87131.5 Ų131.572%0.71983%0.827SS**  trans89.5109.5150.700000123.2
322R41.6Very low46.9Very low244 Ų244129.2 Ų129.292%0.92182%0.824SS**  48.2113.4127.7-66.9-178.6162.6-141-3.7122.5
323S49.7Very low47Very low112 Ų112131.9 Ų131.978%0.78383%0.828SS**  -174.4127.7126-81.40000109.5
324L45.8Very low46.7Very low164 Ų164132.7 Ų132.786%0.85983%0.834SS**  58.798.178.4-69.8179.7000115.6
325S47.7Very low46.4Very low131 Ų131130 Ų13092%0.91683%0.829SS**  trans-174.1158.8135.6-87.50000114.2
326Q45.2Very low46.1Very low185 Ų185131.5 Ų131.586%0.86483%0.826SS**  trans-93.8153.2-168.5-55.9160-13.200113.8
327R45.2Very low46Very low240 Ų240130.6 Ų130.691%0.90682%0.82SS**  trans164.4156.5146.4-93.6157.6-176.9-800109.6
328S50.8Low45.8Very low105 Ų105133 Ų13373%0.73483%0.825SS**  cis-172.2152.3-30.1-920000107.6
329S45.7Very low45.4Very low117 Ų117133 Ų13382%0.81883%0.825SS**  trans-68.1166.9-178.3-32.10000113.8
330P58.3Low45.2Very low130 Ų130135.6 Ų135.684%0.84483%0.832SS**  -131.6-178.363.124.1-1.2000113.3
331G41.5Very low45Very low79 Ų79134.4 Ų134.481%0.81483%0.827SS**  cis125.9124.30.100000112.5
332G43.5Very low44.7Very low80 Ų80137.7 Ų137.783%0.82583%0.833SS**  trans158.2119.5175.700000114.2
333L45.9Very low45.1Very low173 Ų173131.4 Ų131.491%0.90682%0.823SS**  trans-112.3140.3171.4-67170.6000109.3
334S47Very low44.7Very low134 Ų134132.5 Ų132.594%0.93783%0.826SS**  trans-165.4139.2159.4-82.50000110.7
335S39.4Very low44.5Very low116 Ų116130.6 Ų130.681%0.81183%0.826SS**  trans-127.6121.9-177.151.10000111.4
336S44Very low44.2Very low112 Ų112136.2 Ų136.278%0.78383%0.827SS**  trans-161.4116.8164.7-78.60000106.1
337S42.4Very low44.1Very low97 Ų97138.7 Ų138.768%0.67883%0.828SS**  84.3131.158.176.40000114.3
338N39.9Very low43.7Very low149 Ų149132.1 Ų132.180%0.79782%0.819SS**  trans82.9164.1161.1-59.3-17.6000121.9
339T40.9Very low43.1Very low137 Ų137136.4 Ų136.484%0.8483%0.825SS**  trans69.481.6171.255.10000119.6
340S41.1Very low42.8Very low124 Ų124139.9 Ų139.987%0.86782%0.82SS**  trans-31.9132141.5168.20000115
341S48.3Very low42.5Very low107 Ų107140.3 Ų140.375%0.74882%0.82SS**  trans-160132.1138.154.40000111.4
342N34.7Very low42.7Very low156 Ų156141.5 Ų141.583%0.83481%0.808SS**  trans-73.2149.3164.3-108.1-29.4000108.9
343P50.7Low42.6Very low111 Ų111144.9 Ų144.972%0.72181%0.807SS**  -137.8148111.336.9-27.3000114.4
344T39.8Very low42.5Very low136 Ų136143.7 Ų143.783%0.83480%0.802SS**  trans-63.9129.4165.931.70000111.1
345S43.6Very low42.3Very low123 Ų123148.6 Ų148.686%0.8680%0.802SS**  trans-150.8147161.2-920000112.7
346R41.2Very low42.3Very low249 Ų249148.8 Ų148.894%0.9480%0.803SS**  trans-77.8136.7-172.5-57.2171.2178.7-172.6-2.2110.7
347R41.4Very low42.2Very low237 Ų237147.6 Ų147.689%0.89480%0.8SS**  trans-148.5125.5142.5-115.5174-177.7-120.4-1.5109.4
348S37.1Very low42.2Very low103 Ų103149.8 Ų149.872%0.7281%0.809SS**  trans-73.8125.1168.154.30000108.2R350S348-R350 PolarHBondContact O-N 3.33Å
349F39.5Very low41.9Very low194 Ų194148.4 Ų148.485%0.85181%0.811SS**  trans-74.7112.3158-77-85.4000107.6
350R39.7Very low41.9Very low191 Ų191152.3 Ų152.372%0.72181%0.81SS**  trans-82.3132.1153-65.8-175.8173.6-140.91.6106.9S348 D352S348-R350 PolarHBondContact O-N 3.33Å; R350-D352 WeakPolarHBondContact CB-OD2 3.49Å; R350-D352 WeakPolarHBondContact CD-OD2 3.39Å; R350-D352 IonicContact NH1-OD1 2.68Å
351T50.9Low41.7Very low138 Ų138153.8 Ų153.885%0.84780%0.803SS**  trans-114.778.9159.950.60000105.3
352D45.6Very low41.5Very low104 Ų104155.3 Ų155.356%0.55681%0.808SS**  trans-71.1139.5171-54.2-64000108.1R350R350-D352 WeakPolarHBondContact CB-OD2 3.49Å; R350-D352 WeakPolarHBondContact CD-OD2 3.39Å; R350-D352 IonicContact NH1-OD1 2.68Å
353D41.3Very low41.7Very low151 Ų151154.5 Ų154.581%0.80780%0.804SS**  trans37.7108.3154.7-49.3-37.8000120.7
354D43.8Very low41.2Very low149 Ų149155.3 Ų155.380%0.79781%0.812SS**  -172.1105118.5-120.5-27.4000112.8
355Y44.1Very low41.5Very low236 Ų236155.1 Ų155.193%0.92581%0.811SS**  trans-157.545166.2-125.8-79.6000113.3
356S39.4Very low41.2Very low121 Ų121153.3 Ų153.385%0.84681%0.812SS**  trans-137.954.1-174.7-1660000113.6
357A40Very low41Very low87 Ų87147.5 Ų147.572%0.71981%0.809SS**  trans-148.940.6-175.900000115.8
358V43.8Very low41Very low143 Ų143144.4 Ų144.487%0.86781%0.809SS**  trans-117.752.1174.7-157.50000112.3
359S34.2Very low41.5Very low119 Ų119147.8 Ų147.883%0.83281%0.814SS**  trans-147.781.5171.4-77.20000110.2
360R40.1Very low41.5Very low219 Ų219145.3 Ų145.383%0.82681%0.81SS**  trans-134.6118.8165.9-72.2-164-178.8-156.92.1111.2
361E37.4Very low41.6Very low155 Ų155143.8 Ų143.872%0.72481%0.814SS**  trans50.376.4134.8-59.6167.4134.600117.2
362V44.1Very low41.5Very low140 Ų140143.2 Ų143.285%0.84881%0.813SS**  trans-92.899.5147.6-76.20000108.9S364V362-S364 PolarHBondContact O-N 3.37Å
363N38.7Very low41Very low139 Ų139144.2 Ų144.274%0.74382%0.823SS**  trans-66.2124.6-177.3-77.4-26000111.6T365N363-T365 PolarHBondContact O-N 3.3Å
364S39Very low41.1Very low128 Ų128142.5 Ų142.590%0.89582%0.822SS**  trans-84.188.6176.5-67.60000111.3V362V362-S364 PolarHBondContact O-N 3.37Å
365T45.8Very low41Very low131 Ų131140 Ų14080%0.80482%0.822SS**  trans-95.9104.1161.952.40000109N363N363-T365 PolarHBondContact O-N 3.3Å
366G37.5Very low40.9Very low86 Ų86136.1 Ų136.189%0.88782%0.818SS**  trans-75.3136.7179.200000112.5
367S38Very low41Very low126 Ų126133.8 Ų133.888%0.88181%0.813SS**  trans-138.3122.5156.5-168.70000107.7
368L41.2Very low40.8Very low172 Ų172134.3 Ų134.390%0.90181%0.807SS**  trans-115.2119.6-176.1-101.9172.2000108.2
369E47.7Very low40.9Very low174 Ų174134.3 Ų134.381%0.81381%0.808SS**  trans-162.2159.9156.1-122.7164.2-15400113
370N39.2Very low41Very low143 Ų143136.7 Ų136.777%0.76581%0.805SS**  trans68.385.9166.3-57.4-33.7000118.8
371I42.5Very low41.3Very low158 Ų158132.1 Ų132.181%0.8181%0.807SS**  trans-110.6119.1151.3-60.2173.2000108
372P48Very low41.5Very low126 Ų126131.4 Ų131.482%0.81881%0.808SS**  trans-87.4137.1169.733.1-31.2000111.5
373T35.9Very low41.5Very low126 Ų126131.4 Ų131.477%0.77380%0.802SS**  trans-108.8142.4178.852.20000112.7
374S42.2Very low41.8Very low114 Ų114133.3 Ų133.380%0.79780%0.803SS**  trans-150.2134.3161.8-65.90000106.8
375A43Very low41.7Very low96 Ų96133 Ų13379%0.79380%0.799SS**  62.9127.957.600000111.2
376D40.4Very low41.9Very low156 Ų156133.6 Ų133.683%0.83480%0.802SS**  cis-148.11749.4-177.621000110.3
377G43.1Very low42.1Very low71 Ų71140.8 Ų140.873%0.73280%0.802SS**  trans168.145.4176.500000118
378T35.3Very low42Very low98 Ų98142.3 Ų142.360%0.60180%0.799SS**  trans-86.7133.5-179.2-61.40000113.9
379T45.3Very low42.2Very low144 Ų144143.1 Ų143.188%0.88380%0.799SS**  trans-136.8134.9156.747.80000111.3
380H37.6Very low41.7Very low169 Ų169140.2 Ų140.278%0.78280%0.798SS**  trans-113.6139.8-177.1-77.2-84.3000112.2
381S46.4Very low41.9Very low123 Ų123145 Ų14586%0.8681%0.805SS**  trans175.8158.3141.3410000112.5
382N40.6Very low41.7Very low140 Ų140143.4 Ų143.475%0.74981%0.808SS**  cis-164.3144-42-155.6-3.9000109.6
383I45Very low41.6Very low139 Ų139142.5 Ų142.571%0.71380%0.804SS**  trans54.9152.4166.816.5174.8000118.1
384K43.9Very low42Very low179 Ų179141.9 Ų141.978%0.77881%0.805SS**  cis-141.4154.610.8-59178.8179.1171.40111.7
385P38Very low42Very low123 Ų123142 Ų14280%0.79981%0.806SS**  trans-87.5149.5170.835.2-33.9000113
386V48.3Very low42.6Very low143 Ų143143.4 Ų143.487%0.86781%0.807SS**  trans-127120.2172.1-179.40000112.7
387R41.6Very low42.9Very low236 Ų236141.7 Ų141.789%0.89181%0.807SS**  trans-25.3138.9170.9-164.6179.3-171.8101.3-2.1118.7
388L37.4Very low42.8Very low158 Ų158150.2 Ų150.283%0.82782%0.817SS**  trans-49.7144.2166.4-63.6159.5000114.5
389Q44.5Very low43.7Very low190 Ų190151.2 Ų151.289%0.88883%0.828SS**  trans-138131.9143.4-72.4-161.616.200110.5
390S37Very low44.1Very low113 Ų113149.6 Ų149.679%0.7982%0.823SS**  trans-84.8133.7-179.4-46.90000111.4
391R44.6Very low45.4Very low244 Ų244147 Ų14792%0.92182%0.821SS**  trans-137.1121.2160.7-78.9-164.6163.7-139.6-6.4111.1
392S37.1Very low46.2Very low124 Ų124146.8 Ų146.887%0.86782%0.817SS**  trans-92.9132.3179.8-44.70000110.5
393S45.9Very low47.2Very low107 Ų107145.6 Ų145.675%0.74882%0.817SS**  trans-156.6113.6166.455.70000113.1
394S44.9Very low47.5Very low113 Ų113147.2 Ų147.279%0.7983%0.825SS**  trans44.9108.4147.7580000120.1
395S42.3Very low47.5Very low116 Ų116146.1 Ų146.181%0.81183%0.827SS**PPolyproline II helixtrans-68.3141.9157.2-42.60000111.7
396P56.4Low47.7Very low125 Ų125145.7 Ų145.781%0.81283%0.827SS**PPolyproline II helixtrans-81.2147.3159.533.1-31.9000111
397S45.8Very low47.6Very low120 Ų120144.7 Ų144.784%0.83982%0.821SS**PPolyproline II helixtrans-75.5154.8-173.9-62.10000114.3
398R41.9Very low48.2Very low251 Ų251139.1 Ų139.195%0.94781%0.813SS**PPolyproline II helixtrans-52.7133168.8-68.5165.7152.8-143.1-3.2111.6
399S52.2Low49.1Very low119 Ų119137.1 Ų137.183%0.83281%0.809SS**PPolyproline II helixtrans-99.8143.8157.451.30000110.3
400S54.6Low49.2Very low110 Ų110134 Ų13477%0.76980%0.803SS**PPolyproline II helixtrans-86152.4-177.7-58.50000112.2
401P64.4Low50Low115 Ų115136.6 Ų136.675%0.74781%0.807SS**PPolyproline II helixtrans-69.7151.5169.231.1-35.2000111.3
402P64.3Low49.9Very low118 Ų118132.9 Ų132.977%0.76681%0.805SS**PPolyproline II helixtrans-73.5152.1175.631.6-35.3000111.9
403P60.6Low50Low115 Ų115131.4 Ų131.475%0.74780%0.795SS**PPolyproline II helixtrans-76140178.231.3-34.6000112.2L405P403-L405 PolarHBondContact O-N 3.11Å
404I51Low50Low173 Ų173130.9 Ų130.989%0.88780%0.797SS**  trans-75.8110.7167.838.6170.2000110.3
405L44Very low50.1Low156 Ų156135.2 Ų135.282%0.81780%0.797SS**  trans-88.1104.3168.5-79.6171.1000109.9P403P403-L405 PolarHBondContact O-N 3.11Å
406S42.4Very low50.3Low114 Ų114138 Ų13880%0.79780%0.797SS**  trans-81.5109.7165.5600000109.8
407T46.9Very low49.8Very low121 Ų121141 Ų14174%0.74280%0.797SS**  trans-124.8101.1171.8-53.40000109.3P409T407-P409 WeakPolarHBondContact O-CD 3.23Å
408V54.6Low49.8Very low120 Ų120139.9 Ų139.973%0.72779%0.79SS**  trans-94.6116.2175179.20000108.8T410V408-T410 PolarHBondContact O-N 2.82Å; V408-T410 VanDerWaalsContact O-N 3.13Å
409P56.5Low50Low115 Ų115135.1 Ų135.175%0.74778%0.783SS**  trans-82.786.6176.232.6-33.1000110.8T407 L411T407-P409 WeakPolarHBondContact O-CD 3.23Å; P409-L411 PolarHBondContact O-N 2.91Å
410T46.1Very low50.2Low125 Ų125134 Ų13477%0.76778%0.775SS**  trans-76101.9168.4-52.80000109.4V408V408-T410 PolarHBondContact O-N 2.82Å; V408-T410 VanDerWaalsContact O-N 3.13Å
411L52.7Low49.8Very low167 Ų167134.8 Ų134.887%0.87478%0.778SS**  trans-95.3150.8169-82.2176.4000112P409P409-L411 PolarHBondContact O-N 2.91Å
412L43.2Very low49Very low166 Ų166137.2 Ų137.287%0.86978%0.783SS**  trans-101.3154.6-158-166.363.9000113.2
413S38.8Very low48.2Very low93 Ų93140 Ų14065%0.6579%0.785SS**  trans-40.9135.9175.5-174.50000115.8
414A46.7Very low47.5Very low97 Ų97139 Ų13980%0.80278%0.781SS**  trans-140.9137.9151.300000109.5
415Y46.6Very low47.2Very low203 Ų203135.7 Ų135.780%0.79677%0.773SS**  trans-84.7157.2176.2-84-117.4000111.2
416H45.7Very low47.3Very low175 Ų175136.8 Ų136.881%0.8177%0.774SS**  trans164108.3131.5-81-54.1000108.5
417K46.3Very low47.5Very low187 Ų187137 Ų13781%0.81378%0.776SS**  77.9113.785.4-114.4-175.5178.1-176.80114.2
418S46.5Very low47.4Very low97 Ų97139.8 Ų139.868%0.67879%0.785SS**  trans40.4126.7150.752.60000118.8
419D46.7Very low47Very low152 Ų152141.5 Ų141.581%0.81379%0.79SS**  -162.2-174.970.6-115.5-50.6000116.7
420S54.5Low46.3Very low94 Ų94141.7 Ų141.766%0.65779%0.794SS**  trans-84.9157-164.9-57.50000116.3
421P46.9Very low46.3Very low127 Ų127139.2 Ų139.283%0.82579%0.793SS**  trans-76.9143.3177.131.9-35.5000113.2
422I48.8Very low45.9Very low167 Ų167136.9 Ų136.986%0.85679%0.791SS**  trans-106.6137.3178.1-67.6176.2000110.7
423H45.9Very low46.2Very low177 Ų177134.4 Ų134.482%0.81979%0.786SS**  trans-68144.1174.7-72.7-119.8000112.1
424S47.7Very low46.5Very low94 Ų94137 Ų13766%0.65779%0.792SS**  trans-140.3118.6155.3-109.50000110.5H426S424-H426 WeakPolarHBondContact CB-NE2 3.44Å; S424-H426 PolarHBondContact OG-NE2 3.5Å
425S43.4Very low46.5Very low103 Ų103137.8 Ų137.872%0.7279%0.793SS**  trans-125.990.3-17455.30000109.9
426H47.4Very low46.4Very low179 Ų179136.8 Ų136.883%0.82980%0.795SS**  trans-125.693177.1-42.1-71.1000106.2S424S424-H426 WeakPolarHBondContact CB-NE2 3.44Å; S424-H426 PolarHBondContact OG-NE2 3.5Å
427S45.4Very low46.7Very low119 Ų119132.5 Ų132.583%0.83280%0.797SS**  85.2125.387.8-1660000111.7
428L45Very low46.7Very low179 Ų179130.1 Ų130.194%0.93779%0.794SS**  trans-74.7140.3-175-61.5167.6000110.5
429N45.8Very low46.8Very low156 Ų156133.2 Ų133.283%0.83480%0.802SS**  trans-127.6107.9167.3-17219.8000110.9G431N429-G431 PolarHBondContact O-N 2.87Å
430S42.3Very low46.9Very low118 Ų118129.7 Ų129.783%0.82580%0.801SS**  trans-88.887.4176.454.50000110.7
431G45.9Very low46.4Very low73 Ų73129 Ų12975%0.75381%0.809SS**  trans-86.9107.9175.100000112.4N429N429-G431 PolarHBondContact O-N 2.87Å
432S44.8Very low47Very low118 Ų118132.9 Ų132.983%0.82581%0.813SS**  trans-107.5119.4169.2-178.50000110.3
433C49Very low47.3Very low115 Ų115130.7 Ų130.778%0.77781%0.812SS**  trans-154.3136.2163.353.50000111.3
434N44.6Very low48.1Very low146 Ų146132.4 Ų132.478%0.78182%0.817SS**  trans-71.7147.6172.4-71.7-13.5000110.4
435S46.9Very low48.8Very low115 Ų115139.2 Ų139.280%0.80483%0.828SS**  trans-136.4111.2160.8-74.20000109.2G437S435-G437 PolarHBondContact O-N 3.2Å
436H45.4Very low49.6Very low182 Ų182145.2 Ų145.284%0.84384%0.836SS**  trans-72.2115.8173.5-82.7-114.9000110
437G50.7Low50.7Low84 Ų84146.2 Ų146.287%0.86684%0.837SS**  trans-84.9115.516400000110.3S435S435-G437 PolarHBondContact O-N 3.2Å
438N46.8Very low51.2Low138 Ų138149.6 Ų149.674%0.73884%0.837SS**  trans-142.6157.3172.6-166.610.8000110.5
439L49.8Very low51.9Low161 Ų161156.1 Ų156.184%0.84385%0.849SS**  trans67.197.5174.1-50.3-178000116
440G46.9Very low52.2Low78 Ų78156.1 Ų156.180%0.80485%0.85SS**  trans-148.249.3171.900000112.1
441G45.5Very low52.8Low79 Ų79158.1 Ų158.181%0.81485%0.852SS**  trans-69.3144.2-169.600000115
442K59.1Low53.1Low210 Ų210162.8 Ų162.891%0.91386%0.857SS**  trans-135.9139.2165.5-70.3-172.7177.8178.30110.1
443S55.1Low53.6Low120 Ų120165.5 Ų165.584%0.83986%0.859SS**  trans-84.4133.3-159.6-43.20000114.5
444K63.3Low53.9Low213 Ų213168.6 Ų168.693%0.92686%0.864SS**  trans-74.3125.3158.3-80.7-170.3173.2-173.90109.4
445R62.5Low54.5Low237 Ų237170.1 Ų170.189%0.89487%0.87SS**  trans-80.4114.9168.7-7816362.4-164.72.5109.2
446R60.3Low55.1Low230 Ų230174.1 Ų174.187%0.86887%0.874SS**  trans-72.1136.5155.7-76177.872164.21.4108.1
447K68.9Low55.8Low200 Ų200173.5 Ų173.587%0.8788%0.877SS**  trans-110.3121.9169-167.1-177.1-177.6-172.30106.6
448F56.1Low56.3Low189 Ų189180.9 Ų180.983%0.82988%0.878SS**  trans-73134.7171-90.7-100.5000109.5
449R60.7Low57.1Low316 Ų316184.8 Ų184.8100%1.19289%0.89SS**  trans-149.70135.7-133.9-180-170.7-138.7-2.1109.8

Retrieved 449 of 449 residues in 234.7 ms (Link to these results)