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Fumarate hydratase

Catalyzes the reversible stereospecific interconversion of fumarate to L-malate1. Fumarate metabolism in the cytosol plays a role during urea cycle and arginine metabolism; fumarate being a by-product of the urea cycle and amino-acid catabolism (By similarity).

AlphaFold DB (A0A5K4ESW0), UniProt , Accession A0A3Q0KQY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 488 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.1Very low59.3Low244 Ų244133.5 Ų133.5100%1.20268%0.684SS**  093.30-78.5172.3164.300107.1
2L33.7Very low62Low167 Ų167123.8 Ų123.887%0.87464%0.636SS**  trans-99.4103.7164.6-80.3162.5000104.5T4L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.22Å
3E30.8Very low64.4Low196 Ų196124.3 Ų124.392%0.91663%0.634SS**  trans-58102.2161.1-76.3176.2148.700106.1D5E3-D5 PolarHBondContact O-N 3.15Å
4T40Very low66.5Low130 Ų130117.4 Ų117.480%0.79860%0.599SS**  trans-66.3105.2168.1450000106.2L2 S6L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.22Å; T4-S6 PolarHBondContact O-N 3.45Å
5D44.2Very low68.2Low145 Ų145117.9 Ų117.978%0.77562%0.618SS**  trans-32.7124.2161.7-152.2-1.9000108.7E3 Q7E3-D5 PolarHBondContact O-N 3.15Å; D5-Q7 PolarHBondContact O-N 3.49Å
6S47.1Very low69.9Low103 Ų103118.8 Ų118.872%0.7262%0.622SS**  trans-64.878.1177.1153.80000107.7T4 R8T4-S6 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact O-N 3.26Å
7Q63.4Low71.4Confident110 Ų110113.1 Ų113.151%0.51460%0.599SS.*  trans-57.4110.4177-82.9-175.9-17.700107.1D5 L9 E24D5-Q7 PolarHBondContact O-N 3.49Å; Q7-L9 PolarHBondContact O-N 2.77Å; Q7-E24 PolarHBondContact NE2-OE1 2.6Å
8R86.5Confident72.7Confident186 Ų186115.1 Ų115.170%0.70260%0.602SS**  trans-59.3123.8175.3-72.8-174.6-83.2174.8-5.6106.6S6 L23S6-R8 PolarHBondContact O-N 3.26Å; R8-L23 HydrophobicContact CB-CB 4.06Å; R8-L23 HydrophobicContact CB-CD2 3.85Å; R8-L23 WeakPolarHBondContact O-CB 3.16Å; R8-L23 PolarHBondContact O-N 2.91Å
9L90.3Very high73.9Confident99 Ų99111.3 Ų111.352%0.51858%0.582SS.*EExtended strand (participates in β ladder)trans-97.4143.7-180-60.2174.2000109.8Q7 N20 V21 P22Q7-L9 PolarHBondContact O-N 2.77Å; L9-N20 HydrophobicContact CB-CB 4.26Å; L9-N20 HydrophobicContact CD1-CB 3.97Å; L9-N20 HydrophobicContact CG-CB 4.5Å; L9-V21 CarbonylContact C-O 3.27Å; L9-V21 WeakPolarHBondContact CA-O 3.38Å; L9-P22 HydrophobicContact CD2-CG 4.42Å
10R91.7Very high74.9Confident11 Ų11110.5 Ų110.54%0.04258%0.578CS.*EExtended strand (participates in β ladder)trans-106.3142.116465.9174.8-175.1141.7-0.8109.9V12 V21 L23 R25 Y26 Y27R10-V12 HydrophobicContact CG-CG1 4.25Å; R10-V21 HydrophobicContact CG-CB 4.32Å; R10-V21 WeakPolarHBondContact CG-O 3.41Å; R10-V21 PolarHBondContact N-O 2.92Å; R10-V21 PolarHBondContact O-N 3.2Å; R10-L23 HydrophobicContact CB-CD1 4.03Å; R10-R25 PolarHBondContact NH2-O 3.43Å; R10-Y26 PolarHBondContact NH2-O 3.25Å; R10-Y27 PolarHBondContact NH2-O 3.04Å
11V91.9Very high75.8Confident77 Ų77105.2 Ų105.247%0.46755%0.551SS.*EExtended strand (participates in β ladder)trans-85124.2171.4-175.80000108.3K18V11-K18 HydrophobicContact CG1-CB 3.82Å; V11-K18 HydrophobicContact CG1-CD 3.92Å; V11-K18 HydrophobicContact CG1-CG 3.9Å
12V91.7Very high78.6Confident17 Ų1794.5 Ų94.510%0.10350%0.499CS..EExtended strand (participates in β ladder)trans-120.6159.5171.3-67.80000109R10 K18 I19 V21 A29R10-V12 HydrophobicContact CG-CG1 4.25Å; V12-K18 CarbonylContact O-C 3.24Å; V12-K18 WeakPolarHBondContact O-CA 3.38Å; V12-I19 HydrophobicContact CG2-CG2 3.8Å; V12-I19 WeakPolarHBondContact CG2-O 3.31Å; V12-I19 PolarHBondContact N-O 3.38Å; V12-I19 PolarHBondContact O-N 3.32Å; V12-V21 HydrophobicContact CG2-CB 4.21Å; V12-V21 HydrophobicContact CG2-CG2 3.49Å; V12-V21 VanDerWaalsContact CG2-CG2 3.49Å; V12-A29 HydrophobicContact CB-CB 4.23Å; V12-A29 HydrophobicContact CG2-CB 3.78Å
13E92.6Very high81.3Confident131 Ų13189.9 Ų89.961%0.61248%0.475SS*.EExtended strand (participates in β ladder)trans-137.7139.6-171.5-174.5163.2-172.600111K18E13-K18 HydrophobicContact CB-CG 4.2Å; E13-K18 HydrophobicContact CG-CG 4.14Å; E13-K18 WeakPolarHBondContact OE2-CE 3.41Å
14D93.6Very high84.2Confident27 Ų2784.4 Ų84.414%0.14445%0.449CS..EExtended strand (participates in β ladder)trans-127.4-171.4166.561.816.1000109.5L16 G17 A29 Q30 R33D14-L16 PolarHBondContact O-N 3.34Å; D14-L16 VanDerWaalsContact O-N 3.11Å; D14-L16 WeakPolarHBondContact OD1-CA 3.27Å; D14-L16 WeakPolarHBondContact OD1-CB 3.49Å; D14-L16 PolarHBondContact OD1-N 2.93Å; D14-G17 PolarHBondContact N-O 2.92Å; D14-G17 PolarHBondContact O-N 3.31Å; D14-G17 PolarHBondContact OD1-N 3.43Å; D14-A29 HydrophobicContact CB-CB 3.93Å; D14-Q30 HydrophobicContact CB-CG 4.34Å; D14-R33 VanDerWaalsContact CG-NE 3.3Å; D14-R33 IonicContact OD1-CZ 2.73Å; D14-R33 IonicContact OD1-NE 2.96Å; D14-R33 PolarHBondContact OD1-NE 3.48Å; D14-R33 IonicContact OD1-NH2 2.86Å; D14-R33 PolarHBondContact OD1-NH2 2.84Å; D14-R33 VanDerWaalsContact OD2-CD 3.23Å; D14-R33 WeakPolarHBondContact OD2-CD 3.28Å; D14-R33 IonicContact OD2-CZ 2.94Å; D14-R33 IonicContact OD2-NE 3.66Å; D14-R33 PolarHBondContact OD2-NE 2.97Å
15S93.1Very high86.7Confident126 Ų12681.7 Ų81.788%0.88143%0.425SS*.THydrogen-bonded Turntrans-63.5-15.318056.10000114.4G17S15-G17 VanDerWaalsContact C-N 3.34Å
16L94.7Very high89.2Confident132 Ų13275.8 Ų75.869%0.69139%0.391SS*.THydrogen-bonded Turntrans-94.37.2175.6-61.7177.2000112.2D14 R33D14-L16 PolarHBondContact O-N 3.34Å; D14-L16 VanDerWaalsContact O-N 3.11Å; D14-L16 WeakPolarHBondContact OD1-CA 3.27Å; D14-L16 WeakPolarHBondContact OD1-CB 3.49Å; D14-L16 PolarHBondContact OD1-N 2.93Å; L16-R33 PolarHBondContact O-NH2 2.98Å
17G95Very high91.5Very high22 Ų2272 Ų7223%0.22736%0.361CS..EExtended strand (participates in β ladder)trans98.3-159.1177.500000113.8D14 S15 R33D14-G17 PolarHBondContact N-O 2.92Å; D14-G17 PolarHBondContact O-N 3.31Å; D14-G17 PolarHBondContact OD1-N 3.43Å; S15-G17 VanDerWaalsContact C-N 3.34Å; G17-R33 VanDerWaalsContact C-NH2 3.26Å; G17-R33 PolarHBondContact O-NH2 3.34Å
18K95.5Very high93.1Very high149 Ų14967.1 Ų67.165%0.64834%0.341SS*.EExtended strand (participates in β ladder)trans-85.7143.8-170.4-68173.8179.5-1790112.5V11 V12 E13V11-K18 HydrophobicContact CG1-CB 3.82Å; V11-K18 HydrophobicContact CG1-CD 3.92Å; V11-K18 HydrophobicContact CG1-CG 3.9Å; V12-K18 CarbonylContact O-C 3.24Å; V12-K18 WeakPolarHBondContact O-CA 3.38Å; E13-K18 HydrophobicContact CB-CG 4.2Å; E13-K18 HydrophobicContact CG-CG 4.14Å; E13-K18 WeakPolarHBondContact OE2-CE 3.41Å
19I95.7Very high93.5Very high43 Ų4358.4 Ų58.422%0.22131%0.309CS..EExtended strand (participates in β ladder)trans-142.4148.5172-169.7166.4000110.2V12 A29 A32 R33V12-I19 HydrophobicContact CG2-CG2 3.8Å; V12-I19 WeakPolarHBondContact CG2-O 3.31Å; V12-I19 PolarHBondContact N-O 3.38Å; V12-I19 PolarHBondContact O-N 3.32Å; I19-A29 HydrophobicContact CG2-CB 3.67Å; I19-A32 HydrophobicContact CD1-CB 3.92Å; I19-A32 HydrophobicContact CG1-CB 4.39Å; I19-A32 HydrophobicContact CG2-CB 4.36Å; I19-R33 HydrophobicContact CD1-CG 3.64Å
20N94Very high93.9Very high95 Ų9557.2 Ų57.251%0.50830%0.301SS..EExtended strand (participates in β ladder)trans-87.6136.8177.3-69.7-32.8000110.9L9L9-N20 HydrophobicContact CB-CB 4.26Å; L9-N20 HydrophobicContact CD1-CB 3.97Å; L9-N20 HydrophobicContact CG-CB 4.5Å
21V93.3Very high94.2Very high0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-130.4143.1174.81750000108.8L9 R10 V12 L23 R25 Y27 A32L9-V21 CarbonylContact C-O 3.27Å; L9-V21 WeakPolarHBondContact CA-O 3.38Å; R10-V21 HydrophobicContact CG-CB 4.32Å; R10-V21 WeakPolarHBondContact CG-O 3.41Å; R10-V21 PolarHBondContact N-O 2.92Å; R10-V21 PolarHBondContact O-N 3.2Å; V12-V21 HydrophobicContact CG2-CB 4.21Å; V12-V21 HydrophobicContact CG2-CG2 3.49Å; V12-V21 VanDerWaalsContact CG2-CG2 3.49Å; V21-L23 PolarHBondContact O-N 3.35Å; V21-R25 HydrophobicContact CG1-CB 4.09Å; V21-Y27 HydrophobicContact CB-CE2 4.49Å; V21-Y27 HydrophobicContact CG1-CD2 3.88Å; V21-Y27 HydrophobicContact CG1-CE2 3.5Å; V21-Y27 HydrophobicContact CG2-CE2 4.23Å; V21-A32 HydrophobicContact CG2-CB 3.53Å
22P92.6Very high94.4Very high19 Ų1953.8 Ų53.812%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-58136.8174.7-20.131.2000111.8L9 E24 R25L9-P22 HydrophobicContact CD2-CG 4.42Å; P22-E24 VanDerWaalsContact CB-CD 3.44Å; P22-E24 WeakPolarHBondContact CB-OE1 3.29Å; P22-E24 WeakPolarHBondContact CB-OE2 3.44Å; P22-E24 PolarHBondContact O-N 2.72Å; P22-R25 HydrophobicContact CB-CG 3.92Å; P22-R25 HydrophobicContact CG-CG 4.19Å; P22-R25 WeakPolarHBondContact O-CB 3.5Å; P22-R25 PolarHBondContact O-N 2.68Å
23L89.9Confident94.6Very high69 Ų6955.5 Ų55.536%0.36129%0.287SS..THydrogen-bonded Turntrans-61.8-31.4-172.5-178.867.7000111.9R8 R10 V21 R25 R129R8-L23 HydrophobicContact CB-CB 4.06Å; R8-L23 HydrophobicContact CB-CD2 3.85Å; R8-L23 WeakPolarHBondContact O-CB 3.16Å; R8-L23 PolarHBondContact O-N 2.91Å; R10-L23 HydrophobicContact CB-CD1 4.03Å; V21-L23 PolarHBondContact O-N 3.35Å; L23-R25 VanDerWaalsContact C-N 3.26Å; L23-R25 PolarHBondContact O-N 3.39Å; L23-R129 PolarHBondContact O-NH1 2.93Å
24E90.4Very high94.8Very high81 Ų8149.4 Ų49.438%0.37926%0.259SS..THydrogen-bonded Turntrans-75.1-9.717874.5-77.9-17600113.9Q7 P22 R129Q7-E24 PolarHBondContact NE2-OE1 2.6Å; P22-E24 VanDerWaalsContact CB-CD 3.44Å; P22-E24 WeakPolarHBondContact CB-OE1 3.29Å; P22-E24 WeakPolarHBondContact CB-OE2 3.44Å; P22-E24 PolarHBondContact O-N 2.72Å; E24-R129 VanDerWaalsContact CA-NH1 3.32Å; E24-R129 PolarHBondContact O-NH1 3.3Å
25R94.2Very high94.9Very high74 Ų7450.4 Ų50.428%0.27926%0.264SS..  trans-93.5142.4-179.7-60.4-60.2-174.1160.77.4112.8R10 V21 P22 L23 Y27 N94 E95R10-R25 PolarHBondContact NH2-O 3.43Å; V21-R25 HydrophobicContact CG1-CB 4.09Å; P22-R25 HydrophobicContact CB-CG 3.92Å; P22-R25 HydrophobicContact CG-CG 4.19Å; P22-R25 WeakPolarHBondContact O-CB 3.5Å; P22-R25 PolarHBondContact O-N 2.68Å; L23-R25 VanDerWaalsContact C-N 3.26Å; L23-R25 PolarHBondContact O-N 3.39Å; R25-Y27 HydrophobicContact CB-CD1 3.9Å; R25-Y27 HydrophobicContact CB-CE1 3.62Å; R25-Y27 HydrophobicContact CB-CG 4.45Å; R25-Y27 HydrophobicContact CG-CD1 4.34Å; R25-Y27 HydrophobicContact CG-CE1 3.62Å; R25-N94 PolarHBondContact NH1-O 3.36Å; R25-E95 WeakPolarHBondContact CA-OE2 3.33Å; R25-E95 VanDerWaalsContact CD-OE1 3.26Å; R25-E95 WeakPolarHBondContact CD-OE1 3.18Å; R25-E95 IonicContact CZ-OE1 2.8Å; R25-E95 IonicContact NH1-OE1 2.75Å; R25-E95 PolarHBondContact NH1-OE1 2.99Å
26Y96.3Very high95Very high20 Ų2046.8 Ų46.88%0.07825%0.246CC..  trans-84.2-30.4176.8-76-70.5000112.5R10 H92 E95 S119 R120 E123 R129R10-Y26 PolarHBondContact NH2-O 3.25Å; Y26-H92 AromaticContact CE2-CE1 3.74Å; Y26-H92 AromaticContact CE2-ND1 3.64Å; Y26-E95 HydrophobicContact CD2-CG 3.95Å; Y26-E95 PolarHBondContact N-OE2 3.39Å; Y26-S119 VanDerWaalsContact O-CB 3.22Å; Y26-S119 WeakPolarHBondContact O-CB 3.15Å; Y26-R120 HydrophobicContact CD1-CB 4.13Å; Y26-R120 HydrophobicContact CE1-CB 3.95Å; Y26-R120 HydrophobicContact CE1-CG 4.45Å; Y26-R120 WeakPolarHBondContact OH-CD 3.49Å; Y26-E123 VanDerWaalsContact CE1-OE2 3.22Å; Y26-E123 WeakPolarHBondContact CE1-OE2 3.26Å; Y26-E123 PolarHBondContact OH-OE2 3.44Å; Y26-R129 VanDerWaalsContact CE2-NH2 3.28Å; Y26-R129 PolarHBondContact OH-NH2 3.33Å
27Y96Very high95.1Very high23 Ų2346.4 Ų46.49%0.0925%0.245CC..  trans-63.3158.717968.2-107.6000112.6R10 V21 R25 T31 A32 L35 P97R10-Y27 PolarHBondContact NH2-O 3.04Å; V21-Y27 HydrophobicContact CB-CE2 4.49Å; V21-Y27 HydrophobicContact CG1-CD2 3.88Å; V21-Y27 HydrophobicContact CG1-CE2 3.5Å; V21-Y27 HydrophobicContact CG2-CE2 4.23Å; R25-Y27 HydrophobicContact CB-CD1 3.9Å; R25-Y27 HydrophobicContact CB-CE1 3.62Å; R25-Y27 HydrophobicContact CB-CG 4.45Å; R25-Y27 HydrophobicContact CG-CD1 4.34Å; R25-Y27 HydrophobicContact CG-CE1 3.62Å; Y27-T31 HydrophobicContact CD1-CG2 4.38Å; Y27-T31 HydrophobicContact CD2-CG2 3.83Å; Y27-T31 HydrophobicContact CG-CG2 3.73Å; Y27-A32 HydrophobicContact CE2-CB 4.24Å; Y27-L35 HydrophobicContact CE2-CD1 4.37Å; Y27-P97 HydrophobicContact CD1-CG 4.36Å; Y27-P97 HydrophobicContact CE1-CG 4.26Å
28G95.4Very high95.2Very high8 Ų848.2 Ų48.28%0.08225%0.247CC..  trans-115-156-170.100000114.1A32 E115G28-A32 WeakPolarHBondContact O-CB 3.42Å; G28-A32 PolarHBondContact O-N 3.39Å; G28-A32 VanDerWaalsContact O-N 3.08Å; G28-E115 VanDerWaalsContact C-OE1 3.28Å; G28-E115 WeakPolarHBondContact CA-OE1 3.33Å; G28-E115 VanDerWaalsContact CA-OE2 3.27Å; G28-E115 WeakPolarHBondContact CA-OE2 3Å; G28-E115 PolarHBondContact N-OE2 3.26Å
29A96.1Very high95.1Very high4 Ų446.2 Ų46.23%0.03324%0.243CC..Hα-helixtrans-64.8-42.7-171.900000112.6V12 D14 I19 A32 R33 E115V12-A29 HydrophobicContact CB-CB 4.23Å; V12-A29 HydrophobicContact CG2-CB 3.78Å; D14-A29 HydrophobicContact CB-CB 3.93Å; I19-A29 HydrophobicContact CG2-CB 3.67Å; A29-A32 PolarHBondContact O-N 3.37Å; A29-R33 WeakPolarHBondContact O-CG 3.47Å; A29-R33 PolarHBondContact O-N 3.48Å; A29-E115 PolarHBondContact N-OE1 3Å; A29-E115 VanDerWaalsContact N-OE1 3.09Å
30Q97.6Very high95.1Very high74 Ų7447.5 Ų47.535%0.34625%0.253SS..Hα-helixtrans-70.5-38.5-176.8-64.2-16341.300111.5D14 R33 S34 M111 E115D14-Q30 HydrophobicContact CB-CG 4.34Å; Q30-R33 PolarHBondContact O-N 2.87Å; Q30-S34 WeakPolarHBondContact O-CB 3.37Å; Q30-S34 PolarHBondContact O-N 2.78Å; Q30-M111 HydrophobicContact CB-CB 4.33Å; Q30-E115 WeakPolarHBondContact CB-OE1 3.44Å; Q30-E115 PolarHBondContact N-OE1 3.08Å
31T97.6Very high95.1Very high1 Ų146 Ų461%0.00625%0.25CC..Hα-helixtrans-63.6-45.3174-55.70000111.1Y27 R33 S34 L35 P97 L98 N112 E115Y27-T31 HydrophobicContact CD1-CG2 4.38Å; Y27-T31 HydrophobicContact CD2-CG2 3.83Å; Y27-T31 HydrophobicContact CG-CG2 3.73Å; T31-R33 VanDerWaalsContact C-N 3.34Å; T31-R33 PolarHBondContact O-N 3.3Å; T31-S34 WeakPolarHBondContact O-CB 3.27Å; T31-S34 PolarHBondContact O-N 3.29Å; T31-S34 VanDerWaalsContact O-N 3.15Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 2.91Å; T31-P97 HydrophobicContact CG2-CG 4.23Å; T31-L98 HydrophobicContact CG2-CD1 4.3Å; T31-L98 HydrophobicContact CG2-CD2 3.83Å; T31-L98 HydrophobicContact CG2-CG 4.03Å; T31-N112 HydrophobicContact CG2-CB 4.15Å; T31-N112 WeakPolarHBondContact OG1-CA 3.3Å; T31-N112 WeakPolarHBondContact OG1-CB 3.48Å; T31-E115 VanDerWaalsContact CB-OE2 3.26Å; T31-E115 WeakPolarHBondContact CB-OE2 3.44Å; T31-E115 PolarHBondContact N-OE2 3.19Å; T31-E115 VanDerWaalsContact N-OE2 3.1Å; T31-E115 PolarHBondContact OG1-OE2 3.11Å
32A96.4Very high95Very high14 Ų1449.5 Ų49.512%0.11627%0.271CS..Hα-helixtrans-62.1-40.1178.800000112.6I19 V21 Y27 G28 A29 L35 G36I19-A32 HydrophobicContact CD1-CB 3.92Å; I19-A32 HydrophobicContact CG1-CB 4.39Å; I19-A32 HydrophobicContact CG2-CB 4.36Å; V21-A32 HydrophobicContact CG2-CB 3.53Å; Y27-A32 HydrophobicContact CE2-CB 4.24Å; G28-A32 WeakPolarHBondContact O-CB 3.42Å; G28-A32 PolarHBondContact O-N 3.39Å; G28-A32 VanDerWaalsContact O-N 3.08Å; A29-A32 PolarHBondContact O-N 3.37Å; A32-L35 PolarHBondContact O-N 3.36Å; A32-G36 PolarHBondContact O-N 3.29Å
33R97.1Very high95Very high53 Ų5360.3 Ų60.320%0.231%0.309CS..Hα-helixtrans-66-42.2172.4-72.6-176.1-165.1-804.7112.2D14 L16 G17 I19 A29 Q30 T31 L35 G36 N37D14-R33 VanDerWaalsContact CG-NE 3.3Å; D14-R33 IonicContact OD1-CZ 2.73Å; D14-R33 IonicContact OD1-NE 2.96Å; D14-R33 PolarHBondContact OD1-NE 3.48Å; D14-R33 IonicContact OD1-NH2 2.86Å; D14-R33 PolarHBondContact OD1-NH2 2.84Å; D14-R33 VanDerWaalsContact OD2-CD 3.23Å; D14-R33 WeakPolarHBondContact OD2-CD 3.28Å; D14-R33 IonicContact OD2-CZ 2.94Å; D14-R33 IonicContact OD2-NE 3.66Å; D14-R33 PolarHBondContact OD2-NE 2.97Å; L16-R33 PolarHBondContact O-NH2 2.98Å; G17-R33 VanDerWaalsContact C-NH2 3.26Å; G17-R33 PolarHBondContact O-NH2 3.34Å; I19-R33 HydrophobicContact CD1-CG 3.64Å; A29-R33 WeakPolarHBondContact O-CG 3.47Å; A29-R33 PolarHBondContact O-N 3.48Å; Q30-R33 PolarHBondContact O-N 2.87Å; T31-R33 VanDerWaalsContact C-N 3.34Å; T31-R33 PolarHBondContact O-N 3.3Å; R33-L35 VanDerWaalsContact C-N 3.3Å; R33-L35 PolarHBondContact O-N 3.41Å; R33-G36 PolarHBondContact O-N 2.95Å; R33-G36 VanDerWaalsContact O-N 3.08Å; R33-N37 WeakPolarHBondContact O-CB 3.24Å; R33-N37 VanDerWaalsContact O-CG 3.24Å; R33-N37 PolarHBondContact O-N 2.72Å; R33-N37 PolarHBondContact O-ND2 3.28Å
34S97.3Very high95.1Very high4 Ų461.1 Ų61.13%0.02832%0.32CS..Hα-helixtrans-58.6-44.1177.2-175.40000111.4Q30 T31 G36 N37 F38 L98 Q108Q30-S34 WeakPolarHBondContact O-CB 3.37Å; Q30-S34 PolarHBondContact O-N 2.78Å; T31-S34 WeakPolarHBondContact O-CB 3.27Å; T31-S34 PolarHBondContact O-N 3.29Å; T31-S34 VanDerWaalsContact O-N 3.15Å; S34-G36 VanDerWaalsContact C-N 3.3Å; S34-G36 PolarHBondContact O-N 2.77Å; S34-N37 PolarHBondContact O-N 3.05Å; S34-N37 VanDerWaalsContact O-N 3.11Å; S34-F38 PolarHBondContact O-N 3.45Å; S34-L98 WeakPolarHBondContact OG-CD2 3.15Å; S34-Q108 WeakPolarHBondContact OG-CB 3.29Å; S34-Q108 VanDerWaalsContact OG-CG 3.29Å; S34-Q108 WeakPolarHBondContact OG-CG 3.26Å
35L95.5Very high95.4Very high48 Ų4859.1 Ų59.125%0.25131%0.312SS..Hα-helixtrans-56.6-43.5173-73.9171.9000111.9Y27 T31 A32 R33 N37 N39 P97 L98Y27-L35 HydrophobicContact CE2-CD1 4.37Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 2.91Å; A32-L35 PolarHBondContact O-N 3.36Å; R33-L35 VanDerWaalsContact C-N 3.3Å; R33-L35 PolarHBondContact O-N 3.41Å; L35-N37 VanDerWaalsContact C-N 3.35Å; L35-N37 PolarHBondContact O-N 3.08Å; L35-N39 PolarHBondContact O-ND2 3.17Å; L35-N39 PolarHBondContact O-OD1 3.36Å; L35-P97 HydrophobicContact CD1-CB 4.42Å; L35-P97 HydrophobicContact CD1-CG 3.77Å; L35-P97 HydrophobicContact CD2-CB 3.91Å; L35-P97 HydrophobicContact CD2-CG 3.87Å; L35-P97 HydrophobicContact CG-CG 4.16Å; L35-L98 HydrophobicContact CD2-CD2 3.96Å; L35-L98 HydrophobicContact CG-CD2 3.9Å
36G93.9Very high95.5Very high49 Ų4958.9 Ų58.951%0.50532%0.319SS..Hα-helixtrans-65.4-35.217600000114.1A32 R33 S34 N39A32-G36 PolarHBondContact O-N 3.29Å; R33-G36 PolarHBondContact O-N 2.95Å; R33-G36 VanDerWaalsContact O-N 3.08Å; S34-G36 VanDerWaalsContact C-N 3.3Å; S34-G36 PolarHBondContact O-N 2.77Å; G36-N39 PolarHBondContact O-ND2 2.87Å
37N97.1Very high95.6Very high125 Ų12558.2 Ų58.267%0.66832%0.317SS*.Hα-helixtrans-90.9-31-170.3-68.8-18.3000114.1R33 S34 L35R33-N37 WeakPolarHBondContact O-CB 3.24Å; R33-N37 VanDerWaalsContact O-CG 3.24Å; R33-N37 PolarHBondContact O-N 2.72Å; R33-N37 PolarHBondContact O-ND2 3.28Å; S34-N37 PolarHBondContact O-N 3.05Å; S34-N37 VanDerWaalsContact O-N 3.11Å; L35-N37 VanDerWaalsContact C-N 3.35Å; L35-N37 PolarHBondContact O-N 3.08Å
38F97.1Very high95.7Very high60 Ų6058.3 Ų58.326%0.26332%0.32SS..  trans-115.556.7-174.8-63.1-76.3000111.3S34 V40 V99 W101 Q102 T103 Q108S34-F38 PolarHBondContact O-N 3.45Å; F38-V40 PolarHBondContact O-N 2.89Å; F38-V99 HydrophobicContact CB-CG2 4.14Å; F38-V99 WeakPolarHBondContact O-CG2 3.39Å; F38-W101 WeakPolarHBondContact CD1-O 3.33Å; F38-Q102 HydrophobicContact CD2-CB 4.31Å; F38-Q102 HydrophobicContact CG-CB 4.24Å; F38-T103 HydrophobicContact CE2-CG2 4.22Å; F38-T103 HydrophobicContact CZ-CG2 3.76Å; F38-Q108 HydrophobicContact CE2-CG 4.47Å
39N93.1Very high95.8Very high106 Ų10660.8 Ų60.857%0.56733%0.331SS*.  trans-81.654.9179.5-79.3-51.4000113L35 G36 T42L35-N39 PolarHBondContact O-ND2 3.17Å; L35-N39 PolarHBondContact O-OD1 3.36Å; G36-N39 PolarHBondContact O-ND2 2.87Å; N39-T42 HydrophobicContact CB-CG2 4.39Å
40V96.6Very high95.9Very high70 Ų7061.8 Ų61.842%0.42434%0.335SS..SBendtrans-112.8124-178.2-175.40000109.1F38 T42 V99 W101F38-V40 PolarHBondContact O-N 2.89Å; V40-T42 PolarHBondContact O-N 3.16Å; V40-T42 VanDerWaalsContact O-N 3.12Å; V40-V99 WeakPolarHBondContact O-CG1 3.48Å; V40-W101 HydrophobicContact CB-CB 3.84Å; V40-W101 HydrophobicContact CB-CG 4.13Å; V40-W101 HydrophobicContact CG1-CB 4.01Å; V40-W101 HydrophobicContact CG1-CG 3.85Å; V40-W101 HydrophobicContact CG2-CB 4.48Å
41C94.5Very high96Very high65 Ų6558.2 Ų58.244%0.43932%0.319SS..SBendtrans48.837.9178.6-60.60000115.1R43 S44 D45C41-R43 PolarHBondContact O-N 2.8Å; C41-S44 PolarHBondContact O-N 2.92Å; C41-S44 VanDerWaalsContact O-N 3.11Å; C41-D45 HydrophobicContact CB-CB 3.74Å; C41-D45 VanDerWaalsContact CB-CG 3.45Å; C41-D45 WeakPolarHBondContact CB-OD2 3.38Å; C41-D45 PolarHBondContact O-N 2.85Å
42T91.7Very high96Very high72 Ų7258.2 Ų58.244%0.44232%0.319SS..THydrogen-bonded Turntrans-61.9-10.6-171.257.30000115.8N39 V40 V99N39-T42 HydrophobicContact CB-CG2 4.39Å; V40-T42 PolarHBondContact O-N 3.16Å; V40-T42 VanDerWaalsContact O-N 3.12Å; T42-V99 HydrophobicContact CG2-CG1 4Å
43R91Very high96.2Very high247 Ų24760 Ų6093%0.93232%0.323SS*.THydrogen-bonded Turntrans-91.8-22.4178.6-68.3-175.7176.4174-0.8114.2C41C41-R43 PolarHBondContact O-N 2.8Å
44S92.4Very high96.2Very high85 Ų8557.5 Ų57.559%0.59431%0.313SS*.THydrogen-bonded Turntrans-128.2-29.8-170.156.90000113.5C41 T46C41-S44 PolarHBondContact O-N 2.92Å; C41-S44 VanDerWaalsContact O-N 3.11Å; S44-T46 PolarHBondContact O-N 3.41Å
45D96.2Very high96.3Very high40 Ų4057.3 Ų57.321%0.21431%0.312CS..  trans-109.845.8-165-59.85.1000111.1C41 V99 I100 W101C41-D45 HydrophobicContact CB-CB 3.74Å; C41-D45 VanDerWaalsContact CB-CG 3.45Å; C41-D45 WeakPolarHBondContact CB-OD2 3.38Å; C41-D45 PolarHBondContact O-N 2.85Å; D45-V99 CarbonylContact O-C 3.57Å; D45-V99 VanDerWaalsContact O-CA 3.23Å; D45-V99 WeakPolarHBondContact O-CA 3.35Å; D45-V99 WeakPolarHBondContact O-CB 2.98Å; D45-I100 HydrophobicContact CB-CD1 4.19Å; D45-I100 WeakPolarHBondContact O-CG1 3.4Å; D45-I100 PolarHBondContact O-N 2.81Å; D45-W101 VanDerWaalsContact CB-NE1 3.33Å; D45-W101 PolarHBondContact OD2-NE1 3Å
46T96.5Very high96.5Very high69 Ų6955 Ų5542%0.42330%0.3SS..BIsolated β-bridgetrans-69.5152.3172.352.20000110.9S44S44-T46 PolarHBondContact O-N 3.41Å
47M98.2Very high96.7Very high6 Ų653.3 Ų53.33%0.0328%0.279CS..PPolyproline II helixtrans-55.3131.8175.5-172.160.651.500110.8L49 I51 L98 Q102 T109 F151 P385M47-L49 PolarHBondContact O-N 3.11Å; M47-I51 HydrophobicContact CG-CB 4.14Å; M47-I51 HydrophobicContact CG-CG2 4.17Å; M47-I51 HydrophobicContact SD-CB 4.23Å; M47-I51 HydrophobicContact SD-CG1 4.22Å; M47-I51 HydrophobicContact SD-CG2 4.15Å; M47-L98 PolarHBondContact N-O 3.26Å; M47-Q102 VanDerWaalsContact CE-NE2 3.26Å; M47-T109 HydrophobicContact CG-CG2 4Å; M47-F151 HydrophobicContact CE-CZ 4.32Å; M47-F151 HydrophobicContact SD-CE2 4.5Å; M47-F151 HydrophobicContact SD-CZ 4.18Å; M47-P385 HydrophobicContact CE-CB 4.08Å
48P98.3Very high96.8Very high25 Ų2547.4 Ų47.416%0.16225%0.247CC..PPolyproline II helixtrans-56.2132.6176-26.534.8000111.9Q50 I51 A389 L392P48-Q50 VanDerWaalsContact CB-OE1 3.29Å; P48-Q50 PolarHBondContact O-N 3.33Å; P48-Q50 VanDerWaalsContact O-N 3.14Å; P48-I51 WeakPolarHBondContact O-CB 3.31Å; P48-I51 PolarHBondContact O-N 3.07Å; P48-A389 HydrophobicContact CG-CB 4.41Å; P48-L392 HydrophobicContact CB-CD1 3.76Å; P48-L392 HydrophobicContact CG-CD1 4.1Å
49L98.4Very high96.9Very high60 Ų6044.6 Ų44.631%0.31424%0.235SC..Hα-helixtrans-60.7-25.5-178.8-72.4173.4000112.3M47 I51 V52 Y53 D93M47-L49 PolarHBondContact O-N 3.11Å; L49-I51 PolarHBondContact O-N 3.24Å; L49-V52 WeakPolarHBondContact O-CB 3.02Å; L49-V52 PolarHBondContact O-N 2.86Å; L49-Y53 HydrophobicContact CB-CD2 4.49Å; L49-Y53 HydrophobicContact CB-CE1 4.3Å; L49-Y53 HydrophobicContact CB-CE2 3.97Å; L49-Y53 WeakPolarHBondContact O-CB 3.27Å; L49-Y53 WeakPolarHBondContact O-CD1 3.46Å; L49-Y53 WeakPolarHBondContact O-CD2 3.3Å; L49-Y53 PolarHBondContact O-N 3.03Å; L49-D93 HydrophobicContact CD1-CB 4.13Å; L49-D93 HydrophobicContact CD2-CB 4.02Å
50Q98.5Very high97.2Very high24 Ų2439.9 Ų39.911%0.11221%0.209CC..Hα-helixtrans-57.4-35.4173.7-59.289.3-25.700112.2P48 S54 E162 L392 E396P48-Q50 VanDerWaalsContact CB-OE1 3.29Å; P48-Q50 PolarHBondContact O-N 3.33Å; P48-Q50 VanDerWaalsContact O-N 3.14Å; Q50-S54 VanDerWaalsContact O-CB 3.28Å; Q50-S54 WeakPolarHBondContact O-CB 3.37Å; Q50-S54 PolarHBondContact O-N 3.32Å; Q50-S54 PolarHBondContact O-OG 3.07Å; Q50-E162 HydrophobicContact CG-CG 3.99Å; Q50-E162 WeakPolarHBondContact CG-OE1 3.34Å; Q50-L392 HydrophobicContact CB-CD1 4.09Å; Q50-L392 HydrophobicContact CB-CD2 4.03Å; Q50-L392 HydrophobicContact CG-CD2 4.32Å; Q50-E396 PolarHBondContact NE2-OE1 3.37Å
51I98.8Very high97.2Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-70.1-44.6175-65.3-68.7000110.3M47 P48 L49 Y53 S54 L55 T109 F151 M155 S158 A388 L392M47-I51 HydrophobicContact CG-CB 4.14Å; M47-I51 HydrophobicContact CG-CG2 4.17Å; M47-I51 HydrophobicContact SD-CB 4.23Å; M47-I51 HydrophobicContact SD-CG1 4.22Å; M47-I51 HydrophobicContact SD-CG2 4.15Å; P48-I51 WeakPolarHBondContact O-CB 3.31Å; P48-I51 PolarHBondContact O-N 3.07Å; L49-I51 PolarHBondContact O-N 3.24Å; I51-Y53 PolarHBondContact O-N 3.27Å; I51-S54 PolarHBondContact O-N 3.38Å; I51-L55 HydrophobicContact CG2-CD1 3.95Å; I51-L55 HydrophobicContact CG2-CG 4.41Å; I51-L55 WeakPolarHBondContact O-CB 3.29Å; I51-L55 VanDerWaalsContact O-CG 3.3Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.39Å; I51-T109 HydrophobicContact CG2-CG2 4.35Å; I51-F151 HydrophobicContact CG2-CE2 3.8Å; I51-F151 HydrophobicContact CG2-CZ 4.12Å; I51-M155 HydrophobicContact CD1-CG 4.2Å; I51-S158 VanDerWaalsContact CD1-OG 3.29Å; I51-S158 WeakPolarHBondContact CD1-OG 3.3Å; I51-A388 HydrophobicContact CD1-CB 3.92Å; I51-A388 HydrophobicContact CG1-CB 4.33Å; I51-L392 HydrophobicContact CD1-CD1 3.91Å; I51-L392 HydrophobicContact CG1-CD1 3.63Å
52V98.8Very high97.4Very high1 Ų133.8 Ų33.81%0.00617%0.17CC..Hα-helixtrans-59-47.7177.31740000110.8L49 S54 L55 A56 V87 F96 V113L49-V52 WeakPolarHBondContact O-CB 3.02Å; L49-V52 PolarHBondContact O-N 2.86Å; V52-S54 PolarHBondContact O-N 3.24Å; V52-L55 WeakPolarHBondContact O-CB 3.47Å; V52-L55 PolarHBondContact O-N 3.42Å; V52-A56 PolarHBondContact O-N 3.35Å; V52-V87 HydrophobicContact CG1-CG1 3.88Å; V52-F96 HydrophobicContact CB-CG 4.39Å; V52-F96 HydrophobicContact CG1-CB 4.41Å; V52-F96 HydrophobicContact CG1-CD1 3.68Å; V52-F96 HydrophobicContact CG1-CD2 3.48Å; V52-F96 VanDerWaalsContact CG1-CD2 3.48Å; V52-F96 HydrophobicContact CG1-CE1 3.71Å; V52-F96 HydrophobicContact CG1-CE2 3.5Å; V52-F96 VanDerWaalsContact CG1-CE2 3.5Å; V52-F96 HydrophobicContact CG1-CG 3.55Å; V52-F96 HydrophobicContact CG1-CZ 3.61Å; V52-F96 HydrophobicContact CG2-CB 3.9Å; V52-F96 HydrophobicContact CG2-CD1 4.18Å; V52-F96 HydrophobicContact CG2-CD2 4.46Å; V52-F96 HydrophobicContact CG2-CG 3.91Å; V52-V113 HydrophobicContact CG1-CG2 4.29Å
53Y98.8Very high97.8Very high51 Ų5130.5 Ų30.520%0.215%0.151CC..Hα-helixtrans-63.4-43.5178.7-60.6-18.7000111.5L49 I51 L55 A56 M57 V87 D93L49-Y53 HydrophobicContact CB-CD2 4.49Å; L49-Y53 HydrophobicContact CB-CE1 4.3Å; L49-Y53 HydrophobicContact CB-CE2 3.97Å; L49-Y53 WeakPolarHBondContact O-CB 3.27Å; L49-Y53 WeakPolarHBondContact O-CD1 3.46Å; L49-Y53 WeakPolarHBondContact O-CD2 3.3Å; L49-Y53 PolarHBondContact O-N 3.03Å; I51-Y53 PolarHBondContact O-N 3.27Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L55 PolarHBondContact O-N 3.07Å; Y53-A56 PolarHBondContact O-N 2.92Å; Y53-M57 VanDerWaalsContact O-CG 3.31Å; Y53-M57 WeakPolarHBondContact O-CG 3.42Å; Y53-M57 PolarHBondContact O-N 3.28Å; Y53-V87 VanDerWaalsContact CE1-O 3.28Å; Y53-V87 WeakPolarHBondContact CE1-O 3.33Å; Y53-D93 WeakPolarHBondContact CE1-OD1 2.86Å; Y53-D93 VanDerWaalsContact OH-CG 3.26Å; Y53-D93 PolarHBondContact OH-OD1 2.85Å; Y53-D93 PolarHBondContact OH-OD2 3.13Å
54S98.8Very high98.1Very high0 Ų020.7 Ų20.70%012%0.12CC..Hα-helixtrans-62.9-41176.3-64.40000112Q50 I51 V52 M57 I58 S158 M161Q50-S54 VanDerWaalsContact O-CB 3.28Å; Q50-S54 WeakPolarHBondContact O-CB 3.37Å; Q50-S54 PolarHBondContact O-N 3.32Å; Q50-S54 PolarHBondContact O-OG 3.07Å; I51-S54 PolarHBondContact O-N 3.38Å; V52-S54 PolarHBondContact O-N 3.24Å; S54-M57 PolarHBondContact O-N 3.48Å; S54-I58 WeakPolarHBondContact O-CD1 3.07Å; S54-I58 WeakPolarHBondContact O-CG1 3.49Å; S54-I58 PolarHBondContact O-N 2.94Å; S54-S158 WeakPolarHBondContact OG-CA 3.35Å; S54-S158 VanDerWaalsContact OG-CB 3.26Å; S54-S158 WeakPolarHBondContact OG-CB 3.46Å; S54-S158 PolarHBondContact OG-N 3.44Å; S54-M161 WeakPolarHBondContact OG-CE 3.47Å
55L98.9Very high98.3Very high0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-60.5-47.5172.9-74.2167.6000111I51 V52 Y53 M57 I58 K59 T109 V113 I150 A154I51-L55 HydrophobicContact CG2-CD1 3.95Å; I51-L55 HydrophobicContact CG2-CG 4.41Å; I51-L55 WeakPolarHBondContact O-CB 3.29Å; I51-L55 VanDerWaalsContact O-CG 3.3Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.39Å; V52-L55 WeakPolarHBondContact O-CB 3.47Å; V52-L55 PolarHBondContact O-N 3.42Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L55 PolarHBondContact O-N 3.07Å; L55-M57 VanDerWaalsContact C-N 3.34Å; L55-M57 PolarHBondContact O-N 3.38Å; L55-I58 WeakPolarHBondContact O-CB 3.36Å; L55-I58 PolarHBondContact O-N 3.13Å; L55-I58 VanDerWaalsContact O-N 3.16Å; L55-K59 VanDerWaalsContact O-CG 3.3Å; L55-K59 WeakPolarHBondContact O-CG 3.43Å; L55-K59 PolarHBondContact O-N 3.13Å; L55-T109 HydrophobicContact CD1-CG2 3.58Å; L55-V113 HydrophobicContact CB-CB 4.27Å; L55-V113 HydrophobicContact CB-CG1 4.03Å; L55-V113 HydrophobicContact CB-CG2 3.91Å; L55-V113 HydrophobicContact CD1-CG2 3.81Å; L55-I150 HydrophobicContact CD2-CG2 3.59Å; L55-A154 HydrophobicContact CD2-CB 3.66Å; L55-A154 HydrophobicContact CG-CB 3.68Å
56A98.9Very high98.3Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-60.6-40.4177.800000112.5V52 Y53 K59 E60 C84 V87 Y88V52-A56 PolarHBondContact O-N 3.35Å; Y53-A56 PolarHBondContact O-N 2.92Å; A56-K59 PolarHBondContact O-N 2.84Å; A56-E60 PolarHBondContact O-N 2.96Å; A56-C84 HydrophobicContact CB-CB 4.47Å; A56-C84 WeakPolarHBondContact O-CB 3.4Å; A56-C84 PolarHBondContact O-SG 2.75Å; A56-V87 HydrophobicContact CB-CB 3.94Å; A56-V87 HydrophobicContact CB-CG1 3.65Å; A56-Y88 HydrophobicContact CB-CD1 4.07Å
57M98.8Very high98.3Very high14 Ų1416 Ų167%0.0698%0.081CC..Hα-helixtrans-61.5-44.5173.2-68.2176.5-159.500111.8Y53 S54 L55 K59 E60 V61 Y88 M161 L257 L260 L264Y53-M57 VanDerWaalsContact O-CG 3.31Å; Y53-M57 WeakPolarHBondContact O-CG 3.42Å; Y53-M57 PolarHBondContact O-N 3.28Å; S54-M57 PolarHBondContact O-N 3.48Å; L55-M57 VanDerWaalsContact C-N 3.34Å; L55-M57 PolarHBondContact O-N 3.38Å; M57-K59 VanDerWaalsContact C-N 3.32Å; M57-K59 PolarHBondContact O-N 2.99Å; M57-E60 PolarHBondContact O-N 3.29Å; M57-V61 PolarHBondContact O-N 2.92Å; M57-V61 VanDerWaalsContact O-N 3.08Å; M57-Y88 HydrophobicContact CE-CD2 4.46Å; M57-Y88 HydrophobicContact CE-CG 4.19Å; M57-Y88 HydrophobicContact CG-CD1 3.7Å; M57-Y88 HydrophobicContact CG-CE1 4.11Å; M57-Y88 HydrophobicContact CG-CG 4.08Å; M57-M161 HydrophobicContact CE-CE 4.41Å; M57-M161 HydrophobicContact SD-CE 4.17Å; M57-M161 HydrophobicContact SD-SD 4.26Å; M57-L257 HydrophobicContact CB-CD2 4.37Å; M57-L260 HydrophobicContact CB-CD2 3.88Å; M57-L260 HydrophobicContact CG-CD2 4.06Å; M57-L264 HydrophobicContact CE-CD1 3.52Å; M57-L264 HydrophobicContact CG-CD1 4.36Å; M57-L264 HydrophobicContact SD-CD1 3.69Å
58I98.8Very high98.1Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-61.6-41.7175.8-66.8158000110.5S54 L55 V61 A62 I150 T153 A154 L157 L253 L257S54-I58 WeakPolarHBondContact O-CD1 3.07Å; S54-I58 WeakPolarHBondContact O-CG1 3.49Å; S54-I58 PolarHBondContact O-N 2.94Å; L55-I58 WeakPolarHBondContact O-CB 3.36Å; L55-I58 PolarHBondContact O-N 3.13Å; L55-I58 VanDerWaalsContact O-N 3.16Å; I58-V61 PolarHBondContact O-N 2.77Å; I58-A62 WeakPolarHBondContact O-CB 3.1Å; I58-A62 PolarHBondContact O-N 2.89Å; I58-I150 HydrophobicContact CG2-CD1 4Å; I58-I150 HydrophobicContact CG2-CG2 4.05Å; I58-T153 HydrophobicContact CD1-CG2 3.66Å; I58-T153 HydrophobicContact CG1-CG2 4.15Å; I58-A154 HydrophobicContact CD1-CB 3.74Å; I58-L157 HydrophobicContact CD1-CD2 4.14Å; I58-L157 HydrophobicContact CG1-CD2 3.92Å; I58-L253 HydrophobicContact CG2-CD1 4.41Å; I58-L257 HydrophobicContact CG1-CD1 4.18Å; I58-L257 HydrophobicContact CG1-CD2 4.3Å
59K98.8Very high97.8Very high1 Ų124.7 Ų24.70%0.00412%0.119CC..Hα-helixtrans-66.8-36.8176.8-60.6-45.7173.6171.40112.6L55 A56 M57 A62 A63 N110 V113 N114 L117 V141 N142 Q145L55-K59 VanDerWaalsContact O-CG 3.3Å; L55-K59 WeakPolarHBondContact O-CG 3.43Å; L55-K59 PolarHBondContact O-N 3.13Å; A56-K59 PolarHBondContact O-N 2.84Å; M57-K59 VanDerWaalsContact C-N 3.32Å; M57-K59 PolarHBondContact O-N 2.99Å; K59-A62 PolarHBondContact O-N 3.22Å; K59-A63 WeakPolarHBondContact O-CB 3.24Å; K59-A63 PolarHBondContact O-N 3.33Å; K59-N110 WeakPolarHBondContact CE-OD1 3.38Å; K59-N110 PolarHBondContact NZ-OD1 2.96Å; K59-V113 HydrophobicContact CG-CG1 4.22Å; K59-N114 WeakPolarHBondContact CE-OD1 3.46Å; K59-N114 PolarHBondContact NZ-OD1 3.1Å; K59-N114 VanDerWaalsContact NZ-OD1 3.11Å; K59-L117 HydrophobicContact CB-CD1 3.63Å; K59-L117 HydrophobicContact CG-CD1 3.66Å; K59-V141 HydrophobicContact CB-CG1 4.29Å; K59-V141 HydrophobicContact CD-CG1 4.16Å; K59-V141 HydrophobicContact CG-CG1 4.04Å; K59-N142 PolarHBondContact NZ-OD1 3.04Å; K59-Q145 VanDerWaalsContact CD-OE1 3.28Å
60E98.7Very high97.7Very high7 Ų725 Ų253%0.03314%0.137CC..Hα-helixtrans-58.9-51.2173.7177.5175.7179.500110.4A56 M57 A63 C64 V81 C84 R85 Y88A56-E60 PolarHBondContact O-N 2.96Å; M57-E60 PolarHBondContact O-N 3.29Å; E60-A63 PolarHBondContact O-N 3.46Å; E60-C64 PolarHBondContact O-N 2.96Å; E60-C64 VanDerWaalsContact O-N 3.13Å; E60-C64 PolarHBondContact O-SG 3.49Å; E60-V81 HydrophobicContact CG-CB 4.35Å; E60-V81 HydrophobicContact CG-CG1 4.01Å; E60-V81 HydrophobicContact CG-CG2 4.07Å; E60-C84 HydrophobicContact CB-CB 3.76Å; E60-C84 PolarHBondContact N-SG 3.37Å; E60-C84 VanDerWaalsContact N-SG 3.42Å; E60-R85 IonicContact OE1-CZ 2.79Å; E60-R85 VanDerWaalsContact OE1-CZ 3.31Å; E60-R85 IonicContact OE1-NE 3.88Å; E60-R85 PolarHBondContact OE1-NE 3.46Å; E60-R85 IonicContact OE1-NH2 2.82Å; E60-R85 PolarHBondContact OE1-NH2 3.1Å; E60-R85 IonicContact OE2-NE 3.01Å; E60-Y88 WeakPolarHBondContact OE2-CE1 3.43Å; E60-Y88 PolarHBondContact OE2-OH 3.23Å
61V98.4Very high97.5Very high7 Ų728.7 Ų28.74%0.04215%0.15CC..Hα-helixtrans-66.5-43.5-178.7175.70000110.7M57 I58 A63 C64 T65 L253 L257 L260M57-V61 PolarHBondContact O-N 2.92Å; M57-V61 VanDerWaalsContact O-N 3.08Å; I58-V61 PolarHBondContact O-N 2.77Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 2.93Å; V61-C64 WeakPolarHBondContact O-CB 3.33Å; V61-C64 PolarHBondContact O-N 3.28Å; V61-T65 WeakPolarHBondContact O-CB 3.34Å; V61-T65 PolarHBondContact O-N 3.2Å; V61-T65 PolarHBondContact O-OG1 3.11Å; V61-T65 VanDerWaalsContact O-OG1 3.05Å; V61-L253 HydrophobicContact CB-CG 4.36Å; V61-L253 HydrophobicContact CG1-CB 4.08Å; V61-L253 HydrophobicContact CG1-CD1 4.37Å; V61-L253 HydrophobicContact CG1-CG 3.69Å; V61-L257 HydrophobicContact CB-CD2 4.47Å; V61-L257 HydrophobicContact CG2-CD2 3.89Å; V61-L257 HydrophobicContact CG2-CG 4.18Å; V61-L260 HydrophobicContact CG2-CD2 4.02Å
62A98.4Very high97.4Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-60.2-39.717800000112.6I58 K59 N66 F249 L253I58-A62 WeakPolarHBondContact O-CB 3.1Å; I58-A62 PolarHBondContact O-N 2.89Å; K59-A62 PolarHBondContact O-N 3.22Å; A62-N66 VanDerWaalsContact O-CB 3.3Å; A62-N66 WeakPolarHBondContact O-CB 3.31Å; A62-N66 PolarHBondContact O-N 3.29Å; A62-N66 PolarHBondContact O-ND2 3.48Å; A62-F249 HydrophobicContact CB-CE2 4.31Å; A62-F249 HydrophobicContact CB-CZ 3.81Å; A62-L253 HydrophobicContact CB-CD1 4.09Å
63A98.5Very high97.4Very high4 Ų432.2 Ų32.23%0.03317%0.173CC..Hα-helixtrans-62.9-48.6174.700000111.1K59 E60 V61 T65 N66 F67 I72 S77 I80 V81K59-A63 WeakPolarHBondContact O-CB 3.24Å; K59-A63 PolarHBondContact O-N 3.33Å; E60-A63 PolarHBondContact O-N 3.46Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 2.93Å; A63-T65 PolarHBondContact O-N 2.97Å; A63-N66 PolarHBondContact O-N 3.49Å; A63-F67 PolarHBondContact O-N 3.44Å; A63-I72 HydrophobicContact CB-CD1 4.24Å; A63-I72 WeakPolarHBondContact O-CD1 3.37Å; A63-S77 PolarHBondContact O-OG 3.43Å; A63-I80 HydrophobicContact CB-CB 4.09Å; A63-I80 HydrophobicContact CB-CD1 4.48Å; A63-I80 HydrophobicContact CB-CG2 3.74Å; A63-V81 HydrophobicContact CB-CG2 4.48Å
64C97.9Very high97.3Very high41 Ų4132.6 Ų32.628%0.27718%0.183SC..Hα-helixtrans-58-46.1176.4-65.60000112.2E60 V61 F67 K68 V81E60-C64 PolarHBondContact O-N 2.96Å; E60-C64 VanDerWaalsContact O-N 3.13Å; E60-C64 PolarHBondContact O-SG 3.49Å; V61-C64 WeakPolarHBondContact O-CB 3.33Å; V61-C64 PolarHBondContact O-N 3.28Å; C64-F67 PolarHBondContact O-N 3.41Å; C64-K68 WeakPolarHBondContact O-CG 3.28Å; C64-K68 PolarHBondContact O-N 2.88Å; C64-V81 VanDerWaalsContact SG-CG2 3.54Å
65T96.5Very high97.3Very high2 Ų238.6 Ų38.61%0.01221%0.209CC..Hα-helixtrans-64.4-45.3179.3-59.90000111.2V61 A63 F67 K68 L69 F249 E252V61-T65 WeakPolarHBondContact O-CB 3.34Å; V61-T65 PolarHBondContact O-N 3.2Å; V61-T65 PolarHBondContact O-OG1 3.11Å; V61-T65 VanDerWaalsContact O-OG1 3.05Å; A63-T65 PolarHBondContact O-N 2.97Å; T65-F67 VanDerWaalsContact C-N 3.29Å; T65-F67 PolarHBondContact O-N 3.28Å; T65-K68 PolarHBondContact O-N 2.63Å; T65-L69 HydrophobicContact CG2-CD1 3.98Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 VanDerWaalsContact O-CG 3.29Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 3.39Å; T65-F249 HydrophobicContact CG2-CD2 3.53Å; T65-F249 HydrophobicContact CG2-CE2 3.96Å; T65-F249 HydrophobicContact CG2-CG 4.3Å; T65-E252 HydrophobicContact CG2-CB 4.03Å; T65-E252 HydrophobicContact CG2-CG 3.79Å
66N96.6Very high97.3Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-64.2-33.5177.1-81.9-50.4000112.6A62 A63 L69 G70 R71 I72 L143A62-N66 VanDerWaalsContact O-CB 3.3Å; A62-N66 WeakPolarHBondContact O-CB 3.31Å; A62-N66 PolarHBondContact O-N 3.29Å; A62-N66 PolarHBondContact O-ND2 3.48Å; A63-N66 PolarHBondContact O-N 3.49Å; N66-L69 PolarHBondContact O-N 2.95Å; N66-G70 PolarHBondContact O-N 3.31Å; N66-R71 HydrophobicContact CB-CB 4.31Å; N66-R71 PolarHBondContact O-N 3.05Å; N66-I72 HydrophobicContact CB-CD1 4.32Å; N66-I72 HydrophobicContact CB-CG1 4.21Å; N66-I72 HydrophobicContact CB-CG2 4.26Å; N66-L143 HydrophobicContact CB-CD2 4.22Å; N66-L143 PolarHBondContact ND2-O 2.86Å
67F96.3Very high97.2Very high94 Ų9439.8 Ų39.841%0.41222%0.216SC..Hα-helixtrans-65.2-47.9172.2169.4-112.6000111.6A63 C64 T65 L69 G70 I72A63-F67 PolarHBondContact O-N 3.44Å; C64-F67 PolarHBondContact O-N 3.41Å; T65-F67 VanDerWaalsContact C-N 3.29Å; T65-F67 PolarHBondContact O-N 3.28Å; F67-L69 PolarHBondContact O-N 3.18Å; F67-G70 PolarHBondContact O-N 2.47Å; F67-I72 HydrophobicContact CB-CG1 4.02Å
68K94.9Very high97.2Very high135 Ų13543.3 Ų43.359%0.58724%0.235SC*.Hα-helixtrans-56.9-35.6175.4-70.8177.5-174.9-178.40112.2C64 T65 G70 E252C64-K68 WeakPolarHBondContact O-CG 3.28Å; C64-K68 PolarHBondContact O-N 2.88Å; T65-K68 PolarHBondContact O-N 2.63Å; K68-G70 VanDerWaalsContact C-N 3.25Å; K68-G70 PolarHBondContact O-N 3.11Å; K68-E252 IonicContact NZ-OE1 3.77Å; K68-E252 PolarHBondContact NZ-OE1 2.9Å
69L92.2Very high97.2Very high77 Ų7743.7 Ų43.740%0.40324%0.238SC..THydrogen-bonded Turntrans-81.53.3176.8-64.8173.7000113.9T65 N66 F67 R71 F249T65-L69 HydrophobicContact CG2-CD1 3.98Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 VanDerWaalsContact O-CG 3.29Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 3.39Å; N66-L69 PolarHBondContact O-N 2.95Å; F67-L69 PolarHBondContact O-N 3.18Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 HydrophobicContact CB-CG 4.17Å; L69-R71 PolarHBondContact O-N 2.9Å; L69-F249 HydrophobicContact CD1-CD2 4.34Å
70G94.4Very high97.2Very high67 Ų6743.6 Ų43.669%0.69124%0.238SC*.THydrogen-bonded Turntrans70.419.4178.300000114.8N66 F67 K68N66-G70 PolarHBondContact O-N 3.31Å; F67-G70 PolarHBondContact O-N 2.47Å; K68-G70 VanDerWaalsContact C-N 3.25Å; K68-G70 PolarHBondContact O-N 3.11Å
71R95.4Very high97.2Very high102 Ų10243.9 Ų43.939%0.38524%0.24SC..SBendtrans-92.7-20-175.7-59.8-165.565.2178.5-3.5114.4N66 L69 L143 N244 S246N66-R71 HydrophobicContact CB-CB 4.31Å; N66-R71 PolarHBondContact O-N 3.05Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 HydrophobicContact CB-CG 4.17Å; L69-R71 PolarHBondContact O-N 2.9Å; R71-L143 HydrophobicContact CB-CD2 3.84Å; R71-N244 PolarHBondContact NH1-O 2.89Å; R71-S246 VanDerWaalsContact CD-OG 3.29Å; R71-S246 WeakPolarHBondContact CD-OG 2.93Å; R71-S246 PolarHBondContact NH1-OG 3.24Å
72I96.5Very high97.2Very high15 Ų1549.5 Ų49.58%0.07726%0.264CS..SBendtrans-134156173.669.6174.5000110A63 N66 F67 L143A63-I72 HydrophobicContact CB-CD1 4.24Å; A63-I72 WeakPolarHBondContact O-CD1 3.37Å; N66-I72 HydrophobicContact CB-CD1 4.32Å; N66-I72 HydrophobicContact CB-CG1 4.21Å; N66-I72 HydrophobicContact CB-CG2 4.26Å; F67-I72 HydrophobicContact CB-CG1 4.02Å; I72-L143 HydrophobicContact CG2-CD2 3.31Å
73S97.8Very high97.3Very high59 Ų5949.5 Ų49.541%0.41326%0.264SS..  trans-73.2154.3174.768.30000111.7K75 L76 S77S73-K75 VanDerWaalsContact C-N 3.27Å; S73-K75 PolarHBondContact O-N 2.67Å; S73-L76 PolarHBondContact O-N 3.09Å; S73-L76 VanDerWaalsContact OG-CG 3.31Å; S73-L76 WeakPolarHBondContact OG-CG 3.45Å; S73-L76 PolarHBondContact OG-N 2.98Å; S73-S77 PolarHBondContact O-N 2.74Å
74S97.7Very high97.3Very high59 Ų5949.3 Ų49.341%0.41326%0.262SS..Hα-helixtrans-56.1-43.117452.70000111.7L76 S77 D78S74-L76 VanDerWaalsContact C-N 3.33Å; S74-L76 PolarHBondContact O-N 2.8Å; S74-S77 PolarHBondContact O-N 2.82Å; S74-D78 WeakPolarHBondContact O-CB 3.26Å; S74-D78 VanDerWaalsContact O-CG 3.23Å; S74-D78 PolarHBondContact O-N 3.39Å
75K98.2Very high97.3Very high126 Ų12652.8 Ų52.855%0.54827%0.269SS..Hα-helixtrans-55-45.4178.1-172.2-178.7-177.1-168.90112.5S73 A79 I125S73-K75 VanDerWaalsContact C-N 3.27Å; S73-K75 PolarHBondContact O-N 2.67Å; K75-A79 PolarHBondContact O-N 3.23Å; K75-I125 HydrophobicContact CD-CG2 4.45Å; K75-I125 HydrophobicContact CG-CD1 4.33Å; K75-I125 HydrophobicContact CG-CG1 4.4Å
76L98.5Very high97.4Very high24 Ų2454 Ų5413%0.12628%0.275CS..Hα-helixtrans-70.4-45.2177.8-66.1173.1000111.1S73 S74 D78 A79 I80 I125 T134 V135S73-L76 PolarHBondContact O-N 3.09Å; S73-L76 VanDerWaalsContact OG-CG 3.31Å; S73-L76 WeakPolarHBondContact OG-CG 3.45Å; S73-L76 PolarHBondContact OG-N 2.98Å; S74-L76 VanDerWaalsContact C-N 3.33Å; S74-L76 PolarHBondContact O-N 2.8Å; L76-D78 PolarHBondContact O-N 2.76Å; L76-A79 PolarHBondContact O-N 3.32Å; L76-I80 VanDerWaalsContact O-CG1 3.31Å; L76-I80 WeakPolarHBondContact O-CG1 3.46Å; L76-I80 PolarHBondContact O-N 2.88Å; L76-I125 HydrophobicContact CD2-CD1 3.99Å; L76-T134 HydrophobicContact CD2-CG2 4.32Å; L76-V135 HydrophobicContact CD2-CG2 3.8Å
77S98.6Very high97.5Very high2 Ų254 Ų541%0.01428%0.275CS..Hα-helixtrans-56.5-51.7178.6-172.30000111.8A63 S73 S74 A79 I80 V81A63-S77 PolarHBondContact O-OG 3.43Å; S73-S77 PolarHBondContact O-N 2.74Å; S74-S77 PolarHBondContact O-N 2.82Å; S77-A79 VanDerWaalsContact C-N 3.3Å; S77-A79 PolarHBondContact O-N 3.14Å; S77-I80 PolarHBondContact O-N 2.8Å; S77-V81 VanDerWaalsContact O-CG2 3.25Å; S77-V81 WeakPolarHBondContact O-CG2 3.14Å; S77-V81 PolarHBondContact O-N 3.12Å
78D98.6Very high97.6Very high88 Ų8850.5 Ų50.547%0.47126%0.259SS..Hα-helixtrans-62.5-37.6-176.4-68.8-19000112.2S74 L76 K82S74-D78 WeakPolarHBondContact O-CB 3.26Å; S74-D78 VanDerWaalsContact O-CG 3.23Å; S74-D78 PolarHBondContact O-N 3.39Å; L76-D78 PolarHBondContact O-N 2.76Å; D78-K82 WeakPolarHBondContact O-CG 3.28Å; D78-K82 PolarHBondContact O-N 3.24Å
79A98.7Very high97.7Very high7 Ų749.5 Ų49.56%0.05826%0.257CS..Hα-helixtrans-68.9-41.7177.200000111.9K75 L76 S77 K82 A83 A121 I125K75-A79 PolarHBondContact O-N 3.23Å; L76-A79 PolarHBondContact O-N 3.32Å; S77-A79 VanDerWaalsContact C-N 3.3Å; S77-A79 PolarHBondContact O-N 3.14Å; A79-K82 PolarHBondContact O-N 3.33Å; A79-A83 PolarHBondContact O-N 3.08Å; A79-A121 HydrophobicContact CB-CB 3.91Å; A79-I125 HydrophobicContact CB-CD1 3.62Å; A79-I125 HydrophobicContact CB-CG1 3.65Å
80I98.9Very high97.9Very high0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-62.6-47.7174.8-67.3165.3000110.1A63 L76 S77 K82 A83 C84 A121 V135 H140 V141A63-I80 HydrophobicContact CB-CB 4.09Å; A63-I80 HydrophobicContact CB-CD1 4.48Å; A63-I80 HydrophobicContact CB-CG2 3.74Å; L76-I80 VanDerWaalsContact O-CG1 3.31Å; L76-I80 WeakPolarHBondContact O-CG1 3.46Å; L76-I80 PolarHBondContact O-N 2.88Å; S77-I80 PolarHBondContact O-N 2.8Å; I80-K82 VanDerWaalsContact C-N 3.33Å; I80-K82 PolarHBondContact O-N 3.29Å; I80-A83 PolarHBondContact O-N 3.02Å; I80-C84 PolarHBondContact O-N 3.4Å; I80-C84 PolarHBondContact O-SG 2.86Å; I80-A121 HydrophobicContact CG1-CB 4.14Å; I80-V135 HydrophobicContact CD1-CG1 3.87Å; I80-V135 HydrophobicContact CG1-CG1 3.82Å; I80-H140 HydrophobicContact CD1-CB 4.22Å; I80-V141 HydrophobicContact CD1-CG2 4.21Å; I80-V141 HydrophobicContact CG1-CG2 4.29Å
81V98.8Very high98.1Very high12 Ų1250 Ų507%0.07325%0.247CC..Hα-helixtrans-54.4-49.9178167.30000110.7E60 A63 C64 S77 A83 C84 R85E60-V81 HydrophobicContact CG-CB 4.35Å; E60-V81 HydrophobicContact CG-CG1 4.01Å; E60-V81 HydrophobicContact CG-CG2 4.07Å; A63-V81 HydrophobicContact CB-CG2 4.48Å; C64-V81 VanDerWaalsContact SG-CG2 3.54Å; S77-V81 VanDerWaalsContact O-CG2 3.25Å; S77-V81 WeakPolarHBondContact O-CG2 3.14Å; S77-V81 PolarHBondContact O-N 3.12Å; V81-A83 PolarHBondContact O-N 2.81Å; V81-C84 WeakPolarHBondContact O-CB 3.37Å; V81-C84 PolarHBondContact O-N 3.49Å; V81-R85 WeakPolarHBondContact O-CG 3.04Å; V81-R85 PolarHBondContact O-N 3.31Å; V81-R85 VanDerWaalsContact O-N 3.07Å
82K98.7Very high98.2Very high125 Ų12546.4 Ų46.454%0.54323%0.234SC..Hα-helixtrans-58.9-47.3177.7-74.2174.2-175.3177.60112.2D78 A79 I80 C84 R85 E86 L124D78-K82 WeakPolarHBondContact O-CG 3.28Å; D78-K82 PolarHBondContact O-N 3.24Å; A79-K82 PolarHBondContact O-N 3.33Å; I80-K82 VanDerWaalsContact C-N 3.33Å; I80-K82 PolarHBondContact O-N 3.29Å; K82-C84 VanDerWaalsContact C-N 3.32Å; K82-C84 PolarHBondContact O-N 2.96Å; K82-R85 PolarHBondContact O-N 3.15Å; K82-E86 PolarHBondContact O-N 3.17Å; K82-E86 VanDerWaalsContact O-N 3.12Å; K82-L124 HydrophobicContact CB-CD1 3.76Å
83A98.7Very high98.3Very high0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-60.6-40.8177.500000112A79 I80 V81 R85 E86 V87 L117 R120 A121A79-A83 PolarHBondContact O-N 3.08Å; I80-A83 PolarHBondContact O-N 3.02Å; V81-A83 PolarHBondContact O-N 2.81Å; A83-R85 VanDerWaalsContact C-N 3.33Å; A83-R85 PolarHBondContact O-N 3.24Å; A83-E86 PolarHBondContact O-N 3.25Å; A83-V87 WeakPolarHBondContact O-CG2 3.42Å; A83-V87 PolarHBondContact O-N 3.03Å; A83-V87 VanDerWaalsContact O-N 3.12Å; A83-L117 HydrophobicContact CB-CD2 3.94Å; A83-R120 HydrophobicContact CB-CB 3.97Å; A83-R120 HydrophobicContact CB-CG 3.8Å; A83-A121 HydrophobicContact CB-CB 4.26Å
84C98.8Very high98.2Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-59.6-44.4176-68.10000111.7A56 E60 I80 V81 K82 E86 V87 Y88 L117A56-C84 HydrophobicContact CB-CB 4.47Å; A56-C84 WeakPolarHBondContact O-CB 3.4Å; A56-C84 PolarHBondContact O-SG 2.75Å; E60-C84 HydrophobicContact CB-CB 3.76Å; E60-C84 PolarHBondContact N-SG 3.37Å; E60-C84 VanDerWaalsContact N-SG 3.42Å; I80-C84 PolarHBondContact O-N 3.4Å; I80-C84 PolarHBondContact O-SG 2.86Å; V81-C84 WeakPolarHBondContact O-CB 3.37Å; V81-C84 PolarHBondContact O-N 3.49Å; K82-C84 VanDerWaalsContact C-N 3.32Å; K82-C84 PolarHBondContact O-N 2.96Å; C84-E86 VanDerWaalsContact C-N 3.35Å; C84-E86 PolarHBondContact O-N 2.8Å; C84-V87 PolarHBondContact O-N 3.32Å; C84-V87 VanDerWaalsContact O-N 3.15Å; C84-Y88 HydrophobicContact CB-CE1 4.25Å; C84-Y88 WeakPolarHBondContact O-CD1 3.13Å; C84-Y88 WeakPolarHBondContact O-CE1 3.48Å; C84-Y88 PolarHBondContact O-N 3.38Å; C84-L117 HydrophobicContact CB-CD2 4.31Å; C84-L117 VanDerWaalsContact SG-CD1 3.59Å
85R98.5Very high98.2Very high114 Ų11449.4 Ų49.443%0.4324%0.24SC..Hα-helixtrans-61.7-43.3178.7-49.6-142.6174.1130.7-1112E60 V81 K82 A83 V87 Y88 H89E60-R85 IonicContact OE1-CZ 2.79Å; E60-R85 VanDerWaalsContact OE1-CZ 3.31Å; E60-R85 IonicContact OE1-NE 3.88Å; E60-R85 PolarHBondContact OE1-NE 3.46Å; E60-R85 IonicContact OE1-NH2 2.82Å; E60-R85 PolarHBondContact OE1-NH2 3.1Å; E60-R85 IonicContact OE2-NE 3.01Å; V81-R85 WeakPolarHBondContact O-CG 3.04Å; V81-R85 PolarHBondContact O-N 3.31Å; V81-R85 VanDerWaalsContact O-N 3.07Å; K82-R85 PolarHBondContact O-N 3.15Å; A83-R85 VanDerWaalsContact C-N 3.33Å; A83-R85 PolarHBondContact O-N 3.24Å; R85-V87 VanDerWaalsContact C-N 3.26Å; R85-V87 PolarHBondContact O-N 2.97Å; R85-Y88 VanDerWaalsContact CA-CZ 3.48Å; R85-Y88 HydrophobicContact CB-CE1 4.44Å; R85-Y88 HydrophobicContact CB-CE2 4.3Å; R85-Y88 VanDerWaalsContact CD-OH 3.32Å; R85-Y88 WeakPolarHBondContact CD-OH 3.49Å; R85-Y88 HydrophobicContact CG-CE1 4.35Å; R85-Y88 VanDerWaalsContact CG-OH 3.22Å; R85-Y88 WeakPolarHBondContact CG-OH 3.48Å; R85-H89 VanDerWaalsContact O-CB 3.24Å; R85-H89 WeakPolarHBondContact O-CB 3.25Å; R85-H89 PolarHBondContact O-CD2 2.97Å; R85-H89 PolarHBondContact O-N 2.98Å
86E98.6Very high98.2Very high28 Ų2844 Ų4413%0.13122%0.217CC..Hα-helixtrans-58.7-41.2175.9-65.7176.9-179.600111.2K82 A83 C84 G90 Q91 H92 R120K82-E86 PolarHBondContact O-N 3.17Å; K82-E86 VanDerWaalsContact O-N 3.12Å; A83-E86 PolarHBondContact O-N 3.25Å; C84-E86 VanDerWaalsContact C-N 3.35Å; C84-E86 PolarHBondContact O-N 2.8Å; E86-G90 PolarHBondContact O-N 3.42Å; E86-Q91 HydrophobicContact CB-CB 4.3Å; E86-Q91 VanDerWaalsContact O-CB 3.31Å; E86-Q91 WeakPolarHBondContact O-CB 3.48Å; E86-Q91 PolarHBondContact O-N 2.86Å; E86-H92 IonicContact OE2-CD2 3.53Å; E86-H92 IonicContact OE2-CE1 2.77Å; E86-H92 IonicContact OE2-NE2 2.72Å; E86-H92 PolarHBondContact OE2-NE2 3.45Å; E86-R120 IonicContact OE1-CZ 2.64Å; E86-R120 IonicContact OE1-NE 3.15Å; E86-R120 PolarHBondContact OE1-NE 2.71Å; E86-R120 IonicContact OE1-NH2 3.66Å; E86-R120 PolarHBondContact OE1-NH2 2.94Å; E86-R120 WeakPolarHBondContact OE2-CD 3.34Å; E86-R120 WeakPolarHBondContact OE2-CG 3.43Å; E86-R120 IonicContact OE2-CZ 3.34Å; E86-R120 IonicContact OE2-NE 3.68Å; E86-R120 PolarHBondContact OE2-NE 3.31Å; E86-R120 IonicContact OE2-NH2 2.71Å
87V98.7Very high98.1Very high1 Ų144.7 Ų44.71%0.00622%0.223CC..Hα-helixtrans-64.7-57.2178.5171.20000112.1V52 Y53 A56 A83 C84 R85 H89 G90 H92 F96 V116 L117V52-V87 HydrophobicContact CG1-CG1 3.88Å; Y53-V87 VanDerWaalsContact CE1-O 3.28Å; Y53-V87 WeakPolarHBondContact CE1-O 3.33Å; A56-V87 HydrophobicContact CB-CB 3.94Å; A56-V87 HydrophobicContact CB-CG1 3.65Å; A83-V87 WeakPolarHBondContact O-CG2 3.42Å; A83-V87 PolarHBondContact O-N 3.03Å; A83-V87 VanDerWaalsContact O-N 3.12Å; C84-V87 PolarHBondContact O-N 3.32Å; C84-V87 VanDerWaalsContact O-N 3.15Å; R85-V87 VanDerWaalsContact C-N 3.26Å; R85-V87 PolarHBondContact O-N 2.97Å; V87-H89 PolarHBondContact O-N 2.8Å; V87-G90 PolarHBondContact O-N 2.95Å; V87-H92 HydrophobicContact CG2-CB 4.35Å; V87-F96 HydrophobicContact CB-CZ 4.45Å; V87-F96 HydrophobicContact CG1-CE2 3.78Å; V87-F96 HydrophobicContact CG1-CZ 3.6Å; V87-F96 HydrophobicContact CG2-CE2 4.37Å; V87-F96 HydrophobicContact CG2-CZ 3.93Å; V87-V116 HydrophobicContact CG2-CG1 4.38Å; V87-L117 HydrophobicContact CB-CD2 4.43Å; V87-L117 HydrophobicContact CG2-CD2 3.74Å
88Y97.9Very high98.1Very high19 Ų1944.8 Ų44.88%0.07522%0.223CC..Hα-helixtrans-75.7-2.9-176.864.4-115.6000114.3A56 M57 E60 C84 R85 L264A56-Y88 HydrophobicContact CB-CD1 4.07Å; M57-Y88 HydrophobicContact CE-CD2 4.46Å; M57-Y88 HydrophobicContact CE-CG 4.19Å; M57-Y88 HydrophobicContact CG-CD1 3.7Å; M57-Y88 HydrophobicContact CG-CE1 4.11Å; M57-Y88 HydrophobicContact CG-CG 4.08Å; E60-Y88 WeakPolarHBondContact OE2-CE1 3.43Å; E60-Y88 PolarHBondContact OE2-OH 3.23Å; C84-Y88 HydrophobicContact CB-CE1 4.25Å; C84-Y88 WeakPolarHBondContact O-CD1 3.13Å; C84-Y88 WeakPolarHBondContact O-CE1 3.48Å; C84-Y88 PolarHBondContact O-N 3.38Å; R85-Y88 VanDerWaalsContact CA-CZ 3.48Å; R85-Y88 HydrophobicContact CB-CE1 4.44Å; R85-Y88 HydrophobicContact CB-CE2 4.3Å; R85-Y88 VanDerWaalsContact CD-OH 3.32Å; R85-Y88 WeakPolarHBondContact CD-OH 3.49Å; R85-Y88 HydrophobicContact CG-CE1 4.35Å; R85-Y88 VanDerWaalsContact CG-OH 3.22Å; R85-Y88 WeakPolarHBondContact CG-OH 3.48Å; Y88-L264 HydrophobicContact CE2-CD2 4.13Å
89H97.1Very high98.1Very high115 Ų11540.9 Ų40.953%0.53220%0.202SC..THydrogen-bonded Turntrans-95.49.8165.7-72.4-53.4000113.5R85 V87R85-H89 VanDerWaalsContact O-CB 3.24Å; R85-H89 WeakPolarHBondContact O-CB 3.25Å; R85-H89 PolarHBondContact O-CD2 2.97Å; R85-H89 PolarHBondContact O-N 2.98Å; V87-H89 PolarHBondContact O-N 2.8Å
90G97.3Very high98.1Very high29 Ų2941.5 Ų41.530%0.29921%0.205SC..THydrogen-bonded Turntrans8313.6170.100000115.3E86 V87 H92 D93E86-G90 PolarHBondContact O-N 3.42Å; V87-G90 PolarHBondContact O-N 2.95Å; G90-H92 VanDerWaalsContact C-N 3.33Å; G90-D93 WeakPolarHBondContact CA-OD1 3.4Å
91Q98.3Very high98Very high126 Ų12646.1 Ų46.159%0.58922%0.222SC*.SBendtrans-78.9-18-174.8-58.7-177.427.500113.3E86E86-Q91 HydrophobicContact CB-CB 4.3Å; E86-Q91 VanDerWaalsContact O-CB 3.31Å; E86-Q91 WeakPolarHBondContact O-CB 3.48Å; E86-Q91 PolarHBondContact O-N 2.86Å
92H97.7Very high98Very high25 Ų2546.4 Ų46.412%0.11622%0.223CC..SBendtrans-130.423.3-171.8-59.4-62.7000113.6Y26 E86 V87 G90 N94 E95 F96Y26-H92 AromaticContact CE2-CE1 3.74Å; Y26-H92 AromaticContact CE2-ND1 3.64Å; E86-H92 IonicContact OE2-CD2 3.53Å; E86-H92 IonicContact OE2-CE1 2.77Å; E86-H92 IonicContact OE2-NE2 2.72Å; E86-H92 PolarHBondContact OE2-NE2 3.45Å; V87-H92 HydrophobicContact CG2-CB 4.35Å; G90-H92 VanDerWaalsContact C-N 3.33Å; H92-N94 PolarHBondContact O-N 3.16Å; H92-N94 VanDerWaalsContact O-N 3.08Å; H92-E95 HydrophobicContact CB-CG 4.2Å; H92-E95 VanDerWaalsContact O-CB 3.26Å; H92-E95 WeakPolarHBondContact O-CB 3.45Å; H92-E95 PolarHBondContact O-N 2.87Å; H92-F96 HydrophobicContact CB-CE2 4.44Å; H92-F96 WeakPolarHBondContact O-CD2 3.27Å; H92-F96 VanDerWaalsContact O-CE2 3.27Å; H92-F96 WeakPolarHBondContact O-CE2 3.13Å
93D97.8Very high97.9Very high46 Ų4642.4 Ų42.425%0.24621%0.209CC..G310 helixtrans-55.3-34.2-173.2-66.9-5.9000113.6L49 Y53 G90 E95 F96L49-D93 HydrophobicContact CD1-CB 4.13Å; L49-D93 HydrophobicContact CD2-CB 4.02Å; Y53-D93 WeakPolarHBondContact CE1-OD1 2.86Å; Y53-D93 VanDerWaalsContact OH-CG 3.26Å; Y53-D93 PolarHBondContact OH-OD1 2.85Å; Y53-D93 PolarHBondContact OH-OD2 3.13Å; G90-D93 WeakPolarHBondContact CA-OD1 3.4Å; D93-E95 PolarHBondContact O-N 3.05Å; D93-E95 VanDerWaalsContact O-N 3.08Å; D93-F96 PolarHBondContact O-N 3.25Å
94N96.6Very high97.9Very high134 Ų13443.3 Ų43.372%0.71722%0.219SC*.G310 helixtrans-68.8-3.9178.5-65.8-41.8000114.3R25 H92R25-N94 PolarHBondContact NH1-O 3.36Å; H92-N94 PolarHBondContact O-N 3.16Å; H92-N94 VanDerWaalsContact O-N 3.08Å
95E97.7Very high97.9Very high16 Ų1643.9 Ų43.98%0.07522%0.223CC..G310 helixtrans-94.43.9178.8-59.6-60.4130.800113.4R25 Y26 H92 D93 P97 N112 V116R25-E95 WeakPolarHBondContact CA-OE2 3.33Å; R25-E95 VanDerWaalsContact CD-OE1 3.26Å; R25-E95 WeakPolarHBondContact CD-OE1 3.18Å; R25-E95 IonicContact CZ-OE1 2.8Å; R25-E95 IonicContact NH1-OE1 2.75Å; R25-E95 PolarHBondContact NH1-OE1 2.99Å; Y26-E95 HydrophobicContact CD2-CG 3.95Å; Y26-E95 PolarHBondContact N-OE2 3.39Å; H92-E95 HydrophobicContact CB-CG 4.2Å; H92-E95 VanDerWaalsContact O-CB 3.26Å; H92-E95 WeakPolarHBondContact O-CB 3.45Å; H92-E95 PolarHBondContact O-N 2.87Å; D93-E95 PolarHBondContact O-N 3.05Å; D93-E95 VanDerWaalsContact O-N 3.08Å; E95-P97 WeakPolarHBondContact O-CD 3.13Å; E95-N112 PolarHBondContact O-ND2 3.12Å; E95-V116 HydrophobicContact CB-CG1 4.14Å; E95-V116 HydrophobicContact CB-CG2 3.79Å
96F97.8Very high97.9Very high13 Ų1338.5 Ų38.56%0.05720%0.202CC..  trans-117.364.5179.8-53.3-75000112.4V52 V87 H92 D93 L98 N112 V113 V116V52-F96 HydrophobicContact CB-CG 4.39Å; V52-F96 HydrophobicContact CG1-CB 4.41Å; V52-F96 HydrophobicContact CG1-CD1 3.68Å; V52-F96 HydrophobicContact CG1-CD2 3.48Å; V52-F96 VanDerWaalsContact CG1-CD2 3.48Å; V52-F96 HydrophobicContact CG1-CE1 3.71Å; V52-F96 HydrophobicContact CG1-CE2 3.5Å; V52-F96 VanDerWaalsContact CG1-CE2 3.5Å; V52-F96 HydrophobicContact CG1-CG 3.55Å; V52-F96 HydrophobicContact CG1-CZ 3.61Å; V52-F96 HydrophobicContact CG2-CB 3.9Å; V52-F96 HydrophobicContact CG2-CD1 4.18Å; V52-F96 HydrophobicContact CG2-CD2 4.46Å; V52-F96 HydrophobicContact CG2-CG 3.91Å; V87-F96 HydrophobicContact CB-CZ 4.45Å; V87-F96 HydrophobicContact CG1-CE2 3.78Å; V87-F96 HydrophobicContact CG1-CZ 3.6Å; V87-F96 HydrophobicContact CG2-CE2 4.37Å; V87-F96 HydrophobicContact CG2-CZ 3.93Å; H92-F96 HydrophobicContact CB-CE2 4.44Å; H92-F96 WeakPolarHBondContact O-CD2 3.27Å; H92-F96 VanDerWaalsContact O-CE2 3.27Å; H92-F96 WeakPolarHBondContact O-CE2 3.13Å; D93-F96 PolarHBondContact O-N 3.25Å; F96-L98 PolarHBondContact O-N 3.49Å; F96-N112 WeakPolarHBondContact CA-OD1 3.41Å; F96-V113 HydrophobicContact CD1-CG2 4.1Å; F96-V113 HydrophobicContact CE1-CB 4.41Å; F96-V113 HydrophobicContact CE1-CG2 3.75Å; F96-V116 HydrophobicContact CE1-CB 4.03Å; F96-V116 HydrophobicContact CE1-CG1 4.22Å; F96-V116 HydrophobicContact CE1-CG2 3.96Å; F96-V116 HydrophobicContact CZ-CB 4.14Å; F96-V116 HydrophobicContact CZ-CG1 3.81Å; F96-V116 HydrophobicContact CZ-CG2 4.32Å
97P96.6Very high97.9Very high39 Ų3938.8 Ų38.825%0.25321%0.206SC..  trans-81.82.7-169.136.4-39.8000114Y27 T31 L35 E95Y27-P97 HydrophobicContact CD1-CG 4.36Å; Y27-P97 HydrophobicContact CE1-CG 4.26Å; T31-P97 HydrophobicContact CG2-CG 4.23Å; L35-P97 HydrophobicContact CD1-CB 4.42Å; L35-P97 HydrophobicContact CD1-CG 3.77Å; L35-P97 HydrophobicContact CD2-CB 3.91Å; L35-P97 HydrophobicContact CD2-CG 3.87Å; L35-P97 HydrophobicContact CG-CG 4.16Å; E95-P97 WeakPolarHBondContact O-CD 3.13Å
98L98Very high97.9Very high3 Ų340 Ų402%0.01621%0.212CC..  trans-75.5143.2-172-61.2-172.9000112.5T31 S34 L35 M47 F96 Q108 N112T31-L98 HydrophobicContact CG2-CD1 4.3Å; T31-L98 HydrophobicContact CG2-CD2 3.83Å; T31-L98 HydrophobicContact CG2-CG 4.03Å; S34-L98 WeakPolarHBondContact OG-CD2 3.15Å; L35-L98 HydrophobicContact CD2-CD2 3.96Å; L35-L98 HydrophobicContact CG-CD2 3.9Å; M47-L98 PolarHBondContact N-O 3.26Å; F96-L98 PolarHBondContact O-N 3.49Å; L98-Q108 VanDerWaalsContact CD1-C 3.4Å; L98-Q108 HydrophobicContact CD1-CB 3.61Å; L98-Q108 WeakPolarHBondContact CD1-O 3.49Å; L98-N112 HydrophobicContact CD1-CB 3.68Å; L98-N112 HydrophobicContact CG-CB 4.35Å
99V98.3Very high97.9Very high6 Ų639.2 Ų39.24%0.03621%0.209CC..BIsolated β-bridgetrans-83.3161.3-179.8-61.30000112.6F38 V40 T42 D45 W101 Q102F38-V99 HydrophobicContact CB-CG2 4.14Å; F38-V99 WeakPolarHBondContact O-CG2 3.39Å; V40-V99 WeakPolarHBondContact O-CG1 3.48Å; T42-V99 HydrophobicContact CG2-CG1 4Å; D45-V99 CarbonylContact O-C 3.57Å; D45-V99 VanDerWaalsContact O-CA 3.23Å; D45-V99 WeakPolarHBondContact O-CA 3.35Å; D45-V99 WeakPolarHBondContact O-CB 2.98Å; V99-W101 HydrophobicContact CG2-CB 4.19Å; V99-W101 PolarHBondContact O-N 3.49Å; V99-Q102 WeakPolarHBondContact O-CG 3.49Å
100I98.5Very high98Very high21 Ų2133.8 Ų33.811%0.10818%0.184CC..SBendtrans-59-36.6171-64.4160000110.6D45 Q102 P385 A389D45-I100 HydrophobicContact CB-CD1 4.19Å; D45-I100 WeakPolarHBondContact O-CG1 3.4Å; D45-I100 PolarHBondContact O-N 2.81Å; I100-Q102 PolarHBondContact O-N 3.36Å; I100-P385 HydrophobicContact CG2-CB 4.18Å; I100-P385 WeakPolarHBondContact O-CB 3.49Å; I100-A389 HydrophobicContact CD1-CB 3.61Å; I100-A389 HydrophobicContact CG1-CB 3.96Å; I100-A389 HydrophobicContact CG2-CB 3.88Å
101W98.2Very high98.1Very high97 Ų9733 Ų3337%0.36717%0.172SC..SBendtrans-81.653.2-173.7-44.6116.4000113.8F38 V40 D45 V99 L386F38-W101 WeakPolarHBondContact CD1-O 3.33Å; V40-W101 HydrophobicContact CB-CB 3.84Å; V40-W101 HydrophobicContact CB-CG 4.13Å; V40-W101 HydrophobicContact CG1-CB 4.01Å; V40-W101 HydrophobicContact CG1-CG 3.85Å; V40-W101 HydrophobicContact CG2-CB 4.48Å; D45-W101 VanDerWaalsContact CB-NE1 3.33Å; D45-W101 PolarHBondContact OD2-NE1 3Å; V99-W101 HydrophobicContact CG2-CB 4.19Å; V99-W101 PolarHBondContact O-N 3.49Å; W101-L386 HydrophobicContact CH2-CD1 3.93Å; W101-L386 HydrophobicContact CZ3-CD1 3.76Å
102Q98.1Very high98.1Very high17 Ų1727.1 Ų27.18%0.07915%0.145CC..SBendtrans-111.1-157.7-177.363.4178-3.600111.5F38 M47 V99 I100 G104 T109 P385F38-Q102 HydrophobicContact CD2-CB 4.31Å; F38-Q102 HydrophobicContact CG-CB 4.24Å; M47-Q102 VanDerWaalsContact CE-NE2 3.26Å; V99-Q102 WeakPolarHBondContact O-CG 3.49Å; I100-Q102 PolarHBondContact O-N 3.36Å; Q102-G104 PolarHBondContact O-N 3.08Å; Q102-T109 PolarHBondContact NE2-OG1 3Å; Q102-T109 PolarHBondContact OE1-OG1 3.24Å; Q102-P385 HydrophobicContact CG-CG 4.15Å
103T97.7Very high98.1Very high41 Ų4125.9 Ų25.925%0.25214%0.139SC..  trans-61.9138.7172.470.80000111.3F38 S105 G106 T107 Q108F38-T103 HydrophobicContact CE2-CG2 4.22Å; F38-T103 HydrophobicContact CZ-CG2 3.76Å; T103-S105 PolarHBondContact O-N 3.48Å; T103-S105 VanDerWaalsContact O-N 3.08Å; T103-S105 PolarHBondContact OG1-OG 2.95Å; T103-S105 VanDerWaalsContact OG1-OG 3.11Å; T103-G106 PolarHBondContact O-N 3.03Å; T103-T107 PolarHBondContact OG1-N 2.75Å; T103-Q108 VanDerWaalsContact CB-OE1 3.26Å; T103-Q108 VanDerWaalsContact CG2-CD 3.5Å; T103-Q108 VanDerWaalsContact OG1-CD 3.27Å; T103-Q108 PolarHBondContact OG1-NE2 2.84Å; T103-Q108 PolarHBondContact OG1-OE1 3.1Å
104G98.1Very high98.2Very high20 Ų2023.7 Ų23.721%0.20613%0.127CC..THydrogen-bonded Turntrans-61.7-19.5-174.600000116.5Q102 V382 K384 P385Q102-G104 PolarHBondContact O-N 3.08Å; G104-V382 CarbonylContact C-O 3.51Å; G104-V382 VanDerWaalsContact CA-C 3.49Å; G104-V382 WeakPolarHBondContact CA-O 3.32Å; G104-V382 CarbonylContact O-C 3.52Å; G104-V382 WeakPolarHBondContact O-CA 3.45Å; G104-K384 VanDerWaalsContact O-CB 3.27Å; G104-K384 WeakPolarHBondContact O-CB 3.23Å; G104-K384 WeakPolarHBondContact O-CG 3.35Å; G104-K384 PolarHBondContact O-N 3.12Å; G104-P385 WeakPolarHBondContact O-CD 3.23Å
105S98.3Very high98.3Very high12 Ų1218 Ų188%0.08410%0.097CC..THydrogen-bonded Turntrans-77.1-18.7172.253.30000113.7T103 T107 F151T103-S105 PolarHBondContact O-N 3.48Å; T103-S105 VanDerWaalsContact O-N 3.08Å; T103-S105 PolarHBondContact OG1-OG 2.95Å; T103-S105 VanDerWaalsContact OG1-OG 3.11Å; S105-T107 PolarHBondContact OG-N 3.29Å; S105-T107 PolarHBondContact OG-OG1 2.86Å; S105-F151 VanDerWaalsContact O-CB 3.31Å; S105-F151 WeakPolarHBondContact O-CB 3.33Å; S105-F151 WeakPolarHBondContact O-CG 3.45Å
106G98.6Very high98.3Very high0 Ų017.3 Ų17.30%09%0.093CC..  trans76.419.2-168.500000114.4T103 Q108 T109 N110 F151T103-G106 PolarHBondContact O-N 3.03Å; G106-Q108 VanDerWaalsContact C-N 3.33Å; G106-Q108 PolarHBondContact O-N 2.79Å; G106-T109 PolarHBondContact O-N 2.72Å; G106-N110 PolarHBondContact O-N 3.15Å; G106-F151 WeakPolarHBondContact O-CD2 3.39Å
107T98.6Very high98.3Very high35 Ų3516.7 Ų16.722%0.2159%0.09CC..Hα-helixtrans-57.5-41.5-178.3-60.50000112.6T103 S105 N110 M111 S147T103-T107 PolarHBondContact OG1-N 2.75Å; S105-T107 PolarHBondContact OG-N 3.29Å; S105-T107 PolarHBondContact OG-OG1 2.86Å; T107-N110 PolarHBondContact O-N 3.15Å; T107-M111 HydrophobicContact CG2-CG 4.31Å; T107-M111 WeakPolarHBondContact O-CB 3.43Å; T107-M111 WeakPolarHBondContact O-CG 3.36Å; T107-M111 PolarHBondContact O-N 3.06Å; T107-S147 WeakPolarHBondContact OG1-CB 3.45Å; T107-S147 PolarHBondContact OG1-OG 3.2Å
108Q98.4Very high98.4Very high27 Ų2714.8 Ų14.813%0.1268%0.078CC..Hα-helixtrans-68.1-40.1-177.7-60.973.339.200111.5S34 F38 L98 T103 G106 M111 N112S34-Q108 WeakPolarHBondContact OG-CB 3.29Å; S34-Q108 VanDerWaalsContact OG-CG 3.29Å; S34-Q108 WeakPolarHBondContact OG-CG 3.26Å; F38-Q108 HydrophobicContact CE2-CG 4.47Å; L98-Q108 VanDerWaalsContact CD1-C 3.4Å; L98-Q108 HydrophobicContact CD1-CB 3.61Å; L98-Q108 WeakPolarHBondContact CD1-O 3.49Å; T103-Q108 VanDerWaalsContact CB-OE1 3.26Å; T103-Q108 VanDerWaalsContact CG2-CD 3.5Å; T103-Q108 VanDerWaalsContact OG1-CD 3.27Å; T103-Q108 PolarHBondContact OG1-NE2 2.84Å; T103-Q108 PolarHBondContact OG1-OE1 3.1Å; G106-Q108 VanDerWaalsContact C-N 3.33Å; G106-Q108 PolarHBondContact O-N 2.79Å; Q108-M111 PolarHBondContact O-N 2.84Å; Q108-N112 VanDerWaalsContact O-CB 3.27Å; Q108-N112 WeakPolarHBondContact O-CB 3.45Å; Q108-N112 PolarHBondContact O-N 2.92Å
109T98.8Very high98.4Very high1 Ų114.8 Ų14.81%0.0068%0.079CC..Hα-helixtrans-63.6-41.7172-60.80000112.5M47 I51 L55 Q102 G106 M111 N112 V113 F151M47-T109 HydrophobicContact CG-CG2 4Å; I51-T109 HydrophobicContact CG2-CG2 4.35Å; L55-T109 HydrophobicContact CD1-CG2 3.58Å; Q102-T109 PolarHBondContact NE2-OG1 3Å; Q102-T109 PolarHBondContact OE1-OG1 3.24Å; G106-T109 PolarHBondContact O-N 2.72Å; T109-M111 VanDerWaalsContact C-N 3.31Å; T109-M111 PolarHBondContact O-N 2.77Å; T109-N112 PolarHBondContact O-N 2.94Å; T109-V113 PolarHBondContact O-N 3.36Å; T109-F151 HydrophobicContact CG2-CE2 4.23Å
110N98.8Very high98.4Very high2 Ų216.4 Ų16.41%0.0118%0.084CC..Hα-helixtrans-58.7-45.2174.6177.671.5000111.2K59 G106 T107 V113 N114 N142K59-N110 WeakPolarHBondContact CE-OD1 3.38Å; K59-N110 PolarHBondContact NZ-OD1 2.96Å; G106-N110 PolarHBondContact O-N 3.15Å; T107-N110 PolarHBondContact O-N 3.15Å; N110-V113 PolarHBondContact O-N 3.02Å; N110-N114 PolarHBondContact ND2-ND2 2.94Å; N110-N114 PolarHBondContact O-N 3.46Å; N110-N114 PolarHBondContact O-ND2 3.45Å; N110-N114 PolarHBondContact O-OD1 2.83Å; N110-N142 PolarHBondContact ND2-OD1 3.28Å; N110-N142 VanDerWaalsContact ND2-OD1 3.09Å
111M98.5Very high98.4Very high13 Ų1315.4 Ų15.46%0.0648%0.079CC..Hα-helixtrans-68.3-35.1177.5-72.1-55.7-5000112.9Q30 T107 Q108 T109 N114 E115 P137Q30-M111 HydrophobicContact CB-CB 4.33Å; T107-M111 HydrophobicContact CG2-CG 4.31Å; T107-M111 WeakPolarHBondContact O-CB 3.43Å; T107-M111 WeakPolarHBondContact O-CG 3.36Å; T107-M111 PolarHBondContact O-N 3.06Å; Q108-M111 PolarHBondContact O-N 2.84Å; T109-M111 VanDerWaalsContact C-N 3.31Å; T109-M111 PolarHBondContact O-N 2.77Å; M111-N114 HydrophobicContact CE-CB 4.38Å; M111-N114 WeakPolarHBondContact O-CB 3.19Å; M111-N114 PolarHBondContact O-N 3.48Å; M111-N114 PolarHBondContact SD-ND2 3.49Å; M111-E115 WeakPolarHBondContact O-CB 3.27Å; M111-E115 VanDerWaalsContact O-CG 3.29Å; M111-E115 WeakPolarHBondContact O-CG 3.44Å; M111-E115 PolarHBondContact O-N 3.47Å; M111-P137 HydrophobicContact CE-CB 4.49Å
112N98.7Very high98.3Very high1 Ų111 Ų111%0.0056%0.063CC..Hα-helixtrans-61.4-45.4174.6179.5-169000111.3T31 E95 F96 L98 Q108 T109 E115 V116T31-N112 HydrophobicContact CG2-CB 4.15Å; T31-N112 WeakPolarHBondContact OG1-CA 3.3Å; T31-N112 WeakPolarHBondContact OG1-CB 3.48Å; E95-N112 PolarHBondContact O-ND2 3.12Å; F96-N112 WeakPolarHBondContact CA-OD1 3.41Å; L98-N112 HydrophobicContact CD1-CB 3.68Å; L98-N112 HydrophobicContact CG-CB 4.35Å; Q108-N112 VanDerWaalsContact O-CB 3.27Å; Q108-N112 WeakPolarHBondContact O-CB 3.45Å; Q108-N112 PolarHBondContact O-N 2.92Å; T109-N112 PolarHBondContact O-N 2.94Å; N112-E115 PolarHBondContact O-N 3.47Å; N112-V116 WeakPolarHBondContact O-CB 3.05Å; N112-V116 VanDerWaalsContact O-CG2 3.29Å; N112-V116 WeakPolarHBondContact O-CG2 3.39Å; N112-V116 PolarHBondContact O-N 3.06Å
113V98.8Very high98.3Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-61.8-45.2172.4175.40000111.1V52 L55 K59 F96 T109 N110 E115 V116 L117V52-V113 HydrophobicContact CG1-CG2 4.29Å; L55-V113 HydrophobicContact CB-CB 4.27Å; L55-V113 HydrophobicContact CB-CG1 4.03Å; L55-V113 HydrophobicContact CB-CG2 3.91Å; L55-V113 HydrophobicContact CD1-CG2 3.81Å; K59-V113 HydrophobicContact CG-CG1 4.22Å; F96-V113 HydrophobicContact CD1-CG2 4.1Å; F96-V113 HydrophobicContact CE1-CB 4.41Å; F96-V113 HydrophobicContact CE1-CG2 3.75Å; T109-V113 PolarHBondContact O-N 3.36Å; N110-V113 PolarHBondContact O-N 3.02Å; V113-E115 PolarHBondContact O-N 3.19Å; V113-V116 PolarHBondContact O-N 3.5Å; V113-L117 HydrophobicContact CG1-CD1 3.53Å; V113-L117 HydrophobicContact CG1-CG 4.07Å; V113-L117 WeakPolarHBondContact O-CB 3.07Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 2.96Å
114N98.7Very high98.3Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-58.6-45.6177.3-66.4-25.3000112.7K59 N110 M111 S118 P137 V141 N142K59-N114 WeakPolarHBondContact CE-OD1 3.46Å; K59-N114 PolarHBondContact NZ-OD1 3.1Å; K59-N114 VanDerWaalsContact NZ-OD1 3.11Å; N110-N114 PolarHBondContact ND2-ND2 2.94Å; N110-N114 PolarHBondContact O-N 3.46Å; N110-N114 PolarHBondContact O-ND2 3.45Å; N110-N114 PolarHBondContact O-OD1 2.83Å; M111-N114 HydrophobicContact CE-CB 4.38Å; M111-N114 WeakPolarHBondContact O-CB 3.19Å; M111-N114 PolarHBondContact O-N 3.48Å; M111-N114 PolarHBondContact SD-ND2 3.49Å; N114-S118 WeakPolarHBondContact O-CB 3.43Å; N114-S118 PolarHBondContact O-N 3.23Å; N114-P137 HydrophobicContact CB-CB 4Å; N114-V141 HydrophobicContact CB-CB 4.42Å; N114-V141 HydrophobicContact CB-CG1 4.34Å; N114-N142 WeakPolarHBondContact ND2-CB 3.35Å; N114-N142 VanDerWaalsContact ND2-CG 3.33Å; N114-N142 PolarHBondContact ND2-OD1 2.83Å
115E98.2Very high98.2Very high15 Ų1513.7 Ų13.77%0.077%0.069CC..Hα-helixtrans-66.3-45.2-179.1-73.6178.2152.400111.9G28 A29 Q30 T31 M111 N112 V113 S118 S119 P137G28-E115 VanDerWaalsContact C-OE1 3.28Å; G28-E115 WeakPolarHBondContact CA-OE1 3.33Å; G28-E115 VanDerWaalsContact CA-OE2 3.27Å; G28-E115 WeakPolarHBondContact CA-OE2 3Å; G28-E115 PolarHBondContact N-OE2 3.26Å; A29-E115 PolarHBondContact N-OE1 3Å; A29-E115 VanDerWaalsContact N-OE1 3.09Å; Q30-E115 WeakPolarHBondContact CB-OE1 3.44Å; Q30-E115 PolarHBondContact N-OE1 3.08Å; T31-E115 VanDerWaalsContact CB-OE2 3.26Å; T31-E115 WeakPolarHBondContact CB-OE2 3.44Å; T31-E115 PolarHBondContact N-OE2 3.19Å; T31-E115 VanDerWaalsContact N-OE2 3.1Å; T31-E115 PolarHBondContact OG1-OE2 3.11Å; M111-E115 WeakPolarHBondContact O-CB 3.27Å; M111-E115 VanDerWaalsContact O-CG 3.29Å; M111-E115 WeakPolarHBondContact O-CG 3.44Å; M111-E115 PolarHBondContact O-N 3.47Å; N112-E115 PolarHBondContact O-N 3.47Å; V113-E115 PolarHBondContact O-N 3.19Å; E115-S118 PolarHBondContact O-N 3.3Å; E115-S119 WeakPolarHBondContact O-CB 3.22Å; E115-S119 PolarHBondContact O-N 3.04Å; E115-P137 HydrophobicContact CG-CB 4.3Å
116V98.4Very high98.1Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-62.9-49178.2170.90000110.6V87 E95 F96 N112 V113 S118 S119 R120V87-V116 HydrophobicContact CG2-CG1 4.38Å; E95-V116 HydrophobicContact CB-CG1 4.14Å; E95-V116 HydrophobicContact CB-CG2 3.79Å; F96-V116 HydrophobicContact CE1-CB 4.03Å; F96-V116 HydrophobicContact CE1-CG1 4.22Å; F96-V116 HydrophobicContact CE1-CG2 3.96Å; F96-V116 HydrophobicContact CZ-CB 4.14Å; F96-V116 HydrophobicContact CZ-CG1 3.81Å; F96-V116 HydrophobicContact CZ-CG2 4.32Å; N112-V116 WeakPolarHBondContact O-CB 3.05Å; N112-V116 VanDerWaalsContact O-CG2 3.29Å; N112-V116 WeakPolarHBondContact O-CG2 3.39Å; N112-V116 PolarHBondContact O-N 3.06Å; V113-V116 PolarHBondContact O-N 3.5Å; V116-S118 PolarHBondContact O-N 3.35Å; V116-S119 PolarHBondContact O-N 2.9Å; V116-R120 WeakPolarHBondContact O-CB 3.46Å; V116-R120 PolarHBondContact O-N 3Å
117L98.7Very high97.9Very high0 Ų019.8 Ų19.80%012%0.118CC..Hα-helixtrans-63.2-42.3178.4-66.8176.1000111.9K59 A83 C84 V87 V113 R120 A121 V141K59-L117 HydrophobicContact CB-CD1 3.63Å; K59-L117 HydrophobicContact CG-CD1 3.66Å; A83-L117 HydrophobicContact CB-CD2 3.94Å; C84-L117 HydrophobicContact CB-CD2 4.31Å; C84-L117 VanDerWaalsContact SG-CD1 3.59Å; V87-L117 HydrophobicContact CB-CD2 4.43Å; V87-L117 HydrophobicContact CG2-CD2 3.74Å; V113-L117 HydrophobicContact CG1-CD1 3.53Å; V113-L117 HydrophobicContact CG1-CG 4.07Å; V113-L117 WeakPolarHBondContact O-CB 3.07Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 2.96Å; L117-R120 PolarHBondContact O-N 3.34Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.44Å; L117-V141 HydrophobicContact CB-CG1 4.11Å; L117-V141 HydrophobicContact CB-CG2 4.5Å; L117-V141 HydrophobicContact CD1-CG1 3.94Å
118S98.2Very high97.4Very high0 Ų021.6 Ų21.60%013%0.132CC..Hα-helixtrans-60.7-47.8176.4155.90000111.8N114 E115 V116 S122 V135 P137N114-S118 WeakPolarHBondContact O-CB 3.43Å; N114-S118 PolarHBondContact O-N 3.23Å; E115-S118 PolarHBondContact O-N 3.3Å; V116-S118 PolarHBondContact O-N 3.35Å; S118-S122 WeakPolarHBondContact O-CB 3.47Å; S118-S122 PolarHBondContact O-N 2.92Å; S118-S122 PolarHBondContact O-OG 3.22Å; S118-V135 WeakPolarHBondContact CB-O 3.49Å; S118-V135 PolarHBondContact OG-O 3.34Å; S118-P137 WeakPolarHBondContact OG-CD 3.31Å
119S97.3Very high96.8Very high3 Ų324.1 Ų24.12%0.02114%0.141CC..Hα-helixtrans-64.7-43.8179.5-169.10000111Y26 E115 V116 S122 E123Y26-S119 VanDerWaalsContact O-CB 3.22Å; Y26-S119 WeakPolarHBondContact O-CB 3.15Å; E115-S119 WeakPolarHBondContact O-CB 3.22Å; E115-S119 PolarHBondContact O-N 3.04Å; V116-S119 PolarHBondContact O-N 2.9Å; S119-S122 PolarHBondContact O-N 3.26Å; S119-E123 PolarHBondContact O-N 3.27Å
120R97.9Very high95.9Very high40 Ų4026.6 Ų26.615%0.15116%0.158CC..Hα-helixtrans-68.9-42.9179.1-179.257.6-174.31523.5112.6Y26 A83 E86 V116 L117 S122 E123 L124Y26-R120 HydrophobicContact CD1-CB 4.13Å; Y26-R120 HydrophobicContact CE1-CB 3.95Å; Y26-R120 HydrophobicContact CE1-CG 4.45Å; Y26-R120 WeakPolarHBondContact OH-CD 3.49Å; A83-R120 HydrophobicContact CB-CB 3.97Å; A83-R120 HydrophobicContact CB-CG 3.8Å; E86-R120 IonicContact OE1-CZ 2.64Å; E86-R120 IonicContact OE1-NE 3.15Å; E86-R120 PolarHBondContact OE1-NE 2.71Å; E86-R120 IonicContact OE1-NH2 3.66Å; E86-R120 PolarHBondContact OE1-NH2 2.94Å; E86-R120 WeakPolarHBondContact OE2-CD 3.34Å; E86-R120 WeakPolarHBondContact OE2-CG 3.43Å; E86-R120 IonicContact OE2-CZ 3.34Å; E86-R120 IonicContact OE2-NE 3.68Å; E86-R120 PolarHBondContact OE2-NE 3.31Å; E86-R120 IonicContact OE2-NH2 2.71Å; V116-R120 WeakPolarHBondContact O-CB 3.46Å; V116-R120 PolarHBondContact O-N 3Å; L117-R120 PolarHBondContact O-N 3.34Å; R120-S122 VanDerWaalsContact C-N 3.32Å; R120-S122 PolarHBondContact O-N 3.26Å; R120-E123 IonicContact NH1-OE1 2.82Å; R120-E123 PolarHBondContact NH1-OE1 3Å; R120-E123 WeakPolarHBondContact O-CB 3.36Å; R120-E123 PolarHBondContact O-N 3.25Å; R120-L124 HydrophobicContact CG-CD1 4.48Å; R120-L124 WeakPolarHBondContact O-CG 3.49Å; R120-L124 PolarHBondContact O-N 2.64Å
121A98.4Very high94.9Very high0 Ų030 Ų300%018%0.182CC..Hα-helixtrans-65.9-35.4177.200000112A79 I80 A83 L117 L124 I125 V135A79-A121 HydrophobicContact CB-CB 3.91Å; I80-A121 HydrophobicContact CG1-CB 4.14Å; A83-A121 HydrophobicContact CB-CB 4.26Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.44Å; A121-L124 PolarHBondContact O-N 3Å; A121-I125 WeakPolarHBondContact O-CG1 3.37Å; A121-I125 PolarHBondContact O-N 3Å; A121-V135 HydrophobicContact CB-CB 4.21Å; A121-V135 HydrophobicContact CB-CG1 4.27Å; A121-V135 HydrophobicContact CB-CG2 3.74Å
122S97.8Very high94.3Very high4 Ų439.6 Ų39.63%0.02822%0.217CC..Hα-helixtrans-64-46.4171.8-57.60000111S118 S119 R120 L124 I125 D126 T134 V135S118-S122 WeakPolarHBondContact O-CB 3.47Å; S118-S122 PolarHBondContact O-N 2.92Å; S118-S122 PolarHBondContact O-OG 3.22Å; S119-S122 PolarHBondContact O-N 3.26Å; R120-S122 VanDerWaalsContact C-N 3.32Å; R120-S122 PolarHBondContact O-N 3.26Å; S122-L124 VanDerWaalsContact C-N 3.31Å; S122-L124 PolarHBondContact O-N 3.29Å; S122-I125 PolarHBondContact O-N 3.47Å; S122-D126 WeakPolarHBondContact O-CB 3.41Å; S122-D126 PolarHBondContact O-N 3.37Å; S122-T134 PolarHBondContact OG-N 3.27Å; S122-V135 PolarHBondContact OG-N 3.44Å
123E96.9Very high94Very high38 Ų3842.4 Ų42.418%0.17823%0.232CC..Hα-helixtrans-58.7-40.7176.2-174.6179.9138.100112.4Y26 S119 R120 I125 G127 R129Y26-E123 VanDerWaalsContact CE1-OE2 3.22Å; Y26-E123 WeakPolarHBondContact CE1-OE2 3.26Å; Y26-E123 PolarHBondContact OH-OE2 3.44Å; S119-E123 PolarHBondContact O-N 3.27Å; R120-E123 IonicContact NH1-OE1 2.82Å; R120-E123 PolarHBondContact NH1-OE1 3Å; R120-E123 WeakPolarHBondContact O-CB 3.36Å; R120-E123 PolarHBondContact O-N 3.25Å; E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 3.3Å; E123-G127 WeakPolarHBondContact O-CA 3.36Å; E123-G127 PolarHBondContact O-N 3.1Å; E123-R129 HydrophobicContact CG-CB 4.44Å; E123-R129 IonicContact OE2-CZ 3.7Å; E123-R129 IonicContact OE2-NE 2.98Å; E123-R129 PolarHBondContact OE2-NE 3.29Å; E123-R129 IonicContact OE2-NH2 2.9Å; E123-R129 PolarHBondContact OE2-NH2 3.33Å
124L97.5Very high93.9Very high63 Ų6345.1 Ų45.133%0.3325%0.249SC..Hα-helixtrans-63.5-29.5175.3-73.8172.6000113.4K82 R120 A121 S122K82-L124 HydrophobicContact CB-CD1 3.76Å; R120-L124 HydrophobicContact CG-CD1 4.48Å; R120-L124 WeakPolarHBondContact O-CG 3.49Å; R120-L124 PolarHBondContact O-N 2.64Å; A121-L124 PolarHBondContact O-N 3Å; S122-L124 VanDerWaalsContact C-N 3.31Å; S122-L124 PolarHBondContact O-N 3.29Å
125I97.5Very high93.8Very high33 Ų3345.1 Ų45.117%0.16925%0.249CC..Hα-helixtrans-85-45.6179-73.6170.5000111.5K75 L76 A79 A121 S122 E123 T134 V135K75-I125 HydrophobicContact CD-CG2 4.45Å; K75-I125 HydrophobicContact CG-CD1 4.33Å; K75-I125 HydrophobicContact CG-CG1 4.4Å; L76-I125 HydrophobicContact CD2-CD1 3.99Å; A79-I125 HydrophobicContact CB-CD1 3.62Å; A79-I125 HydrophobicContact CB-CG1 3.65Å; A121-I125 WeakPolarHBondContact O-CG1 3.37Å; A121-I125 PolarHBondContact O-N 3Å; S122-I125 PolarHBondContact O-N 3.47Å; E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 3.3Å; I125-T134 HydrophobicContact CD1-CG2 4.24Å; I125-T134 HydrophobicContact CG2-CG2 3.9Å; I125-V135 HydrophobicContact CD1-CG2 3.8Å
126D96.1Very high93.8Very high69 Ų6948.1 Ų48.137%0.36926%0.262SS..Hα-helixtrans-88.1-10.6-170.9-61.2-34.1000112S122 S128 T134S122-D126 WeakPolarHBondContact O-CB 3.41Å; S122-D126 PolarHBondContact O-N 3.37Å; D126-S128 PolarHBondContact O-N 3.16Å; D126-T134 VanDerWaalsContact CG-OG1 3.25Å; D126-T134 PolarHBondContact OD1-OG1 2.85Å; D126-T134 WeakPolarHBondContact OD2-CB 3.46Å; D126-T134 PolarHBondContact OD2-OG1 3.17Å
127G93.9Very high93.8Very high71 Ų7148.8 Ų48.873%0.73227%0.267SS*.SBendtrans75.2-2.7-179.800000114.3E123E123-G127 WeakPolarHBondContact O-CA 3.36Å; E123-G127 PolarHBondContact O-N 3.1Å
128S88.6Confident93.7Very high74 Ų7452.4 Ų52.452%0.51729%0.286SS..SBendtrans-154.7156.7177.861.40000111D126D126-S128 PolarHBondContact O-N 3.16Å
129R84.6Confident93.7Very high80 Ų8056.4 Ų56.430%0.30231%0.308SS..  trans-75.2133.9178.8-166.2175.2-65.1179.90.6110.7L23 E24 Y26 E123L23-R129 PolarHBondContact O-NH1 2.93Å; E24-R129 VanDerWaalsContact CA-NH1 3.32Å; E24-R129 PolarHBondContact O-NH1 3.3Å; Y26-R129 VanDerWaalsContact CE2-NH2 3.28Å; Y26-R129 PolarHBondContact OH-NH2 3.33Å; E123-R129 HydrophobicContact CG-CB 4.44Å; E123-R129 IonicContact OE2-CZ 3.7Å; E123-R129 IonicContact OE2-NE 2.98Å; E123-R129 PolarHBondContact OE2-NE 3.29Å; E123-R129 IonicContact OE2-NH2 2.9Å; E123-R129 PolarHBondContact OE2-NH2 3.33Å
130S80Confident93.7Very high53 Ų5358.6 Ų58.637%0.37132%0.317SS..  trans-139.1150.6-177.4176.60000111.6R132S130-R132 PolarHBondContact OG-N 3.38Å; S130-R132 PolarHBondContact OG-O 2.95Å
131S78.4Confident93.7Very high73 Ų7356.9 Ų56.951%0.5131%0.311SS..SBendtrans-69-24.4168.9-48.80000112.2
132R85.9Confident93.7Very high214 Ų21457.4 Ų57.481%0.80831%0.314SS*.SBendtrans-91.4114.8175.1-174.1178.5-178.7178.50.6108.7S130S130-R132 PolarHBondContact OG-N 3.38Å; S130-R132 PolarHBondContact OG-O 2.95Å
133L92.2Very high93.7Very high60 Ų6058.6 Ų58.631%0.31432%0.32SS..  trans-90.7122.6-174.9-62168.9000111V135L133-V135 VanDerWaalsContact C-N 3.32Å
134T96.1Very high93.7Very high57 Ų5757.3 Ų57.335%0.3532%0.317SS..SBendtrans-71.5-31.1169.3-65.80000111.4L76 S122 I125 D126L76-T134 HydrophobicContact CD2-CG2 4.32Å; S122-T134 PolarHBondContact OG-N 3.27Å; I125-T134 HydrophobicContact CD1-CG2 4.24Å; I125-T134 HydrophobicContact CG2-CG2 3.9Å; D126-T134 VanDerWaalsContact CG-OG1 3.25Å; D126-T134 PolarHBondContact OD1-OG1 2.85Å; D126-T134 WeakPolarHBondContact OD2-CB 3.46Å; D126-T134 PolarHBondContact OD2-OG1 3.17Å
135V98.1Very high93.8Very high0 Ų055.1 Ų55.10%031%0.305CS..SBendtrans-103113.5174.3-175.70000108.9L76 I80 S118 A121 S122 I125 L133 H140 V141L76-V135 HydrophobicContact CD2-CG2 3.8Å; I80-V135 HydrophobicContact CD1-CG1 3.87Å; I80-V135 HydrophobicContact CG1-CG1 3.82Å; S118-V135 WeakPolarHBondContact CB-O 3.49Å; S118-V135 PolarHBondContact OG-O 3.34Å; A121-V135 HydrophobicContact CB-CB 4.21Å; A121-V135 HydrophobicContact CB-CG1 4.27Å; A121-V135 HydrophobicContact CB-CG2 3.74Å; S122-V135 PolarHBondContact OG-N 3.44Å; I125-V135 HydrophobicContact CD1-CG2 3.8Å; L133-V135 VanDerWaalsContact C-N 3.32Å; V135-H140 HydrophobicContact CG1-CB 3.91Å; V135-V141 HydrophobicContact CG1-CG2 3.84Å
136H97.2Very high93.8Very high78 Ų7854.6 Ų54.636%0.36131%0.305SS..  trans-79.1133.9178.5-165.2-114.1000111.5N138 D139 H140 V141H136-N138 VanDerWaalsContact C-N 3.31Å; H136-N138 PolarHBondContact O-N 3.35Å; H136-D139 HydrophobicContact CB-CB 4.14Å; H136-D139 IonicContact CE1-OD1 2.92Å; H136-D139 IonicContact CE1-OD2 3.5Å; H136-D139 PolarHBondContact CE1-OD2 3.04Å; H136-D139 IonicContact CG-OD2 3.72Å; H136-D139 PolarHBondContact ND1-N 2.87Å; H136-D139 VanDerWaalsContact ND1-N 3.16Å; H136-D139 IonicContact ND1-OD1 2.92Å; H136-D139 IonicContact ND1-OD2 2.78Å; H136-D139 PolarHBondContact ND1-OD2 3.33Å; H136-H140 PolarHBondContact N-ND1 3.45Å; H136-H140 WeakPolarHBondContact O-CB 3.43Å; H136-H140 PolarHBondContact O-N 2.82Å; H136-H140 VanDerWaalsContact O-N 3.12Å; H136-V141 PolarHBondContact O-N 2.63Å
137P97.6Very high93.9Very high15 Ų1552.1 Ų52.110%0.09729%0.292CS..Iπ-helixtrans-63.5-35.6-17824.2-33.5000112.6M111 N114 E115 S118 V141 N142M111-P137 HydrophobicContact CE-CB 4.49Å; N114-P137 HydrophobicContact CB-CB 4Å; E115-P137 HydrophobicContact CG-CB 4.3Å; S118-P137 WeakPolarHBondContact OG-CD 3.31Å; P137-V141 WeakPolarHBondContact O-CB 2.96Å; P137-N142 WeakPolarHBondContact O-CB 3.32Å; P137-N142 PolarHBondContact O-N 3.49Å
138N97.3Very high94.1Very high76 Ų7650.2 Ų50.241%0.40627%0.265SS..Iπ-helixtrans-86.6-49.1179.2-171.174.8000112.5H136 N142 L143H136-N138 VanDerWaalsContact C-N 3.31Å; H136-N138 PolarHBondContact O-N 3.35Å; N138-N142 CarbonylContact O-C 3.51Å; N138-N142 VanDerWaalsContact O-C 3.24Å; N138-N142 WeakPolarHBondContact O-CA 3.42Å; N138-N142 WeakPolarHBondContact O-CB 3.39Å; N138-N142 PolarHBondContact O-N 3.11Å; N138-L143 PolarHBondContact O-N 2.79Å
139D97.4Very high94.6Very high84 Ų8446.7 Ų46.745%0.44924%0.241SC..Iπ-helixtrans-85.1-17.6-166.1-51.4-24.4000112.8H136 L143H136-D139 HydrophobicContact CB-CB 4.14Å; H136-D139 IonicContact CE1-OD1 2.92Å; H136-D139 IonicContact CE1-OD2 3.5Å; H136-D139 PolarHBondContact CE1-OD2 3.04Å; H136-D139 IonicContact CG-OD2 3.72Å; H136-D139 PolarHBondContact ND1-N 2.87Å; H136-D139 VanDerWaalsContact ND1-N 3.16Å; H136-D139 IonicContact ND1-OD1 2.92Å; H136-D139 IonicContact ND1-OD2 2.78Å; H136-D139 PolarHBondContact ND1-OD2 3.33Å; D139-L143 WeakPolarHBondContact O-CB 3.39Å
140H98.3Very high95.2Very high48 Ų4842.9 Ų42.922%0.22223%0.226CC..Iπ-helixtrans-113.7-55.2176.6-54.6155.1000111.7I80 V135 H136I80-H140 HydrophobicContact CD1-CB 4.22Å; V135-H140 HydrophobicContact CG1-CB 3.91Å; H136-H140 PolarHBondContact N-ND1 3.45Å; H136-H140 WeakPolarHBondContact O-CB 3.43Å; H136-H140 PolarHBondContact O-N 2.82Å; H136-H140 VanDerWaalsContact O-N 3.12Å
141V98.7Very high96.1Very high4 Ų440.3 Ų40.32%0.02421%0.209CC..Iπ-helixtrans-73.2-39.7-175.9-170.90000111.6K59 I80 N114 L117 V135 H136 P137 Q145K59-V141 HydrophobicContact CB-CG1 4.29Å; K59-V141 HydrophobicContact CD-CG1 4.16Å; K59-V141 HydrophobicContact CG-CG1 4.04Å; I80-V141 HydrophobicContact CD1-CG2 4.21Å; I80-V141 HydrophobicContact CG1-CG2 4.29Å; N114-V141 HydrophobicContact CB-CB 4.42Å; N114-V141 HydrophobicContact CB-CG1 4.34Å; L117-V141 HydrophobicContact CB-CG1 4.11Å; L117-V141 HydrophobicContact CB-CG2 4.5Å; L117-V141 HydrophobicContact CD1-CG1 3.94Å; V135-V141 HydrophobicContact CG1-CG2 3.84Å; H136-V141 PolarHBondContact O-N 2.63Å; P137-V141 WeakPolarHBondContact O-CB 2.96Å; V141-Q145 PolarHBondContact O-NE2 3.47Å
142N98.5Very high97.1Very high12 Ų1237 Ų376%0.06419%0.185CC..THydrogen-bonded Turntrans-96.617.4179.1-150.668.4000113.5K59 N110 N114 P137 N138 G144 Q145K59-N142 PolarHBondContact NZ-OD1 3.04Å; N110-N142 PolarHBondContact ND2-OD1 3.28Å; N110-N142 VanDerWaalsContact ND2-OD1 3.09Å; N114-N142 WeakPolarHBondContact ND2-CB 3.35Å; N114-N142 VanDerWaalsContact ND2-CG 3.33Å; N114-N142 PolarHBondContact ND2-OD1 2.83Å; P137-N142 WeakPolarHBondContact O-CB 3.32Å; P137-N142 PolarHBondContact O-N 3.49Å; N138-N142 CarbonylContact O-C 3.51Å; N138-N142 VanDerWaalsContact O-C 3.24Å; N138-N142 WeakPolarHBondContact O-CA 3.42Å; N138-N142 WeakPolarHBondContact O-CB 3.39Å; N138-N142 PolarHBondContact O-N 3.11Å; N142-G144 PolarHBondContact O-N 3.33Å; N142-Q145 PolarHBondContact ND2-O 2.84Å; N142-Q145 VanDerWaalsContact ND2-O 3.12Å; N142-Q145 WeakPolarHBondContact O-CB 3.25Å; N142-Q145 PolarHBondContact O-N 3.29Å; N142-Q145 VanDerWaalsContact O-N 3.12Å
143L97.6Very high97.7Very high28 Ų2826.8 Ų26.815%0.14715%0.147CC..THydrogen-bonded Turntrans-62126-176.1-177.262.2000111.7N66 R71 I72 N138 D139 Q145N66-L143 HydrophobicContact CB-CD2 4.22Å; N66-L143 PolarHBondContact ND2-O 2.86Å; R71-L143 HydrophobicContact CB-CD2 3.84Å; I72-L143 HydrophobicContact CG2-CD2 3.31Å; N138-L143 PolarHBondContact O-N 2.79Å; D139-L143 WeakPolarHBondContact O-CB 3.39Å; L143-Q145 VanDerWaalsContact C-N 3.26Å; L143-Q145 PolarHBondContact O-N 3.49Å; L143-Q145 PolarHBondContact O-NE2 3.18Å
144G96.5Very high98Very high11 Ų1123.9 Ų23.911%0.11313%0.132CC..THydrogen-bonded Turntrans74.712.2179.800000114.4N142N142-G144 PolarHBondContact O-N 3.33Å
145Q98.4Very high98.2Very high18 Ų1821.2 Ų21.28%0.08412%0.115CC..  trans-123.9156.9-170.9-64.6164.86900111.8K59 V141 N142 L143 I150 F249K59-Q145 VanDerWaalsContact CD-OE1 3.28Å; V141-Q145 PolarHBondContact O-NE2 3.47Å; N142-Q145 PolarHBondContact ND2-O 2.84Å; N142-Q145 VanDerWaalsContact ND2-O 3.12Å; N142-Q145 WeakPolarHBondContact O-CB 3.25Å; N142-Q145 PolarHBondContact O-N 3.29Å; N142-Q145 VanDerWaalsContact O-N 3.12Å; L143-Q145 VanDerWaalsContact C-N 3.26Å; L143-Q145 PolarHBondContact O-N 3.49Å; L143-Q145 PolarHBondContact O-NE2 3.18Å; Q145-I150 HydrophobicContact CB-CD1 4.18Å; Q145-I150 HydrophobicContact CB-CG1 3.64Å; Q145-I150 HydrophobicContact CG-CD1 3.92Å; Q145-I150 HydrophobicContact CG-CG1 3.88Å; Q145-F249 HydrophobicContact CG-CZ 4.32Å
146S98.4Very high98.2Very high22 Ų2221.9 Ų21.915%0.15412%0.119CC..  trans-123.7153.7168.8177.20000109.7N148 D149 I150 T237S146-N148 PolarHBondContact O-N 3.08Å; S146-N148 WeakPolarHBondContact OG-CB 3.43Å; S146-N148 PolarHBondContact OG-N 3.45Å; S146-N148 VanDerWaalsContact OG-N 3.08Å; S146-D149 WeakPolarHBondContact CA-OD1 3.47Å; S146-D149 WeakPolarHBondContact CB-OD1 3.32Å; S146-D149 PolarHBondContact N-OD1 2.97Å; S146-D149 PolarHBondContact O-N 3.5Å; S146-I150 VanDerWaalsContact O-CB 3.25Å; S146-I150 WeakPolarHBondContact O-CB 3.44Å; S146-I150 VanDerWaalsContact O-CG1 3.25Å; S146-I150 WeakPolarHBondContact O-CG1 3.46Å; S146-I150 PolarHBondContact O-N 3.17Å; S146-T237 WeakPolarHBondContact CB-O 3.25Å; S146-T237 PolarHBondContact OG-O 3.36Å
147S97.7Very high98.3Very high16 Ų1618.2 Ų18.211%0.11210%0.102CC..Hα-helixtrans-59.1-30.6166.1510000111.7T107 D149 F151T107-S147 WeakPolarHBondContact OG1-CB 3.45Å; T107-S147 PolarHBondContact OG1-OG 3.2Å; S147-D149 VanDerWaalsContact C-N 3.34Å; S147-D149 PolarHBondContact O-N 3.49Å; S147-F151 WeakPolarHBondContact O-CB 3.35Å; S147-F151 PolarHBondContact O-N 3.24Å
148N98.5Very high98.3Very high31 Ų3117.5 Ų17.517%0.16610%0.097CC..Hα-helixtrans-68.2-32.8-173.9-66-2000112.2S146 P152 A238 L290 L380S146-N148 PolarHBondContact O-N 3.08Å; S146-N148 WeakPolarHBondContact OG-CB 3.43Å; S146-N148 PolarHBondContact OG-N 3.45Å; S146-N148 VanDerWaalsContact OG-N 3.08Å; N148-P152 WeakPolarHBondContact O-CD 3.18Å; N148-P152 WeakPolarHBondContact O-CG 3.37Å; N148-A238 PolarHBondContact ND2-O 3.3Å; N148-L290 WeakPolarHBondContact O-CD2 3.44Å; N148-L380 HydrophobicContact CB-CD1 3.84Å; N148-L380 HydrophobicContact CB-CD2 4.41Å
149D98.6Very high98.4Very high0 Ų013.9 Ų13.90%08%0.078CC..Hα-helixtrans-100-26.2176.370.5-25000113.7S146 S147 P152 T153 A233 G235 G236 T237 L290S146-D149 WeakPolarHBondContact CA-OD1 3.47Å; S146-D149 WeakPolarHBondContact CB-OD1 3.32Å; S146-D149 PolarHBondContact N-OD1 2.97Å; S146-D149 PolarHBondContact O-N 3.5Å; S147-D149 VanDerWaalsContact C-N 3.34Å; S147-D149 PolarHBondContact O-N 3.49Å; D149-P152 WeakPolarHBondContact O-CG 3.16Å; D149-T153 VanDerWaalsContact O-CB 3.29Å; D149-T153 WeakPolarHBondContact O-CB 3.41Å; D149-T153 PolarHBondContact O-N 3.37Å; D149-T153 PolarHBondContact O-OG1 3.34Å; D149-A233 HydrophobicContact CB-CB 4.48Å; D149-A233 WeakPolarHBondContact CB-O 3.14Å; D149-G235 PolarHBondContact OD2-N 3.21Å; D149-G236 PolarHBondContact OD2-N 3.08Å; D149-T237 VanDerWaalsContact CG-N 3.32Å; D149-T237 WeakPolarHBondContact OD2-CA 3.15Å; D149-T237 PolarHBondContact OD2-N 3.43Å; D149-L290 HydrophobicContact CB-CD2 3.93Å
150I98.7Very high98.5Very high0 Ų09.9 Ų9.90%06%0.056CC..Hα-helixtrans-81.5-41-179.4-63.1-46.4000113.6L55 I58 Q145 S146 T153 A154 V234L55-I150 HydrophobicContact CD2-CG2 3.59Å; I58-I150 HydrophobicContact CG2-CD1 4Å; I58-I150 HydrophobicContact CG2-CG2 4.05Å; Q145-I150 HydrophobicContact CB-CD1 4.18Å; Q145-I150 HydrophobicContact CB-CG1 3.64Å; Q145-I150 HydrophobicContact CG-CD1 3.92Å; Q145-I150 HydrophobicContact CG-CG1 3.88Å; S146-I150 VanDerWaalsContact O-CB 3.25Å; S146-I150 WeakPolarHBondContact O-CB 3.44Å; S146-I150 VanDerWaalsContact O-CG1 3.25Å; S146-I150 WeakPolarHBondContact O-CG1 3.46Å; S146-I150 PolarHBondContact O-N 3.17Å; I150-T153 WeakPolarHBondContact O-CB 3.44Å; I150-T153 PolarHBondContact O-N 3.11Å; I150-A154 PolarHBondContact O-N 3.49Å; I150-V234 HydrophobicContact CD1-CB 4.39Å; I150-V234 HydrophobicContact CD1-CG2 3.77Å
151F98.9Very high98.5Very high0 Ų08.2 Ų8.20%05%0.049CC..Hα-helixtrans-62.2-48.6176.6-165.4-88000112.7M47 I51 S105 G106 T109 S147 T153 A154 M155 K384 P385M47-F151 HydrophobicContact CE-CZ 4.32Å; M47-F151 HydrophobicContact SD-CE2 4.5Å; M47-F151 HydrophobicContact SD-CZ 4.18Å; I51-F151 HydrophobicContact CG2-CE2 3.8Å; I51-F151 HydrophobicContact CG2-CZ 4.12Å; S105-F151 VanDerWaalsContact O-CB 3.31Å; S105-F151 WeakPolarHBondContact O-CB 3.33Å; S105-F151 WeakPolarHBondContact O-CG 3.45Å; G106-F151 WeakPolarHBondContact O-CD2 3.39Å; T109-F151 HydrophobicContact CG2-CE2 4.23Å; S147-F151 WeakPolarHBondContact O-CB 3.35Å; S147-F151 PolarHBondContact O-N 3.24Å; F151-T153 VanDerWaalsContact C-N 3.27Å; F151-T153 PolarHBondContact O-N 3.22Å; F151-A154 WeakPolarHBondContact O-CB 3.49Å; F151-A154 PolarHBondContact O-N 3.34Å; F151-A154 VanDerWaalsContact O-N 3.09Å; F151-M155 HydrophobicContact CD1-CG 3.9Å; F151-M155 HydrophobicContact CD1-SD 3.69Å; F151-M155 HydrophobicContact CE1-CG 3.76Å; F151-M155 HydrophobicContact CE1-SD 3.72Å; F151-M155 WeakPolarHBondContact O-CG 3.44Å; F151-M155 PolarHBondContact O-N 3.36Å; F151-K384 HydrophobicContact CD1-CB 3.72Å; F151-K384 HydrophobicContact CD1-CD 4.3Å; F151-K384 HydrophobicContact CE1-CB 3.79Å; F151-P385 HydrophobicContact CE1-CG 4.3Å; F151-P385 HydrophobicContact CZ-CG 4.17Å
152P98.8Very high98.5Very high2 Ų28.9 Ų8.91%0.0135%0.052CC..Hα-helixtrans-64-31.5174.527-36.1000113N148 D149 A154 M155 N156 A233 L290 K384N148-P152 WeakPolarHBondContact O-CD 3.18Å; N148-P152 WeakPolarHBondContact O-CG 3.37Å; D149-P152 WeakPolarHBondContact O-CG 3.16Å; P152-A154 VanDerWaalsContact C-N 3.33Å; P152-A154 PolarHBondContact O-N 3.41Å; P152-M155 HydrophobicContact CB-SD 4.45Å; P152-M155 WeakPolarHBondContact O-CB 3.45Å; P152-M155 PolarHBondContact O-N 2.83Å; P152-N156 PolarHBondContact O-N 2.92Å; P152-N156 PolarHBondContact O-OD1 3.01Å; P152-A233 HydrophobicContact CB-CB 4.24Å; P152-A233 HydrophobicContact CG-CB 3.79Å; P152-L290 HydrophobicContact CG-CD2 4.34Å; P152-K384 HydrophobicContact CB-CD 4.22Å; P152-K384 HydrophobicContact CG-CD 4.37Å
153T98.8Very high98.5Very high0 Ų08.3 Ų8.30%05%0.049CC..Hα-helixtrans-61.1-42.7171.3-63.40000111.5I58 D149 I150 F151 N156 L157 L232 A233 V234I58-T153 HydrophobicContact CD1-CG2 3.66Å; I58-T153 HydrophobicContact CG1-CG2 4.15Å; D149-T153 VanDerWaalsContact O-CB 3.29Å; D149-T153 WeakPolarHBondContact O-CB 3.41Å; D149-T153 PolarHBondContact O-N 3.37Å; D149-T153 PolarHBondContact O-OG1 3.34Å; I150-T153 WeakPolarHBondContact O-CB 3.44Å; I150-T153 PolarHBondContact O-N 3.11Å; F151-T153 VanDerWaalsContact C-N 3.27Å; F151-T153 PolarHBondContact O-N 3.22Å; T153-N156 PolarHBondContact O-N 3.25Å; T153-L157 WeakPolarHBondContact O-CB 3.46Å; T153-L157 PolarHBondContact O-N 3.19Å; T153-L232 HydrophobicContact CG2-CB 4.02Å; T153-L232 HydrophobicContact CG2-CD1 3.88Å; T153-L232 HydrophobicContact CG2-CD2 4.21Å; T153-L232 HydrophobicContact CG2-CG 4.24Å; T153-A233 PolarHBondContact OG1-N 2.89Å; T153-V234 HydrophobicContact CG2-CB 4.18Å; T153-V234 HydrophobicContact CG2-CG1 4.49Å; T153-V234 PolarHBondContact OG1-N 3.11Å
154A98.9Very high98.5Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-67.3-35.7175.800000113L55 I58 I150 F151 P152 S158L55-A154 HydrophobicContact CD2-CB 3.66Å; L55-A154 HydrophobicContact CG-CB 3.68Å; I58-A154 HydrophobicContact CD1-CB 3.74Å; I150-A154 PolarHBondContact O-N 3.49Å; F151-A154 WeakPolarHBondContact O-CB 3.49Å; F151-A154 PolarHBondContact O-N 3.34Å; F151-A154 VanDerWaalsContact O-N 3.09Å; P152-A154 VanDerWaalsContact C-N 3.33Å; P152-A154 PolarHBondContact O-N 3.41Å; A154-S158 WeakPolarHBondContact O-CB 3.26Å; A154-S158 PolarHBondContact O-N 3.35Å; A154-S158 PolarHBondContact O-OG 2.63Å
155M98.9Very high98.5Very high0 Ų07.5 Ų7.50%04%0.04CC..Hα-helixtrans-59-54.4173.1-65168.959.100110.8I51 F151 P152 L157 S158 I159 L296 K384 I387 A388I51-M155 HydrophobicContact CD1-CG 4.2Å; F151-M155 HydrophobicContact CD1-CG 3.9Å; F151-M155 HydrophobicContact CD1-SD 3.69Å; F151-M155 HydrophobicContact CE1-CG 3.76Å; F151-M155 HydrophobicContact CE1-SD 3.72Å; F151-M155 WeakPolarHBondContact O-CG 3.44Å; F151-M155 PolarHBondContact O-N 3.36Å; P152-M155 HydrophobicContact CB-SD 4.45Å; P152-M155 WeakPolarHBondContact O-CB 3.45Å; P152-M155 PolarHBondContact O-N 2.83Å; M155-L157 PolarHBondContact O-N 3.35Å; M155-S158 PolarHBondContact O-N 3.07Å; M155-S158 PolarHBondContact O-OG 3.01Å; M155-I159 HydrophobicContact CB-CD1 4.48Å; M155-I159 WeakPolarHBondContact O-CB 3.29Å; M155-I159 WeakPolarHBondContact O-CD1 3.39Å; M155-I159 WeakPolarHBondContact O-CG1 3.27Å; M155-I159 PolarHBondContact O-N 3.37Å; M155-L296 HydrophobicContact CB-CD1 4.31Å; M155-L296 HydrophobicContact CE-CD1 3.71Å; M155-K384 HydrophobicContact CE-CB 4.31Å; M155-K384 WeakPolarHBondContact CE-O 3.37Å; M155-K384 HydrophobicContact SD-CB 3.57Å; M155-K384 VanDerWaalsContact SD-CB 3.57Å; M155-K384 HydrophobicContact SD-CD 4.29Å; M155-K384 HydrophobicContact SD-CG 4.29Å; M155-I387 HydrophobicContact CE-CB 3.86Å; M155-I387 HydrophobicContact CE-CG2 3.65Å; M155-A388 HydrophobicContact CE-CB 4.25Å; M155-A388 HydrophobicContact CG-CB 3.84Å; M155-A388 HydrophobicContact SD-CB 4.47Å
156N98.8Very high98.5Very high15 Ų159.6 Ų9.68%0.085%0.049CC..Hα-helixtrans-62-44.8-178.7-77.236.8000111.6P152 T153 A160 I229 H231 L232 L296P152-N156 PolarHBondContact O-N 2.92Å; P152-N156 PolarHBondContact O-OD1 3.01Å; T153-N156 PolarHBondContact O-N 3.25Å; N156-A160 WeakPolarHBondContact O-CB 3.44Å; N156-A160 PolarHBondContact O-N 3.41Å; N156-I229 VanDerWaalsContact CB-O 3.31Å; N156-I229 WeakPolarHBondContact CB-O 3.46Å; N156-I229 PolarHBondContact ND2-O 3.03Å; N156-H231 PolarHBondContact ND2-O 3.37Å; N156-L232 HydrophobicContact CB-CD2 3.7Å; N156-L296 WeakPolarHBondContact OD1-CD1 3.46Å
157L98.8Very high98.5Very high0 Ų08.6 Ų8.60%04%0.042CC..Hα-helixtrans-59.3-53.6177.9177.958000111.9I58 T153 M155 A160 M161 L257 T261 F280I58-L157 HydrophobicContact CD1-CD2 4.14Å; I58-L157 HydrophobicContact CG1-CD2 3.92Å; T153-L157 WeakPolarHBondContact O-CB 3.46Å; T153-L157 PolarHBondContact O-N 3.19Å; M155-L157 PolarHBondContact O-N 3.35Å; L157-A160 PolarHBondContact O-N 3.02Å; L157-M161 HydrophobicContact CD1-CE 4.23Å; L157-M161 HydrophobicContact CD1-CG 4.33Å; L157-M161 HydrophobicContact CD1-SD 4.13Å; L157-M161 HydrophobicContact CG-CE 3.93Å; L157-M161 HydrophobicContact CG-SD 4.48Å; L157-M161 WeakPolarHBondContact O-CG 3.44Å; L157-M161 PolarHBondContact O-N 2.92Å; L157-L257 HydrophobicContact CD2-CD1 4.34Å; L157-L257 HydrophobicContact CD2-CD2 3.95Å; L157-T261 HydrophobicContact CD1-CG2 3.81Å; L157-F280 HydrophobicContact CD1-CD2 4.36Å; L157-F280 HydrophobicContact CD1-CE1 3.8Å; L157-F280 HydrophobicContact CD1-CE2 3.58Å; L157-F280 HydrophobicContact CD1-CZ 3.25Å
158S98.8Very high98.5Very high1 Ų17.8 Ų7.81%0.0074%0.037CC..Hα-helixtrans-60.5-48.6-179.754.10000112.1I51 S54 A154 M155 A160 M161 E162I51-S158 VanDerWaalsContact CD1-OG 3.29Å; I51-S158 WeakPolarHBondContact CD1-OG 3.3Å; S54-S158 WeakPolarHBondContact OG-CA 3.35Å; S54-S158 VanDerWaalsContact OG-CB 3.26Å; S54-S158 WeakPolarHBondContact OG-CB 3.46Å; S54-S158 PolarHBondContact OG-N 3.44Å; A154-S158 WeakPolarHBondContact O-CB 3.26Å; A154-S158 PolarHBondContact O-N 3.35Å; A154-S158 PolarHBondContact O-OG 2.63Å; M155-S158 PolarHBondContact O-N 3.07Å; M155-S158 PolarHBondContact O-OG 3.01Å; S158-A160 VanDerWaalsContact C-N 3.34Å; S158-A160 PolarHBondContact O-N 3.45Å; S158-M161 PolarHBondContact O-N 3.25Å; S158-E162 WeakPolarHBondContact O-CB 3.42Å; S158-E162 WeakPolarHBondContact O-CG 3.23Å; S158-E162 PolarHBondContact O-N 2.85Å
159I98.9Very high98.4Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-66.3-38.7-177.6-65.2163.1000110.5M155 T163 L296 L299 L391 L392M155-I159 HydrophobicContact CB-CD1 4.48Å; M155-I159 WeakPolarHBondContact O-CB 3.29Å; M155-I159 WeakPolarHBondContact O-CD1 3.39Å; M155-I159 WeakPolarHBondContact O-CG1 3.27Å; M155-I159 PolarHBondContact O-N 3.37Å; I159-T163 WeakPolarHBondContact O-CB 3.49Å; I159-T163 PolarHBondContact O-N 2.78Å; I159-T163 PolarHBondContact O-OG1 3.05Å; I159-L296 HydrophobicContact CB-CD2 4.35Å; I159-L296 HydrophobicContact CD1-CD1 4.1Å; I159-L296 HydrophobicContact CD1-CD2 3.8Å; I159-L296 HydrophobicContact CG2-CD2 4.16Å; I159-L299 HydrophobicContact CG2-CD2 3.52Å; I159-L391 HydrophobicContact CD1-CB 3.71Å; I159-L391 HydrophobicContact CD1-CD1 3.76Å; I159-L391 HydrophobicContact CD1-CG 4.39Å; I159-L391 HydrophobicContact CG1-CB 4.12Å; I159-L392 HydrophobicContact CG1-CD2 3.93Å; I159-L392 HydrophobicContact CG1-CG 4.07Å
160A98.7Very high98.4Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-62.5-46.5174.700000112.1N156 L157 S158 T163 A164 I229 L278 F280N156-A160 WeakPolarHBondContact O-CB 3.44Å; N156-A160 PolarHBondContact O-N 3.41Å; L157-A160 PolarHBondContact O-N 3.02Å; S158-A160 VanDerWaalsContact C-N 3.34Å; S158-A160 PolarHBondContact O-N 3.45Å; A160-T163 PolarHBondContact O-N 3.11Å; A160-A164 VanDerWaalsContact O-CB 3.25Å; A160-A164 WeakPolarHBondContact O-CB 3.18Å; A160-A164 PolarHBondContact O-N 3.29Å; A160-I229 HydrophobicContact CB-CD1 3.65Å; A160-I229 HydrophobicContact CB-CG1 4.12Å; A160-L278 HydrophobicContact CB-CD1 4.31Å; A160-L278 HydrophobicContact CB-CD2 4.06Å; A160-F280 HydrophobicContact CB-CE1 4.16Å; A160-F280 HydrophobicContact CB-CZ 4.42Å
161M98.2Very high98.4Very high12 Ų127.6 Ų7.66%0.0594%0.037CC..Hα-helixtrans-61.7-50.1176.8-71.2-173.8-56.600111.8S54 M57 L157 S158 T163 A164 W165 T261 L278S54-M161 WeakPolarHBondContact OG-CE 3.47Å; M57-M161 HydrophobicContact CE-CE 4.41Å; M57-M161 HydrophobicContact SD-CE 4.17Å; M57-M161 HydrophobicContact SD-SD 4.26Å; L157-M161 HydrophobicContact CD1-CE 4.23Å; L157-M161 HydrophobicContact CD1-CG 4.33Å; L157-M161 HydrophobicContact CD1-SD 4.13Å; L157-M161 HydrophobicContact CG-CE 3.93Å; L157-M161 HydrophobicContact CG-SD 4.48Å; L157-M161 WeakPolarHBondContact O-CG 3.44Å; L157-M161 PolarHBondContact O-N 2.92Å; S158-M161 PolarHBondContact O-N 3.25Å; M161-T163 VanDerWaalsContact C-N 3.32Å; M161-T163 PolarHBondContact O-N 2.9Å; M161-A164 PolarHBondContact O-N 3.49Å; M161-W165 HydrophobicContact CB-CD2 4.11Å; M161-W165 HydrophobicContact CB-CE3 3.99Å; M161-W165 HydrophobicContact CB-CH2 4.38Å; M161-W165 HydrophobicContact CB-CZ2 4.47Å; M161-W165 HydrophobicContact CB-CZ3 4.14Å; M161-W165 HydrophobicContact CG-CD2 4.44Å; M161-W165 HydrophobicContact CG-CE3 4.37Å; M161-W165 HydrophobicContact CG-CH2 3.86Å; M161-W165 HydrophobicContact CG-CZ2 3.91Å; M161-W165 HydrophobicContact CG-CZ3 4.09Å; M161-W165 WeakPolarHBondContact O-CB 3.49Å; M161-W165 PolarHBondContact O-N 2.67Å; M161-W165 HydrophobicContact SD-CH2 3.53Å; M161-W165 VanDerWaalsContact SD-CH2 3.53Å; M161-W165 HydrophobicContact SD-CZ2 4.14Å; M161-W165 HydrophobicContact SD-CZ3 3.78Å; M161-T261 HydrophobicContact CG-CG2 4.35Å; M161-T261 HydrophobicContact SD-CG2 3.66Å; M161-L278 HydrophobicContact CB-CD1 4.46Å; M161-L278 HydrophobicContact CG-CD1 3.95Å
162E98.3Very high98.4Very high19 Ų199.1 Ų9.19%0.0895%0.045CC..Hα-helixtrans-62.3-40.6179.9-69-65.6139.900111.9Q50 S158 K166 V167 L392 C395Q50-E162 HydrophobicContact CG-CG 3.99Å; Q50-E162 WeakPolarHBondContact CG-OE1 3.34Å; S158-E162 WeakPolarHBondContact O-CB 3.42Å; S158-E162 WeakPolarHBondContact O-CG 3.23Å; S158-E162 PolarHBondContact O-N 2.85Å; E162-K166 WeakPolarHBondContact O-CB 3.29Å; E162-K166 PolarHBondContact O-N 3.5Å; E162-K166 WeakPolarHBondContact OE1-CE 3.27Å; E162-K166 IonicContact OE1-NZ 2.86Å; E162-K166 PolarHBondContact OE1-NZ 3.4Å; E162-K166 WeakPolarHBondContact OE2-CD 3.28Å; E162-K166 VanDerWaalsContact OE2-CE 3.22Å; E162-K166 WeakPolarHBondContact OE2-CE 3.32Å; E162-K166 IonicContact OE2-NZ 3.35Å; E162-K166 PolarHBondContact OE2-NZ 3Å; E162-V167 PolarHBondContact O-N 2.94Å; E162-V167 VanDerWaalsContact O-N 3.1Å; E162-L392 HydrophobicContact CB-CD2 4.39Å; E162-L392 HydrophobicContact CG-CD2 3.84Å; E162-C395 HydrophobicContact CB-CB 3.97Å
163T98.7Very high98.4Very high0 Ų011.7 Ų11.70%06%0.057CC..Iπ-helixtrans-64.6-49.2177.2-57.30000111.3I159 A160 M161 V167 L168 I222 L226 L299 F303I159-T163 WeakPolarHBondContact O-CB 3.49Å; I159-T163 PolarHBondContact O-N 2.78Å; I159-T163 PolarHBondContact O-OG1 3.05Å; A160-T163 PolarHBondContact O-N 3.11Å; M161-T163 VanDerWaalsContact C-N 3.32Å; M161-T163 PolarHBondContact O-N 2.9Å; T163-V167 PolarHBondContact O-N 3.14Å; T163-L168 WeakPolarHBondContact O-CG 3.32Å; T163-L168 PolarHBondContact O-N 3.35Å; T163-I222 HydrophobicContact CG2-CG2 3.4Å; T163-I222 VanDerWaalsContact CG2-CG2 3.4Å; T163-L226 HydrophobicContact CG2-CD2 3.81Å; T163-L226 HydrophobicContact CG2-CG 4.49Å; T163-L299 HydrophobicContact CG2-CD1 4.36Å; T163-F303 HydrophobicContact CG2-CE1 4.24Å; T163-F303 HydrophobicContact CG2-CZ 4.06Å
164A97.7Very high98.4Very high0 Ų011.7 Ų11.70%06%0.057CC..Iπ-helixtrans-71.9-40.1-175.900000113A160 M161 P169 L226 L278A160-A164 VanDerWaalsContact O-CB 3.25Å; A160-A164 WeakPolarHBondContact O-CB 3.18Å; A160-A164 PolarHBondContact O-N 3.29Å; M161-A164 PolarHBondContact O-N 3.49Å; A164-P169 VanDerWaalsContact O-CD 3.3Å; A164-P169 WeakPolarHBondContact O-CD 3.4Å; A164-L226 HydrophobicContact CB-CD1 4.19Å; A164-L278 HydrophobicContact CB-CD1 4.01Å; A164-L278 HydrophobicContact CB-CD2 3.88Å; A164-L278 HydrophobicContact CB-CG 4.02Å
165W97.1Very high98.4Very high21 Ų2111.7 Ų11.78%0.086%0.057CC..Iπ-helixtrans-95.1-20.2-169.5-56-11000113.6M161 P169 T261 L264 Y265 Y269M161-W165 HydrophobicContact CB-CD2 4.11Å; M161-W165 HydrophobicContact CB-CE3 3.99Å; M161-W165 HydrophobicContact CB-CH2 4.38Å; M161-W165 HydrophobicContact CB-CZ2 4.47Å; M161-W165 HydrophobicContact CB-CZ3 4.14Å; M161-W165 HydrophobicContact CG-CD2 4.44Å; M161-W165 HydrophobicContact CG-CE3 4.37Å; M161-W165 HydrophobicContact CG-CH2 3.86Å; M161-W165 HydrophobicContact CG-CZ2 3.91Å; M161-W165 HydrophobicContact CG-CZ3 4.09Å; M161-W165 WeakPolarHBondContact O-CB 3.49Å; M161-W165 PolarHBondContact O-N 2.67Å; M161-W165 HydrophobicContact SD-CH2 3.53Å; M161-W165 VanDerWaalsContact SD-CH2 3.53Å; M161-W165 HydrophobicContact SD-CZ2 4.14Å; M161-W165 HydrophobicContact SD-CZ3 3.78Å; W165-P169 WeakPolarHBondContact O-CG 3.25Å; W165-T261 WeakPolarHBondContact CH2-O 3.38Å; W165-T261 VanDerWaalsContact CZ2-O 3.3Å; W165-T261 WeakPolarHBondContact CZ2-O 3.42Å; W165-L264 HydrophobicContact CH2-CB 4.3Å; W165-Y265 HydrophobicContact CB-CD2 4.25Å; W165-Y265 HydrophobicContact CB-CE2 4.15Å; W165-Y265 AromaticContact CD1-CD2 3.36Å; W165-Y265 AromaticContact CD1-CE2 3.62Å; W165-Y265 AromaticContact CD2-CD2 3.69Å; W165-Y265 HydrophobicContact CD2-CD2 3.69Å; W165-Y265 HydrophobicContact CD2-CE2 4.45Å; W165-Y265 AromaticContact CE2-CD2 3.61Å; W165-Y265 HydrophobicContact CE3-CD2 4.48Å; W165-Y265 AromaticContact CG-CD2 3.54Å; W165-Y265 HydrophobicContact CG-CD2 3.54Å; W165-Y265 AromaticContact CG-CE2 3.84Å; W165-Y265 HydrophobicContact CG-CE2 3.84Å; W165-Y265 HydrophobicContact CZ2-CD2 4.32Å; W165-Y265 AromaticContact NE1-CD2 3.42Å; W165-Y269 HydrophobicContact CB-CE2 3.83Å; W165-Y269 HydrophobicContact CD2-CE2 4.2Å; W165-Y269 AromaticContact CE3-CE2 3.99Å; W165-Y269 HydrophobicContact CE3-CE2 3.99Å; W165-Y269 HydrophobicContact CG-CE2 4.18Å
166K97.5Very high98.4Very high63 Ų6315.7 Ų15.727%0.2748%0.078SC..Iπ-helixtrans-123.7-55.7-177.4-58.1-167-163153.50113E162 P169 S170 T399E162-K166 WeakPolarHBondContact O-CB 3.29Å; E162-K166 PolarHBondContact O-N 3.5Å; E162-K166 WeakPolarHBondContact OE1-CE 3.27Å; E162-K166 IonicContact OE1-NZ 2.86Å; E162-K166 PolarHBondContact OE1-NZ 3.4Å; E162-K166 WeakPolarHBondContact OE2-CD 3.28Å; E162-K166 VanDerWaalsContact OE2-CE 3.22Å; E162-K166 WeakPolarHBondContact OE2-CE 3.32Å; E162-K166 IonicContact OE2-NZ 3.35Å; E162-K166 PolarHBondContact OE2-NZ 3Å; K166-P169 WeakPolarHBondContact O-CD 3.43Å; K166-S170 VanDerWaalsContact O-CB 3.29Å; K166-S170 WeakPolarHBondContact O-CB 3.38Å; K166-S170 PolarHBondContact O-N 2.93Å; K166-S170 PolarHBondContact O-OG 2.62Å; K166-T399 HydrophobicContact CB-CG2 3.79Å; K166-T399 WeakPolarHBondContact CB-OG1 3.21Å
167V98.7Very high98.4Very high0 Ų015.6 Ų15.60%08%0.078CC..Iπ-helixtrans-62.2-53.9-176.2178.60000111E162 T163 S170 L171 F303 C395 L398 T399E162-V167 PolarHBondContact O-N 2.94Å; E162-V167 VanDerWaalsContact O-N 3.1Å; T163-V167 PolarHBondContact O-N 3.14Å; V167-S170 WeakPolarHBondContact CA-OG 3.49Å; V167-S170 PolarHBondContact O-N 3.36Å; V167-S170 PolarHBondContact O-OG 3.49Å; V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 PolarHBondContact O-N 2.93Å; V167-F303 HydrophobicContact CG1-CE1 4.19Å; V167-C395 HydrophobicContact CG2-CB 3.76Å; V167-C395 WeakPolarHBondContact CG2-O 3.34Å; V167-L398 HydrophobicContact CG1-CB 4.18Å; V167-L398 HydrophobicContact CG1-CD1 4.06Å; V167-L398 HydrophobicContact CG2-CB 4.46Å; V167-T399 PolarHBondContact N-OG1 3.26Å
168L98.5Very high98.4Very high0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-61.4-46.9-178.5-73.4177.8000113.1T163 S170 L171 N172 V219 I222 K223 L226 V275 V276T163-L168 WeakPolarHBondContact O-CG 3.32Å; T163-L168 PolarHBondContact O-N 3.35Å; L168-S170 VanDerWaalsContact C-N 3.35Å; L168-S170 PolarHBondContact O-N 2.93Å; L168-L171 PolarHBondContact O-N 3.34Å; L168-N172 WeakPolarHBondContact O-CB 3.17Å; L168-N172 PolarHBondContact O-N 3.45Å; L168-N172 PolarHBondContact O-ND2 3.13Å; L168-V219 HydrophobicContact CD2-CG1 4.05Å; L168-I222 HydrophobicContact CD2-CB 4.14Å; L168-I222 HydrophobicContact CD2-CG2 3.8Å; L168-I222 HydrophobicContact CG-CG2 4.21Å; L168-K223 HydrophobicContact CD1-CG 3.73Å; L168-K223 HydrophobicContact CD2-CG 3.92Å; L168-L226 HydrophobicContact CD1-CD1 3.79Å; L168-V275 HydrophobicContact CB-CG1 4.19Å; L168-V276 HydrophobicContact CD1-CB 4.47Å; L168-V276 HydrophobicContact CD1-CG2 3.68Å
169P97.3Very high98.4Very high27 Ų2718.8 Ų18.818%0.1759%0.092CC..Hα-helixtrans-58.5-40.9172.6-29.837.5000114A164 W165 K166 N172 H173 V275A164-P169 VanDerWaalsContact O-CD 3.3Å; A164-P169 WeakPolarHBondContact O-CD 3.4Å; W165-P169 WeakPolarHBondContact O-CG 3.25Å; K166-P169 WeakPolarHBondContact O-CD 3.43Å; P169-N172 PolarHBondContact O-N 2.96Å; P169-H173 WeakPolarHBondContact O-CB 3.29Å; P169-H173 PolarHBondContact O-N 2.9Å; P169-V275 HydrophobicContact CG-CG2 3.87Å
170S98.2Very high98.4Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-64.9-43.2179.569.30000113K166 V167 L168 H173 L174 T399 T402K166-S170 VanDerWaalsContact O-CB 3.29Å; K166-S170 WeakPolarHBondContact O-CB 3.38Å; K166-S170 PolarHBondContact O-N 2.93Å; K166-S170 PolarHBondContact O-OG 2.62Å; V167-S170 WeakPolarHBondContact CA-OG 3.49Å; V167-S170 PolarHBondContact O-N 3.36Å; V167-S170 PolarHBondContact O-OG 3.49Å; L168-S170 VanDerWaalsContact C-N 3.35Å; L168-S170 PolarHBondContact O-N 2.93Å; S170-H173 WeakPolarHBondContact O-CB 3.47Å; S170-H173 PolarHBondContact O-N 3.37Å; S170-L174 PolarHBondContact O-N 3.03Å; S170-L174 VanDerWaalsContact O-N 3.08Å; S170-T399 WeakPolarHBondContact CB-O 3.31Å; S170-T399 WeakPolarHBondContact OG-CA 3.15Å; S170-T402 VanDerWaalsContact CB-OG1 3.27Å; S170-T402 WeakPolarHBondContact CB-OG1 3.47Å; S170-T402 PolarHBondContact OG-OG1 3.4Å; S170-T402 VanDerWaalsContact OG-OG1 3.13Å
171L98.8Very high98.4Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-64.7-44.3175.1-75.3168.7000111.2V167 L168 H173 L174 I175 V219 I222 T306 T402V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 PolarHBondContact O-N 2.93Å; L168-L171 PolarHBondContact O-N 3.34Å; L171-H173 VanDerWaalsContact C-N 3.27Å; L171-H173 PolarHBondContact O-N 2.87Å; L171-L174 PolarHBondContact O-N 2.91Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3.13Å; L171-V219 HydrophobicContact CB-CG2 3.7Å; L171-V219 HydrophobicContact CD1-CG2 4.07Å; L171-V219 HydrophobicContact CG-CG2 4.49Å; L171-I222 HydrophobicContact CD1-CD1 3.79Å; L171-T306 HydrophobicContact CD1-CG2 4.22Å; L171-T306 HydrophobicContact CD2-CG2 3.9Å; L171-T402 HydrophobicContact CD2-CG2 3.81Å
172N98.3Very high98.4Very high31 Ų3125.1 Ų25.117%0.16612%0.124CC..Hα-helixtrans-61.6-37.2176-75.2-40.2000111.9L168 P169 I175 N176L168-N172 WeakPolarHBondContact O-CB 3.17Å; L168-N172 PolarHBondContact O-N 3.45Å; L168-N172 PolarHBondContact O-ND2 3.13Å; P169-N172 PolarHBondContact O-N 2.96Å; N172-I175 PolarHBondContact O-N 3.47Å; N172-N176 WeakPolarHBondContact O-CB 3.42Å; N172-N176 PolarHBondContact O-N 3.24Å; N172-N176 PolarHBondContact O-ND2 3.29Å
173H98.3Very high98.4Very high56 Ų5630.3 Ų30.326%0.25915%0.148SC..Hα-helixtrans-60.9-49.9174.4-17963.4000111.6P169 S170 L171 I175 N176 V177 D407P169-H173 WeakPolarHBondContact O-CB 3.29Å; P169-H173 PolarHBondContact O-N 2.9Å; S170-H173 WeakPolarHBondContact O-CB 3.47Å; S170-H173 PolarHBondContact O-N 3.37Å; L171-H173 VanDerWaalsContact C-N 3.27Å; L171-H173 PolarHBondContact O-N 2.87Å; H173-I175 PolarHBondContact O-N 2.98Å; H173-N176 PolarHBondContact O-N 3.24Å; H173-V177 WeakPolarHBondContact O-CG2 3.34Å; H173-V177 PolarHBondContact O-N 3.39Å; H173-D407 IonicContact CD2-OD1 3.4Å; H173-D407 IonicContact CE1-OD1 3.54Å; H173-D407 IonicContact NE2-OD1 3.59Å; H173-D407 PolarHBondContact NE2-OD1 2.98Å
174L98.9Very high98.4Very high0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-58.2-45.7174.7174.859.6000112.2S170 L171 N176 V177 L178 L215 L310 L313 T402 F405 A406 V410S170-L174 PolarHBondContact O-N 3.03Å; S170-L174 VanDerWaalsContact O-N 3.08Å; L171-L174 PolarHBondContact O-N 2.91Å; L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 3.13Å; L174-V177 PolarHBondContact O-N 2.97Å; L174-L178 HydrophobicContact CD1-CD1 4.09Å; L174-L178 HydrophobicContact CD1-CG 4.23Å; L174-L178 HydrophobicContact CG-CD1 4.05Å; L174-L178 WeakPolarHBondContact O-CB 3.26Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 2.66Å; L174-L215 HydrophobicContact CD2-CD1 3.97Å; L174-L215 HydrophobicContact CG-CD1 4.2Å; L174-L310 HydrophobicContact CD2-CD2 3.66Å; L174-L313 HydrophobicContact CD2-CD2 4.28Å; L174-T402 HydrophobicContact CD2-CG2 4.22Å; L174-F405 HydrophobicContact CD1-CD1 3.97Å; L174-A406 HydrophobicContact CB-CB 4.13Å; L174-A406 HydrophobicContact CD1-CB 3.83Å; L174-V410 HydrophobicContact CD1-CG2 3.87Å
175I98.9Very high98.5Very high0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-58.4-43.9177-71.2165.2000110.9L171 N172 H173 L178 K179 V212 L215 V219L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3.13Å; N172-I175 PolarHBondContact O-N 3.47Å; H173-I175 PolarHBondContact O-N 2.98Å; I175-L178 PolarHBondContact O-N 3.17Å; I175-K179 HydrophobicContact CG2-CD 4.08Å; I175-K179 HydrophobicContact CG2-CG 4.44Å; I175-K179 WeakPolarHBondContact O-CB 3.47Å; I175-K179 WeakPolarHBondContact O-CG 3.46Å; I175-K179 PolarHBondContact O-N 3.06Å; I175-V212 HydrophobicContact CG2-CG1 4.28Å; I175-L215 HydrophobicContact CD1-CB 3.84Å; I175-L215 HydrophobicContact CG1-CB 3.62Å; I175-L215 HydrophobicContact CG1-CD1 4.25Å; I175-V219 HydrophobicContact CD1-CG2 3.76Å
176N98.8Very high98.5Very high85 Ų8536.1 Ų36.146%0.45518%0.177SC..Hα-helixtrans-66.5-42.2-179.2-71.6-21.2000111.8N172 H173 L174 K179 I180N172-N176 WeakPolarHBondContact O-CB 3.42Å; N172-N176 PolarHBondContact O-N 3.24Å; N172-N176 PolarHBondContact O-ND2 3.29Å; H173-N176 PolarHBondContact O-N 3.24Å; L174-N176 VanDerWaalsContact C-N 3.31Å; L174-N176 PolarHBondContact O-N 3.13Å; N176-K179 PolarHBondContact O-N 3.34Å; N176-I180 WeakPolarHBondContact O-CG1 3.35Å; N176-I180 PolarHBondContact O-N 3.28Å; N176-I180 VanDerWaalsContact O-N 3.07Å
177V98.8Very high98.5Very high13 Ų1339 Ų398%0.07920%0.195CC..Hα-helixtrans-64.5-41.1175.6179.60000110.9H173 L174 I180 K181 A406 V410 R411H173-V177 WeakPolarHBondContact O-CG2 3.34Å; H173-V177 PolarHBondContact O-N 3.39Å; L174-V177 PolarHBondContact O-N 2.97Å; V177-I180 PolarHBondContact O-N 3.47Å; V177-K181 PolarHBondContact O-N 3.28Å; V177-A406 HydrophobicContact CB-CB 4.44Å; V177-A406 HydrophobicContact CG2-CB 4.28Å; V177-V410 HydrophobicContact CG1-CB 3.91Å; V177-V410 HydrophobicContact CG1-CG1 3.79Å; V177-R411 HydrophobicContact CG1-CB 3.95Å
178L98.8Very high98.5Very high0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-61.9-41.5172.7-78.2167.2000112.3L174 I175 I180 K181 M182 L208 V212 L215 L313 F317 V410L174-L178 HydrophobicContact CD1-CD1 4.09Å; L174-L178 HydrophobicContact CD1-CG 4.23Å; L174-L178 HydrophobicContact CG-CD1 4.05Å; L174-L178 WeakPolarHBondContact O-CB 3.26Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 2.66Å; I175-L178 PolarHBondContact O-N 3.17Å; L178-I180 VanDerWaalsContact C-N 3.33Å; L178-I180 PolarHBondContact O-N 2.99Å; L178-K181 PolarHBondContact O-N 3.08Å; L178-M182 VanDerWaalsContact O-CB 3.23Å; L178-M182 WeakPolarHBondContact O-CB 3.41Å; L178-M182 PolarHBondContact O-N 2.9Å; L178-L208 HydrophobicContact CD2-CD2 4.32Å; L178-V212 HydrophobicContact CB-CG2 3.68Å; L178-L215 HydrophobicContact CD1-CD1 3.66Å; L178-L313 HydrophobicContact CD1-CD2 4.18Å; L178-L313 HydrophobicContact CD2-CD1 4.2Å; L178-F317 HydrophobicContact CD2-CZ 4.12Å; L178-V410 HydrophobicContact CD2-CG1 3.56Å; L178-V410 HydrophobicContact CD2-CG2 4.29Å; L178-V410 HydrophobicContact CG-CG1 3.89Å
179K98.8Very high98.4Very high67 Ų6740.4 Ų40.429%0.29120%0.202SC..Hα-helixtrans-61.3-39.9177.2-79.2174.3-179.81710112.1I175 N176 M182 H183 V212I175-K179 HydrophobicContact CG2-CD 4.08Å; I175-K179 HydrophobicContact CG2-CG 4.44Å; I175-K179 WeakPolarHBondContact O-CB 3.47Å; I175-K179 WeakPolarHBondContact O-CG 3.46Å; I175-K179 PolarHBondContact O-N 3.06Å; N176-K179 PolarHBondContact O-N 3.34Å; K179-M182 HydrophobicContact CG-CE 4.34Å; K179-M182 WeakPolarHBondContact O-CB 3.1Å; K179-M182 PolarHBondContact O-N 3.39Å; K179-H183 PolarHBondContact O-CD2 3.38Å; K179-H183 PolarHBondContact O-N 3.42Å; K179-V212 HydrophobicContact CD-CG1 4.33Å; K179-V212 HydrophobicContact CG-CG1 3.8Å; K179-V212 HydrophobicContact CG-CG2 4.04Å
180I98.8Very high98.5Very high112 Ų11239.1 Ų39.157%0.57419%0.194SC*.Hα-helixtrans-58.9-50.9175.2-67.7164.9000109.9N176 V177 L178 M182 H183 E184N176-I180 WeakPolarHBondContact O-CG1 3.35Å; N176-I180 PolarHBondContact O-N 3.28Å; N176-I180 VanDerWaalsContact O-N 3.07Å; V177-I180 PolarHBondContact O-N 3.47Å; L178-I180 VanDerWaalsContact C-N 3.33Å; L178-I180 PolarHBondContact O-N 2.99Å; I180-M182 PolarHBondContact O-N 2.65Å; I180-H183 PolarHBondContact O-N 3.18Å; I180-E184 WeakPolarHBondContact O-CB 3.23Å; I180-E184 PolarHBondContact O-N 3.26Å
181K98.7Very high98.5Very high12 Ų1239.2 Ų39.25%0.05220%0.195CC..Hα-helixtrans-65.4-37.5178.4-69.1-68.8170.5-169.80113.3V177 L178 H183 E184 F185 L208 V410 R411 L413V177-K181 PolarHBondContact O-N 3.28Å; L178-K181 PolarHBondContact O-N 3.08Å; K181-H183 VanDerWaalsContact C-N 3.33Å; K181-H183 PolarHBondContact O-N 3.44Å; K181-E184 WeakPolarHBondContact CD-OE2 3.47Å; K181-E184 IonicContact NZ-OE1 3.54Å; K181-E184 IonicContact NZ-OE2 2.78Å; K181-E184 PolarHBondContact NZ-OE2 2.97Å; K181-E184 PolarHBondContact O-N 3.01Å; K181-F185 HydrophobicContact CB-CD2 4.29Å; K181-F185 HydrophobicContact CB-CE2 4.11Å; K181-F185 HydrophobicContact CD-CE2 3.65Å; K181-F185 HydrophobicContact CD-CZ 3.71Å; K181-F185 HydrophobicContact CG-CE2 4.42Å; K181-F185 WeakPolarHBondContact O-CB 3.21Å; K181-F185 WeakPolarHBondContact O-CD2 3.32Å; K181-F185 VanDerWaalsContact O-CG 3.31Å; K181-F185 WeakPolarHBondContact O-CG 3.39Å; K181-F185 PolarHBondContact O-N 3.21Å; K181-L208 HydrophobicContact CB-CD1 3.79Å; K181-V410 WeakPolarHBondContact CE-O 3.33Å; K181-V410 HydrophobicContact CG-CG1 4.35Å; K181-V410 WeakPolarHBondContact CG-O 3.45Å; K181-R411 WeakPolarHBondContact CE-O 3.41Å; K181-R411 PolarHBondContact NZ-O 2.86Å; K181-L413 HydrophobicContact CD-CB 4.24Å; K181-L413 WeakPolarHBondContact CE-O 3.02Å; K181-L413 PolarHBondContact NZ-O 3.21Å
182M98.6Very high98.5Very high22 Ų2239.5 Ų39.511%0.10820%0.198CC..Hα-helixtrans-56.3-47.2174.1-180-165.972.600111.1L178 K179 I180 M186 G205 L208 S209 V212L178-M182 VanDerWaalsContact O-CB 3.23Å; L178-M182 WeakPolarHBondContact O-CB 3.41Å; L178-M182 PolarHBondContact O-N 2.9Å; K179-M182 HydrophobicContact CG-CE 4.34Å; K179-M182 WeakPolarHBondContact O-CB 3.1Å; K179-M182 PolarHBondContact O-N 3.39Å; I180-M182 PolarHBondContact O-N 2.65Å; M182-M186 HydrophobicContact CG-CE 4.19Å; M182-M186 PolarHBondContact O-N 2.91Å; M182-G205 VanDerWaalsContact CG-O 3.26Å; M182-G205 WeakPolarHBondContact CG-O 3.26Å; M182-G205 VanDerWaalsContact O-CA 3.27Å; M182-G205 WeakPolarHBondContact O-CA 3.42Å; M182-L208 HydrophobicContact CB-CB 3.9Å; M182-L208 HydrophobicContact CG-CB 4.2Å; M182-S209 VanDerWaalsContact SD-CA 3.57Å; M182-S209 VanDerWaalsContact SD-CB 3.53Å; M182-V212 HydrophobicContact SD-CG2 4.3Å
183H98.7Very high98.5Very high127 Ų12741 Ų4159%0.58820%0.201SC*.Hα-helixtrans-70-42.8176.9-69.1-55.5000112.3K179 I180 K181 F185 M186K179-H183 PolarHBondContact O-CD2 3.38Å; K179-H183 PolarHBondContact O-N 3.42Å; I180-H183 PolarHBondContact O-N 3.18Å; K181-H183 VanDerWaalsContact C-N 3.33Å; K181-H183 PolarHBondContact O-N 3.44Å; H183-F185 PolarHBondContact O-N 3.42Å; H183-M186 PolarHBondContact O-N 3.45Å
184E98.6Very high98.5Very high92 Ų9242.5 Ų42.543%0.4321%0.214SC..Hα-helixtrans-56.1-37.7176.6-168.9-173.715400112I180 K181I180-E184 WeakPolarHBondContact O-CB 3.23Å; I180-E184 PolarHBondContact O-N 3.26Å; K181-E184 WeakPolarHBondContact CD-OE2 3.47Å; K181-E184 IonicContact NZ-OE1 3.54Å; K181-E184 IonicContact NZ-OE2 2.78Å; K181-E184 PolarHBondContact NZ-OE2 2.97Å; K181-E184 PolarHBondContact O-N 3.01Å
185F98.5Very high98.5Very high1 Ų150.9 Ų50.90%0.00425%0.253CS..THydrogen-bonded Turntrans-103.911-173.4-54.4-30.4000114.8K181 H183 N187 V188 V204 G205 L208 L413 L415K181-F185 HydrophobicContact CB-CD2 4.29Å; K181-F185 HydrophobicContact CB-CE2 4.11Å; K181-F185 HydrophobicContact CD-CE2 3.65Å; K181-F185 HydrophobicContact CD-CZ 3.71Å; K181-F185 HydrophobicContact CG-CE2 4.42Å; K181-F185 WeakPolarHBondContact O-CB 3.21Å; K181-F185 WeakPolarHBondContact O-CD2 3.32Å; K181-F185 VanDerWaalsContact O-CG 3.31Å; K181-F185 WeakPolarHBondContact O-CG 3.39Å; K181-F185 PolarHBondContact O-N 3.21Å; H183-F185 PolarHBondContact O-N 3.42Å; F185-N187 PolarHBondContact O-N 3.38Å; F185-V188 HydrophobicContact CB-CG2 4.48Å; F185-V188 PolarHBondContact O-N 2.97Å; F185-V188 VanDerWaalsContact O-N 3.11Å; F185-V204 HydrophobicContact CB-CB 3.87Å; F185-V204 HydrophobicContact CB-CG1 3.71Å; F185-V204 HydrophobicContact CD2-CG1 3.89Å; F185-V204 HydrophobicContact CG-CG1 4.16Å; F185-G205 PolarHBondContact O-N 3.48Å; F185-L208 HydrophobicContact CD2-CD1 3.83Å; F185-L413 HydrophobicContact CE2-CD2 3.91Å; F185-L413 HydrophobicContact CE2-CG 4.03Å; F185-L413 WeakPolarHBondContact CZ-O 3.45Å; F185-L415 HydrophobicContact CB-CD1 4.05Å; F185-L415 HydrophobicContact CD1-CD1 3.6Å; F185-L415 HydrophobicContact CD1-CG 4.14Å; F185-L415 HydrophobicContact CD2-CD1 3.93Å; F185-L415 HydrophobicContact CD2-CD2 4.17Å; F185-L415 HydrophobicContact CD2-CG 4.12Å; F185-L415 HydrophobicContact CE1-CD1 3.96Å; F185-L415 HydrophobicContact CE1-CG 3.99Å; F185-L415 HydrophobicContact CE2-CD1 4.25Å; F185-L415 HydrophobicContact CE2-CD2 4.05Å; F185-L415 HydrophobicContact CE2-CG 3.96Å; F185-L415 HydrophobicContact CG-CD1 3.6Å; F185-L415 HydrophobicContact CG-CG 4.22Å; F185-L415 HydrophobicContact CZ-CD1 4.27Å; F185-L415 HydrophobicContact CZ-CD2 4.44Å; F185-L415 HydrophobicContact CZ-CG 3.9Å
186M98Very high98.3Very high51 Ų5156.8 Ų56.825%0.25128%0.282SS..THydrogen-bonded Turntrans-60.8-29.4-177.3-170.156.467.600113.9M182 H183 S203 Q206M182-M186 HydrophobicContact CG-CE 4.19Å; M182-M186 PolarHBondContact O-N 2.91Å; H183-M186 PolarHBondContact O-N 3.45Å; M186-S203 WeakPolarHBondContact O-CB 3.39Å; M186-S203 PolarHBondContact O-OG 2.86Å; M186-S203 PolarHBondContact SD-OG 3.3Å; M186-Q206 HydrophobicContact SD-CG 4.3Å
187N97Very high98.3Very high122 Ų12258.9 Ų58.965%0.65229%0.289SS*.THydrogen-bonded Turntrans-99.39.8-179.1-62-27.7000113.3F185 M479F185-N187 PolarHBondContact O-N 3.38Å; N187-M479 HydrophobicContact CB-CE 4.3Å
188V98.3Very high98.2Very high12 Ų1262.4 Ų62.47%0.07331%0.308CS..  trans-96.6104.5177.1-172.70000108.8F185 S203 V204 L415 I420F185-V188 HydrophobicContact CB-CG2 4.48Å; F185-V188 PolarHBondContact O-N 2.97Å; F185-V188 VanDerWaalsContact O-N 3.11Å; V188-S203 CarbonylContact O-C 3.2Å; V188-S203 VanDerWaalsContact O-CA 3.25Å; V188-S203 WeakPolarHBondContact O-CA 3.46Å; V188-V204 HydrophobicContact CB-CB 4.4Å; V188-V204 HydrophobicContact CB-CG2 4.15Å; V188-V204 HydrophobicContact CG1-CG2 4.07Å; V188-V204 PolarHBondContact O-N 3Å; V188-L415 HydrophobicContact CB-CD1 4.03Å; V188-L415 HydrophobicContact CG1-CD1 3.83Å; V188-L415 HydrophobicContact CG2-CD1 3.99Å; V188-I420 HydrophobicContact CG1-CD1 4.28Å; V188-I420 HydrophobicContact CG1-CG2 4.25Å
189I98.3Very high98.2Very high18 Ų1863 Ų639%0.09231%0.313CS..EExtended strand (participates in β ladder)trans-80.4130.3-180-55.3-51.4000109.9P201 M202 I420 V424 P478 M479 A482I189-P201 HydrophobicContact CG2-CB 3.7Å; I189-M202 WeakPolarHBondContact CA-O 3.41Å; I189-I420 WeakPolarHBondContact O-CG2 3.44Å; I189-V424 HydrophobicContact CG2-CG2 4.3Å; I189-V424 WeakPolarHBondContact O-CG2 3.42Å; I189-P478 HydrophobicContact CG2-CB 3.93Å; I189-M479 HydrophobicContact CD1-SD 3.55Å; I189-M479 VanDerWaalsContact CD1-SD 3.55Å; I189-M479 HydrophobicContact CG1-CB 4.32Å; I189-M479 HydrophobicContact CG1-SD 3.67Å; I189-A482 HydrophobicContact CD1-CB 3.63Å
190K98.6Very high98.1Very high1 Ų163.3 Ų63.30%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-124.4169.5174.466.4173.2-63.7173.40109.9P201 M202 V204 E207 L320 E330 I420K190-P201 WeakPolarHBondContact O-CA 3.49Å; K190-M202 HydrophobicContact CD-CG 4.43Å; K190-M202 HydrophobicContact CG-CG 3.97Å; K190-M202 WeakPolarHBondContact CG-O 3.4Å; K190-M202 PolarHBondContact N-O 2.9Å; K190-M202 PolarHBondContact O-N 3.12Å; K190-V204 HydrophobicContact CB-CG2 4.17Å; K190-V204 HydrophobicContact CD-CG2 3.85Å; K190-V204 HydrophobicContact CG-CG2 4.11Å; K190-E207 IonicContact NZ-OE1 2.79Å; K190-E207 PolarHBondContact NZ-OE1 2.98Å; K190-E207 IonicContact NZ-OE2 2.91Å; K190-E207 PolarHBondContact NZ-OE2 3.2Å; K190-L320 VanDerWaalsContact NZ-CD2 3.34Å; K190-E330 WeakPolarHBondContact CE-OE2 3.33Å; K190-E330 IonicContact NZ-OE2 3.37Å; K190-E330 PolarHBondContact NZ-OE2 3.37Å; K190-I420 HydrophobicContact CB-CG2 3.92Å
191I98.4Very high98Very high1 Ų158.2 Ų58.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-82.4128.8168.6-140.653.6000110.4R193 A199 P201 S427I191-R193 HydrophobicContact CG2-CG 4.48Å; I191-A199 WeakPolarHBondContact CD1-O 3.42Å; I191-A199 VanDerWaalsContact CG1-O 3.26Å; I191-A199 WeakPolarHBondContact CG1-O 3.36Å; I191-P201 HydrophobicContact CD1-CG 4.07Å; I191-S427 WeakPolarHBondContact CD1-OG 3.47Å
192G98.4Very high98Very high7 Ų760 Ų607%0.07230%0.304CS..EExtended strand (participates in β ladder)trans-67.2155.6168.700000110.1A199 V200G192-A199 WeakPolarHBondContact O-CB 3.32Å; G192-A199 PolarHBondContact O-N 2.81Å; G192-V200 WeakPolarHBondContact CA-O 3.04Å; G192-V200 PolarHBondContact N-O 3.22Å
193R98.7Very high98Very high63 Ų6359 Ų5924%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-130.4123.3173-66.4-178.1-177.482.8-0.8110.6I191 Q197 E330I191-R193 HydrophobicContact CG2-CG 4.48Å; R193-Q197 VanDerWaalsContact CA-O 3.23Å; R193-Q197 WeakPolarHBondContact CA-O 3.17Å; R193-E330 IonicContact CZ-OE1 3.82Å; R193-E330 VanDerWaalsContact CZ-OE1 3.25Å; R193-E330 IonicContact NH1-OE1 3.31Å; R193-E330 PolarHBondContact NH1-OE1 3.05Å; R193-E330 IonicContact NH1-OE2 2.72Å; R193-E330 IonicContact NH2-OE1 2.81Å; R193-E330 PolarHBondContact NH2-OE1 3.28Å
194T98.3Very high98Very high86 Ų8653 Ų5353%0.52827%0.271SS..EExtended strand (participates in β ladder)trans-121.1136.9171.461.80000107.8M196 Q197 A199T194-M196 PolarHBondContact O-N 3.16Å; T194-M196 VanDerWaalsContact O-N 3.1Å; T194-Q197 PolarHBondContact N-O 2.91Å; T194-Q197 PolarHBondContact O-N 2.9Å; T194-A199 HydrophobicContact CG2-CB 4.27Å
195H97.8Very high98Very high176 Ų17648.6 Ų48.682%0.81525%0.25SS*.THydrogen-bonded Turntrans53.929.7-172-52.9-95.6000113.7Q197H195-Q197 PolarHBondContact O-N 2.87Å; H195-Q197 VanDerWaalsContact O-N 3.17Å; H195-Q197 PolarHBondContact O-NE2 2.97Å
196M96.5Very high98Very high125 Ų12551 Ų5162%0.61626%0.261SS*.THydrogen-bonded Turntrans60.315.4-174.3-59-67.4-64.100114.9T194 L319T194-M196 PolarHBondContact O-N 3.16Å; T194-M196 VanDerWaalsContact O-N 3.1Å; M196-L319 HydrophobicContact CE-CD1 4.33Å; M196-L319 HydrophobicContact CE-CD2 3.71Å; M196-L319 HydrophobicContact SD-CD2 4.14Å
197Q97.7Very high98Very high128 Ų12849.9 Ų49.960%0.59826%0.255SS*.EExtended strand (participates in β ladder)trans-103.7156174-54.1-52.2-58.300110.4R193 T194 H195 A199R193-Q197 VanDerWaalsContact CA-O 3.23Å; R193-Q197 WeakPolarHBondContact CA-O 3.17Å; T194-Q197 PolarHBondContact N-O 2.91Å; T194-Q197 PolarHBondContact O-N 2.9Å; H195-Q197 PolarHBondContact O-N 2.87Å; H195-Q197 VanDerWaalsContact O-N 3.17Å; H195-Q197 PolarHBondContact O-NE2 2.97Å; Q197-A199 PolarHBondContact O-N 2.94Å
198D97.6Very high98.1Very high87 Ų8744 Ų4447%0.46522%0.224SC..EExtended strand (participates in β ladder)trans-57.7133.3173.4-61.7-17.4000110.1M429D198-M429 HydrophobicContact CB-CG 4.13Å; D198-M429 WeakPolarHBondContact O-CG 3.42Å
199A97.8Very high98.2Very high14 Ų1445.7 Ų45.712%0.11624%0.237CC..EExtended strand (participates in β ladder)trans-126.7-162.7177.900000110.6I191 G192 T194 Q197 M429I191-A199 WeakPolarHBondContact CD1-O 3.42Å; I191-A199 VanDerWaalsContact CG1-O 3.26Å; I191-A199 WeakPolarHBondContact CG1-O 3.36Å; G192-A199 WeakPolarHBondContact O-CB 3.32Å; G192-A199 PolarHBondContact O-N 2.81Å; T194-A199 HydrophobicContact CG2-CB 4.27Å; Q197-A199 PolarHBondContact O-N 2.94Å; A199-M429 WeakPolarHBondContact O-CB 3.26Å; A199-M429 WeakPolarHBondContact O-CG 3.46Å
200V97.1Very high98.2Very high73 Ų7346.1 Ų46.144%0.44225%0.245SC..EExtended strand (participates in β ladder)trans-69.4158.7177.9-64.10000112.3G192 T432G192-V200 WeakPolarHBondContact CA-O 3.04Å; G192-V200 PolarHBondContact N-O 3.22Å; V200-T432 HydrophobicContact CG1-CG2 4.29Å
201P97.6Very high98.2Very high5 Ų546.2 Ų46.23%0.03225%0.246CC..EExtended strand (participates in β ladder)trans-63.3151.3176.4-21.934000113.5I189 K190 I191 L430 P478 M481I189-P201 HydrophobicContact CG2-CB 3.7Å; K190-P201 WeakPolarHBondContact O-CA 3.49Å; I191-P201 HydrophobicContact CD1-CG 4.07Å; P201-L430 HydrophobicContact CG-CD2 3.32Å; P201-P478 HydrophobicContact CG-CB 4.44Å; P201-M481 HydrophobicContact CG-CB 4.22Å; P201-M481 HydrophobicContact CG-CE 4.28Å; P201-M481 HydrophobicContact CG-SD 4.42Å
202M98.3Very high98.2Very high50 Ų5046.8 Ų46.825%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-148.6166.4168.264.8-179.3-61.400108.9I189 K190 Q206 E207I189-M202 WeakPolarHBondContact CA-O 3.41Å; K190-M202 HydrophobicContact CD-CG 4.43Å; K190-M202 HydrophobicContact CG-CG 3.97Å; K190-M202 WeakPolarHBondContact CG-O 3.4Å; K190-M202 PolarHBondContact N-O 2.9Å; K190-M202 PolarHBondContact O-N 3.12Å; M202-Q206 HydrophobicContact CE-CB 3.93Å; M202-E207 HydrophobicContact CE-CB 3.7Å; M202-E207 VanDerWaalsContact CE-N 3.35Å
203S98.3Very high98.2Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-85.5150.8170.483.70000112.7M186 V188 G205 Q206 E207M186-S203 WeakPolarHBondContact O-CB 3.39Å; M186-S203 PolarHBondContact O-OG 2.86Å; M186-S203 PolarHBondContact SD-OG 3.3Å; V188-S203 CarbonylContact O-C 3.2Å; V188-S203 VanDerWaalsContact O-CA 3.25Å; V188-S203 WeakPolarHBondContact O-CA 3.46Å; S203-G205 PolarHBondContact O-N 3.18Å; S203-G205 PolarHBondContact OG-N 3.02Å; S203-Q206 WeakPolarHBondContact O-CB 3.37Å; S203-Q206 PolarHBondContact O-N 2.74Å; S203-Q206 VanDerWaalsContact O-N 3.1Å; S203-Q206 WeakPolarHBondContact OG-CG 3.27Å; S203-Q206 PolarHBondContact OG-N 3.04Å; S203-E207 PolarHBondContact O-N 2.82Å; S203-E207 VanDerWaalsContact O-N 3.08Å
204V98.7Very high98.2Very high0 Ų049.5 Ų49.50%027%0.269CS..Hα-helixtrans-59.3-36170.4175.90000110.2F185 V188 K190 Q206 E207 L208 F331 L415 I420F185-V204 HydrophobicContact CB-CB 3.87Å; F185-V204 HydrophobicContact CB-CG1 3.71Å; F185-V204 HydrophobicContact CD2-CG1 3.89Å; F185-V204 HydrophobicContact CG-CG1 4.16Å; V188-V204 HydrophobicContact CB-CB 4.4Å; V188-V204 HydrophobicContact CB-CG2 4.15Å; V188-V204 HydrophobicContact CG1-CG2 4.07Å; V188-V204 PolarHBondContact O-N 3Å; K190-V204 HydrophobicContact CB-CG2 4.17Å; K190-V204 HydrophobicContact CD-CG2 3.85Å; K190-V204 HydrophobicContact CG-CG2 4.11Å; V204-Q206 PolarHBondContact O-N 3.32Å; V204-E207 WeakPolarHBondContact O-CB 3.19Å; V204-E207 PolarHBondContact O-N 2.93Å; V204-L208 HydrophobicContact CG1-CD1 4.43Å; V204-L208 HydrophobicContact CG1-CG 4.48Å; V204-L208 WeakPolarHBondContact O-CG 3.42Å; V204-L208 PolarHBondContact O-N 3.46Å; V204-F331 HydrophobicContact CG1-CE1 3.96Å; V204-F331 HydrophobicContact CG1-CZ 4.2Å; V204-L415 HydrophobicContact CB-CD1 4.29Å; V204-L415 HydrophobicContact CG1-CD1 4.09Å; V204-L415 HydrophobicContact CG1-CD2 4.04Å; V204-L415 HydrophobicContact CG2-CD1 4.05Å; V204-I420 HydrophobicContact CG2-CD1 4.38Å
205G98.6Very high98.3Very high0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-62.2-40172.900000113.1M182 F185 S203 E207 L208 S209M182-G205 VanDerWaalsContact CG-O 3.26Å; M182-G205 WeakPolarHBondContact CG-O 3.26Å; M182-G205 VanDerWaalsContact O-CA 3.27Å; M182-G205 WeakPolarHBondContact O-CA 3.42Å; F185-G205 PolarHBondContact O-N 3.48Å; S203-G205 PolarHBondContact O-N 3.18Å; S203-G205 PolarHBondContact OG-N 3.02Å; G205-E207 VanDerWaalsContact C-N 3.34Å; G205-E207 PolarHBondContact O-N 3.5Å; G205-L208 PolarHBondContact O-N 3.05Å; G205-S209 WeakPolarHBondContact O-CB 3.47Å; G205-S209 PolarHBondContact O-N 3.1Å
206Q98.6Very high98.3Very high52 Ų5239.6 Ų39.624%0.24322%0.217CC..Hα-helixtrans-62.6-41.3173.2-74.9169.4-34.700111.5M186 M202 S203 V204 L208 S209 G210 A482M186-Q206 HydrophobicContact SD-CG 4.3Å; M202-Q206 HydrophobicContact CE-CB 3.93Å; S203-Q206 WeakPolarHBondContact O-CB 3.37Å; S203-Q206 PolarHBondContact O-N 2.74Å; S203-Q206 VanDerWaalsContact O-N 3.1Å; S203-Q206 WeakPolarHBondContact OG-CG 3.27Å; S203-Q206 PolarHBondContact OG-N 3.04Å; V204-Q206 PolarHBondContact O-N 3.32Å; Q206-L208 PolarHBondContact O-N 3.43Å; Q206-S209 WeakPolarHBondContact O-CB 3.22Å; Q206-S209 PolarHBondContact O-N 3.41Å; Q206-S209 PolarHBondContact O-OG 3.36Å; Q206-G210 PolarHBondContact O-N 3.34Å; Q206-A482 PolarHBondContact NE2-O 3.18Å; Q206-A482 PolarHBondContact OE1-O 2.87Å
207E98.7Very high98.4Very high27 Ų2739.1 Ų39.113%0.12621%0.213CC..Hα-helixtrans-59.5-48.2175.6-175.5174.5-116.300110.9K190 M202 S203 V204 G205 S209 G210 Y211K190-E207 IonicContact NZ-OE1 2.79Å; K190-E207 PolarHBondContact NZ-OE1 2.98Å; K190-E207 IonicContact NZ-OE2 2.91Å; K190-E207 PolarHBondContact NZ-OE2 3.2Å; M202-E207 HydrophobicContact CE-CB 3.7Å; M202-E207 VanDerWaalsContact CE-N 3.35Å; S203-E207 PolarHBondContact O-N 2.82Å; S203-E207 VanDerWaalsContact O-N 3.08Å; V204-E207 WeakPolarHBondContact O-CB 3.19Å; V204-E207 PolarHBondContact O-N 2.93Å; G205-E207 VanDerWaalsContact C-N 3.34Å; G205-E207 PolarHBondContact O-N 3.5Å; E207-S209 VanDerWaalsContact C-N 3.28Å; E207-S209 PolarHBondContact O-N 3.31Å; E207-G210 PolarHBondContact O-N 2.71Å; E207-Y211 HydrophobicContact CG-CE2 4.16Å
208L98.8Very high98.4Very high0 Ų033.3 Ų33.30%019%0.187CC..Hα-helixtrans-63-34.1177.3-68.2-179.1000112.9L178 K181 M182 F185 V204 G205 Q206 G210 Y211 V212 F317 F331L178-L208 HydrophobicContact CD2-CD2 4.32Å; K181-L208 HydrophobicContact CB-CD1 3.79Å; M182-L208 HydrophobicContact CB-CB 3.9Å; M182-L208 HydrophobicContact CG-CB 4.2Å; F185-L208 HydrophobicContact CD2-CD1 3.83Å; V204-L208 HydrophobicContact CG1-CD1 4.43Å; V204-L208 HydrophobicContact CG1-CG 4.48Å; V204-L208 WeakPolarHBondContact O-CG 3.42Å; V204-L208 PolarHBondContact O-N 3.46Å; G205-L208 PolarHBondContact O-N 3.05Å; Q206-L208 PolarHBondContact O-N 3.43Å; L208-G210 PolarHBondContact O-N 3.15Å; L208-Y211 HydrophobicContact CD2-CD2 3.85Å; L208-Y211 HydrophobicContact CD2-CE2 3.91Å; L208-Y211 PolarHBondContact O-N 2.76Å; L208-Y211 VanDerWaalsContact O-N 3.17Å; L208-V212 PolarHBondContact O-N 2.89Å; L208-V212 VanDerWaalsContact O-N 3.11Å; L208-F317 HydrophobicContact CD2-CE2 3.99Å; L208-F317 HydrophobicContact CD2-CZ 4.01Å; L208-F331 HydrophobicContact CD2-CZ 4.45Å
209S98.8Very high98.5Very high47 Ų4729.2 Ų29.233%0.32917%0.165SC..Hα-helixtrans-61.7-30.1177.882.20000112.7M182 G205 Q206 E207 V212 S213M182-S209 VanDerWaalsContact SD-CA 3.57Å; M182-S209 VanDerWaalsContact SD-CB 3.53Å; G205-S209 WeakPolarHBondContact O-CB 3.47Å; G205-S209 PolarHBondContact O-N 3.1Å; Q206-S209 WeakPolarHBondContact O-CB 3.22Å; Q206-S209 PolarHBondContact O-N 3.41Å; Q206-S209 PolarHBondContact O-OG 3.36Å; E207-S209 VanDerWaalsContact C-N 3.28Å; E207-S209 PolarHBondContact O-N 3.31Å; S209-V212 PolarHBondContact O-N 2.94Å; S209-S213 WeakPolarHBondContact O-CB 3.49Å; S209-S213 PolarHBondContact O-N 3.02Å
210G98.7Very high98.5Very high27 Ų2732.4 Ų32.428%0.27818%0.181SC..Hα-helixtrans-62.1-47.9173.700000112.1Q206 E207 L208 S213 Q214Q206-G210 PolarHBondContact O-N 3.34Å; E207-G210 PolarHBondContact O-N 2.71Å; L208-G210 PolarHBondContact O-N 3.15Å; G210-S213 PolarHBondContact O-N 3.4Å; G210-Q214 WeakPolarHBondContact O-CG 3.45Å; G210-Q214 PolarHBondContact O-N 2.82Å
211Y98.6Very high98.6Very high2 Ų231.4 Ų31.41%0.00818%0.177CC..Hα-helixtrans-64.2-43177.1-49.4-63.9000111.8E207 L208 S213 Q214 L215 R312 L313 D316 F317E207-Y211 HydrophobicContact CG-CE2 4.16Å; L208-Y211 HydrophobicContact CD2-CD2 3.85Å; L208-Y211 HydrophobicContact CD2-CE2 3.91Å; L208-Y211 PolarHBondContact O-N 2.76Å; L208-Y211 VanDerWaalsContact O-N 3.17Å; Y211-S213 VanDerWaalsContact C-N 3.3Å; Y211-S213 PolarHBondContact O-N 3.03Å; Y211-Q214 PolarHBondContact O-N 3.43Å; Y211-L215 WeakPolarHBondContact O-CG 3.41Å; Y211-L215 PolarHBondContact O-N 2.88Å; Y211-R312 VanDerWaalsContact CE1-NE 3.27Å; Y211-R312 PolarHBondContact OH-NH2 3.37Å; Y211-L313 HydrophobicContact CD1-CB 4.01Å; Y211-L313 HydrophobicContact CD1-CD1 3.71Å; Y211-L313 HydrophobicContact CD1-CG 4.49Å; Y211-L313 HydrophobicContact CD2-CD1 3.64Å; Y211-L313 HydrophobicContact CE1-CB 4.45Å; Y211-L313 HydrophobicContact CE1-CD1 4.16Å; Y211-L313 HydrophobicContact CE2-CD1 4.2Å; Y211-L313 HydrophobicContact CG-CD1 3.46Å; Y211-L313 VanDerWaalsContact CG-CD1 3.46Å; Y211-D316 HydrophobicContact CE1-CB 4.15Å; Y211-D316 WeakPolarHBondContact CE1-OD2 3.26Å; Y211-D316 WeakPolarHBondContact OH-CB 3.41Å; Y211-D316 VanDerWaalsContact OH-CG 3.27Å; Y211-D316 PolarHBondContact OH-OD2 3.33Å; Y211-F317 HydrophobicContact CD2-CE2 4.38Å; Y211-F317 HydrophobicContact CE2-CE2 4.15Å
212V98.9Very high98.6Very high13 Ų1331.2 Ų31.28%0.07918%0.175CC..Hα-helixtrans-56.1-46.5176.6168.10000110.6I175 L178 K179 M182 L208 S209 L215 Q216I175-V212 HydrophobicContact CG2-CG1 4.28Å; L178-V212 HydrophobicContact CB-CG2 3.68Å; K179-V212 HydrophobicContact CD-CG1 4.33Å; K179-V212 HydrophobicContact CG-CG1 3.8Å; K179-V212 HydrophobicContact CG-CG2 4.04Å; M182-V212 HydrophobicContact SD-CG2 4.3Å; L208-V212 PolarHBondContact O-N 2.89Å; L208-V212 VanDerWaalsContact O-N 3.11Å; S209-V212 PolarHBondContact O-N 2.94Å; V212-L215 PolarHBondContact O-N 2.91Å; V212-Q216 WeakPolarHBondContact O-CB 3.31Å; V212-Q216 PolarHBondContact O-N 3.36Å
213S98.8Very high98.6Very high56 Ų5631.8 Ų31.839%0.39218%0.176SC..Hα-helixtrans-64.2-44.9179.1-174.40000112.3S209 G210 Y211 L215 Q216 Q217S209-S213 WeakPolarHBondContact O-CB 3.49Å; S209-S213 PolarHBondContact O-N 3.02Å; G210-S213 PolarHBondContact O-N 3.4Å; Y211-S213 VanDerWaalsContact C-N 3.3Å; Y211-S213 PolarHBondContact O-N 3.03Å; S213-L215 PolarHBondContact O-N 3.24Å; S213-Q216 PolarHBondContact O-N 3.13Å; S213-Q217 VanDerWaalsContact O-CG 3.31Å; S213-Q217 WeakPolarHBondContact O-CG 3.34Å; S213-Q217 PolarHBondContact O-N 3.39Å; S213-Q217 PolarHBondContact OG-NE2 3.18Å; S213-Q217 VanDerWaalsContact OG-NE2 3.13Å
214Q98.8Very high98.6Very high72 Ų7235 Ų3534%0.33620%0.199SC..Hα-helixtrans-60.6-43.9177.9-69.4-177.9-75.900112G210 Y211 Q217 A218 A309G210-Q214 WeakPolarHBondContact O-CG 3.45Å; G210-Q214 PolarHBondContact O-N 2.82Å; Y211-Q214 PolarHBondContact O-N 3.43Å; Q214-Q217 PolarHBondContact O-N 3.47Å; Q214-A218 PolarHBondContact O-N 2.9Å; Q214-A218 VanDerWaalsContact O-N 3.07Å; Q214-A309 HydrophobicContact CB-CB 4.1Å
215L98.8Very high98.6Very high2 Ų236.2 Ų36.21%0.0121%0.205CC..Hα-helixtrans-71-35.5178.8-67.2175.5000112.3L174 I175 L178 Y211 V212 S213 A218 V219 A309 L310 L313L174-L215 HydrophobicContact CD2-CD1 3.97Å; L174-L215 HydrophobicContact CG-CD1 4.2Å; I175-L215 HydrophobicContact CD1-CB 3.84Å; I175-L215 HydrophobicContact CG1-CB 3.62Å; I175-L215 HydrophobicContact CG1-CD1 4.25Å; L178-L215 HydrophobicContact CD1-CD1 3.66Å; Y211-L215 WeakPolarHBondContact O-CG 3.41Å; Y211-L215 PolarHBondContact O-N 2.88Å; V212-L215 PolarHBondContact O-N 2.91Å; S213-L215 PolarHBondContact O-N 3.24Å; L215-A218 WeakPolarHBondContact O-CB 3.28Å; L215-A218 PolarHBondContact O-N 3.36Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 2.91Å; L215-A309 HydrophobicContact CD2-CB 4.22Å; L215-L310 HydrophobicContact CD2-CD2 3.73Å; L215-L310 HydrophobicContact CD2-CG 4Å; L215-L313 HydrophobicContact CD1-CD2 4.33Å
216Q98.6Very high98.5Very high51 Ų5136.4 Ų36.424%0.23821%0.205CC..Hα-helixtrans-63.6-44.6174.7-171.363.865.800111.2V212 S213 A218 V219 D220V212-Q216 WeakPolarHBondContact O-CB 3.31Å; V212-Q216 PolarHBondContact O-N 3.36Å; S213-Q216 PolarHBondContact O-N 3.13Å; Q216-A218 VanDerWaalsContact C-N 3.28Å; Q216-A218 PolarHBondContact O-N 2.97Å; Q216-V219 WeakPolarHBondContact O-CB 3.48Å; Q216-V219 PolarHBondContact O-N 3.08Å; Q216-D220 PolarHBondContact NE2-OD1 3.35Å; Q216-D220 VanDerWaalsContact NE2-OD1 3.15Å; Q216-D220 PolarHBondContact O-N 2.95Å
217Q98.7Very high98.5Very high116 Ų11637.7 Ų37.754%0.54222%0.219SC..Hα-helixtrans-60.7-38.5174.8-70.1171.342.900112S213 Q214 D220 S221S213-Q217 VanDerWaalsContact O-CG 3.31Å; S213-Q217 WeakPolarHBondContact O-CG 3.34Å; S213-Q217 PolarHBondContact O-N 3.39Å; S213-Q217 PolarHBondContact OG-NE2 3.18Å; S213-Q217 VanDerWaalsContact OG-NE2 3.13Å; Q214-Q217 PolarHBondContact O-N 3.47Å; Q217-D220 PolarHBondContact O-N 2.89Å; Q217-S221 WeakPolarHBondContact O-CB 3.37Å; Q217-S221 PolarHBondContact O-N 2.7Å; Q217-S221 PolarHBondContact O-OG 3.21Å
218A98.5Very high98.4Very high6 Ų640.1 Ų40.15%0.0523%0.232CC..Hα-helixtrans-63.8-45.5174.900000112Q214 L215 Q216 D220 S221 I222 T306Q214-A218 PolarHBondContact O-N 2.9Å; Q214-A218 VanDerWaalsContact O-N 3.07Å; L215-A218 WeakPolarHBondContact O-CB 3.28Å; L215-A218 PolarHBondContact O-N 3.36Å; Q216-A218 VanDerWaalsContact C-N 3.28Å; Q216-A218 PolarHBondContact O-N 2.97Å; A218-D220 PolarHBondContact O-N 2.71Å; A218-S221 PolarHBondContact O-N 3.08Å; A218-I222 WeakPolarHBondContact O-CG1 3.45Å; A218-I222 PolarHBondContact O-N 2.92Å; A218-T306 HydrophobicContact CB-CG2 4.19Å
219V98.7Very high98.4Very high0 Ų040.1 Ų40.10%023%0.232CC..Hα-helixtrans-57.4-48.7173.8162.10000111L168 L171 I175 L215 Q216 S221 I222 K223L168-V219 HydrophobicContact CD2-CG1 4.05Å; L171-V219 HydrophobicContact CB-CG2 3.7Å; L171-V219 HydrophobicContact CD1-CG2 4.07Å; L171-V219 HydrophobicContact CG-CG2 4.49Å; I175-V219 HydrophobicContact CD1-CG2 3.76Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 2.91Å; Q216-V219 WeakPolarHBondContact O-CB 3.48Å; Q216-V219 PolarHBondContact O-N 3.08Å; V219-S221 VanDerWaalsContact C-N 3.3Å; V219-S221 PolarHBondContact O-N 2.73Å; V219-I222 PolarHBondContact O-N 3.07Å; V219-K223 HydrophobicContact CG1-CD 4.12Å; V219-K223 HydrophobicContact CG1-CG 4.47Å; V219-K223 VanDerWaalsContact O-CG 3.28Å; V219-K223 WeakPolarHBondContact O-CG 3.46Å; V219-K223 PolarHBondContact O-N 3.29Å
220D98.4Very high98.4Very high82 Ų8238 Ų3844%0.43922%0.217SC..Hα-helixtrans-65.1-37.7-178.1-62-20.1000111.2Q216 Q217 A218 K223 S224Q216-D220 PolarHBondContact NE2-OD1 3.35Å; Q216-D220 VanDerWaalsContact NE2-OD1 3.15Å; Q216-D220 PolarHBondContact O-N 2.95Å; Q217-D220 PolarHBondContact O-N 2.89Å; A218-D220 PolarHBondContact O-N 2.71Å; D220-K223 PolarHBondContact O-N 3.47Å; D220-S224 PolarHBondContact O-N 3.44Å
221S98.5Very high98.4Very high52 Ų5239.4 Ų39.436%0.36422%0.216SC..Hα-helixtrans-62.2-48.9173.6-59.60000111.8Q217 A218 V219 K223 S224 Q225Q217-S221 WeakPolarHBondContact O-CB 3.37Å; Q217-S221 PolarHBondContact O-N 2.7Å; Q217-S221 PolarHBondContact O-OG 3.21Å; A218-S221 PolarHBondContact O-N 3.08Å; V219-S221 VanDerWaalsContact C-N 3.3Å; V219-S221 PolarHBondContact O-N 2.73Å; S221-K223 VanDerWaalsContact C-N 3.34Å; S221-K223 PolarHBondContact O-N 2.71Å; S221-S224 PolarHBondContact O-N 3.44Å; S221-S224 PolarHBondContact O-OG 3.5Å; S221-Q225 PolarHBondContact O-N 3.13Å
222I98.7Very high98.4Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-58.5-46.7176.7-69.3165000110.5T163 L168 L171 A218 V219 S224 Q225 L226 L299 C302 F303T163-I222 HydrophobicContact CG2-CG2 3.4Å; T163-I222 VanDerWaalsContact CG2-CG2 3.4Å; L168-I222 HydrophobicContact CD2-CB 4.14Å; L168-I222 HydrophobicContact CD2-CG2 3.8Å; L168-I222 HydrophobicContact CG-CG2 4.21Å; L171-I222 HydrophobicContact CD1-CD1 3.79Å; A218-I222 WeakPolarHBondContact O-CG1 3.45Å; A218-I222 PolarHBondContact O-N 2.92Å; V219-I222 PolarHBondContact O-N 3.07Å; I222-S224 VanDerWaalsContact C-N 3.27Å; I222-S224 PolarHBondContact O-N 3.38Å; I222-Q225 PolarHBondContact O-N 2.98Å; I222-Q225 VanDerWaalsContact O-N 3.08Å; I222-L226 PolarHBondContact O-N 3.02Å; I222-L299 HydrophobicContact CG2-CD1 4.1Å; I222-C302 HydrophobicContact CG1-CB 3.87Å; I222-F303 HydrophobicContact CD1-CD1 3.91Å; I222-F303 HydrophobicContact CD1-CE1 3.96Å; I222-F303 HydrophobicContact CG1-CD1 4.12Å; I222-F303 HydrophobicContact CG1-CE1 4.11Å; I222-F303 HydrophobicContact CG2-CE1 4.21Å
223K98.1Very high98.4Very high62 Ų6238.8 Ų38.827%0.2721%0.213SC..Hα-helixtrans-57.4-40.9178.6-72.4-178.8174.2-178.40112.1L168 V219 D220 S221 Q225 L226 P227 V276L168-K223 HydrophobicContact CD1-CG 3.73Å; L168-K223 HydrophobicContact CD2-CG 3.92Å; V219-K223 HydrophobicContact CG1-CD 4.12Å; V219-K223 HydrophobicContact CG1-CG 4.47Å; V219-K223 VanDerWaalsContact O-CG 3.28Å; V219-K223 WeakPolarHBondContact O-CG 3.46Å; V219-K223 PolarHBondContact O-N 3.29Å; D220-K223 PolarHBondContact O-N 3.47Å; S221-K223 VanDerWaalsContact C-N 3.34Å; S221-K223 PolarHBondContact O-N 2.71Å; K223-Q225 PolarHBondContact O-N 3.3Å; K223-L226 PolarHBondContact O-N 3.01Å; K223-P227 WeakPolarHBondContact O-CD 3.46Å; K223-V276 HydrophobicContact CB-CG2 4.44Å; K223-V276 HydrophobicContact CD-CG2 4.01Å; K223-V276 HydrophobicContact CG-CG2 3.75Å
224S97.6Very high98.4Very high67 Ų6736.1 Ų36.147%0.46919%0.194SC..Hα-helixtrans-63.4-22.9179.277.40000114D220 S221 I222D220-S224 PolarHBondContact O-N 3.44Å; S221-S224 PolarHBondContact O-N 3.44Å; S221-S224 PolarHBondContact O-OG 3.5Å; I222-S224 VanDerWaalsContact C-N 3.27Å; I222-S224 PolarHBondContact O-N 3.38Å
225Q98.1Very high98.3Very high27 Ų2733.1 Ų33.113%0.12618%0.183CC..Hα-helixtrans-87-22179.7-57.8-50.6-56.800113.1S221 I222 K223 L228 I229 L299 C302S221-Q225 PolarHBondContact O-N 3.13Å; I222-Q225 PolarHBondContact O-N 2.98Å; I222-Q225 VanDerWaalsContact O-N 3.08Å; K223-Q225 PolarHBondContact O-N 3.3Å; Q225-L228 WeakPolarHBondContact O-CB 3.24Å; Q225-L228 PolarHBondContact O-N 2.98Å; Q225-I229 PolarHBondContact O-N 3.1Å; Q225-L299 HydrophobicContact CB-CB 4.4Å; Q225-L299 HydrophobicContact CB-CD1 4.16Å; Q225-C302 VanDerWaalsContact CG-SG 3.56Å
226L98.2Very high98.3Very high3 Ų333 Ų332%0.01618%0.182CC..Hα-helixtrans-56-43.1-177.9-74.7178.9000113.4T163 A164 L168 I222 K223 L228 I229 C230 V276 L278T163-L226 HydrophobicContact CG2-CD2 3.81Å; T163-L226 HydrophobicContact CG2-CG 4.49Å; A164-L226 HydrophobicContact CB-CD1 4.19Å; L168-L226 HydrophobicContact CD1-CD1 3.79Å; I222-L226 PolarHBondContact O-N 3.02Å; K223-L226 PolarHBondContact O-N 3.01Å; L226-L228 VanDerWaalsContact C-N 3.28Å; L226-L228 PolarHBondContact O-N 3.48Å; L226-I229 HydrophobicContact CD2-CD1 3.56Å; L226-I229 HydrophobicContact CD2-CG1 4.32Å; L226-I229 WeakPolarHBondContact O-CG1 3.5Å; L226-I229 PolarHBondContact O-N 3.47Å; L226-C230 PolarHBondContact O-N 2.95Å; L226-C230 VanDerWaalsContact O-N 3.12Å; L226-C230 PolarHBondContact O-SG 3.12Å; L226-V276 HydrophobicContact CD1-CB 3.84Å; L226-V276 HydrophobicContact CD1-CG1 3.68Å; L226-V276 HydrophobicContact CD1-CG2 4.01Å; L226-L278 HydrophobicContact CD2-CD2 4.46Å
227P97.7Very high98.3Very high80 Ų8030.9 Ų30.952%0.51917%0.173SC..Hα-helixtrans-57.3-39.6175.6-27.236.2000113.3K223 C230 H231K223-P227 WeakPolarHBondContact O-CD 3.46Å; P227-C230 PolarHBondContact O-N 3.15Å; P227-H231 PolarHBondContact O-CD2 3.09Å
228L97.2Very high98.2Very high78 Ų7827.7 Ų27.741%0.40817%0.166SC..Hα-helixtrans-68.3-43-177.4-63.5175.4000112Q225 L226 C230 H231 A295Q225-L228 WeakPolarHBondContact O-CB 3.24Å; Q225-L228 PolarHBondContact O-N 2.98Å; L226-L228 VanDerWaalsContact C-N 3.28Å; L226-L228 PolarHBondContact O-N 3.48Å; L228-C230 PolarHBondContact O-N 2.89Å; L228-H231 PolarHBondContact O-N 2.86Å; L228-A295 HydrophobicContact CB-CB 4.06Å
229I97.9Very high98.2Very high0 Ų030.4 Ų30.40%018%0.182CC..Hα-helixtrans-70.9-23.1177.767.7174000111.9N156 A160 Q225 L226 H231 A295 L296 L299N156-I229 VanDerWaalsContact CB-O 3.31Å; N156-I229 WeakPolarHBondContact CB-O 3.46Å; N156-I229 PolarHBondContact ND2-O 3.03Å; A160-I229 HydrophobicContact CB-CD1 3.65Å; A160-I229 HydrophobicContact CB-CG1 4.12Å; Q225-I229 PolarHBondContact O-N 3.1Å; L226-I229 HydrophobicContact CD2-CD1 3.56Å; L226-I229 HydrophobicContact CD2-CG1 4.32Å; L226-I229 WeakPolarHBondContact O-CG1 3.5Å; L226-I229 PolarHBondContact O-N 3.47Å; I229-H231 PolarHBondContact O-N 3.03Å; I229-A295 HydrophobicContact CG2-CB 3.98Å; I229-L296 HydrophobicContact CB-CD2 4.32Å; I229-L296 HydrophobicContact CG2-CD2 3.94Å; I229-L299 HydrophobicContact CD1-CD2 4.01Å
230C98.6Very high98.2Very high3 Ų330.8 Ų30.82%0.0219%0.185CC..THydrogen-bonded Turntrans-72.8-3.1175.6-73.40000114L226 P227 L228 I279 F280 K281L226-C230 PolarHBondContact O-N 2.95Å; L226-C230 VanDerWaalsContact O-N 3.12Å; L226-C230 PolarHBondContact O-SG 3.12Å; P227-C230 PolarHBondContact O-N 3.15Å; L228-C230 PolarHBondContact O-N 2.89Å; C230-I279 VanDerWaalsContact CB-O 3.29Å; C230-I279 WeakPolarHBondContact CB-O 3.45Å; C230-F280 HydrophobicContact CB-CD1 3.99Å; C230-F280 HydrophobicContact CB-CE1 4.36Å; C230-F280 WeakPolarHBondContact O-CA 3.22Å; C230-K281 PolarHBondContact O-N 3.18Å
231H98.6Very high98.2Very high55 Ų5531.1 Ų31.126%0.25519%0.191SC..EExtended strand (participates in β ladder)trans-80.8115.5166.6-74.2-96.6000110.4N156 P227 L228 I229 K281 P282 A283N156-H231 PolarHBondContact ND2-O 3.37Å; P227-H231 PolarHBondContact O-CD2 3.09Å; L228-H231 PolarHBondContact O-N 2.86Å; I229-H231 PolarHBondContact O-N 3.03Å; H231-K281 CarbonylContact C-O 3.31Å; H231-K281 VanDerWaalsContact CA-O 3.31Å; H231-K281 WeakPolarHBondContact CA-O 3.3Å; H231-P282 PolarHBondContact ND1-O 2.89Å; H231-A283 HydrophobicContact CB-CB 4.23Å
232L98.8Very high98.1Very high0 Ų029.6 Ų29.60%018%0.183CC..EExtended strand (participates in β ladder)trans-102.1142.5-168.4-58.2-177.7000112.4T153 N156 V234 L257 F280 K281 A283T153-L232 HydrophobicContact CG2-CB 4.02Å; T153-L232 HydrophobicContact CG2-CD1 3.88Å; T153-L232 HydrophobicContact CG2-CD2 4.21Å; T153-L232 HydrophobicContact CG2-CG 4.24Å; N156-L232 HydrophobicContact CB-CD2 3.7Å; L232-V234 VanDerWaalsContact C-N 3.27Å; L232-V234 HydrophobicContact CB-CG1 3.96Å; L232-V234 PolarHBondContact O-N 2.86Å; L232-L257 HydrophobicContact CD1-CD1 3.81Å; L232-F280 HydrophobicContact CD1-CB 3.72Å; L232-F280 HydrophobicContact CD1-CD1 3.87Å; L232-F280 HydrophobicContact CD1-CG 3.97Å; L232-F280 HydrophobicContact CD2-CD1 4Å; L232-F280 HydrophobicContact CG-CB 4.32Å; L232-F280 HydrophobicContact CG-CD1 4.11Å; L232-K281 PolarHBondContact N-O 2.77Å; L232-A283 WeakPolarHBondContact O-CB 3.32Å; L232-A283 PolarHBondContact O-N 2.93Å
233A98.6Very high98.1Very high2 Ų235.3 Ų35.32%0.01721%0.213CC..  trans-72.9-17.9-178.800000114D149 P152 T153 G236 A289 L290D149-A233 HydrophobicContact CB-CB 4.48Å; D149-A233 WeakPolarHBondContact CB-O 3.14Å; P152-A233 HydrophobicContact CB-CB 4.24Å; P152-A233 HydrophobicContact CG-CB 3.79Å; T153-A233 PolarHBondContact OG1-N 2.89Å; A233-G236 PolarHBondContact O-N 3.48Å; A233-A289 HydrophobicContact CB-CB 3.91Å; A233-L290 HydrophobicContact CB-CD2 4.05Å
234V98.3Very high97.9Very high0 Ų038.4 Ų38.40%023%0.232CC..THydrogen-bonded Turntrans-46.6137.1-17864.60000112.9I150 T153 L232 G236 F249 D250 L253 K286I150-V234 HydrophobicContact CD1-CB 4.39Å; I150-V234 HydrophobicContact CD1-CG2 3.77Å; T153-V234 HydrophobicContact CG2-CB 4.18Å; T153-V234 HydrophobicContact CG2-CG1 4.49Å; T153-V234 PolarHBondContact OG1-N 3.11Å; L232-V234 VanDerWaalsContact C-N 3.27Å; L232-V234 HydrophobicContact CB-CG1 3.96Å; L232-V234 PolarHBondContact O-N 2.86Å; V234-G236 VanDerWaalsContact C-N 3.28Å; V234-F249 HydrophobicContact CG2-CD1 4.44Å; V234-F249 HydrophobicContact CG2-CE1 3.94Å; V234-D250 HydrophobicContact CG1-CB 4.26Å; V234-D250 VanDerWaalsContact O-CB 3.28Å; V234-D250 WeakPolarHBondContact O-CB 3.3Å; V234-L253 HydrophobicContact CB-CD2 4.26Å; V234-L253 HydrophobicContact CG1-CD2 3.85Å; V234-L253 HydrophobicContact CG2-CD1 3.89Å; V234-L253 HydrophobicContact CG2-CD2 3.88Å; V234-L253 HydrophobicContact CG2-CG 4.42Å; V234-K286 WeakPolarHBondContact O-CE 3.18Å
235G97.9Very high97.7Very high9 Ų936.4 Ų36.49%0.09322%0.218CC..THydrogen-bonded Turntrans86.6-7.4-17400000113.6D149 T237 G242D149-G235 PolarHBondContact OD2-N 3.21Å; G235-T237 VanDerWaalsContact C-N 3.28Å; G235-G242 WeakPolarHBondContact O-CA 3.49Å
236G98.2Very high97.5Very high0 Ų036.7 Ų36.70%022%0.223CC..  trans-72.3-21.2168.400000113.6D149 A233 V234 A238 G240 T241 G242D149-G236 PolarHBondContact OD2-N 3.08Å; A233-G236 PolarHBondContact O-N 3.48Å; V234-G236 VanDerWaalsContact C-N 3.28Å; G236-A238 PolarHBondContact O-N 3.38Å; G236-G240 CarbonylContact O-C 3.5Å; G236-G240 VanDerWaalsContact O-C 3.31Å; G236-G240 WeakPolarHBondContact O-CA 3.4Å; G236-G240 PolarHBondContact O-N 2.87Å; G236-T241 PolarHBondContact O-N 3.37Å; G236-G242 PolarHBondContact O-N 3.5Å
237T98Very high97.2Very high7 Ų746.6 Ų46.64%0.04327%0.266CS..THydrogen-bonded Turntrans50.5-124.6-176.171.80000113.7S146 D149 G235 L243 C245S146-T237 WeakPolarHBondContact CB-O 3.25Å; S146-T237 PolarHBondContact OG-O 3.36Å; D149-T237 VanDerWaalsContact CG-N 3.32Å; D149-T237 WeakPolarHBondContact OD2-CA 3.15Å; D149-T237 PolarHBondContact OD2-N 3.43Å; G235-T237 VanDerWaalsContact C-N 3.28Å; T237-L243 WeakPolarHBondContact CB-O 3.23Å; T237-L243 VanDerWaalsContact CG2-O 3.3Å; T237-L243 WeakPolarHBondContact CG2-O 3.31Å; T237-L243 PolarHBondContact OG1-N 2.92Å; T237-L243 PolarHBondContact OG1-O 2.95Å; T237-C245 HydrophobicContact CG2-CB 3.57Å
238A98Very high96.9Very high48 Ų4844.1 Ų44.140%0.39726%0.255SS..THydrogen-bonded Turntrans-72.8-44.6-168.700000112.9N148 G236N148-A238 PolarHBondContact ND2-O 3.3Å; G236-A238 PolarHBondContact O-N 3.38Å
239V98.4Very high96.9Very high64 Ų6440.4 Ų40.439%0.38824%0.235SC..THydrogen-bonded Turntrans-137.85.4-168.5-61.90000113.8T241 F287 E379V239-T241 HydrophobicContact CG2-CG2 4.05Å; V239-F287 WeakPolarHBondContact O-CD1 3.42Å; V239-F287 WeakPolarHBondContact O-CE1 3.47Å; V239-E379 HydrophobicContact CB-CB 4.31Å; V239-E379 HydrophobicContact CB-CG 4.25Å; V239-E379 HydrophobicContact CG1-CB 4.49Å
240G98.4Very high96.8Very high7 Ų741.8 Ų41.87%0.07224%0.243CC..SBendtrans106.2-8.5177.300000114.7G236 K286 L290G236-G240 CarbonylContact O-C 3.5Å; G236-G240 VanDerWaalsContact O-C 3.31Å; G236-G240 WeakPolarHBondContact O-CA 3.4Å; G236-G240 PolarHBondContact O-N 2.87Å; G240-K286 WeakPolarHBondContact O-CB 3.4Å; G240-L290 VanDerWaalsContact CA-CD1 3.47Å
241T98Very high96.8Very high90 Ų9047.8 Ų47.855%0.55227%0.271SS*.SBendtrans-80.1-15.7-177.456.10000114.2G236 V239 L243 F287G236-T241 PolarHBondContact O-N 3.37Å; V239-T241 HydrophobicContact CG2-CG2 4.05Å; T241-L243 VanDerWaalsContact C-N 3.27Å; T241-L243 PolarHBondContact O-N 2.87Å; T241-F287 HydrophobicContact CG2-CE1 4.04Å; T241-F287 HydrophobicContact CG2-CZ 4.24Å
242G97.5Very high96.6Very high19 Ų1948.1 Ų48.120%0.19627%0.273CS..  trans73.714.2-175.200000115.1G235 G236 N244 C245G235-G242 WeakPolarHBondContact O-CA 3.49Å; G236-G242 PolarHBondContact O-N 3.5Å; G242-N244 PolarHBondContact O-N 3.16Å; G242-C245 VanDerWaalsContact O-CB 3.31Å; G242-C245 WeakPolarHBondContact O-CB 3.5Å; G242-C245 PolarHBondContact O-N 3.4Å
243L97.3Very high96.6Very high120 Ų12048.1 Ų48.163%0.62827%0.273SS*.THydrogen-bonded Turntrans-53.6135.7173.8-176.266.2000110.6T237 T241 C245T237-L243 WeakPolarHBondContact CB-O 3.23Å; T237-L243 VanDerWaalsContact CG2-O 3.3Å; T237-L243 WeakPolarHBondContact CG2-O 3.31Å; T237-L243 PolarHBondContact OG1-N 2.92Å; T237-L243 PolarHBondContact OG1-O 2.95Å; T241-L243 VanDerWaalsContact C-N 3.27Å; T241-L243 PolarHBondContact O-N 2.87Å; L243-C245 PolarHBondContact O-N 3.4Å
244N94.8Very high96.6Very high127 Ų12748.1 Ų48.168%0.67927%0.272SS*.THydrogen-bonded Turntrans68.40.9-175.4-60.7-24.5000116.5R71 G242R71-N244 PolarHBondContact NH1-O 2.89Å; G242-N244 PolarHBondContact O-N 3.16Å
245C94.3Very high96.6Very high26 Ų2651.7 Ų51.718%0.17629%0.294CS..SBendtrans-93143.9169.1-1660000110.7T237 G242 L243 F249T237-C245 HydrophobicContact CG2-CB 3.57Å; G242-C245 VanDerWaalsContact O-CB 3.31Å; G242-C245 WeakPolarHBondContact O-CB 3.5Å; G242-C245 PolarHBondContact O-N 3.4Å; L243-C245 PolarHBondContact O-N 3.4Å; C245-F249 VanDerWaalsContact SG-CB 3.53Å; C245-F249 WeakPolarHBondContact SG-CD1 3.36Å
246S92.9Very high96.6Very high32 Ų3252 Ų5222%0.22430%0.295CS..PPolyproline II helixtrans-76.1141.5176-68.20000110.6R71 G248 F249R71-S246 VanDerWaalsContact CD-OG 3.29Å; R71-S246 WeakPolarHBondContact CD-OG 2.93Å; R71-S246 PolarHBondContact NH1-OG 3.24Å; S246-G248 PolarHBondContact O-N 3.42Å; S246-F249 WeakPolarHBondContact O-CB 3.35Å; S246-F249 PolarHBondContact O-N 3.39Å
247K92.4Very high96.6Very high211 Ų21152 Ų5292%0.91730%0.295SS*.THydrogen-bonded Turntrans-56.9131.6174.5-173.4176.9-179.7179.90110.3F249K247-F249 VanDerWaalsContact C-N 3.29Å; K247-F249 PolarHBondContact O-N 3.27Å
248G92.1Very high96.6Very high28 Ų2853.1 Ų53.129%0.28930%0.301SS..THydrogen-bonded Turntrans81.3-0.6-178.400000115S246 D250 E252S246-G248 PolarHBondContact O-N 3.42Å; G248-D250 PolarHBondContact O-N 3.06Å; G248-E252 WeakPolarHBondContact O-CB 3.47Å; G248-E252 PolarHBondContact O-N 2.77Å; G248-E252 VanDerWaalsContact O-N 3.1Å
249F96.2Very high96.6Very high0 Ų055.6 Ų55.60%031%0.305CS..Hα-helixtrans-62.2-41.8177.5175.1-89.7000112.4A62 T65 L69 Q145 V234 C245 S246 K247 L253A62-F249 HydrophobicContact CB-CE2 4.31Å; A62-F249 HydrophobicContact CB-CZ 3.81Å; T65-F249 HydrophobicContact CG2-CD2 3.53Å; T65-F249 HydrophobicContact CG2-CE2 3.96Å; T65-F249 HydrophobicContact CG2-CG 4.3Å; L69-F249 HydrophobicContact CD1-CD2 4.34Å; Q145-F249 HydrophobicContact CG-CZ 4.32Å; V234-F249 HydrophobicContact CG2-CD1 4.44Å; V234-F249 HydrophobicContact CG2-CE1 3.94Å; C245-F249 VanDerWaalsContact SG-CB 3.53Å; C245-F249 WeakPolarHBondContact SG-CD1 3.36Å; S246-F249 WeakPolarHBondContact O-CB 3.35Å; S246-F249 PolarHBondContact O-N 3.39Å; K247-F249 VanDerWaalsContact C-N 3.29Å; K247-F249 PolarHBondContact O-N 3.27Å; F249-L253 HydrophobicContact CD1-CD1 4.5Å; F249-L253 HydrophobicContact CE1-CD1 3.61Å; F249-L253 HydrophobicContact CZ-CD1 3.63Å; F249-L253 WeakPolarHBondContact O-CB 3.49Å; F249-L253 PolarHBondContact O-N 2.98Å
250D96.7Very high96.5Very high30 Ų3052.9 Ų52.916%0.1629%0.288CS..Hα-helixtrans-67.9-44.1-179.557-21.4000112.3V234 G248 L253 C254 P282 K286V234-D250 HydrophobicContact CG1-CB 4.26Å; V234-D250 VanDerWaalsContact O-CB 3.28Å; V234-D250 WeakPolarHBondContact O-CB 3.3Å; G248-D250 PolarHBondContact O-N 3.06Å; D250-L253 PolarHBondContact O-N 2.85Å; D250-C254 WeakPolarHBondContact O-CB 3.22Å; D250-C254 PolarHBondContact O-N 3.43Å; D250-C254 PolarHBondContact O-SG 2.93Å; D250-P282 HydrophobicContact CB-CB 4.15Å; D250-P282 HydrophobicContact CB-CG 4.05Å; D250-P282 WeakPolarHBondContact OD2-CB 3.39Å; D250-K286 IonicContact OD2-NZ 3.59Å; D250-K286 PolarHBondContact OD2-NZ 3.42Å
251E96.8Very high96.5Very high128 Ų12852.6 Ų52.660%0.59829%0.285SS*.Hα-helixtrans-58.3-53.6174.7-69.1176.4-179.200111.6L253 C254 V255 P282E251-L253 VanDerWaalsContact C-N 3.31Å; E251-L253 PolarHBondContact O-N 3.24Å; E251-C254 PolarHBondContact O-N 3.4Å; E251-V255 WeakPolarHBondContact O-CG2 3.47Å; E251-V255 PolarHBondContact O-N 3.46Å; E251-P282 HydrophobicContact CG-CG 4.02Å
252E96.4Very high96.3Very high63 Ų6350.9 Ų50.929%0.29427%0.273SS..Hα-helixtrans-62.7-38.7-179.5179.562.5-163.600111.9T65 K68 G248 S256T65-E252 HydrophobicContact CG2-CB 4.03Å; T65-E252 HydrophobicContact CG2-CG 3.79Å; K68-E252 IonicContact NZ-OE1 3.77Å; K68-E252 PolarHBondContact NZ-OE1 2.9Å; G248-E252 WeakPolarHBondContact O-CB 3.47Å; G248-E252 PolarHBondContact O-N 2.77Å; G248-E252 VanDerWaalsContact O-N 3.1Å; E252-S256 VanDerWaalsContact O-CB 3.26Å; E252-S256 WeakPolarHBondContact O-CB 3.45Å; E252-S256 PolarHBondContact O-N 3.13Å; E252-S256 PolarHBondContact O-OG 2.93Å
253L97.8Very high96.2Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-66.2-42.6177.4-176.3148.4000111.4I58 V61 A62 V234 F249 D250 E251 S256 L257I58-L253 HydrophobicContact CG2-CD1 4.41Å; V61-L253 HydrophobicContact CB-CG 4.36Å; V61-L253 HydrophobicContact CG1-CB 4.08Å; V61-L253 HydrophobicContact CG1-CD1 4.37Å; V61-L253 HydrophobicContact CG1-CG 3.69Å; A62-L253 HydrophobicContact CB-CD1 4.09Å; V234-L253 HydrophobicContact CB-CD2 4.26Å; V234-L253 HydrophobicContact CG1-CD2 3.85Å; V234-L253 HydrophobicContact CG2-CD1 3.89Å; V234-L253 HydrophobicContact CG2-CD2 3.88Å; V234-L253 HydrophobicContact CG2-CG 4.42Å; F249-L253 HydrophobicContact CD1-CD1 4.5Å; F249-L253 HydrophobicContact CE1-CD1 3.61Å; F249-L253 HydrophobicContact CZ-CD1 3.63Å; F249-L253 WeakPolarHBondContact O-CB 3.49Å; F249-L253 PolarHBondContact O-N 2.98Å; D250-L253 PolarHBondContact O-N 2.85Å; E251-L253 VanDerWaalsContact C-N 3.31Å; E251-L253 PolarHBondContact O-N 3.24Å; L253-S256 PolarHBondContact O-N 3.49Å; L253-L257 HydrophobicContact CD2-CD1 3.45Å; L253-L257 VanDerWaalsContact CD2-CD1 3.45Å; L253-L257 HydrophobicContact CD2-CG 4Å; L253-L257 HydrophobicContact CG-CD1 4.47Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.92Å
254C98.4Very high96.1Very high1 Ų151.3 Ų51.31%0.00726%0.261CS..Hα-helixtrans-66-40.7178.1-69.40000112.4D250 E251 L257 T258 F280 P282D250-C254 WeakPolarHBondContact O-CB 3.22Å; D250-C254 PolarHBondContact O-N 3.43Å; D250-C254 PolarHBondContact O-SG 2.93Å; E251-C254 PolarHBondContact O-N 3.4Å; C254-L257 PolarHBondContact O-N 3.5Å; C254-T258 WeakPolarHBondContact O-CB 3.17Å; C254-T258 PolarHBondContact O-N 3.07Å; C254-T258 PolarHBondContact O-OG1 3.24Å; C254-F280 HydrophobicContact CB-CB 4.34Å; C254-F280 WeakPolarHBondContact CB-O 3.49Å; C254-P282 HydrophobicContact CB-CG 4.49Å; C254-P282 VanDerWaalsContact SG-N 3.42Å
255V98Very high96.1Very high75 Ų7545.5 Ų45.546%0.45523%0.23SC..Hα-helixtrans-61-47.7173.8170.80000110.5E251 T258 Q259E251-V255 WeakPolarHBondContact O-CG2 3.47Å; E251-V255 PolarHBondContact O-N 3.46Å; V255-T258 WeakPolarHBondContact O-CB 3.35Å; V255-T258 PolarHBondContact O-N 2.88Å; V255-Q259 WeakPolarHBondContact O-CG 3.4Å; V255-Q259 PolarHBondContact O-N 2.8Å; V255-Q259 VanDerWaalsContact O-N 3.11Å
256S98Very high96.1Very high16 Ų1649.2 Ų49.211%0.11224%0.24CC..Hα-helixtrans-68.2-36-179.1-68.50000112.7E252 L253 Q259 L260E252-S256 VanDerWaalsContact O-CB 3.26Å; E252-S256 WeakPolarHBondContact O-CB 3.45Å; E252-S256 PolarHBondContact O-N 3.13Å; E252-S256 PolarHBondContact O-OG 2.93Å; L253-S256 PolarHBondContact O-N 3.49Å; S256-Q259 PolarHBondContact O-N 3.1Å; S256-L260 WeakPolarHBondContact O-CB 3.22Å; S256-L260 PolarHBondContact O-N 2.75Å
257L98.3Very high96.1Very high0 Ų052.7 Ų52.70%026%0.26CS..Hα-helixtrans-62.6-46.3172.1-83.6179.2000111.1M57 I58 V61 L157 L232 L253 C254 Q259 L260 T261 F280M57-L257 HydrophobicContact CB-CD2 4.37Å; I58-L257 HydrophobicContact CG1-CD1 4.18Å; I58-L257 HydrophobicContact CG1-CD2 4.3Å; V61-L257 HydrophobicContact CB-CD2 4.47Å; V61-L257 HydrophobicContact CG2-CD2 3.89Å; V61-L257 HydrophobicContact CG2-CG 4.18Å; L157-L257 HydrophobicContact CD2-CD1 4.34Å; L157-L257 HydrophobicContact CD2-CD2 3.95Å; L232-L257 HydrophobicContact CD1-CD1 3.81Å; L253-L257 HydrophobicContact CD2-CD1 3.45Å; L253-L257 VanDerWaalsContact CD2-CD1 3.45Å; L253-L257 HydrophobicContact CD2-CG 4Å; L253-L257 HydrophobicContact CG-CD1 4.47Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.92Å; C254-L257 PolarHBondContact O-N 3.5Å; L257-Q259 VanDerWaalsContact C-N 3.29Å; L257-Q259 PolarHBondContact O-N 2.94Å; L257-L260 PolarHBondContact O-N 3.34Å; L257-L260 VanDerWaalsContact O-N 3.1Å; L257-T261 WeakPolarHBondContact O-CG2 3.41Å; L257-T261 PolarHBondContact O-N 3.14Å; L257-T261 PolarHBondContact O-OG1 3.32Å; L257-F280 HydrophobicContact CB-CD2 4.24Å
258T98.3Very high96.1Very high30 Ų3048.5 Ų48.518%0.18425%0.246CC..Hα-helixtrans-54.4-46.9176.6-61.10000111.2C254 V255 T261 D262 L278 F280C254-T258 WeakPolarHBondContact O-CB 3.17Å; C254-T258 PolarHBondContact O-N 3.07Å; C254-T258 PolarHBondContact O-OG1 3.24Å; V255-T258 WeakPolarHBondContact O-CB 3.35Å; V255-T258 PolarHBondContact O-N 2.88Å; T258-T261 PolarHBondContact O-OG1 2.97Å; T258-D262 WeakPolarHBondContact O-CB 3.42Å; T258-D262 PolarHBondContact O-N 3.05Å; T258-L278 WeakPolarHBondContact CG2-O 3.43Å; T258-F280 PolarHBondContact OG1-N 3.24Å
259Q97.6Very high96Very high101 Ų10150.3 Ų50.347%0.47224%0.244SC..Hα-helixtrans-66.1-40.2176.9-67.1172.72.700112.7V255 S256 L257 R263V255-Q259 WeakPolarHBondContact O-CG 3.4Å; V255-Q259 PolarHBondContact O-N 2.8Å; V255-Q259 VanDerWaalsContact O-N 3.11Å; S256-Q259 PolarHBondContact O-N 3.1Å; L257-Q259 VanDerWaalsContact C-N 3.29Å; L257-Q259 PolarHBondContact O-N 2.94Å; Q259-R263 WeakPolarHBondContact O-CG 3.32Å; Q259-R263 PolarHBondContact O-N 2.94Å; Q259-R263 VanDerWaalsContact O-N 3.12Å
260L97.6Very high95.7Very high6 Ų659.4 Ų59.43%0.03128%0.284CS..Hα-helixtrans-64.6-48178.6177.960.1000110.9M57 V61 S256 L257 D262 R263 L264M57-L260 HydrophobicContact CB-CD2 3.88Å; M57-L260 HydrophobicContact CG-CD2 4.06Å; V61-L260 HydrophobicContact CG2-CD2 4.02Å; S256-L260 WeakPolarHBondContact O-CB 3.22Å; S256-L260 PolarHBondContact O-N 2.75Å; L257-L260 PolarHBondContact O-N 3.34Å; L257-L260 VanDerWaalsContact O-N 3.1Å; L260-D262 PolarHBondContact O-N 3.29Å; L260-R263 PolarHBondContact O-N 2.98Å; L260-L264 HydrophobicContact CD1-CD1 4.14Å; L260-L264 HydrophobicContact CD1-CG 4.2Å; L260-L264 HydrophobicContact CG-CD1 4.01Å; L260-L264 HydrophobicContact CG-CG 4.48Å; L260-L264 WeakPolarHBondContact O-CB 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.28Å; L260-L264 PolarHBondContact O-N 3.17Å
261T96.7Very high94.9Very high2 Ų263 Ų631%0.01230%0.299CS..Hα-helixtrans-65.1-39.2-179.952.20000112.4L157 M161 W165 L257 T258 L264 Y265 F280L157-T261 HydrophobicContact CD1-CG2 3.81Å; M161-T261 HydrophobicContact CG-CG2 4.35Å; M161-T261 HydrophobicContact SD-CG2 3.66Å; W165-T261 WeakPolarHBondContact CH2-O 3.38Å; W165-T261 VanDerWaalsContact CZ2-O 3.3Å; W165-T261 WeakPolarHBondContact CZ2-O 3.42Å; L257-T261 WeakPolarHBondContact O-CG2 3.41Å; L257-T261 PolarHBondContact O-N 3.14Å; L257-T261 PolarHBondContact O-OG1 3.32Å; T258-T261 PolarHBondContact O-OG1 2.97Å; T261-L264 PolarHBondContact O-N 2.96Å; T261-Y265 WeakPolarHBondContact O-CB 3.39Å; T261-Y265 PolarHBondContact O-N 3.42Å; T261-F280 HydrophobicContact CG2-CE2 3.83Å
262D95.3Very high93.9Very high54 Ų5460.7 Ų60.729%0.28930%0.298SS..Hα-helixtrans-61.7-45.7174.4174.377.6000111.6T258 L260 L264 Y265 R266T258-D262 WeakPolarHBondContact O-CB 3.42Å; T258-D262 PolarHBondContact O-N 3.05Å; L260-D262 PolarHBondContact O-N 3.29Å; D262-L264 PolarHBondContact O-N 2.96Å; D262-Y265 PolarHBondContact O-N 2.77Å; D262-R266 VanDerWaalsContact CG-NE 3.32Å; D262-R266 WeakPolarHBondContact O-CG 3.49Å; D262-R266 PolarHBondContact O-N 2.82Å; D262-R266 VanDerWaalsContact O-N 3.08Å; D262-R266 IonicContact OD1-CZ 3.58Å; D262-R266 IonicContact OD1-NE 3.52Å; D262-R266 PolarHBondContact OD1-NE 3.33Å; D262-R266 VanDerWaalsContact OD1-NE 3.16Å; D262-R266 IonicContact OD1-NH2 2.63Å; D262-R266 PolarHBondContact OD1-NH2 2.77Å; D262-R266 IonicContact OD2-CZ 3.98Å; D262-R266 IonicContact OD2-NE 3.41Å; D262-R266 PolarHBondContact OD2-NE 3.05Å; D262-R266 IonicContact OD2-NH2 2.84Å
263R95.4Very high93.2Very high126 Ų12662 Ų6248%0.47531%0.31SS..Hα-helixtrans-61.8-42.8175.2-74.5-166.7-53.4-100.1-2.1112.6Q259 L260 R266 T267Q259-R263 WeakPolarHBondContact O-CG 3.32Å; Q259-R263 PolarHBondContact O-N 2.94Å; Q259-R263 VanDerWaalsContact O-N 3.12Å; L260-R263 PolarHBondContact O-N 2.98Å; R263-R266 PolarHBondContact O-N 3.17Å; R263-T267 WeakPolarHBondContact O-CB 3.33Å; R263-T267 PolarHBondContact O-N 3.48Å; R263-T267 PolarHBondContact O-OG1 2.79Å
264L95.4Very high92.5Very high22 Ų2262.8 Ų62.812%0.11532%0.315CS..Hα-helixtrans-63.6-43.4178.5-73.9174000111.2M57 Y88 W165 L260 T261 D262 T267 M268M57-L264 HydrophobicContact CE-CD1 3.52Å; M57-L264 HydrophobicContact CG-CD1 4.36Å; M57-L264 HydrophobicContact SD-CD1 3.69Å; Y88-L264 HydrophobicContact CE2-CD2 4.13Å; W165-L264 HydrophobicContact CH2-CB 4.3Å; L260-L264 HydrophobicContact CD1-CD1 4.14Å; L260-L264 HydrophobicContact CD1-CG 4.2Å; L260-L264 HydrophobicContact CG-CD1 4.01Å; L260-L264 HydrophobicContact CG-CG 4.48Å; L260-L264 WeakPolarHBondContact O-CB 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.28Å; L260-L264 PolarHBondContact O-N 3.17Å; T261-L264 PolarHBondContact O-N 2.96Å; D262-L264 PolarHBondContact O-N 2.96Å; L264-T267 PolarHBondContact O-N 3.07Å; L264-M268 VanDerWaalsContact O-CB 3.32Å; L264-M268 WeakPolarHBondContact O-CB 3.49Å; L264-M268 PolarHBondContact O-N 3.01Å
265Y94.6Very high92Very high4 Ų465.4 Ų65.42%0.01633%0.331CS..Hα-helixtrans-55.7-54.3175.1-178.6-93.6000111.4W165 T261 D262 T267 M268 Y269 E271 P274W165-Y265 HydrophobicContact CB-CD2 4.25Å; W165-Y265 HydrophobicContact CB-CE2 4.15Å; W165-Y265 AromaticContact CD1-CD2 3.36Å; W165-Y265 AromaticContact CD1-CE2 3.62Å; W165-Y265 AromaticContact CD2-CD2 3.69Å; W165-Y265 HydrophobicContact CD2-CD2 3.69Å; W165-Y265 HydrophobicContact CD2-CE2 4.45Å; W165-Y265 AromaticContact CE2-CD2 3.61Å; W165-Y265 HydrophobicContact CE3-CD2 4.48Å; W165-Y265 AromaticContact CG-CD2 3.54Å; W165-Y265 HydrophobicContact CG-CD2 3.54Å; W165-Y265 AromaticContact CG-CE2 3.84Å; W165-Y265 HydrophobicContact CG-CE2 3.84Å; W165-Y265 HydrophobicContact CZ2-CD2 4.32Å; W165-Y265 AromaticContact NE1-CD2 3.42Å; T261-Y265 WeakPolarHBondContact O-CB 3.39Å; T261-Y265 PolarHBondContact O-N 3.42Å; D262-Y265 PolarHBondContact O-N 2.77Å; Y265-T267 PolarHBondContact O-N 3.24Å; Y265-M268 PolarHBondContact O-N 2.92Å; Y265-Y269 AromaticContact CD2-CD2 3.35Å; Y265-Y269 HydrophobicContact CD2-CD2 3.35Å; Y265-Y269 AromaticContact CD2-CE2 3.76Å; Y265-Y269 HydrophobicContact CD2-CE2 3.76Å; Y265-Y269 HydrophobicContact CD2-CG 4.3Å; Y265-Y269 AromaticContact CE2-CD2 3.4Å; Y265-Y269 HydrophobicContact CE2-CD2 3.4Å; Y265-Y269 VanDerWaalsContact CE2-CD2 3.4Å; Y265-Y269 AromaticContact CE2-CE2 3.89Å; Y265-Y269 HydrophobicContact CE2-CE2 3.89Å; Y265-Y269 AromaticContact CE2-CG 3.96Å; Y265-Y269 HydrophobicContact CE2-CG 3.96Å; Y265-Y269 HydrophobicContact CG-CD2 4.03Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.32Å; Y265-Y269 PolarHBondContact O-N 3.29Å; Y265-E271 HydrophobicContact CE1-CB 4.03Å; Y265-E271 PolarHBondContact OH-OE2 2.92Å; Y265-P274 HydrophobicContact CD1-CB 4.12Å; Y265-P274 HydrophobicContact CD2-CB 4.29Å; Y265-P274 HydrophobicContact CE1-CB 3.76Å; Y265-P274 HydrophobicContact CE1-CG 4.46Å; Y265-P274 HydrophobicContact CE2-CB 3.9Å; Y265-P274 HydrophobicContact CG-CB 4.39Å
266R93.9Very high91.7Very high104 Ų10463.2 Ų63.239%0.39232%0.318SS..Hα-helixtrans-58.1-38.5-179.5-67.6171.9-168.9-71.8-18.8112.1D262 R263 K270 S272D262-R266 VanDerWaalsContact CG-NE 3.32Å; D262-R266 WeakPolarHBondContact O-CG 3.49Å; D262-R266 PolarHBondContact O-N 2.82Å; D262-R266 VanDerWaalsContact O-N 3.08Å; D262-R266 IonicContact OD1-CZ 3.58Å; D262-R266 IonicContact OD1-NE 3.52Å; D262-R266 PolarHBondContact OD1-NE 3.33Å; D262-R266 VanDerWaalsContact OD1-NE 3.16Å; D262-R266 IonicContact OD1-NH2 2.63Å; D262-R266 PolarHBondContact OD1-NH2 2.77Å; D262-R266 IonicContact OD2-CZ 3.98Å; D262-R266 IonicContact OD2-NE 3.41Å; D262-R266 PolarHBondContact OD2-NE 3.05Å; D262-R266 IonicContact OD2-NH2 2.84Å; R263-R266 PolarHBondContact O-N 3.17Å; R266-K270 VanDerWaalsContact O-CA 3.3Å; R266-K270 WeakPolarHBondContact O-CA 3.26Å; R266-K270 PolarHBondContact O-N 2.66Å; R266-K270 VanDerWaalsContact O-N 3.12Å; R266-S272 VanDerWaalsContact CZ-O 3.25Å; R266-S272 PolarHBondContact NH1-O 2.94Å; R266-S272 PolarHBondContact NH2-O 3.28Å
267T93Very high91.4Very high106 Ų10667.3 Ų67.365%0.6534%0.338SS*.Hα-helixtrans-69.9-44.5179.2-55.40000111.5R263 L264 Y265R263-T267 WeakPolarHBondContact O-CB 3.33Å; R263-T267 PolarHBondContact O-N 3.48Å; R263-T267 PolarHBondContact O-OG1 2.79Å; L264-T267 PolarHBondContact O-N 3.07Å; Y265-T267 PolarHBondContact O-N 3.24Å
268M91.5Very high91.4Very high123 Ų12368 Ų6861%0.60634%0.342SS*.Hα-helixtrans-75-47-174.3-174.7176.5-67.600112.4L264 Y265L264-M268 VanDerWaalsContact O-CB 3.32Å; L264-M268 WeakPolarHBondContact O-CB 3.49Å; L264-M268 PolarHBondContact O-N 3.01Å; Y265-M268 PolarHBondContact O-N 2.92Å
269Y91Very high91.3Very high66 Ų6671.4 Ų71.426%0.25936%0.358SS..Hα-helixtrans-95.4-9.4-173.1-63.7-78000113.5W165 Y265 E271W165-Y269 HydrophobicContact CB-CE2 3.83Å; W165-Y269 HydrophobicContact CD2-CE2 4.2Å; W165-Y269 AromaticContact CE3-CE2 3.99Å; W165-Y269 HydrophobicContact CE3-CE2 3.99Å; W165-Y269 HydrophobicContact CG-CE2 4.18Å; Y265-Y269 AromaticContact CD2-CD2 3.35Å; Y265-Y269 HydrophobicContact CD2-CD2 3.35Å; Y265-Y269 AromaticContact CD2-CE2 3.76Å; Y265-Y269 HydrophobicContact CD2-CE2 3.76Å; Y265-Y269 HydrophobicContact CD2-CG 4.3Å; Y265-Y269 AromaticContact CE2-CD2 3.4Å; Y265-Y269 HydrophobicContact CE2-CD2 3.4Å; Y265-Y269 VanDerWaalsContact CE2-CD2 3.4Å; Y265-Y269 AromaticContact CE2-CE2 3.89Å; Y265-Y269 HydrophobicContact CE2-CE2 3.89Å; Y265-Y269 AromaticContact CE2-CG 3.96Å; Y265-Y269 HydrophobicContact CE2-CG 3.96Å; Y265-Y269 HydrophobicContact CG-CD2 4.03Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.32Å; Y265-Y269 PolarHBondContact O-N 3.29Å; Y269-E271 PolarHBondContact O-N 3.45Å; Y269-E271 VanDerWaalsContact O-N 3.09Å
270K88.8Confident91.4Very high191 Ų19166.8 Ų66.883%0.8334%0.336SS*.  trans54.923-175.9-55.8-179-179.8177.80113.4R266R266-K270 VanDerWaalsContact O-CA 3.3Å; R266-K270 WeakPolarHBondContact O-CA 3.26Å; R266-K270 PolarHBondContact O-N 2.66Å; R266-K270 VanDerWaalsContact O-N 3.12Å
271E80Confident91.4Very high104 Ų10471.9 Ų71.949%0.48636%0.358SS..  trans-106.8147.1177.3-73178-179.100110.1Y265 Y269Y265-E271 HydrophobicContact CE1-CB 4.03Å; Y265-E271 PolarHBondContact OH-OE2 2.92Å; Y269-E271 PolarHBondContact O-N 3.45Å; Y269-E271 VanDerWaalsContact O-N 3.09Å
272S75.8Confident91.5Very high81 Ų8173.2 Ų73.257%0.56637%0.367SS*.SBendtrans-82.6-20.4179.359.20000113.6R266R266-S272 VanDerWaalsContact CZ-O 3.25Å; R266-S272 PolarHBondContact NH1-O 2.94Å; R266-S272 PolarHBondContact NH2-O 3.28Å
273T81.4Confident91.7Very high91 Ų9171 Ų7156%0.55836%0.356SS*.SBendtrans-144.9116-168.6-46.90000109.9
274P84.2Confident91.7Very high15 Ų1574 Ų7410%0.09738%0.375CS..  trans-68.1163.6173.730.9-35000111.2Y265 V276 D277Y265-P274 HydrophobicContact CD1-CB 4.12Å; Y265-P274 HydrophobicContact CD2-CB 4.29Å; Y265-P274 HydrophobicContact CE1-CB 3.76Å; Y265-P274 HydrophobicContact CE1-CG 4.46Å; Y265-P274 HydrophobicContact CE2-CB 3.9Å; Y265-P274 HydrophobicContact CG-CB 4.39Å; P274-V276 WeakPolarHBondContact CB-O 3.34Å; P274-V276 WeakPolarHBondContact CG-O 3.37Å; P274-V276 PolarHBondContact O-N 3.49Å; P274-D277 WeakPolarHBondContact CG-OD1 3.2Å
275V86.5Confident91.9Very high56 Ų5677 Ų7734%0.33939%0.392SS..SBendtrans-59.4-32.2173.5177.70000111.5L168 P169L168-V275 HydrophobicContact CB-CG1 4.19Å; P169-V275 HydrophobicContact CG-CG2 3.87Å
276V92.3Very high92Very high30 Ų3078.1 Ų78.118%0.18240%0.397CS..SBendtrans-143.9134.2174.7-179.20000108.9L168 K223 L226 P274L168-V276 HydrophobicContact CD1-CB 4.47Å; L168-V276 HydrophobicContact CD1-CG2 3.68Å; K223-V276 HydrophobicContact CB-CG2 4.44Å; K223-V276 HydrophobicContact CD-CG2 4.01Å; K223-V276 HydrophobicContact CG-CG2 3.75Å; L226-V276 HydrophobicContact CD1-CB 3.84Å; L226-V276 HydrophobicContact CD1-CG1 3.68Å; L226-V276 HydrophobicContact CD1-CG2 4.01Å; P274-V276 WeakPolarHBondContact CB-O 3.34Å; P274-V276 WeakPolarHBondContact CG-O 3.37Å; P274-V276 PolarHBondContact O-N 3.49Å
277D92.4Very high92.3Very high101 Ų10178 Ų7854%0.5440%0.399SS..  trans-73.9133.7172.3-64.8-39.9000111P274P274-D277 WeakPolarHBondContact CG-OD1 3.2Å
278L96.9Very high92.5Very high14 Ų1475.7 Ų75.77%0.07339%0.391CS..  trans-96.5106.3174.5-65.7-179.7000109.5A160 M161 A164 L226 T258 F280A160-L278 HydrophobicContact CB-CD1 4.31Å; A160-L278 HydrophobicContact CB-CD2 4.06Å; M161-L278 HydrophobicContact CB-CD1 4.46Å; M161-L278 HydrophobicContact CG-CD1 3.95Å; A164-L278 HydrophobicContact CB-CD1 4.01Å; A164-L278 HydrophobicContact CB-CD2 3.88Å; A164-L278 HydrophobicContact CB-CG 4.02Å; L226-L278 HydrophobicContact CD2-CD2 4.46Å; T258-L278 WeakPolarHBondContact CG2-O 3.43Å; L278-F280 HydrophobicContact CB-CE2 4Å; L278-F280 HydrophobicContact CB-CZ 3.96Å; L278-F280 HydrophobicContact CD1-CZ 4.15Å
279I97.9Very high92.9Very high102 Ų10271 Ų7152%0.52337%0.372SS..  trans-109105.1175.9-56.1174.8000108.3C230C230-I279 VanDerWaalsContact CB-O 3.29Å; C230-I279 WeakPolarHBondContact CB-O 3.45Å
280F98.6Very high93.2Very high5 Ų567.9 Ų67.92%0.02236%0.36CS..  trans-82.4141.2178.8-60.8-71.2000111.5L157 A160 C230 L232 C254 L257 T258 T261 L278L157-F280 HydrophobicContact CD1-CD2 4.36Å; L157-F280 HydrophobicContact CD1-CE1 3.8Å; L157-F280 HydrophobicContact CD1-CE2 3.58Å; L157-F280 HydrophobicContact CD1-CZ 3.25Å; A160-F280 HydrophobicContact CB-CE1 4.16Å; A160-F280 HydrophobicContact CB-CZ 4.42Å; C230-F280 HydrophobicContact CB-CD1 3.99Å; C230-F280 HydrophobicContact CB-CE1 4.36Å; C230-F280 WeakPolarHBondContact O-CA 3.22Å; L232-F280 HydrophobicContact CD1-CB 3.72Å; L232-F280 HydrophobicContact CD1-CD1 3.87Å; L232-F280 HydrophobicContact CD1-CG 3.97Å; L232-F280 HydrophobicContact CD2-CD1 4Å; L232-F280 HydrophobicContact CG-CB 4.32Å; L232-F280 HydrophobicContact CG-CD1 4.11Å; C254-F280 HydrophobicContact CB-CB 4.34Å; C254-F280 WeakPolarHBondContact CB-O 3.49Å; L257-F280 HydrophobicContact CB-CD2 4.24Å; T258-F280 PolarHBondContact OG1-N 3.24Å; T261-F280 HydrophobicContact CG2-CE2 3.83Å; L278-F280 HydrophobicContact CB-CE2 4Å; L278-F280 HydrophobicContact CB-CZ 3.96Å; L278-F280 HydrophobicContact CD1-CZ 4.15Å
281K98.6Very high93.7Very high112 Ų11260 Ų6049%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-139.4153.7178.7-64-179-176.7176.20110.1C230 H231 L232 A283C230-K281 PolarHBondContact O-N 3.18Å; H231-K281 CarbonylContact C-O 3.31Å; H231-K281 VanDerWaalsContact CA-O 3.31Å; H231-K281 WeakPolarHBondContact CA-O 3.3Å; L232-K281 PolarHBondContact N-O 2.77Å; K281-A283 PolarHBondContact O-N 3.32Å
282P98.4Very high94.5Very high30 Ų3055.8 Ų55.820%0.19531%0.314CS..EExtended strand (participates in β ladder)trans-60.2140.4167.6-19.632.2000110.1H231 D250 E251 C254 E284H231-P282 PolarHBondContact ND1-O 2.89Å; D250-P282 HydrophobicContact CB-CB 4.15Å; D250-P282 HydrophobicContact CB-CG 4.05Å; D250-P282 WeakPolarHBondContact OD2-CB 3.39Å; E251-P282 HydrophobicContact CG-CG 4.02Å; C254-P282 HydrophobicContact CB-CG 4.49Å; C254-P282 VanDerWaalsContact SG-N 3.42Å; P282-E284 PolarHBondContact O-N 2.78Å
283A98.4Very high95.6Very high8 Ų852.3 Ų52.37%0.06629%0.289CS..  trans-61.4134.7169.700000109.6H231 L232 K281 N285 K286 A289H231-A283 HydrophobicContact CB-CB 4.23Å; L232-A283 WeakPolarHBondContact O-CB 3.32Å; L232-A283 PolarHBondContact O-N 2.93Å; K281-A283 PolarHBondContact O-N 3.32Å; A283-N285 VanDerWaalsContact C-N 3.25Å; A283-N285 PolarHBondContact O-N 2.94Å; A283-K286 HydrophobicContact CB-CD 4.25Å; A283-K286 PolarHBondContact O-NZ 3.45Å; A283-A289 HydrophobicContact CB-CB 3.73Å
284E96.9Very high96.4Very high188 Ų18852.7 Ų52.788%0.87929%0.288SS*.SBendtrans-61.4-39.2179.3-65.3-174.4171.900110.9P282P282-E284 PolarHBondContact O-N 2.78Å
285N98.3Very high97.1Very high85 Ų8553.1 Ų53.146%0.45529%0.293SS..  trans-117.6104.7174.4-169.9-51.2000110.2A283 F287 A288 A289A283-N285 VanDerWaalsContact C-N 3.25Å; A283-N285 PolarHBondContact O-N 2.94Å; N285-F287 VanDerWaalsContact C-N 3.32Å; N285-F287 PolarHBondContact O-N 3.5Å; N285-F287 WeakPolarHBondContact OD1-CA 3.48Å; N285-F287 VanDerWaalsContact OD1-CB 3.3Å; N285-F287 WeakPolarHBondContact OD1-CB 3.31Å; N285-F287 WeakPolarHBondContact OD1-CD2 3.47Å; N285-F287 PolarHBondContact OD1-N 3.3Å; N285-A288 HydrophobicContact CB-CB 4.23Å; N285-A288 PolarHBondContact O-N 3.07Å; N285-A288 PolarHBondContact OD1-N 2.78Å; N285-A289 PolarHBondContact O-N 3.18Å
286K98.3Very high97.7Very high28 Ų2850.5 Ų50.512%0.12228%0.277CS..Hα-helixtrans-67.1-31.8179.6-61.1-55.3-165.3-65.40112.4V234 G240 D250 A283 A289 L290V234-K286 WeakPolarHBondContact O-CE 3.18Å; G240-K286 WeakPolarHBondContact O-CB 3.4Å; D250-K286 IonicContact OD2-NZ 3.59Å; D250-K286 PolarHBondContact OD2-NZ 3.42Å; A283-K286 HydrophobicContact CB-CD 4.25Å; A283-K286 PolarHBondContact O-NZ 3.45Å; K286-A289 PolarHBondContact O-N 3.15Å; K286-L290 VanDerWaalsContact O-CG 3.22Å; K286-L290 WeakPolarHBondContact O-CG 3.16Å; K286-L290 PolarHBondContact O-N 3.12Å; K286-L290 VanDerWaalsContact O-N 3.1Å
287F98.7Very high98Very high101 Ų10151.4 Ų51.444%0.44328%0.28SS..Hα-helixtrans-61.8-47.4177.9-50.6-80.8000111V239 T241 N285 A289 L290 A291V239-F287 WeakPolarHBondContact O-CD1 3.42Å; V239-F287 WeakPolarHBondContact O-CE1 3.47Å; T241-F287 HydrophobicContact CG2-CE1 4.04Å; T241-F287 HydrophobicContact CG2-CZ 4.24Å; N285-F287 VanDerWaalsContact C-N 3.32Å; N285-F287 PolarHBondContact O-N 3.5Å; N285-F287 WeakPolarHBondContact OD1-CA 3.48Å; N285-F287 VanDerWaalsContact OD1-CB 3.3Å; N285-F287 WeakPolarHBondContact OD1-CB 3.31Å; N285-F287 WeakPolarHBondContact OD1-CD2 3.47Å; N285-F287 PolarHBondContact OD1-N 3.3Å; F287-A289 PolarHBondContact O-N 2.92Å; F287-L290 PolarHBondContact O-N 3.38Å; F287-A291 WeakPolarHBondContact O-CB 3.28Å; F287-A291 PolarHBondContact O-N 3.01Å
288A98.5Very high98.3Very high59 Ų5951.3 Ų51.349%0.48828%0.277SS..Hα-helixtrans-61.8-41.7176.100000112.2N285 L290 A291 G292N285-A288 HydrophobicContact CB-CB 4.23Å; N285-A288 PolarHBondContact O-N 3.07Å; N285-A288 PolarHBondContact OD1-N 2.78Å; A288-L290 PolarHBondContact O-N 3.03Å; A288-A291 PolarHBondContact O-N 2.83Å; A288-G292 WeakPolarHBondContact O-CA 3.33Å; A288-G292 PolarHBondContact O-N 3.35Å
289A98.4Very high98.4Very high24 Ų2450.6 Ų50.620%0.19827%0.273CS..Hα-helixtrans-67.4-20.3179.300000114.2A233 A283 N285 K286 F287A233-A289 HydrophobicContact CB-CB 3.91Å; A283-A289 HydrophobicContact CB-CB 3.73Å; N285-A289 PolarHBondContact O-N 3.18Å; K286-A289 PolarHBondContact O-N 3.15Å; F287-A289 PolarHBondContact O-N 2.92Å
290L98.8Very high98.4Very high0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-92.9-44.5175.4-63.6177.8000111.8N148 D149 P152 A233 G240 K286 F287 A288 E379 L380 N381 K384N148-L290 WeakPolarHBondContact O-CD2 3.44Å; D149-L290 HydrophobicContact CB-CD2 3.93Å; P152-L290 HydrophobicContact CG-CD2 4.34Å; A233-L290 HydrophobicContact CB-CD2 4.05Å; G240-L290 VanDerWaalsContact CA-CD1 3.47Å; K286-L290 VanDerWaalsContact O-CG 3.22Å; K286-L290 WeakPolarHBondContact O-CG 3.16Å; K286-L290 PolarHBondContact O-N 3.12Å; K286-L290 VanDerWaalsContact O-N 3.1Å; F287-L290 PolarHBondContact O-N 3.38Å; A288-L290 PolarHBondContact O-N 3.03Å; L290-E379 WeakPolarHBondContact CB-O 3.25Å; L290-L380 HydrophobicContact CB-CD1 4.11Å; L290-N381 PolarHBondContact O-N 3.17Å; L290-N381 VanDerWaalsContact O-N 3.11Å; L290-K384 PolarHBondContact O-NZ 2.97Å
291A98.6Very high98.4Very high26 Ų2646.6 Ų46.622%0.21526%0.258CS..Hα-helixtrans-80.3-25.3-173.900000113.9F287 A288 L378 N381F287-A291 WeakPolarHBondContact O-CB 3.28Å; F287-A291 PolarHBondContact O-N 3.01Å; A288-A291 PolarHBondContact O-N 2.83Å; A291-L378 VanDerWaalsContact CB-O 3.28Å; A291-L378 WeakPolarHBondContact CB-O 3.39Å; A291-N381 VanDerWaalsContact O-CB 3.31Å; A291-N381 WeakPolarHBondContact O-CB 3.36Å
292G97.7Very high98.5Very high15 Ų1542.1 Ų42.116%0.15524%0.24CC..  trans-133.1166.9-178.700000112.7A288A288-G292 WeakPolarHBondContact O-CA 3.33Å; A288-G292 PolarHBondContact O-N 3.35Å
293H98.5Very high98.5Very high8 Ų840.7 Ų40.74%0.03723%0.231CC..  trans-136.736.2-179.5-77.5-64000111.4A295 L296 L297 K384 I387H293-A295 VanDerWaalsContact C-N 3.33Å; H293-A295 PolarHBondContact O-N 2.91Å; H293-L296 WeakPolarHBondContact O-CB 3.49Å; H293-L296 PolarHBondContact O-N 3.4Å; H293-L296 VanDerWaalsContact O-N 3.1Å; H293-L297 PolarHBondContact O-N 3.47Å; H293-K384 WeakPolarHBondContact NE2-CG 3.48Å; H293-K384 PolarHBondContact NE2-NZ 2.97Å; H293-K384 VanDerWaalsContact NE2-NZ 3.11Å; H293-I387 HydrophobicContact CB-CD1 4.07Å
294D98.3Very high98.5Very high100 Ų10042.3 Ų42.354%0.53524%0.239SC..Hα-helixtrans-68.6-30.9-165.5-54.4-21.1000112.9L297 Q298D294-L297 PolarHBondContact O-N 2.94Å; D294-Q298 WeakPolarHBondContact O-CG 3.3Å; D294-Q298 PolarHBondContact O-N 2.91Å; D294-Q298 PolarHBondContact O-NE2 2.72Å
295A98.3Very high98.6Very high24 Ų2437.2 Ų37.220%0.19822%0.221CC..Hα-helixtrans-64.8-40.9173.700000111.5L228 I229 H293 Q298 L299L228-A295 HydrophobicContact CB-CB 4.06Å; I229-A295 HydrophobicContact CG2-CB 3.98Å; H293-A295 VanDerWaalsContact C-N 3.33Å; H293-A295 PolarHBondContact O-N 2.91Å; A295-Q298 PolarHBondContact O-N 2.86Å; A295-L299 PolarHBondContact O-N 3.37Å; A295-L299 VanDerWaalsContact O-N 3.09Å
296L98.8Very high98.6Very high1 Ų133.2 Ų33.21%0.00520%0.199CC..Hα-helixtrans-68.9-36.2174.9-68.3-178.2000111.6M155 N156 I159 I229 H293 L299 S300 I387 L391M155-L296 HydrophobicContact CB-CD1 4.31Å; M155-L296 HydrophobicContact CE-CD1 3.71Å; N156-L296 WeakPolarHBondContact OD1-CD1 3.46Å; I159-L296 HydrophobicContact CB-CD2 4.35Å; I159-L296 HydrophobicContact CD1-CD1 4.1Å; I159-L296 HydrophobicContact CD1-CD2 3.8Å; I159-L296 HydrophobicContact CG2-CD2 4.16Å; I229-L296 HydrophobicContact CB-CD2 4.32Å; I229-L296 HydrophobicContact CG2-CD2 3.94Å; H293-L296 WeakPolarHBondContact O-CB 3.49Å; H293-L296 PolarHBondContact O-N 3.4Å; H293-L296 VanDerWaalsContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.12Å; L296-S300 WeakPolarHBondContact O-CB 3.36Å; L296-S300 PolarHBondContact O-N 3.26Å; L296-I387 HydrophobicContact CD1-CG2 4.1Å; L296-L391 HydrophobicContact CB-CD1 3.74Å; L296-L391 HydrophobicContact CD1-CD1 4.39Å; L296-L391 HydrophobicContact CD2-CD1 4.22Å; L296-L391 HydrophobicContact CG-CD1 4.34Å
297L98.7Very high98.7Very high48 Ų4831.9 Ų31.925%0.25119%0.193SC..Hα-helixtrans-64.5-42.4173.8177.857.6000112.1H293 D294 S300 G301 T369 S370 A373H293-L297 PolarHBondContact O-N 3.47Å; D294-L297 PolarHBondContact O-N 2.94Å; L297-S300 VanDerWaalsContact O-CB 3.22Å; L297-S300 WeakPolarHBondContact O-CB 3.43Å; L297-S300 PolarHBondContact O-N 3.41Å; L297-G301 PolarHBondContact O-N 3.25Å; L297-T369 HydrophobicContact CD1-CG2 4.44Å; L297-S370 VanDerWaalsContact CD1-OG 3.3Å; L297-S370 WeakPolarHBondContact CD1-OG 3.38Å; L297-A373 HydrophobicContact CB-CB 4.32Å; L297-A373 HydrophobicContact CD2-CB 4.03Å
298Q98.7Very high98.7Very high99 Ų9930.4 Ų30.446%0.46319%0.193SC..Hα-helixtrans-61.7-44.3175.5-75.8171.984.200111.5D294 A295 S300 G301 C302D294-Q298 WeakPolarHBondContact O-CG 3.3Å; D294-Q298 PolarHBondContact O-N 2.91Å; D294-Q298 PolarHBondContact O-NE2 2.72Å; A295-Q298 PolarHBondContact O-N 2.86Å; Q298-S300 VanDerWaalsContact C-N 3.31Å; Q298-S300 PolarHBondContact O-N 2.76Å; Q298-G301 WeakPolarHBondContact O-CA 3.42Å; Q298-G301 PolarHBondContact O-N 2.92Å; Q298-G301 VanDerWaalsContact O-N 3.07Å; Q298-C302 PolarHBondContact O-N 3.08Å
299L98.9Very high98.7Very high0 Ų028 Ų280%017%0.173CC..Hα-helixtrans-59-43172.7179.466.4000111.8I159 T163 I222 Q225 I229 A295 L296 G301 C302 F303I159-L299 HydrophobicContact CG2-CD2 3.52Å; T163-L299 HydrophobicContact CG2-CD1 4.36Å; I222-L299 HydrophobicContact CG2-CD1 4.1Å; Q225-L299 HydrophobicContact CB-CB 4.4Å; Q225-L299 HydrophobicContact CB-CD1 4.16Å; I229-L299 HydrophobicContact CD1-CD2 4.01Å; A295-L299 PolarHBondContact O-N 3.37Å; A295-L299 VanDerWaalsContact O-N 3.09Å; L296-L299 PolarHBondContact O-N 3.12Å; L299-G301 PolarHBondContact O-N 3.45Å; L299-C302 WeakPolarHBondContact O-CB 3.42Å; L299-C302 PolarHBondContact O-N 3.03Å; L299-F303 HydrophobicContact CD1-CE1 3.93Å; L299-F303 HydrophobicContact CD1-CE2 4.28Å; L299-F303 HydrophobicContact CD1-CZ 3.78Å; L299-F303 HydrophobicContact CD2-CE2 3.96Å; L299-F303 HydrophobicContact CD2-CZ 3.93Å; L299-F303 HydrophobicContact CG-CD2 4.33Å; L299-F303 HydrophobicContact CG-CE1 4.32Å; L299-F303 HydrophobicContact CG-CE2 3.76Å; L299-F303 HydrophobicContact CG-CZ 3.76Å; L299-F303 PolarHBondContact O-N 3.06Å
300S98.9Very high98.7Very high2 Ų226.9 Ų26.91%0.01416%0.164CC..Hα-helixtrans-55.9-41.3173.6-166.30000111.7L296 L297 Q298 F303 N304 H366L296-S300 WeakPolarHBondContact O-CB 3.36Å; L296-S300 PolarHBondContact O-N 3.26Å; L297-S300 VanDerWaalsContact O-CB 3.22Å; L297-S300 WeakPolarHBondContact O-CB 3.43Å; L297-S300 PolarHBondContact O-N 3.41Å; Q298-S300 VanDerWaalsContact C-N 3.31Å; Q298-S300 PolarHBondContact O-N 2.76Å; S300-F303 PolarHBondContact O-N 3.27Å; S300-N304 WeakPolarHBondContact O-CB 3.21Å; S300-N304 PolarHBondContact O-N 3.03Å; S300-H366 WeakPolarHBondContact CB-ND1 3.08Å; S300-H366 PolarHBondContact O-ND1 3.18Å; S300-H366 PolarHBondContact OG-ND1 3.22Å
301G98.9Very high98.7Very high21 Ų2128.1 Ų28.122%0.21617%0.17CC..Hα-helixtrans-62-39.1174.100000113.2L297 Q298 L299 N304 T305L297-G301 PolarHBondContact O-N 3.25Å; Q298-G301 WeakPolarHBondContact O-CA 3.42Å; Q298-G301 PolarHBondContact O-N 2.92Å; Q298-G301 VanDerWaalsContact O-N 3.07Å; L299-G301 PolarHBondContact O-N 3.45Å; G301-N304 WeakPolarHBondContact O-CB 3.39Å; G301-N304 PolarHBondContact O-N 2.69Å; G301-T305 PolarHBondContact O-N 2.64Å; G301-T305 PolarHBondContact O-OG1 3.47Å
302C98.9Very high98.7Very high17 Ų1731 Ų3112%0.11518%0.175CC..Hα-helixtrans-64.4-41.3172.8-640000112I222 Q225 Q298 L299 N304 T305 T306I222-C302 HydrophobicContact CG1-CB 3.87Å; Q225-C302 VanDerWaalsContact CG-SG 3.56Å; Q298-C302 PolarHBondContact O-N 3.08Å; L299-C302 WeakPolarHBondContact O-CB 3.42Å; L299-C302 PolarHBondContact O-N 3.03Å; C302-N304 VanDerWaalsContact C-N 3.34Å; C302-T305 PolarHBondContact O-N 3.19Å; C302-T306 PolarHBondContact O-N 3.39Å; C302-T306 PolarHBondContact O-OG1 3.35Å
303F98.9Very high98.7Very high1 Ų130.3 Ų30.30%0.00417%0.168CC..Hα-helixtrans-63.6-39.9173.8-64.6-27.3000112.2T163 V167 I222 L299 S300 T306 A307 I362 L391 T394 L398T163-F303 HydrophobicContact CG2-CE1 4.24Å; T163-F303 HydrophobicContact CG2-CZ 4.06Å; V167-F303 HydrophobicContact CG1-CE1 4.19Å; I222-F303 HydrophobicContact CD1-CD1 3.91Å; I222-F303 HydrophobicContact CD1-CE1 3.96Å; I222-F303 HydrophobicContact CG1-CD1 4.12Å; I222-F303 HydrophobicContact CG1-CE1 4.11Å; I222-F303 HydrophobicContact CG2-CE1 4.21Å; L299-F303 HydrophobicContact CD1-CE1 3.93Å; L299-F303 HydrophobicContact CD1-CE2 4.28Å; L299-F303 HydrophobicContact CD1-CZ 3.78Å; L299-F303 HydrophobicContact CD2-CE2 3.96Å; L299-F303 HydrophobicContact CD2-CZ 3.93Å; L299-F303 HydrophobicContact CG-CD2 4.33Å; L299-F303 HydrophobicContact CG-CE1 4.32Å; L299-F303 HydrophobicContact CG-CE2 3.76Å; L299-F303 HydrophobicContact CG-CZ 3.76Å; L299-F303 PolarHBondContact O-N 3.06Å; S300-F303 PolarHBondContact O-N 3.27Å; F303-T306 WeakPolarHBondContact O-CB 3.23Å; F303-T306 PolarHBondContact O-N 2.89Å; F303-A307 PolarHBondContact O-N 3.46Å; F303-I362 HydrophobicContact CB-CG2 4.34Å; F303-L391 HydrophobicContact CD2-CD2 4.03Å; F303-L391 HydrophobicContact CE2-CD2 4.12Å; F303-T394 HydrophobicContact CB-CG2 3.76Å; F303-T394 HydrophobicContact CD2-CG2 3.53Å; F303-T394 HydrophobicContact CE2-CG2 4.29Å; F303-T394 HydrophobicContact CG-CG2 3.83Å; F303-L398 HydrophobicContact CB-CD1 4.12Å; F303-L398 HydrophobicContact CD1-CD1 3.59Å; F303-L398 HydrophobicContact CE1-CD1 4.12Å; F303-L398 HydrophobicContact CG-CD1 3.9Å
304N98.9Very high98.7Very high41 Ų4129.9 Ų29.922%0.21917%0.166CC..Hα-helixtrans-60.3-46.9174.6-176.159000111.8S300 G301 C302 T306 A307 T308 M363 H366S300-N304 WeakPolarHBondContact O-CB 3.21Å; S300-N304 PolarHBondContact O-N 3.03Å; G301-N304 WeakPolarHBondContact O-CB 3.39Å; G301-N304 PolarHBondContact O-N 2.69Å; C302-N304 VanDerWaalsContact C-N 3.34Å; N304-T306 VanDerWaalsContact C-N 3.29Å; N304-T306 PolarHBondContact O-N 3.26Å; N304-A307 WeakPolarHBondContact O-CB 3.4Å; N304-A307 PolarHBondContact O-N 3.38Å; N304-A307 VanDerWaalsContact O-N 3.15Å; N304-T308 PolarHBondContact O-N 3.42Å; N304-T308 VanDerWaalsContact O-N 3.1Å; N304-M363 WeakPolarHBondContact OD1-CG 3.4Å; N304-H366 HydrophobicContact CB-CB 3.98Å
305T98.8Very high98.7Very high82 Ų8227.9 Ų27.950%0.50316%0.155SC..Hα-helixtrans-63.2-35174.5-600000112.2G301 C302 A307 T308 A309G301-T305 PolarHBondContact O-N 2.64Å; G301-T305 PolarHBondContact O-OG1 3.47Å; C302-T305 PolarHBondContact O-N 3.19Å; T305-A307 VanDerWaalsContact C-N 3.34Å; T305-T308 PolarHBondContact O-N 2.96Å; T305-T308 PolarHBondContact O-OG1 2.87Å; T305-A309 PolarHBondContact O-N 3.08Å
306T98.9Very high98.8Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-64-42173.7-52.70000111L171 A218 C302 F303 N304 T308 A309 L310 L398L171-T306 HydrophobicContact CD1-CG2 4.22Å; L171-T306 HydrophobicContact CD2-CG2 3.9Å; A218-T306 HydrophobicContact CB-CG2 4.19Å; C302-T306 PolarHBondContact O-N 3.39Å; C302-T306 PolarHBondContact O-OG1 3.35Å; F303-T306 WeakPolarHBondContact O-CB 3.23Å; F303-T306 PolarHBondContact O-N 2.89Å; N304-T306 VanDerWaalsContact C-N 3.29Å; N304-T306 PolarHBondContact O-N 3.26Å; T306-T308 VanDerWaalsContact C-N 3.32Å; T306-T308 PolarHBondContact O-N 2.79Å; T306-A309 PolarHBondContact O-N 2.89Å; T306-L310 HydrophobicContact CG2-CD1 4.02Å; T306-L310 HydrophobicContact CG2-CG 4.46Å; T306-L310 WeakPolarHBondContact O-CG 3.29Å; T306-L310 PolarHBondContact O-N 3.15Å; T306-L398 HydrophobicContact CG2-CD2 4.18Å
307A98.9Very high98.7Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-63.1-34.817700000112.5F303 N304 T305 M311 C359 I362 M363F303-A307 PolarHBondContact O-N 3.46Å; N304-A307 WeakPolarHBondContact O-CB 3.4Å; N304-A307 PolarHBondContact O-N 3.38Å; N304-A307 VanDerWaalsContact O-N 3.15Å; T305-A307 VanDerWaalsContact C-N 3.34Å; A307-M311 WeakPolarHBondContact O-CB 3.34Å; A307-M311 PolarHBondContact O-N 3.38Å; A307-C359 HydrophobicContact CB-CB 4.16Å; A307-C359 PolarHBondContact O-SG 2.91Å; A307-C359 VanDerWaalsContact O-SG 3.34Å; A307-I362 HydrophobicContact CB-CB 4.02Å; A307-I362 HydrophobicContact CB-CD1 4.4Å; A307-I362 HydrophobicContact CB-CG2 3.83Å; A307-M363 HydrophobicContact CB-CE 4.04Å; A307-M363 HydrophobicContact CB-CG 4.43Å
308T98.8Very high98.7Very high71 Ų7127.6 Ų27.644%0.43615%0.153SC..Hα-helixtrans-67.9-39175670000112N304 T305 T306 M311 R312 M363N304-T308 PolarHBondContact O-N 3.42Å; N304-T308 VanDerWaalsContact O-N 3.1Å; T305-T308 PolarHBondContact O-N 2.96Å; T305-T308 PolarHBondContact O-OG1 2.87Å; T306-T308 VanDerWaalsContact C-N 3.32Å; T306-T308 PolarHBondContact O-N 2.79Å; T308-M311 WeakPolarHBondContact O-CB 3.5Å; T308-M311 PolarHBondContact O-N 3.15Å; T308-R312 PolarHBondContact O-N 3.38Å; T308-R312 VanDerWaalsContact O-N 3.11Å; T308-M363 HydrophobicContact CG2-CE 3.82Å
309A98.7Very high98.7Very high8 Ų826 Ų267%0.06615%0.147CC..Hα-helixtrans-64.9-46175.200000112.1Q214 L215 T305 T306 M311 R312 L313Q214-A309 HydrophobicContact CB-CB 4.1Å; L215-A309 HydrophobicContact CD2-CB 4.22Å; T305-A309 PolarHBondContact O-N 3.08Å; T306-A309 PolarHBondContact O-N 2.89Å; A309-M311 VanDerWaalsContact C-N 3.35Å; A309-R312 PolarHBondContact O-N 3.19Å; A309-L313 PolarHBondContact O-N 3.09Å
310L98.9Very high98.7Very high1 Ų126.4 Ų26.41%0.00515%0.149CC..Hα-helixtrans-64.2-38.4175.9-71.7169.9000112.2L174 L215 T306 R312 L313 S314 L355 C359 L398 T402L174-L310 HydrophobicContact CD2-CD2 3.66Å; L215-L310 HydrophobicContact CD2-CD2 3.73Å; L215-L310 HydrophobicContact CD2-CG 4Å; T306-L310 HydrophobicContact CG2-CD1 4.02Å; T306-L310 HydrophobicContact CG2-CG 4.46Å; T306-L310 WeakPolarHBondContact O-CG 3.29Å; T306-L310 PolarHBondContact O-N 3.15Å; L310-R312 PolarHBondContact O-N 2.98Å; L310-L313 HydrophobicContact CD2-CD2 4.42Å; L310-L313 WeakPolarHBondContact O-CB 3.36Å; L310-L313 PolarHBondContact O-N 3.08Å; L310-S314 WeakPolarHBondContact O-CB 3.47Å; L310-S314 PolarHBondContact O-N 3.1Å; L310-L355 HydrophobicContact CB-CD1 4.29Å; L310-L355 HydrophobicContact CB-CD2 4.41Å; L310-L355 HydrophobicContact CB-CG 4.47Å; L310-L355 HydrophobicContact CD1-CD1 4.38Å; L310-L355 HydrophobicContact CD2-CD2 4.36Å; L310-C359 VanDerWaalsContact CB-SG 3.52Å; L310-L398 HydrophobicContact CD1-CD2 3.78Å; L310-T402 HydrophobicContact CD1-CG2 3.81Å; L310-T402 HydrophobicContact CD2-CG2 4.07Å
311M98.6Very high98.7Very high26 Ų2627.4 Ų27.413%0.12816%0.156CC..Hα-helixtrans-58-49.4174.9179.662.777.800110.9A307 T308 A309 S314 N315 R356 C359 L360A307-M311 WeakPolarHBondContact O-CB 3.34Å; A307-M311 PolarHBondContact O-N 3.38Å; T308-M311 WeakPolarHBondContact O-CB 3.5Å; T308-M311 PolarHBondContact O-N 3.15Å; A309-M311 VanDerWaalsContact C-N 3.35Å; M311-S314 PolarHBondContact O-N 3.26Å; M311-S314 PolarHBondContact O-OG 2.85Å; M311-N315 WeakPolarHBondContact O-CB 3.3Å; M311-N315 VanDerWaalsContact O-CG 3.23Å; M311-N315 PolarHBondContact O-N 3.33Å; M311-N315 PolarHBondContact O-ND2 3.35Å; M311-R356 HydrophobicContact CE-CG 3.87Å; M311-R356 WeakPolarHBondContact CE-O 3.42Å; M311-R356 HydrophobicContact SD-CB 4.17Å; M311-R356 HydrophobicContact SD-CG 3.66Å; M311-C359 HydrophobicContact CB-CB 4.18Å; M311-C359 HydrophobicContact CE-CB 3.55Å; M311-L360 HydrophobicContact CE-CD2 3.81Å; M311-L360 HydrophobicContact CE-CG 3.74Å
312R98.4Very high98.6Very high85 Ų8528.3 Ų28.332%0.32116%0.159SC..Hα-helixtrans-61.4-45.3177.7-176.9-103.2165.3165.7-10111.9Y211 T308 A309 L310 S314 N315 D316Y211-R312 VanDerWaalsContact CE1-NE 3.27Å; Y211-R312 PolarHBondContact OH-NH2 3.37Å; T308-R312 PolarHBondContact O-N 3.38Å; T308-R312 VanDerWaalsContact O-N 3.11Å; A309-R312 PolarHBondContact O-N 3.19Å; L310-R312 PolarHBondContact O-N 2.98Å; R312-S314 PolarHBondContact O-N 2.86Å; R312-N315 PolarHBondContact O-N 3.33Å; R312-D316 IonicContact CZ-OD2 2.82Å; R312-D316 IonicContact NE-OD2 3.88Å; R312-D316 PolarHBondContact NE-OD2 3.01Å; R312-D316 IonicContact NH2-OD2 3.16Å; R312-D316 PolarHBondContact NH2-OD2 3.34Å; R312-D316 PolarHBondContact O-N 3.2Å
313L98.7Very high98.5Very high1 Ų129.7 Ų29.71%0.00518%0.176CC..Hα-helixtrans-55.1-49.8173.6173.769.6000111.6L174 L178 Y211 L215 A309 L310 N315 D316 F317 F405L174-L313 HydrophobicContact CD2-CD2 4.28Å; L178-L313 HydrophobicContact CD1-CD2 4.18Å; L178-L313 HydrophobicContact CD2-CD1 4.2Å; Y211-L313 HydrophobicContact CD1-CB 4.01Å; Y211-L313 HydrophobicContact CD1-CD1 3.71Å; Y211-L313 HydrophobicContact CD1-CG 4.49Å; Y211-L313 HydrophobicContact CD2-CD1 3.64Å; Y211-L313 HydrophobicContact CE1-CB 4.45Å; Y211-L313 HydrophobicContact CE1-CD1 4.16Å; Y211-L313 HydrophobicContact CE2-CD1 4.2Å; Y211-L313 HydrophobicContact CG-CD1 3.46Å; Y211-L313 VanDerWaalsContact CG-CD1 3.46Å; L215-L313 HydrophobicContact CD1-CD2 4.33Å; A309-L313 PolarHBondContact O-N 3.09Å; L310-L313 HydrophobicContact CD2-CD2 4.42Å; L310-L313 WeakPolarHBondContact O-CB 3.36Å; L310-L313 PolarHBondContact O-N 3.08Å; L313-N315 VanDerWaalsContact C-N 3.35Å; L313-N315 PolarHBondContact O-N 3.3Å; L313-D316 PolarHBondContact O-N 2.77Å; L313-F317 HydrophobicContact CD1-CD2 3.74Å; L313-F317 HydrophobicContact CD1-CE2 3.36Å; L313-F317 HydrophobicContact CD1-CZ 4.08Å; L313-F317 HydrophobicContact CG-CD2 4.43Å; L313-F317 HydrophobicContact CG-CE2 4.42Å; L313-F317 VanDerWaalsContact O-CD2 3.32Å; L313-F317 WeakPolarHBondContact O-CD2 3.41Å; L313-F317 PolarHBondContact O-N 3.18Å; L313-F317 VanDerWaalsContact O-N 3.08Å; L313-F405 HydrophobicContact CD2-CD1 4.24Å; L313-F405 HydrophobicContact CD2-CE1 3.76Å; L313-F405 HydrophobicContact CG-CE1 4.01Å
314S98.3Very high98.3Very high0 Ų034.3 Ų34.30%021%0.206CC..Hα-helixtrans-63.5-39.7-178.781.80000112.5L310 M311 R312 C318L310-S314 WeakPolarHBondContact O-CB 3.47Å; L310-S314 PolarHBondContact O-N 3.1Å; M311-S314 PolarHBondContact O-N 3.26Å; M311-S314 PolarHBondContact O-OG 2.85Å; R312-S314 PolarHBondContact O-N 2.86Å; S314-C318 VanDerWaalsContact O-CB 3.23Å; S314-C318 WeakPolarHBondContact O-CB 3.33Å; S314-C318 PolarHBondContact O-N 2.98Å
315N98.6Very high98.1Very high58 Ų5839.5 Ų39.531%0.3123%0.234SC..Hα-helixtrans-68.9-43-178.6-73.5-19.1000111.4M311 R312 L313 C318 L319 R356M311-N315 WeakPolarHBondContact O-CB 3.3Å; M311-N315 VanDerWaalsContact O-CG 3.23Å; M311-N315 PolarHBondContact O-N 3.33Å; M311-N315 PolarHBondContact O-ND2 3.35Å; R312-N315 PolarHBondContact O-N 3.33Å; L313-N315 VanDerWaalsContact C-N 3.35Å; L313-N315 PolarHBondContact O-N 3.3Å; N315-C318 PolarHBondContact O-N 2.77Å; N315-L319 WeakPolarHBondContact O-CB 3.3Å; N315-L319 PolarHBondContact O-N 3.45Å; N315-R356 VanDerWaalsContact OD1-CZ 3.27Å; N315-R356 PolarHBondContact OD1-NE 3.32Å; N315-R356 PolarHBondContact OD1-NH2 3.2Å
316D98.7Very high98Very high38 Ų3842 Ų4220%0.20325%0.253CS..Hα-helixtrans-66.6-44.5178-71.43.5000110.7Y211 R312 L313 C318 L319 L320Y211-D316 HydrophobicContact CE1-CB 4.15Å; Y211-D316 WeakPolarHBondContact CE1-OD2 3.26Å; Y211-D316 WeakPolarHBondContact OH-CB 3.41Å; Y211-D316 VanDerWaalsContact OH-CG 3.27Å; Y211-D316 PolarHBondContact OH-OD2 3.33Å; R312-D316 IonicContact CZ-OD2 2.82Å; R312-D316 IonicContact NE-OD2 3.88Å; R312-D316 PolarHBondContact NE-OD2 3.01Å; R312-D316 IonicContact NH2-OD2 3.16Å; R312-D316 PolarHBondContact NH2-OD2 3.34Å; R312-D316 PolarHBondContact O-N 3.2Å; L313-D316 PolarHBondContact O-N 2.77Å; D316-C318 VanDerWaalsContact C-N 3.31Å; D316-C318 PolarHBondContact O-N 2.9Å; D316-L319 PolarHBondContact O-N 2.57Å; D316-L320 VanDerWaalsContact O-CB 3.28Å; D316-L320 WeakPolarHBondContact O-CB 3.27Å; D316-L320 WeakPolarHBondContact O-CG 3.42Å; D316-L320 PolarHBondContact O-N 2.8Å
317F98.6Very high97.9Very high0 Ų043.1 Ų43.10%027%0.265CS..Hα-helixtrans-59.3-42.8175.8-88.3-126.2000111.8L178 L208 Y211 L313 S321 F331 L333 F405 V410 L413L178-F317 HydrophobicContact CD2-CZ 4.12Å; L208-F317 HydrophobicContact CD2-CE2 3.99Å; L208-F317 HydrophobicContact CD2-CZ 4.01Å; Y211-F317 HydrophobicContact CD2-CE2 4.38Å; Y211-F317 HydrophobicContact CE2-CE2 4.15Å; L313-F317 HydrophobicContact CD1-CD2 3.74Å; L313-F317 HydrophobicContact CD1-CE2 3.36Å; L313-F317 HydrophobicContact CD1-CZ 4.08Å; L313-F317 HydrophobicContact CG-CD2 4.43Å; L313-F317 HydrophobicContact CG-CE2 4.42Å; L313-F317 VanDerWaalsContact O-CD2 3.32Å; L313-F317 WeakPolarHBondContact O-CD2 3.41Å; L313-F317 PolarHBondContact O-N 3.18Å; L313-F317 VanDerWaalsContact O-N 3.08Å; F317-S321 VanDerWaalsContact O-CB 3.31Å; F317-S321 WeakPolarHBondContact O-CB 3.27Å; F317-S321 PolarHBondContact O-N 3.34Å; F317-S321 VanDerWaalsContact O-N 3.09Å; F317-S321 PolarHBondContact O-OG 3Å; F317-F331 HydrophobicContact CD1-CD2 4.31Å; F317-F331 HydrophobicContact CD1-CE2 4.4Å; F317-F331 HydrophobicContact CD2-CD2 4.46Å; F317-F331 AromaticContact CD2-CE2 3.99Å; F317-F331 HydrophobicContact CD2-CE2 3.99Å; F317-F331 HydrophobicContact CE1-CE2 4.3Å; F317-F331 AromaticContact CE2-CE2 3.85Å; F317-F331 HydrophobicContact CE2-CE2 3.85Å; F317-F331 HydrophobicContact CG-CD2 4.29Å; F317-F331 HydrophobicContact CG-CE2 4.26Å; F317-F331 HydrophobicContact CZ-CE2 4.02Å; F317-L333 HydrophobicContact CD1-CD2 4.05Å; F317-F405 HydrophobicContact CB-CZ 4.42Å; F317-F405 HydrophobicContact CD1-CE1 4.49Å; F317-F405 AromaticContact CD1-CZ 3.98Å; F317-F405 HydrophobicContact CD1-CZ 3.98Å; F317-F405 HydrophobicContact CE1-CZ 4.49Å; F317-F405 HydrophobicContact CG-CZ 4.2Å; F317-V410 HydrophobicContact CE1-CG2 4.06Å; F317-V410 HydrophobicContact CZ-CG2 4.41Å; F317-L413 HydrophobicContact CE1-CD1 4.48Å; F317-L413 HydrophobicContact CE1-CD2 3.86Å; F317-L413 HydrophobicContact CZ-CD2 3.95Å
318C98.1Very high97.9Very high29 Ų2944.6 Ų44.620%0.19627%0.273CS..Hα-helixtrans-62.5-44.7175.9178.40000111.8S314 N315 D316 S321 S322 P349 C352S314-C318 VanDerWaalsContact O-CB 3.23Å; S314-C318 WeakPolarHBondContact O-CB 3.33Å; S314-C318 PolarHBondContact O-N 2.98Å; N315-C318 PolarHBondContact O-N 2.77Å; D316-C318 VanDerWaalsContact C-N 3.31Å; D316-C318 PolarHBondContact O-N 2.9Å; C318-S321 PolarHBondContact O-OG 3.43Å; C318-S322 PolarHBondContact O-N 3.3Å; C318-P349 HydrophobicContact CB-CG 4.4Å; C318-C352 HydrophobicContact CB-CB 4.01Å
319L98.5Very high97.8Very high66 Ų6641.7 Ų41.735%0.34626%0.256SS..Hα-helixtrans-70.1-45.4-179.5177.167.6000111.8M196 N315 D316 S321 S322 L328M196-L319 HydrophobicContact CE-CD1 4.33Å; M196-L319 HydrophobicContact CE-CD2 3.71Å; M196-L319 HydrophobicContact SD-CD2 4.14Å; N315-L319 WeakPolarHBondContact O-CB 3.3Å; N315-L319 PolarHBondContact O-N 3.45Å; D316-L319 PolarHBondContact O-N 2.57Å; L319-S321 PolarHBondContact O-N 2.99Å; L319-S322 VanDerWaalsContact O-CB 3.26Å; L319-S322 WeakPolarHBondContact O-CB 3.29Å; L319-S322 PolarHBondContact O-N 3.41Å; L319-S322 VanDerWaalsContact O-N 3.11Å; L319-S322 PolarHBondContact O-OG 3.25Å; L319-L328 HydrophobicContact CD1-CD1 4.31Å; L319-L328 HydrophobicContact CD2-CD1 4.33Å; L319-L328 HydrophobicContact CG-CD1 3.86Å
320L98.7Very high97.8Very high7 Ų741.4 Ų41.44%0.03725%0.253CS..Hα-helixtrans-65.8-26-179.9-67.9172.7000112.4K190 D316 L328 S329 E330 F331K190-L320 VanDerWaalsContact NZ-CD2 3.34Å; D316-L320 VanDerWaalsContact O-CB 3.28Å; D316-L320 WeakPolarHBondContact O-CB 3.27Å; D316-L320 WeakPolarHBondContact O-CG 3.42Å; D316-L320 PolarHBondContact O-N 2.8Å; L320-L328 HydrophobicContact CD2-CD1 4.12Å; L320-S329 CarbonylContact O-C 3.52Å; L320-S329 PolarHBondContact O-N 3.44Å; L320-E330 HydrophobicContact CD2-CB 4.46Å; L320-E330 VanDerWaalsContact CD2-OE2 3.31Å; L320-E330 WeakPolarHBondContact CD2-OE2 3.22Å; L320-E330 PolarHBondContact O-N 3.44Å; L320-F331 HydrophobicContact CB-CB 4.03Å; L320-F331 HydrophobicContact CB-CD1 4.03Å; L320-F331 HydrophobicContact CB-CD2 4.02Å; L320-F331 HydrophobicContact CB-CG 3.75Å; L320-F331 HydrophobicContact CD1-CD1 4.22Å; L320-F331 HydrophobicContact CD1-CD2 4.15Å; L320-F331 HydrophobicContact CD1-CE1 3.87Å; L320-F331 HydrophobicContact CD1-CE2 3.81Å; L320-F331 HydrophobicContact CD1-CG 4.36Å; L320-F331 HydrophobicContact CD1-CZ 3.65Å; L320-F331 PolarHBondContact O-N 3.2Å
321S98.1Very high97.8Very high24 Ų2441.5 Ų41.517%0.16825%0.253CS..THydrogen-bonded Turntrans-93.10.3174.662.10000114.8F317 C318 L319 G323 F331 L333F317-S321 VanDerWaalsContact O-CB 3.31Å; F317-S321 WeakPolarHBondContact O-CB 3.27Å; F317-S321 PolarHBondContact O-N 3.34Å; F317-S321 VanDerWaalsContact O-N 3.09Å; F317-S321 PolarHBondContact O-OG 3Å; C318-S321 PolarHBondContact O-OG 3.43Å; L319-S321 PolarHBondContact O-N 2.99Å; S321-G323 PolarHBondContact O-N 3.42Å; S321-F331 WeakPolarHBondContact CA-O 3.41Å; S321-L333 WeakPolarHBondContact OG-CD1 3.46Å
322S98.3Very high97.8Very high39 Ų3943.5 Ų43.527%0.27327%0.267SS..  trans-58127.4176.462.80000110.7C318 L319 G327 L328 S329C318-S322 PolarHBondContact O-N 3.3Å; L319-S322 VanDerWaalsContact O-CB 3.26Å; L319-S322 WeakPolarHBondContact O-CB 3.29Å; L319-S322 PolarHBondContact O-N 3.41Å; L319-S322 VanDerWaalsContact O-N 3.11Å; L319-S322 PolarHBondContact O-OG 3.25Å; S322-G327 CarbonylContact O-C 3.6Å; S322-G327 VanDerWaalsContact O-C 3.27Å; S322-G327 VanDerWaalsContact O-CA 3.29Å; S322-G327 WeakPolarHBondContact O-CA 3.49Å; S322-L328 PolarHBondContact O-N 2.91Å; S322-L328 VanDerWaalsContact O-N 3.08Å; S322-L328 PolarHBondContact OG-N 3.42Å; S322-S329 WeakPolarHBondContact O-CA 3.29Å; S322-S329 PolarHBondContact O-N 3.09Å
323G96.3Very high97.7Very high47 Ų4740.7 Ų40.749%0.48526%0.258SS..  trans165.4-155-170.600000113.7S321S321-G323 PolarHBondContact O-N 3.42Å
324P94.3Very high97.6Very high98 Ų9842 Ų4264%0.63627%0.266SS*.SBendcis-77.3-29.87.528.8-34.4000114S329P324-S329 WeakPolarHBondContact O-CB 3.41Å; P324-S329 PolarHBondContact O-OG 2.94Å
325N94.6Very high97.4Very high149 Ų14945.3 Ų45.380%0.79729%0.294SS*.SBendtrans-110.4-13.9-168.9-63.9-33.9000114.9
326C96.8Very high97.2Very high134 Ų13445.9 Ų45.991%0.90530%0.297SS*.SBendtrans-123.320.4-170.4-58.80000113.1
327G97.3Very high96.8Very high25 Ų2547.9 Ų47.926%0.25831%0.305SS..SBendtrans-138.4-159.7177.200000110.9S322 Y423S322-G327 CarbonylContact O-C 3.6Å; S322-G327 VanDerWaalsContact O-C 3.27Å; S322-G327 VanDerWaalsContact O-CA 3.29Å; S322-G327 WeakPolarHBondContact O-CA 3.49Å; G327-Y423 PolarHBondContact O-OH 3.29Å
328L98.1Very high96.3Very high31 Ų3153.7 Ų53.716%0.16234%0.343CS..  trans-69.9-45.4178.8-63.9-173.6000111.9L319 L320 S322 E330 K419 Y423L319-L328 HydrophobicContact CD1-CD1 4.31Å; L319-L328 HydrophobicContact CD2-CD1 4.33Å; L319-L328 HydrophobicContact CG-CD1 3.86Å; L320-L328 HydrophobicContact CD2-CD1 4.12Å; S322-L328 PolarHBondContact O-N 2.91Å; S322-L328 VanDerWaalsContact O-N 3.08Å; S322-L328 PolarHBondContact OG-N 3.42Å; L328-E330 PolarHBondContact O-N 2.89Å; L328-E330 VanDerWaalsContact O-N 3.16Å; L328-K419 WeakPolarHBondContact O-CG 3.44Å; L328-Y423 VanDerWaalsContact O-CE2 3.27Å; L328-Y423 WeakPolarHBondContact O-CE2 3.4Å; L328-Y423 PolarHBondContact O-OH 3.11Å
329S97.8Very high95.5Very high10 Ų1052.9 Ų52.97%0.0734%0.34CS..  trans51.531.4179.5-171.30000114.4L320 S322 P324 N416L320-S329 CarbonylContact O-C 3.52Å; L320-S329 PolarHBondContact O-N 3.44Å; S322-S329 WeakPolarHBondContact O-CA 3.29Å; S322-S329 PolarHBondContact O-N 3.09Å; P324-S329 WeakPolarHBondContact O-CB 3.41Å; P324-S329 PolarHBondContact O-OG 2.94Å; S329-N416 WeakPolarHBondContact O-CB 3.05Å
330E98.6Very high95.1Very high1 Ų151.2 Ų51.21%0.00533%0.333CS..  trans-75.3-37.6174.7-66.4-177.7-179.400111.2K190 R193 L320 L328 L415 N416 I420 Y423K190-E330 WeakPolarHBondContact CE-OE2 3.33Å; K190-E330 IonicContact NZ-OE2 3.37Å; K190-E330 PolarHBondContact NZ-OE2 3.37Å; R193-E330 IonicContact CZ-OE1 3.82Å; R193-E330 VanDerWaalsContact CZ-OE1 3.25Å; R193-E330 IonicContact NH1-OE1 3.31Å; R193-E330 PolarHBondContact NH1-OE1 3.05Å; R193-E330 IonicContact NH1-OE2 2.72Å; R193-E330 IonicContact NH2-OE1 2.81Å; R193-E330 PolarHBondContact NH2-OE1 3.28Å; L320-E330 HydrophobicContact CD2-CB 4.46Å; L320-E330 VanDerWaalsContact CD2-OE2 3.31Å; L320-E330 WeakPolarHBondContact CD2-OE2 3.22Å; L320-E330 PolarHBondContact O-N 3.44Å; L328-E330 PolarHBondContact O-N 2.89Å; L328-E330 VanDerWaalsContact O-N 3.16Å; E330-L415 WeakPolarHBondContact O-CA 3.48Å; E330-N416 PolarHBondContact O-N 3.21Å; E330-I420 HydrophobicContact CB-CD1 4.26Å; E330-I420 HydrophobicContact CB-CG1 3.84Å; E330-I420 HydrophobicContact CG-CG1 3.9Å; E330-Y423 HydrophobicContact CG-CD2 4.05Å; E330-Y423 HydrophobicContact CG-CE2 3.85Å; E330-Y423 WeakPolarHBondContact OE1-CD2 3.49Å
331F98.5Very high94.7Very high3 Ų357.4 Ų57.41%0.01338%0.377CS..EExtended strand (participates in β ladder)trans-98.9141.2176.8-77.318.4000110.2V204 L208 F317 L320 S321 L333 L413 L415V204-F331 HydrophobicContact CG1-CE1 3.96Å; V204-F331 HydrophobicContact CG1-CZ 4.2Å; L208-F331 HydrophobicContact CD2-CZ 4.45Å; F317-F331 HydrophobicContact CD1-CD2 4.31Å; F317-F331 HydrophobicContact CD1-CE2 4.4Å; F317-F331 HydrophobicContact CD2-CD2 4.46Å; F317-F331 AromaticContact CD2-CE2 3.99Å; F317-F331 HydrophobicContact CD2-CE2 3.99Å; F317-F331 HydrophobicContact CE1-CE2 4.3Å; F317-F331 AromaticContact CE2-CE2 3.85Å; F317-F331 HydrophobicContact CE2-CE2 3.85Å; F317-F331 HydrophobicContact CG-CD2 4.29Å; F317-F331 HydrophobicContact CG-CE2 4.26Å; F317-F331 HydrophobicContact CZ-CE2 4.02Å; L320-F331 HydrophobicContact CB-CB 4.03Å; L320-F331 HydrophobicContact CB-CD1 4.03Å; L320-F331 HydrophobicContact CB-CD2 4.02Å; L320-F331 HydrophobicContact CB-CG 3.75Å; L320-F331 HydrophobicContact CD1-CD1 4.22Å; L320-F331 HydrophobicContact CD1-CD2 4.15Å; L320-F331 HydrophobicContact CD1-CE1 3.87Å; L320-F331 HydrophobicContact CD1-CE2 3.81Å; L320-F331 HydrophobicContact CD1-CG 4.36Å; L320-F331 HydrophobicContact CD1-CZ 3.65Å; L320-F331 PolarHBondContact O-N 3.2Å; S321-F331 WeakPolarHBondContact CA-O 3.41Å; F331-L333 HydrophobicContact CB-CD2 4.48Å; F331-L413 HydrophobicContact CB-CD1 3.93Å; F331-L413 HydrophobicContact CD2-CD1 3.55Å; F331-L413 HydrophobicContact CD2-CD2 4.05Å; F331-L413 HydrophobicContact CD2-CG 4.44Å; F331-L413 HydrophobicContact CE2-CD1 4.18Å; F331-L413 HydrophobicContact CE2-CD2 3.8Å; F331-L413 HydrophobicContact CG-CD1 3.8Å; F331-L413 HydrophobicContact CZ-CD2 4.26Å; F331-L415 HydrophobicContact CD1-CD2 3.57Å; F331-L415 HydrophobicContact CE1-CD2 3.63Å; F331-L415 HydrophobicContact CG-CD2 4.47Å
332V98Very high94.6Very high69 Ų6963 Ų6342%0.41840%0.404SS..EExtended strand (participates in β ladder)trans-116.6106.5170.7-1780000107.1Q414 N416V332-Q414 HydrophobicContact CB-CB 4.12Å; V332-Q414 PolarHBondContact N-O 2.89Å; V332-Q414 PolarHBondContact O-N 3.47Å; V332-N416 HydrophobicContact CG2-CB 4.06Å
333L97.4Very high94.3Very high25 Ų2565.8 Ų65.813%0.13141%0.414CS..  trans-84.4150.1179.9-57-174.2000110.8F317 S321 F331 P349 L413F317-L333 HydrophobicContact CD1-CD2 4.05Å; S321-L333 WeakPolarHBondContact OG-CD1 3.46Å; F331-L333 HydrophobicContact CB-CD2 4.48Å; L333-P349 HydrophobicContact CD1-CB 3.75Å; L333-L413 HydrophobicContact CD2-CD1 3.64Å
334P96.4Very high93.9Very high28 Ų2869.6 Ų69.618%0.18243%0.43CS..  trans-60.8138.5175.325.9-35.9000111.9N336 K408 D412P334-N336 PolarHBondContact O-N 3.42Å; P334-K408 WeakPolarHBondContact CG-O 3.08Å; P334-D412 HydrophobicContact CB-CB 4.24Å; P334-D412 HydrophobicContact CG-CB 4.34Å
335A94.1Very high93.7Very high71 Ų7168.8 Ų68.859%0.58744%0.44SS*.  trans-88.898176.800000110.5V347A335-V347 HydrophobicContact CB-CB 4.34Å; A335-V347 HydrophobicContact CB-CG1 3.7Å; A335-V347 HydrophobicContact CB-CG2 3.61Å
336N93.3Very high93.6Very high69 Ų6966 Ų6637%0.36942%0.421SS..  trans-87.7-28.2-176.9-64.7-57.4000113.3P334 K408P334-N336 PolarHBondContact O-N 3.42Å; N336-K408 PolarHBondContact ND2-O 2.94Å
337E91.8Very high93.5Very high80 Ų8063 Ų6337%0.37440%0.398SS..SBendtrans-148.5158.9179.353-85.9175.600111.6G339 T350E337-G339 PolarHBondContact O-N 2.88Å; E337-T350 HydrophobicContact CG-CG2 4.46Å; E337-T350 WeakPolarHBondContact OE1-CB 3.36Å; E337-T350 WeakPolarHBondContact OE1-CG2 3.39Å; E337-T350 PolarHBondContact OE1-OG1 3.47Å
338P87Confident93.4Very high122 Ų12263.8 Ų63.879%0.79240%0.396SS*.  trans-58.9119.7171.9-21.833.3000110.9S340P338-S340 VanDerWaalsContact C-N 3.27Å; P338-S340 PolarHBondContact O-N 2.93Å
339G82.1Confident93.4Very high12 Ų1263.6 Ų63.612%0.12440%0.397CS..SBendtrans-77.2-7.9-173.800000114.8E337 K346 N348E337-G339 PolarHBondContact O-N 2.88Å; G339-K346 WeakPolarHBondContact CA-O 3.35Å; G339-K346 PolarHBondContact N-O 2.98Å; G339-N348 PolarHBondContact O-ND2 3.31Å
340S89.7Confident93.4Very high31 Ų3164.5 Ų64.522%0.21740%0.402CS..  trans-159.8141177.7-173.70000111.9P338 I342 M343P338-S340 VanDerWaalsContact C-N 3.27Å; P338-S340 PolarHBondContact O-N 2.93Å; S340-I342 VanDerWaalsContact C-N 3.27Å; S340-I342 PolarHBondContact O-N 3.44Å; S340-I342 PolarHBondContact OG-N 3.4Å; S340-M343 PolarHBondContact OG-N 3.29Å; S340-M343 VanDerWaalsContact OG-N 3.15Å
341S91.2Very high93.4Very high137 Ų13766 Ų6696%0.95841%0.409SS*.SBendtrans-70.6-21.3171.154.10000113.5
342I94.4Very high93.4Very high142 Ų14265.8 Ų65.873%0.72841%0.408SS*.SBendtrans-116.3-23.9-173.8-162.3171.4000113.7S340 P344S340-I342 VanDerWaalsContact C-N 3.27Å; S340-I342 PolarHBondContact O-N 3.44Å; S340-I342 PolarHBondContact OG-N 3.4Å; I342-P344 WeakPolarHBondContact O-CD 3.34Å
343M93.5Very high93.4Very high97 Ų9766.2 Ų66.248%0.47841%0.406SS..SBendtrans-10687.7178.3-67.3176.6-78.300110.4S340 G345 K346S340-M343 PolarHBondContact OG-N 3.29Å; S340-M343 VanDerWaalsContact OG-N 3.15Å; M343-G345 PolarHBondContact O-N 2.86Å; M343-K346 HydrophobicContact CB-CB 4.03Å; M343-K346 HydrophobicContact CB-CD 4.29Å; M343-K346 HydrophobicContact CE-CD 3.53Å; M343-K346 WeakPolarHBondContact O-CB 3.29Å; M343-K346 PolarHBondContact O-N 3.46Å; M343-K346 HydrophobicContact SD-CD 3.97Å
344P87.7Confident93.5Very high127 Ų12767.5 Ų67.583%0.82542%0.416SS*.THydrogen-bonded Turntrans-59.2137.9179.625.4-34.3000110.9I342 K346I342-P344 WeakPolarHBondContact O-CD 3.34Å; P344-K346 VanDerWaalsContact C-N 3.3Å; P344-K346 PolarHBondContact O-N 2.92Å
345G88.8Confident93.6Very high82 Ų8266.2 Ų66.285%0.84541%0.408SS*.THydrogen-bonded Turntrans82.8-6.7-179.100000115.3M343M343-G345 PolarHBondContact O-N 2.86Å
346K93.6Very high93.8Very high90 Ų9066.7 Ų66.739%0.39140%0.395SS..  trans-69.5132.3173.4-172.3178.6-175.8-111.40110.6G339 M343 P344 N348G339-K346 WeakPolarHBondContact CA-O 3.35Å; G339-K346 PolarHBondContact N-O 2.98Å; M343-K346 HydrophobicContact CB-CB 4.03Å; M343-K346 HydrophobicContact CB-CD 4.29Å; M343-K346 HydrophobicContact CE-CD 3.53Å; M343-K346 WeakPolarHBondContact O-CB 3.29Å; M343-K346 PolarHBondContact O-N 3.46Å; M343-K346 HydrophobicContact SD-CD 3.97Å; P344-K346 VanDerWaalsContact C-N 3.3Å; P344-K346 PolarHBondContact O-N 2.92Å; K346-N348 WeakPolarHBondContact CE-OD1 3.45Å; K346-N348 PolarHBondContact NZ-OD1 2.77Å
347V93.6Very high94Very high71 Ų7169.5 Ų69.543%0.4341%0.407SS..  trans-116129.8174.2-177.80000108.5A335A335-V347 HydrophobicContact CB-CB 4.34Å; A335-V347 HydrophobicContact CB-CG1 3.7Å; A335-V347 HydrophobicContact CB-CG2 3.61Å
348N96.8Very high94.4Very high41 Ų4166.5 Ų66.522%0.21939%0.394CS..  trans-103.6150.8177-62.9-20.2000110.5G339 K346 T350G339-N348 PolarHBondContact O-ND2 3.31Å; K346-N348 WeakPolarHBondContact CE-OD1 3.45Å; K346-N348 PolarHBondContact NZ-OD1 2.77Å; N348-T350 HydrophobicContact CB-CG2 3.92Å; N348-T350 PolarHBondContact O-N 3.5Å
349P97.4Very high94.9Very high27 Ų2760.7 Ų60.718%0.17536%0.357CS..  trans-79.455.9175.836.2-37.5000111.6C318 L333 Q351 C352 E353C318-P349 HydrophobicContact CB-CG 4.4Å; L333-P349 HydrophobicContact CD1-CB 3.75Å; P349-Q351 VanDerWaalsContact C-N 3.27Å; P349-Q351 PolarHBondContact O-N 3.45Å; P349-C352 HydrophobicContact CB-CB 4.14Å; P349-C352 WeakPolarHBondContact O-CA 3.46Å; P349-C352 VanDerWaalsContact O-CB 3.24Å; P349-C352 WeakPolarHBondContact O-CB 3.22Å; P349-C352 PolarHBondContact O-N 2.93Å; P349-E353 PolarHBondContact O-N 3.4Å; P349-E353 VanDerWaalsContact O-N 3.11Å
350T97.8Very high95.7Very high30 Ų3065 Ų6518%0.18438%0.376CS..Hα-helixtrans-59.5-32.5-170.955.20000114.1E337 N348 C352 E353 S354E337-T350 HydrophobicContact CG-CG2 4.46Å; E337-T350 WeakPolarHBondContact OE1-CB 3.36Å; E337-T350 WeakPolarHBondContact OE1-CG2 3.39Å; E337-T350 PolarHBondContact OE1-OG1 3.47Å; N348-T350 HydrophobicContact CB-CG2 3.92Å; N348-T350 PolarHBondContact O-N 3.5Å; T350-C352 VanDerWaalsContact C-N 3.32Å; T350-C352 PolarHBondContact O-N 3Å; T350-E353 WeakPolarHBondContact O-CB 3.33Å; T350-E353 PolarHBondContact O-N 2.95Å; T350-S354 WeakPolarHBondContact O-CB 3.49Å; T350-S354 PolarHBondContact O-N 3.25Å
351Q98.2Very high96.2Very high31 Ų3167.9 Ų67.915%0.14539%0.386CS..Hα-helixtrans-67-34.7174.6-61.6-59.3-38.800111.7P349 L355 C404 F405 K408 C409P349-Q351 VanDerWaalsContact C-N 3.27Å; P349-Q351 PolarHBondContact O-N 3.45Å; Q351-L355 WeakPolarHBondContact O-CB 3.16Å; Q351-L355 PolarHBondContact O-N 2.96Å; Q351-C404 PolarHBondContact OE1-SG 3.28Å; Q351-F405 HydrophobicContact CB-CD2 3.95Å; Q351-F405 HydrophobicContact CB-CE2 4.33Å; Q351-K408 HydrophobicContact CG-CB 3.9Å; Q351-C409 HydrophobicContact CB-CB 3.87Å; Q351-C409 HydrophobicContact CG-CB 4.27Å
352C98.4Very high96.5Very high0 Ų061.4 Ų61.40%034%0.341CS..Hα-helixtrans-67.7-40.4172.2-58.50000111.1C318 P349 T350 L355 R356 F405C318-C352 HydrophobicContact CB-CB 4.01Å; P349-C352 HydrophobicContact CB-CB 4.14Å; P349-C352 WeakPolarHBondContact O-CA 3.46Å; P349-C352 VanDerWaalsContact O-CB 3.24Å; P349-C352 WeakPolarHBondContact O-CB 3.22Å; P349-C352 PolarHBondContact O-N 2.93Å; T350-C352 VanDerWaalsContact C-N 3.32Å; T350-C352 PolarHBondContact O-N 3Å; C352-L355 PolarHBondContact O-N 2.91Å; C352-R356 WeakPolarHBondContact O-CB 3.45Å; C352-R356 PolarHBondContact O-N 3.08Å; C352-F405 HydrophobicContact CB-CE2 4.47Å
353E98.4Very high96.8Very high78 Ų7857.1 Ų57.136%0.36432%0.318SS..Hα-helixtrans-63.9-46.1177.9-64.6165.8-171.300111.5P349 T350 R356 M357P349-E353 PolarHBondContact O-N 3.4Å; P349-E353 VanDerWaalsContact O-N 3.11Å; T350-E353 WeakPolarHBondContact O-CB 3.33Å; T350-E353 PolarHBondContact O-N 2.95Å; E353-R356 WeakPolarHBondContact O-CB 3.3Å; E353-R356 PolarHBondContact O-N 3.48Å; E353-M357 WeakPolarHBondContact O-CG 3.38Å; E353-M357 PolarHBondContact O-N 3.42Å
354S98.5Very high97Very high51 Ų5154 Ų5436%0.35731%0.311SS..Hα-helixtrans-58.9-50.6174.9-177.60000111.5T350 R356 M357 V358T350-S354 WeakPolarHBondContact O-CB 3.49Å; T350-S354 PolarHBondContact O-N 3.25Å; S354-R356 VanDerWaalsContact C-N 3.3Å; S354-R356 PolarHBondContact O-N 3.46Å; S354-M357 PolarHBondContact O-N 3.42Å; S354-M357 VanDerWaalsContact O-N 3.16Å; S354-V358 WeakPolarHBondContact O-CG2 3.35Å; S354-V358 PolarHBondContact O-N 2.83Å
355L98.8Very high97.5Very high2 Ų248.1 Ų48.11%0.0127%0.273CS..Hα-helixtrans-60.5-39.5178.6-175.858.7000111.8L310 Q351 C352 V358 C359 F405L310-L355 HydrophobicContact CB-CD1 4.29Å; L310-L355 HydrophobicContact CB-CD2 4.41Å; L310-L355 HydrophobicContact CB-CG 4.47Å; L310-L355 HydrophobicContact CD1-CD1 4.38Å; L310-L355 HydrophobicContact CD2-CD2 4.36Å; Q351-L355 WeakPolarHBondContact O-CB 3.16Å; Q351-L355 PolarHBondContact O-N 2.96Å; C352-L355 PolarHBondContact O-N 2.91Å; L355-V358 PolarHBondContact O-N 3.04Å; L355-C359 PolarHBondContact O-N 3.46Å; L355-C359 PolarHBondContact O-SG 3.47Å; L355-F405 HydrophobicContact CB-CD2 4.24Å; L355-F405 HydrophobicContact CD2-CB 4.24Å; L355-F405 HydrophobicContact CD2-CD1 3.88Å; L355-F405 HydrophobicContact CD2-CD2 3.84Å; L355-F405 HydrophobicContact CD2-CE1 4.18Å; L355-F405 HydrophobicContact CD2-CE2 4.14Å; L355-F405 HydrophobicContact CD2-CG 3.71Å; L355-F405 HydrophobicContact CD2-CZ 4.3Å
356R98.5Very high98Very high81 Ų8146 Ų4631%0.30624%0.241SC..Hα-helixtrans-59.6-48.2174.5176.1-178.1-58.7148.65.6111.9M311 N315 C352 E353 S354 V358 C359 L360M311-R356 HydrophobicContact CE-CG 3.87Å; M311-R356 WeakPolarHBondContact CE-O 3.42Å; M311-R356 HydrophobicContact SD-CB 4.17Å; M311-R356 HydrophobicContact SD-CG 3.66Å; N315-R356 VanDerWaalsContact OD1-CZ 3.27Å; N315-R356 PolarHBondContact OD1-NE 3.32Å; N315-R356 PolarHBondContact OD1-NH2 3.2Å; C352-R356 WeakPolarHBondContact O-CB 3.45Å; C352-R356 PolarHBondContact O-N 3.08Å; E353-R356 WeakPolarHBondContact O-CB 3.3Å; E353-R356 PolarHBondContact O-N 3.48Å; S354-R356 VanDerWaalsContact C-N 3.3Å; S354-R356 PolarHBondContact O-N 3.46Å; R356-V358 VanDerWaalsContact C-N 3.3Å; R356-V358 PolarHBondContact O-N 3.36Å; R356-C359 PolarHBondContact O-N 3.24Å; R356-L360 WeakPolarHBondContact O-CG 3.49Å; R356-L360 PolarHBondContact O-N 2.65Å; R356-L360 VanDerWaalsContact O-N 3.1Å
357M98.8Very high98.3Very high128 Ų12848.2 Ų48.263%0.63125%0.25SS*.Hα-helixtrans-60.4-43178-70-172.5-66.600111.4E353 S354 L360 Q361E353-M357 WeakPolarHBondContact O-CG 3.38Å; E353-M357 PolarHBondContact O-N 3.42Å; S354-M357 PolarHBondContact O-N 3.42Å; S354-M357 VanDerWaalsContact O-N 3.16Å; M357-L360 PolarHBondContact O-N 3.25Å; M357-Q361 PolarHBondContact O-N 3.03Å
358V98.9Very high98.5Very high17 Ų1747.1 Ų47.110%0.10324%0.244CC..Hα-helixtrans-60.1-47176.2167.90000111.6S354 L355 R356 L360 Q361 I362 L397S354-V358 WeakPolarHBondContact O-CG2 3.35Å; S354-V358 PolarHBondContact O-N 2.83Å; L355-V358 PolarHBondContact O-N 3.04Å; R356-V358 VanDerWaalsContact C-N 3.3Å; R356-V358 PolarHBondContact O-N 3.36Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 2.8Å; V358-Q361 PolarHBondContact O-N 3.42Å; V358-Q361 VanDerWaalsContact O-N 3.14Å; V358-I362 HydrophobicContact CG1-CD1 3.71Å; V358-I362 HydrophobicContact CG1-CG1 4.35Å; V358-I362 VanDerWaalsContact O-CG1 3.32Å; V358-I362 WeakPolarHBondContact O-CG1 3.13Å; V358-I362 PolarHBondContact O-N 3.44Å; V358-L397 HydrophobicContact CG1-CB 3.84Å; V358-L397 HydrophobicContact CG2-CD2 4.23Å
359C98.9Very high98.6Very high0 Ų045.1 Ų45.10%023%0.234CC..Hα-helixtrans-58.9-41.8178.2-68.60000112.1A307 L310 M311 L355 R356 I362 M363A307-C359 HydrophobicContact CB-CB 4.16Å; A307-C359 PolarHBondContact O-SG 2.91Å; A307-C359 VanDerWaalsContact O-SG 3.34Å; L310-C359 VanDerWaalsContact CB-SG 3.52Å; M311-C359 HydrophobicContact CB-CB 4.18Å; M311-C359 HydrophobicContact CE-CB 3.55Å; L355-C359 PolarHBondContact O-N 3.46Å; L355-C359 PolarHBondContact O-SG 3.47Å; R356-C359 PolarHBondContact O-N 3.24Å; C359-I362 PolarHBondContact O-N 3.32Å; C359-M363 HydrophobicContact CB-CE 4.49Å; C359-M363 VanDerWaalsContact O-CG 3.28Å; C359-M363 WeakPolarHBondContact O-CG 3.19Å; C359-M363 PolarHBondContact O-N 3.49Å; C359-M363 VanDerWaalsContact O-N 3.13Å
360L98.9Very high98.7Very high101 Ų10145.6 Ų45.653%0.52924%0.237SC..Hα-helixtrans-64-41.3175.8-67171.8000111.9M311 R356 M357 V358 I362 M363 G364M311-L360 HydrophobicContact CE-CD2 3.81Å; M311-L360 HydrophobicContact CE-CG 3.74Å; R356-L360 WeakPolarHBondContact O-CG 3.49Å; R356-L360 PolarHBondContact O-N 2.65Å; R356-L360 VanDerWaalsContact O-N 3.1Å; M357-L360 PolarHBondContact O-N 3.25Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 2.8Å; L360-I362 PolarHBondContact O-N 2.95Å; L360-M363 HydrophobicContact CD2-SD 4.49Å; L360-M363 PolarHBondContact O-N 3.46Å; L360-G364 PolarHBondContact O-N 3.22Å
361Q98.9Very high98.7Very high92 Ų9248.7 Ų48.743%0.4325%0.251SS..Hα-helixtrans-62.8-42.1177.1-172.860.352.500111.7M357 V358 M363 G364 N365 L397M357-Q361 PolarHBondContact O-N 3.03Å; V358-Q361 PolarHBondContact O-N 3.42Å; V358-Q361 VanDerWaalsContact O-N 3.14Å; Q361-M363 VanDerWaalsContact C-N 3.32Å; Q361-M363 PolarHBondContact O-N 3.3Å; Q361-G364 PolarHBondContact O-N 2.89Å; Q361-N365 PolarHBondContact NE2-OD1 3.47Å; Q361-N365 VanDerWaalsContact O-CG 3.22Å; Q361-N365 PolarHBondContact O-N 2.9Å; Q361-N365 PolarHBondContact O-OD1 3.45Å; Q361-L397 HydrophobicContact CB-CD1 4.06Å; Q361-L397 HydrophobicContact CG-CD1 3.69Å
362I98.9Very high98.8Very high2 Ų247.4 Ų47.41%0.0125%0.246CC..Hα-helixtrans-61.4-41.2176.8-66.3165.7000111F303 A307 V358 C359 L360 G364 N365 H366 T394 L397 L398F303-I362 HydrophobicContact CB-CG2 4.34Å; A307-I362 HydrophobicContact CB-CB 4.02Å; A307-I362 HydrophobicContact CB-CD1 4.4Å; A307-I362 HydrophobicContact CB-CG2 3.83Å; V358-I362 HydrophobicContact CG1-CD1 3.71Å; V358-I362 HydrophobicContact CG1-CG1 4.35Å; V358-I362 VanDerWaalsContact O-CG1 3.32Å; V358-I362 WeakPolarHBondContact O-CG1 3.13Å; V358-I362 PolarHBondContact O-N 3.44Å; C359-I362 PolarHBondContact O-N 3.32Å; L360-I362 PolarHBondContact O-N 2.95Å; I362-G364 VanDerWaalsContact C-N 3.34Å; I362-G364 PolarHBondContact O-N 3.27Å; I362-N365 PolarHBondContact O-N 3.36Å; I362-H366 PolarHBondContact O-N 2.91Å; I362-T394 HydrophobicContact CB-CG2 4.48Å; I362-T394 HydrophobicContact CG1-CG2 4.1Å; I362-T394 HydrophobicContact CG2-CG2 3.8Å; I362-L397 HydrophobicContact CG1-CB 4.46Å; I362-L397 HydrophobicContact CG1-CD1 4.33Å; I362-L398 HydrophobicContact CD1-CD2 3.58Å; I362-L398 HydrophobicContact CD1-CG 3.67Å
363M98.9Very high98.8Very high51 Ų5147.9 Ų47.925%0.25125%0.249SC..Hα-helixtrans-63-40.4175.8-65.2170.2-169.300111.6N304 A307 T308 C359 L360 Q361 H366 F367N304-M363 WeakPolarHBondContact OD1-CG 3.4Å; A307-M363 HydrophobicContact CB-CE 4.04Å; A307-M363 HydrophobicContact CB-CG 4.43Å; T308-M363 HydrophobicContact CG2-CE 3.82Å; C359-M363 HydrophobicContact CB-CE 4.49Å; C359-M363 VanDerWaalsContact O-CG 3.28Å; C359-M363 WeakPolarHBondContact O-CG 3.19Å; C359-M363 PolarHBondContact O-N 3.49Å; C359-M363 VanDerWaalsContact O-N 3.13Å; L360-M363 HydrophobicContact CD2-SD 4.49Å; L360-M363 PolarHBondContact O-N 3.46Å; Q361-M363 VanDerWaalsContact C-N 3.32Å; Q361-M363 PolarHBondContact O-N 3.3Å; M363-H366 PolarHBondContact O-N 3.41Å; M363-F367 PolarHBondContact O-N 3.37Å
364G98.9Very high98.8Very high31 Ų3147.8 Ų47.832%0.3226%0.258SS..Hα-helixtrans-65.1-41.5173.900000113.2L360 Q361 I362 H366 F367 T368L360-G364 PolarHBondContact O-N 3.22Å; Q361-G364 PolarHBondContact O-N 2.89Å; I362-G364 VanDerWaalsContact C-N 3.34Å; I362-G364 PolarHBondContact O-N 3.27Å; G364-H366 VanDerWaalsContact C-N 3.3Å; G364-H366 PolarHBondContact O-N 3.21Å; G364-F367 PolarHBondContact O-N 2.95Å; G364-T368 PolarHBondContact O-N 3.03Å; G364-T368 PolarHBondContact O-OG1 3.23Å; G364-T368 VanDerWaalsContact O-OG1 3.04Å
365N98.9Very high98.8Very high5 Ų550.2 Ų50.23%0.02726%0.263CS..Hα-helixtrans-62-40.5174.6-67.3-2.2000110.8Q361 I362 T368 T369 N390 T394Q361-N365 PolarHBondContact NE2-OD1 3.47Å; Q361-N365 VanDerWaalsContact O-CG 3.22Å; Q361-N365 PolarHBondContact O-N 2.9Å; Q361-N365 PolarHBondContact O-OD1 3.45Å; I362-N365 PolarHBondContact O-N 3.36Å; N365-T368 PolarHBondContact O-N 3.07Å; N365-T369 WeakPolarHBondContact O-CB 3Å; N365-T369 PolarHBondContact O-N 2.86Å; N365-T369 PolarHBondContact O-OG1 3.02Å; N365-N390 WeakPolarHBondContact CA-OD1 3.34Å; N365-N390 HydrophobicContact CB-CB 4.17Å; N365-N390 PolarHBondContact OD1-OD1 3.11Å; N365-T394 WeakPolarHBondContact CB-OG1 3.37Å; N365-T394 PolarHBondContact ND2-OG1 3.19Å
366H98.9Very high98.7Very high38 Ų3851.8 Ų51.818%0.17628%0.28CS..Hα-helixtrans-62.6-47.4175.6176.858.3000111.7S300 N304 I362 M363 G364 T368 T369 S370S300-H366 WeakPolarHBondContact CB-ND1 3.08Å; S300-H366 PolarHBondContact O-ND1 3.18Å; S300-H366 PolarHBondContact OG-ND1 3.22Å; N304-H366 HydrophobicContact CB-CB 3.98Å; I362-H366 PolarHBondContact O-N 2.91Å; M363-H366 PolarHBondContact O-N 3.41Å; G364-H366 VanDerWaalsContact C-N 3.3Å; G364-H366 PolarHBondContact O-N 3.21Å; H366-T368 VanDerWaalsContact C-N 3.32Å; H366-T368 PolarHBondContact O-N 3.37Å; H366-T369 PolarHBondContact O-N 2.53Å; H366-T369 VanDerWaalsContact O-N 3.16Å; H366-S370 PolarHBondContact CE1-OG 2.89Å; H366-S370 PolarHBondContact O-N 3.05Å; H366-S370 PolarHBondContact O-OG 3.47Å; H366-S370 VanDerWaalsContact O-OG 3.06Å
367F98.9Very high98.7Very high135 Ų13554.6 Ų54.659%0.59230%0.297SS*.Hα-helixtrans-56.5-48.1176177.8-97.8000111.7M363 G364 T369 S370 M371M363-F367 PolarHBondContact O-N 3.37Å; G364-F367 PolarHBondContact O-N 2.95Å; F367-T369 VanDerWaalsContact C-N 3.31Å; F367-T369 PolarHBondContact O-N 2.84Å; F367-S370 PolarHBondContact O-N 3.43Å; F367-M371 HydrophobicContact CD1-CG 4.34Å; F367-M371 HydrophobicContact CE1-CG 3.88Å; F367-M371 HydrophobicContact CE2-CG 4.27Å; F367-M371 HydrophobicContact CE2-SD 4.42Å; F367-M371 HydrophobicContact CZ-CG 3.84Å; F367-M371 HydrophobicContact CZ-SD 4.19Å; F367-M371 WeakPolarHBondContact O-CG 3.35Å; F367-M371 PolarHBondContact O-N 3.46Å
368T98.9Very high98.7Very high48 Ų4855.7 Ų55.729%0.29430%0.304SS..Hα-helixtrans-60.8-41.7177.9-57.10000111.5G364 N365 H366 M371 A372 L386G364-T368 PolarHBondContact O-N 3.03Å; G364-T368 PolarHBondContact O-OG1 3.23Å; G364-T368 VanDerWaalsContact O-OG1 3.04Å; N365-T368 PolarHBondContact O-N 3.07Å; H366-T368 VanDerWaalsContact C-N 3.32Å; H366-T368 PolarHBondContact O-N 3.37Å; T368-M371 PolarHBondContact O-N 3.07Å; T368-A372 VanDerWaalsContact O-CB 3.31Å; T368-A372 WeakPolarHBondContact O-CB 3.41Å; T368-A372 PolarHBondContact O-N 3.24Å; T368-L386 HydrophobicContact CG2-CD1 3.91Å; T368-L386 HydrophobicContact CG2-CD2 3.95Å; T368-L386 HydrophobicContact CG2-CG 4.04Å
369T98.9Very high98.7Very high0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-64.2-43.5177.4-58.10000111.7L297 N365 H366 F367 A372 A373 I387 L391L297-T369 HydrophobicContact CD1-CG2 4.44Å; N365-T369 WeakPolarHBondContact O-CB 3Å; N365-T369 PolarHBondContact O-N 2.86Å; N365-T369 PolarHBondContact O-OG1 3.02Å; H366-T369 PolarHBondContact O-N 2.53Å; H366-T369 VanDerWaalsContact O-N 3.16Å; F367-T369 VanDerWaalsContact C-N 3.31Å; F367-T369 PolarHBondContact O-N 2.84Å; T369-A372 PolarHBondContact O-N 3.31Å; T369-A373 VanDerWaalsContact O-CB 3.3Å; T369-A373 WeakPolarHBondContact O-CB 3.31Å; T369-A373 PolarHBondContact O-N 3.5Å; T369-I387 HydrophobicContact CG2-CG2 4.26Å; T369-L391 HydrophobicContact CG2-CD1 4.44Å; T369-L391 HydrophobicContact CG2-CG 4.49Å
370S98.8Very high98.7Very high36 Ų3660.9 Ų60.925%0.25233%0.328SS..Hα-helixtrans-59.9-46.3175.6-62.90000111.8L297 H366 F367 S374L297-S370 VanDerWaalsContact CD1-OG 3.3Å; L297-S370 WeakPolarHBondContact CD1-OG 3.38Å; H366-S370 PolarHBondContact CE1-OG 2.89Å; H366-S370 PolarHBondContact O-N 3.05Å; H366-S370 PolarHBondContact O-OG 3.47Å; H366-S370 VanDerWaalsContact O-OG 3.06Å; F367-S370 PolarHBondContact O-N 3.43Å; S370-S374 PolarHBondContact O-N 3.01Å
371M98.8Very high98.7Very high95 Ų9556.1 Ų56.147%0.46830%0.303SS..Hα-helixtrans-61.6-50.2175.5-67.2-54.9-61.100110.7F367 T368 A373 S374 Q375F367-M371 HydrophobicContact CD1-CG 4.34Å; F367-M371 HydrophobicContact CE1-CG 3.88Å; F367-M371 HydrophobicContact CE2-CG 4.27Å; F367-M371 HydrophobicContact CE2-SD 4.42Å; F367-M371 HydrophobicContact CZ-CG 3.84Å; F367-M371 HydrophobicContact CZ-SD 4.19Å; F367-M371 WeakPolarHBondContact O-CG 3.35Å; F367-M371 PolarHBondContact O-N 3.46Å; T368-M371 PolarHBondContact O-N 3.07Å; M371-A373 PolarHBondContact O-N 3.34Å; M371-S374 PolarHBondContact O-N 2.81Å; M371-S374 PolarHBondContact O-OG 2.91Å; M371-Q375 WeakPolarHBondContact O-CG 3.2Å
372A98.8Very high98.7Very high5 Ų554.9 Ų54.94%0.04130%0.302CS..Hα-helixtrans-60-41.4-18000000113.5T368 T369 S374 Q375 N381 C383 L386 I387T368-A372 VanDerWaalsContact O-CB 3.31Å; T368-A372 WeakPolarHBondContact O-CB 3.41Å; T368-A372 PolarHBondContact O-N 3.24Å; T369-A372 PolarHBondContact O-N 3.31Å; A372-S374 VanDerWaalsContact C-N 3.3Å; A372-S374 PolarHBondContact O-N 3.12Å; A372-Q375 PolarHBondContact O-N 3.07Å; A372-N381 PolarHBondContact O-ND2 2.98Å; A372-C383 HydrophobicContact CB-CB 3.8Å; A372-L386 HydrophobicContact CB-CD2 4.03Å; A372-L386 HydrophobicContact CB-CG 4.4Å; A372-I387 HydrophobicContact CB-CD1 4.15Å; A372-I387 HydrophobicContact CB-CG1 3.63Å
373A98.4Very high98.7Very high9 Ų956.3 Ų56.37%0.07431%0.311CS..Hα-helixtrans-64.1-35.8178.100000111.9L297 T369 M371 Q375 N381L297-A373 HydrophobicContact CB-CB 4.32Å; L297-A373 HydrophobicContact CD2-CB 4.03Å; T369-A373 VanDerWaalsContact O-CB 3.3Å; T369-A373 WeakPolarHBondContact O-CB 3.31Å; T369-A373 PolarHBondContact O-N 3.5Å; M371-A373 PolarHBondContact O-N 3.34Å; A373-Q375 PolarHBondContact O-N 2.82Å; A373-N381 PolarHBondContact O-ND2 3.44Å; A373-N381 VanDerWaalsContact O-ND2 3.1Å
374S98.4Very high98.7Very high77 Ų7753.9 Ų53.954%0.53830%0.3SS..Hα-helixtrans-69.3-13.5178.774.90000115S370 M371 A372 G376S370-S374 PolarHBondContact O-N 3.01Å; M371-S374 PolarHBondContact O-N 2.81Å; M371-S374 PolarHBondContact O-OG 2.91Å; A372-S374 VanDerWaalsContact C-N 3.3Å; A372-S374 PolarHBondContact O-N 3.12Å; S374-G376 VanDerWaalsContact C-N 3.28Å; S374-G376 PolarHBondContact O-N 2.79Å
375Q98.4Very high98.7Very high101 Ų10152.6 Ų52.647%0.47229%0.286SS..THydrogen-bonded Turntrans-89.122.6-174.9-57.5-53.9-70.400114M371 A372 A373M371-Q375 WeakPolarHBondContact O-CG 3.2Å; A372-Q375 PolarHBondContact O-N 3.07Å; A373-Q375 PolarHBondContact O-N 2.82Å
376G98.2Very high98.7Very high36 Ų3654.4 Ų54.437%0.37130%0.295SS..  trans-61.3134.9173.400000111.6S374 N381S374-G376 VanDerWaalsContact C-N 3.28Å; S374-G376 PolarHBondContact O-N 2.79Å; G376-N381 PolarHBondContact N-ND2 3.05Å
377Q98.5Very high98.7Very high140 Ų14052.7 Ų52.765%0.65429%0.287SS*.BIsolated β-bridgetrans-129.6115.5176.7-68.7-178.6-28.100109.5E379 L380Q377-E379 PolarHBondContact O-N 3.16Å; Q377-L380 PolarHBondContact N-O 3.32Å; Q377-L380 PolarHBondContact O-N 3.25Å
378L98.1Very high98.7Very high150 Ų15046.2 Ų46.279%0.78526%0.259SS*.THydrogen-bonded Turntrans52.2-124.8-178.9-53.1174.8000110.8A291 L380A291-L378 VanDerWaalsContact CB-O 3.28Å; A291-L378 WeakPolarHBondContact CB-O 3.39Å; L378-L380 VanDerWaalsContact C-N 3.31Å; L378-L380 PolarHBondContact O-N 3.29Å
379E98.6Very high98.6Very high100 Ų10044.6 Ų44.647%0.46725%0.25SS..THydrogen-bonded Turntrans-77.7-4.6-171.8-68.467-129.400115.1V239 L290 Q377V239-E379 HydrophobicContact CB-CB 4.31Å; V239-E379 HydrophobicContact CB-CG 4.25Å; V239-E379 HydrophobicContact CG1-CB 4.49Å; L290-E379 WeakPolarHBondContact CB-O 3.25Å; Q377-E379 PolarHBondContact O-N 3.16Å
380L98.8Very high98.6Very high27 Ų2745.5 Ų45.514%0.14126%0.255CS..BIsolated β-bridgetrans-148.3128-174.6-160.170.9000114N148 L290 Q377 L378 V382N148-L380 HydrophobicContact CB-CD1 3.84Å; N148-L380 HydrophobicContact CB-CD2 4.41Å; L290-L380 HydrophobicContact CB-CD1 4.11Å; Q377-L380 PolarHBondContact N-O 3.32Å; Q377-L380 PolarHBondContact O-N 3.25Å; L378-L380 VanDerWaalsContact C-N 3.31Å; L378-L380 PolarHBondContact O-N 3.29Å; L380-V382 HydrophobicContact CD2-CG1 3.81Å; L380-V382 HydrophobicContact CG-CG1 4.15Å
381N98.8Very high98.6Very high0 Ų043.8 Ų43.80%024%0.243CC..  trans-80.8121.7160.9-179.8-57.4000109.6L290 A291 A372 A373 G376 C383 K384L290-N381 PolarHBondContact O-N 3.17Å; L290-N381 VanDerWaalsContact O-N 3.11Å; A291-N381 VanDerWaalsContact O-CB 3.31Å; A291-N381 WeakPolarHBondContact O-CB 3.36Å; A372-N381 PolarHBondContact O-ND2 2.98Å; A373-N381 PolarHBondContact O-ND2 3.44Å; A373-N381 VanDerWaalsContact O-ND2 3.1Å; G376-N381 PolarHBondContact N-ND2 3.05Å; N381-C383 PolarHBondContact OD1-N 2.9Å; N381-K384 WeakPolarHBondContact O-CE 3.22Å; N381-K384 WeakPolarHBondContact O-CG 3.14Å; N381-K384 PolarHBondContact O-NZ 2.86Å
382V98.7Very high98.7Very high66 Ų6639.3 Ų39.340%0.422%0.221SC..SBendtrans-106.138.6-179-64.80000112.5G104 L380G104-V382 CarbonylContact C-O 3.51Å; G104-V382 VanDerWaalsContact CA-C 3.49Å; G104-V382 WeakPolarHBondContact CA-O 3.32Å; G104-V382 CarbonylContact O-C 3.52Å; G104-V382 WeakPolarHBondContact O-CA 3.45Å; L380-V382 HydrophobicContact CD2-CG1 3.81Å; L380-V382 HydrophobicContact CG-CG1 4.15Å
383C98.6Very high98.7Very high32 Ų3242.6 Ų42.622%0.21624%0.235CC..  trans-118.425.4168-66.30000111.4A372 N381 L386 I387A372-C383 HydrophobicContact CB-CB 3.8Å; N381-C383 PolarHBondContact OD1-N 2.9Å; C383-L386 PolarHBondContact O-N 2.82Å; C383-I387 WeakPolarHBondContact O-CG1 3.07Å; C383-I387 PolarHBondContact O-N 3.01Å; C383-I387 VanDerWaalsContact O-N 3.15Å
384K98.8Very high98.7Very high0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-61.7-48.6-169.4-53-160.2-172.1-600113.5G104 F151 P152 M155 L290 H293 N381 L386 I387 A388G104-K384 VanDerWaalsContact O-CB 3.27Å; G104-K384 WeakPolarHBondContact O-CB 3.23Å; G104-K384 WeakPolarHBondContact O-CG 3.35Å; G104-K384 PolarHBondContact O-N 3.12Å; F151-K384 HydrophobicContact CD1-CB 3.72Å; F151-K384 HydrophobicContact CD1-CD 4.3Å; F151-K384 HydrophobicContact CE1-CB 3.79Å; P152-K384 HydrophobicContact CB-CD 4.22Å; P152-K384 HydrophobicContact CG-CD 4.37Å; M155-K384 HydrophobicContact CE-CB 4.31Å; M155-K384 WeakPolarHBondContact CE-O 3.37Å; M155-K384 HydrophobicContact SD-CB 3.57Å; M155-K384 VanDerWaalsContact SD-CB 3.57Å; M155-K384 HydrophobicContact SD-CD 4.29Å; M155-K384 HydrophobicContact SD-CG 4.29Å; L290-K384 PolarHBondContact O-NZ 2.97Å; H293-K384 WeakPolarHBondContact NE2-CG 3.48Å; H293-K384 PolarHBondContact NE2-NZ 2.97Å; H293-K384 VanDerWaalsContact NE2-NZ 3.11Å; N381-K384 WeakPolarHBondContact O-CE 3.22Å; N381-K384 WeakPolarHBondContact O-CG 3.14Å; N381-K384 PolarHBondContact O-NZ 2.86Å; K384-L386 VanDerWaalsContact C-N 3.3Å; K384-L386 PolarHBondContact O-N 2.9Å; K384-I387 PolarHBondContact O-N 2.81Å; K384-A388 WeakPolarHBondContact O-CB 3.47Å; K384-A388 PolarHBondContact O-N 3.1Å
385P98.8Very high98.7Very high4 Ų438.6 Ų38.63%0.02621%0.207CC..Hα-helixtrans-55.6-41.1175.2-30.939.1000114.1M47 I100 Q102 G104 F151 A388 A389M47-P385 HydrophobicContact CE-CB 4.08Å; I100-P385 HydrophobicContact CG2-CB 4.18Å; I100-P385 WeakPolarHBondContact O-CB 3.49Å; Q102-P385 HydrophobicContact CG-CG 4.15Å; G104-P385 WeakPolarHBondContact O-CD 3.23Å; F151-P385 HydrophobicContact CE1-CG 4.3Å; F151-P385 HydrophobicContact CZ-CG 4.17Å; P385-A388 PolarHBondContact O-N 3.49Å; P385-A389 WeakPolarHBondContact O-CB 3.4Å; P385-A389 PolarHBondContact O-N 3.11Å
386L98.7Very high98.7Very high44 Ų4437.6 Ų37.623%0.2320%0.202CC..Hα-helixtrans-66.7-44.3-178.4178.660.2000111.8W101 T368 A372 C383 K384 N390W101-L386 HydrophobicContact CH2-CD1 3.93Å; W101-L386 HydrophobicContact CZ3-CD1 3.76Å; T368-L386 HydrophobicContact CG2-CD1 3.91Å; T368-L386 HydrophobicContact CG2-CD2 3.95Å; T368-L386 HydrophobicContact CG2-CG 4.04Å; A372-L386 HydrophobicContact CB-CD2 4.03Å; A372-L386 HydrophobicContact CB-CG 4.4Å; C383-L386 PolarHBondContact O-N 2.82Å; K384-L386 VanDerWaalsContact C-N 3.3Å; K384-L386 PolarHBondContact O-N 2.9Å; L386-N390 WeakPolarHBondContact CD1-ND2 3.42Å; L386-N390 PolarHBondContact O-N 2.89Å; L386-N390 VanDerWaalsContact O-N 3.13Å; L386-N390 PolarHBondContact O-ND2 3.05Å
387I98.9Very high98.7Very high1 Ų137.6 Ų37.61%0.00519%0.193CC..Hα-helixtrans-60.7-47.8175.5-67.4167.4000109.9M155 H293 L296 T369 A372 C383 K384 N390 L391M155-I387 HydrophobicContact CE-CB 3.86Å; M155-I387 HydrophobicContact CE-CG2 3.65Å; H293-I387 HydrophobicContact CB-CD1 4.07Å; L296-I387 HydrophobicContact CD1-CG2 4.1Å; T369-I387 HydrophobicContact CG2-CG2 4.26Å; A372-I387 HydrophobicContact CB-CD1 4.15Å; A372-I387 HydrophobicContact CB-CG1 3.63Å; C383-I387 WeakPolarHBondContact O-CG1 3.07Å; C383-I387 PolarHBondContact O-N 3.01Å; C383-I387 VanDerWaalsContact O-N 3.15Å; K384-I387 PolarHBondContact O-N 2.81Å; I387-N390 PolarHBondContact O-N 3.29Å; I387-L391 HydrophobicContact CG2-CD1 3.92Å; I387-L391 PolarHBondContact O-N 3.47Å; I387-L391 VanDerWaalsContact O-N 3.1Å
388A98.8Very high98.8Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-59.1-50.2-179.200000112I51 M155 K384 P385 N390 L391 L392I51-A388 HydrophobicContact CD1-CB 3.92Å; I51-A388 HydrophobicContact CG1-CB 4.33Å; M155-A388 HydrophobicContact CE-CB 4.25Å; M155-A388 HydrophobicContact CG-CB 3.84Å; M155-A388 HydrophobicContact SD-CB 4.47Å; K384-A388 WeakPolarHBondContact O-CB 3.47Å; K384-A388 PolarHBondContact O-N 3.1Å; P385-A388 PolarHBondContact O-N 3.49Å; A388-N390 PolarHBondContact O-N 2.69Å; A388-L391 PolarHBondContact O-N 2.98Å; A388-L392 WeakPolarHBondContact O-CB 3.44Å; A388-L392 WeakPolarHBondContact O-CG 3.45Å; A388-L392 PolarHBondContact O-N 3.1Å
389A98.7Very high98.8Very high13 Ų1324.2 Ų24.211%0.10713%0.128CC..Hα-helixtrans-62.1-44.7-178.700000112.3P48 I100 P385 L391 H393P48-A389 HydrophobicContact CG-CB 4.41Å; I100-A389 HydrophobicContact CD1-CB 3.61Å; I100-A389 HydrophobicContact CG1-CB 3.96Å; I100-A389 HydrophobicContact CG2-CB 3.88Å; P385-A389 WeakPolarHBondContact O-CB 3.4Å; P385-A389 PolarHBondContact O-N 3.11Å; A389-L391 PolarHBondContact O-N 2.87Å; A389-H393 WeakPolarHBondContact O-CB 3.46Å; A389-H393 PolarHBondContact O-N 3.44Å
390N98.8Very high98.8Very high20 Ų2024.5 Ų24.511%0.10713%0.132CC..Hα-helixtrans-64.7-41.4179.4-84.4-78.8000112.8N365 L386 I387 A388 T394N365-N390 WeakPolarHBondContact CA-OD1 3.34Å; N365-N390 HydrophobicContact CB-CB 4.17Å; N365-N390 PolarHBondContact OD1-OD1 3.11Å; L386-N390 WeakPolarHBondContact CD1-ND2 3.42Å; L386-N390 PolarHBondContact O-N 2.89Å; L386-N390 VanDerWaalsContact O-N 3.13Å; L386-N390 PolarHBondContact O-ND2 3.05Å; I387-N390 PolarHBondContact O-N 3.29Å; A388-N390 PolarHBondContact O-N 2.69Å; N390-T394 WeakPolarHBondContact O-CB 3.34Å; N390-T394 PolarHBondContact O-N 2.8Å; N390-T394 PolarHBondContact O-OG1 3.32Å
391L98.9Very high98.8Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-71.1-41.7179.6-77.6171.4000112I159 L296 F303 T369 I387 A388 A389 T394 C395I159-L391 HydrophobicContact CD1-CB 3.71Å; I159-L391 HydrophobicContact CD1-CD1 3.76Å; I159-L391 HydrophobicContact CD1-CG 4.39Å; I159-L391 HydrophobicContact CG1-CB 4.12Å; L296-L391 HydrophobicContact CB-CD1 3.74Å; L296-L391 HydrophobicContact CD1-CD1 4.39Å; L296-L391 HydrophobicContact CD2-CD1 4.22Å; L296-L391 HydrophobicContact CG-CD1 4.34Å; F303-L391 HydrophobicContact CD2-CD2 4.03Å; F303-L391 HydrophobicContact CE2-CD2 4.12Å; T369-L391 HydrophobicContact CG2-CD1 4.44Å; T369-L391 HydrophobicContact CG2-CG 4.49Å; I387-L391 HydrophobicContact CG2-CD1 3.92Å; I387-L391 PolarHBondContact O-N 3.47Å; I387-L391 VanDerWaalsContact O-N 3.1Å; A388-L391 PolarHBondContact O-N 2.98Å; A389-L391 PolarHBondContact O-N 2.87Å; L391-T394 WeakPolarHBondContact O-CB 3.46Å; L391-T394 PolarHBondContact O-N 2.98Å; L391-C395 PolarHBondContact O-N 3.09Å; L391-C395 PolarHBondContact O-SG 2.79Å; L391-C395 VanDerWaalsContact O-SG 3.32Å
392L98.9Very high98.8Very high1 Ų123.8 Ų23.81%0.00513%0.129CC..Hα-helixtrans-67.1-41.6176.9-70.1169.8000112P48 Q50 I51 I159 E162 A388 T394 C395 E396P48-L392 HydrophobicContact CB-CD1 3.76Å; P48-L392 HydrophobicContact CG-CD1 4.1Å; Q50-L392 HydrophobicContact CB-CD1 4.09Å; Q50-L392 HydrophobicContact CB-CD2 4.03Å; Q50-L392 HydrophobicContact CG-CD2 4.32Å; I51-L392 HydrophobicContact CD1-CD1 3.91Å; I51-L392 HydrophobicContact CG1-CD1 3.63Å; I159-L392 HydrophobicContact CG1-CD2 3.93Å; I159-L392 HydrophobicContact CG1-CG 4.07Å; E162-L392 HydrophobicContact CB-CD2 4.39Å; E162-L392 HydrophobicContact CG-CD2 3.84Å; A388-L392 WeakPolarHBondContact O-CB 3.44Å; A388-L392 WeakPolarHBondContact O-CG 3.45Å; A388-L392 PolarHBondContact O-N 3.1Å; L392-T394 VanDerWaalsContact C-N 3.28Å; L392-T394 PolarHBondContact O-N 3.33Å; L392-C395 WeakPolarHBondContact O-CB 3.37Å; L392-C395 PolarHBondContact O-N 3.48Å; L392-C395 VanDerWaalsContact O-N 3.13Å; L392-E396 PolarHBondContact O-N 3.27Å
393H98.8Very high98.8Very high74 Ų7426 Ų2634%0.34313%0.13SC..Hα-helixtrans-60.2-40.5172.2-177.9-152.9000111.3A389 C395 E396 L397A389-H393 WeakPolarHBondContact O-CB 3.46Å; A389-H393 PolarHBondContact O-N 3.44Å; H393-C395 PolarHBondContact O-N 3.48Å; H393-E396 PolarHBondContact O-N 3.25Å; H393-L397 WeakPolarHBondContact O-CB 3.27Å; H393-L397 VanDerWaalsContact O-CG 3.25Å; H393-L397 WeakPolarHBondContact O-CG 3.14Å; H393-L397 PolarHBondContact O-N 2.96Å
394T98.9Very high98.8Very high2 Ų226.9 Ų26.91%0.01214%0.136CC..Hα-helixtrans-61.6-41.5174-61.70000112.1F303 I362 N365 N390 L391 L392 L397 L398F303-T394 HydrophobicContact CB-CG2 3.76Å; F303-T394 HydrophobicContact CD2-CG2 3.53Å; F303-T394 HydrophobicContact CE2-CG2 4.29Å; F303-T394 HydrophobicContact CG-CG2 3.83Å; I362-T394 HydrophobicContact CB-CG2 4.48Å; I362-T394 HydrophobicContact CG1-CG2 4.1Å; I362-T394 HydrophobicContact CG2-CG2 3.8Å; N365-T394 WeakPolarHBondContact CB-OG1 3.37Å; N365-T394 PolarHBondContact ND2-OG1 3.19Å; N390-T394 WeakPolarHBondContact O-CB 3.34Å; N390-T394 PolarHBondContact O-N 2.8Å; N390-T394 PolarHBondContact O-OG1 3.32Å; L391-T394 WeakPolarHBondContact O-CB 3.46Å; L391-T394 PolarHBondContact O-N 2.98Å; L392-T394 VanDerWaalsContact C-N 3.28Å; L392-T394 PolarHBondContact O-N 3.33Å; T394-L397 PolarHBondContact O-N 3.44Å; T394-L398 HydrophobicContact CG2-CD1 4.03Å; T394-L398 HydrophobicContact CG2-CG 4.47Å; T394-L398 WeakPolarHBondContact O-CB 2.94Å; T394-L398 WeakPolarHBondContact O-CG 3.38Å; T394-L398 PolarHBondContact O-N 3.35Å
395C98.9Very high98.8Very high0 Ų027 Ų270%014%0.137CC..Hα-helixtrans-61.3-45176-70.60000112.1E162 V167 L391 L392 H393 T399E162-C395 HydrophobicContact CB-CB 3.97Å; V167-C395 HydrophobicContact CG2-CB 3.76Å; V167-C395 WeakPolarHBondContact CG2-O 3.34Å; L391-C395 PolarHBondContact O-N 3.09Å; L391-C395 PolarHBondContact O-SG 2.79Å; L391-C395 VanDerWaalsContact O-SG 3.32Å; L392-C395 WeakPolarHBondContact O-CB 3.37Å; L392-C395 PolarHBondContact O-N 3.48Å; L392-C395 VanDerWaalsContact O-N 3.13Å; H393-C395 PolarHBondContact O-N 3.48Å; C395-T399 VanDerWaalsContact O-CB 3.29Å; C395-T399 WeakPolarHBondContact O-CB 3.14Å; C395-T399 PolarHBondContact O-N 3.26Å; C395-T399 PolarHBondContact O-OG1 3.02Å
396E98.6Very high98.8Very high80 Ų8026.8 Ų26.837%0.37414%0.135SC..Hα-helixtrans-62.8-50.6176.6-71.4177.8178.500111.3Q50 L392 H393 L398 T399 D400Q50-E396 PolarHBondContact NE2-OE1 3.37Å; L392-E396 PolarHBondContact O-N 3.27Å; H393-E396 PolarHBondContact O-N 3.25Å; E396-L398 PolarHBondContact O-N 3.29Å; E396-T399 PolarHBondContact O-N 3.09Å; E396-T399 VanDerWaalsContact O-N 3.13Å; E396-D400 PolarHBondContact O-N 3.47Å
397L98.9Very high98.8Very high36 Ų3627 Ų2719%0.18814%0.137CC..Hα-helixtrans-57.2-46.4178.7-73.8179.6000112.4V358 Q361 I362 H393 T394 S401V358-L397 HydrophobicContact CG1-CB 3.84Å; V358-L397 HydrophobicContact CG2-CD2 4.23Å; Q361-L397 HydrophobicContact CB-CD1 4.06Å; Q361-L397 HydrophobicContact CG-CD1 3.69Å; I362-L397 HydrophobicContact CG1-CB 4.46Å; I362-L397 HydrophobicContact CG1-CD1 4.33Å; H393-L397 WeakPolarHBondContact O-CB 3.27Å; H393-L397 VanDerWaalsContact O-CG 3.25Å; H393-L397 WeakPolarHBondContact O-CG 3.14Å; H393-L397 PolarHBondContact O-N 2.96Å; T394-L397 PolarHBondContact O-N 3.44Å; L397-S401 WeakPolarHBondContact O-CB 3.46Å; L397-S401 PolarHBondContact O-N 3.05Å; L397-S401 PolarHBondContact O-OG 2.91Å
398L98.9Very high98.7Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-63.2-44.3176-79.6173.2000111.5V167 F303 T306 L310 I362 T394 E396 T402V167-L398 HydrophobicContact CG1-CB 4.18Å; V167-L398 HydrophobicContact CG1-CD1 4.06Å; V167-L398 HydrophobicContact CG2-CB 4.46Å; F303-L398 HydrophobicContact CB-CD1 4.12Å; F303-L398 HydrophobicContact CD1-CD1 3.59Å; F303-L398 HydrophobicContact CE1-CD1 4.12Å; F303-L398 HydrophobicContact CG-CD1 3.9Å; T306-L398 HydrophobicContact CG2-CD2 4.18Å; L310-L398 HydrophobicContact CD1-CD2 3.78Å; I362-L398 HydrophobicContact CD1-CD2 3.58Å; I362-L398 HydrophobicContact CD1-CG 3.67Å; T394-L398 HydrophobicContact CG2-CD1 4.03Å; T394-L398 HydrophobicContact CG2-CG 4.47Å; T394-L398 WeakPolarHBondContact O-CB 2.94Å; T394-L398 WeakPolarHBondContact O-CG 3.38Å; T394-L398 PolarHBondContact O-N 3.35Å; E396-L398 PolarHBondContact O-N 3.29Å; L398-T402 WeakPolarHBondContact O-CB 3.5Å; L398-T402 WeakPolarHBondContact O-CG2 3.42Å; L398-T402 PolarHBondContact O-N 2.86Å; L398-T402 PolarHBondContact O-OG1 3.32Å
399T98.8Very high98.7Very high9 Ų932 Ų326%0.05516%0.159CC..Hα-helixtrans-60.1-51.8-178.4-620000111.4K166 V167 S170 C395 E396 T402 R403K166-T399 HydrophobicContact CB-CG2 3.79Å; K166-T399 WeakPolarHBondContact CB-OG1 3.21Å; V167-T399 PolarHBondContact N-OG1 3.26Å; S170-T399 WeakPolarHBondContact CB-O 3.31Å; S170-T399 WeakPolarHBondContact OG-CA 3.15Å; C395-T399 VanDerWaalsContact O-CB 3.29Å; C395-T399 WeakPolarHBondContact O-CB 3.14Å; C395-T399 PolarHBondContact O-N 3.26Å; C395-T399 PolarHBondContact O-OG1 3.02Å; E396-T399 PolarHBondContact O-N 3.09Å; E396-T399 VanDerWaalsContact O-N 3.13Å; T399-T402 PolarHBondContact O-OG1 3.12Å; T399-R403 WeakPolarHBondContact O-CB 3.45Å; T399-R403 WeakPolarHBondContact O-CG 3.31Å; T399-R403 PolarHBondContact O-N 2.87Å
400D98.8Very high98.7Very high106 Ų10631.4 Ų31.457%0.56715%0.154SC*.Hα-helixtrans-76.5-44.5-171.3-68.7-10.1000111.2E396 T402 C404E396-D400 PolarHBondContact O-N 3.47Å; D400-T402 PolarHBondContact O-N 3.24Å; D400-C404 WeakPolarHBondContact O-CB 3.45Å; D400-C404 PolarHBondContact O-N 2.53Å
401S98.7Very high98.7Very high11 Ų1136 Ų368%0.07717%0.169CC..Hα-helixtrans-66.7-39.5-177.666.60000112.7L397 C404 F405L397-S401 WeakPolarHBondContact O-CB 3.46Å; L397-S401 PolarHBondContact O-N 3.05Å; L397-S401 PolarHBondContact O-OG 2.91Å; S401-C404 PolarHBondContact O-N 3.11Å; S401-F405 WeakPolarHBondContact O-CB 3.45Å; S401-F405 PolarHBondContact O-N 3.26Å
402T98.8Very high98.7Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-72.7-39.3-179.260.60000111.7S170 L171 L174 L310 L398 T399 D400 A406S170-T402 VanDerWaalsContact CB-OG1 3.27Å; S170-T402 WeakPolarHBondContact CB-OG1 3.47Å; S170-T402 PolarHBondContact OG-OG1 3.4Å; S170-T402 VanDerWaalsContact OG-OG1 3.13Å; L171-T402 HydrophobicContact CD2-CG2 3.81Å; L174-T402 HydrophobicContact CD2-CG2 4.22Å; L310-T402 HydrophobicContact CD1-CG2 3.81Å; L310-T402 HydrophobicContact CD2-CG2 4.07Å; L398-T402 WeakPolarHBondContact O-CB 3.5Å; L398-T402 WeakPolarHBondContact O-CG2 3.42Å; L398-T402 PolarHBondContact O-N 2.86Å; L398-T402 PolarHBondContact O-OG1 3.32Å; T399-T402 PolarHBondContact O-OG1 3.12Å; D400-T402 PolarHBondContact O-N 3.24Å; T402-A406 VanDerWaalsContact O-CB 3.29Å; T402-A406 WeakPolarHBondContact O-CB 3.35Å; T402-A406 PolarHBondContact O-N 2.9Å
403R98.5Very high98.7Very high113 Ų11339.9 Ų39.943%0.42619%0.191SC..Hα-helixtrans-62.1-49.3170.7-80.4174.4177.1-105.62.5111.5T399 F405 A406 D407T399-R403 WeakPolarHBondContact O-CB 3.45Å; T399-R403 WeakPolarHBondContact O-CG 3.31Å; T399-R403 PolarHBondContact O-N 2.87Å; R403-F405 PolarHBondContact O-N 3.41Å; R403-A406 PolarHBondContact O-N 3.23Å; R403-D407 WeakPolarHBondContact O-CB 3.33Å; R403-D407 VanDerWaalsContact O-CG 3.3Å; R403-D407 PolarHBondContact O-N 3.07Å
404C98.5Very high98.6Very high50 Ų5041.2 Ų41.234%0.33820%0.197SC..Hα-helixtrans-61.3-46-179.6-169.30000111.3Q351 D400 S401 A406 D407 K408Q351-C404 PolarHBondContact OE1-SG 3.28Å; D400-C404 WeakPolarHBondContact O-CB 3.45Å; D400-C404 PolarHBondContact O-N 2.53Å; S401-C404 PolarHBondContact O-N 3.11Å; C404-A406 PolarHBondContact O-N 3.29Å; C404-D407 PolarHBondContact O-N 3.3Å; C404-K408 VanDerWaalsContact O-CB 3.26Å; C404-K408 WeakPolarHBondContact O-CB 3.49Å; C404-K408 PolarHBondContact O-N 3.23Å
405F98.7Very high98.6Very high2 Ų241.9 Ų41.91%0.00920%0.2CC..Hα-helixtrans-63.5-41.4177.8-168.6-103.2000112.1L174 L313 F317 Q351 C352 L355 S401 R403 D407 C409 V410L174-F405 HydrophobicContact CD1-CD1 3.97Å; L313-F405 HydrophobicContact CD2-CD1 4.24Å; L313-F405 HydrophobicContact CD2-CE1 3.76Å; L313-F405 HydrophobicContact CG-CE1 4.01Å; F317-F405 HydrophobicContact CB-CZ 4.42Å; F317-F405 HydrophobicContact CD1-CE1 4.49Å; F317-F405 AromaticContact CD1-CZ 3.98Å; F317-F405 HydrophobicContact CD1-CZ 3.98Å; F317-F405 HydrophobicContact CE1-CZ 4.49Å; F317-F405 HydrophobicContact CG-CZ 4.2Å; Q351-F405 HydrophobicContact CB-CD2 3.95Å; Q351-F405 HydrophobicContact CB-CE2 4.33Å; C352-F405 HydrophobicContact CB-CE2 4.47Å; L355-F405 HydrophobicContact CB-CD2 4.24Å; L355-F405 HydrophobicContact CD2-CB 4.24Å; L355-F405 HydrophobicContact CD2-CD1 3.88Å; L355-F405 HydrophobicContact CD2-CD2 3.84Å; L355-F405 HydrophobicContact CD2-CE1 4.18Å; L355-F405 HydrophobicContact CD2-CE2 4.14Å; L355-F405 HydrophobicContact CD2-CG 3.71Å; L355-F405 HydrophobicContact CD2-CZ 4.3Å; S401-F405 WeakPolarHBondContact O-CB 3.45Å; S401-F405 PolarHBondContact O-N 3.26Å; R403-F405 PolarHBondContact O-N 3.41Å; F405-D407 PolarHBondContact O-N 2.73Å; F405-C409 HydrophobicContact CD2-CB 4.01Å; F405-C409 HydrophobicContact CE2-CB 3.96Å; F405-C409 HydrophobicContact CG-CB 4.44Å; F405-C409 HydrophobicContact CZ-CB 4.37Å; F405-C409 WeakPolarHBondContact O-CA 3.5Å; F405-C409 VanDerWaalsContact O-CB 3.22Å; F405-C409 WeakPolarHBondContact O-CB 2.97Å; F405-C409 PolarHBondContact O-N 2.74Å; F405-C409 VanDerWaalsContact O-N 3.12Å; F405-V410 HydrophobicContact CD1-CG2 3.62Å; F405-V410 HydrophobicContact CE1-CG2 3.48Å; F405-V410 VanDerWaalsContact CE1-CG2 3.48Å; F405-V410 HydrophobicContact CZ-CG2 4.38Å; F405-V410 PolarHBondContact O-N 3.49Å
406A98.8Very high98.6Very high0 Ų044.2 Ų44.20%021%0.213CC..Iπ-helixtrans-59-47.8174.800000111.4L174 V177 T402 R403 C404 V410 R411L174-A406 HydrophobicContact CB-CB 4.13Å; L174-A406 HydrophobicContact CD1-CB 3.83Å; V177-A406 HydrophobicContact CB-CB 4.44Å; V177-A406 HydrophobicContact CG2-CB 4.28Å; T402-A406 VanDerWaalsContact O-CB 3.29Å; T402-A406 WeakPolarHBondContact O-CB 3.35Å; T402-A406 PolarHBondContact O-N 2.9Å; R403-A406 PolarHBondContact O-N 3.23Å; C404-A406 PolarHBondContact O-N 3.29Å; A406-V410 PolarHBondContact O-N 3.27Å; A406-R411 WeakPolarHBondContact O-CB 3.44Å; A406-R411 PolarHBondContact O-N 3.45Å
407D98.6Very high98.6Very high48 Ų4847.1 Ų47.126%0.25722%0.22SC..Iπ-helixtrans-81.8-33.5-169.7-71.9-3.1000114.2H173 R403 C404 F405 R411H173-D407 IonicContact CD2-OD1 3.4Å; H173-D407 IonicContact CE1-OD1 3.54Å; H173-D407 IonicContact NE2-OD1 3.59Å; H173-D407 PolarHBondContact NE2-OD1 2.98Å; R403-D407 WeakPolarHBondContact O-CB 3.33Å; R403-D407 VanDerWaalsContact O-CG 3.3Å; R403-D407 PolarHBondContact O-N 3.07Å; C404-D407 PolarHBondContact O-N 3.3Å; F405-D407 PolarHBondContact O-N 2.73Å; D407-R411 IonicContact OD1-CZ 3.25Å; D407-R411 IonicContact OD1-NH2 2.82Å; D407-R411 PolarHBondContact OD1-NH2 2.83Å; D407-R411 IonicContact OD2-NH2 2.74Å; D407-R411 PolarHBondContact OD2-NH2 3.41Å
408K98.4Very high98.5Very high106 Ų10653 Ų5346%0.46125%0.247SC..Iπ-helixtrans-106.3-2.9-173.2-58.4-61.5-173.4175.10113.6P334 N336 Q351 C404P334-K408 WeakPolarHBondContact CG-O 3.08Å; N336-K408 PolarHBondContact ND2-O 2.94Å; Q351-K408 HydrophobicContact CG-CB 3.9Å; C404-K408 VanDerWaalsContact O-CB 3.26Å; C404-K408 WeakPolarHBondContact O-CB 3.49Å; C404-K408 PolarHBondContact O-N 3.23Å
409C98.5Very high98.5Very high2 Ų255.5 Ų55.51%0.01426%0.258CS..Iπ-helixtrans-135.1-63.4179.7-1720000111.8Q351 F405 L413Q351-C409 HydrophobicContact CB-CB 3.87Å; Q351-C409 HydrophobicContact CG-CB 4.27Å; F405-C409 HydrophobicContact CD2-CB 4.01Å; F405-C409 HydrophobicContact CE2-CB 3.96Å; F405-C409 HydrophobicContact CG-CB 4.44Å; F405-C409 HydrophobicContact CZ-CB 4.37Å; F405-C409 WeakPolarHBondContact O-CA 3.5Å; F405-C409 VanDerWaalsContact O-CB 3.22Å; F405-C409 WeakPolarHBondContact O-CB 2.97Å; F405-C409 PolarHBondContact O-N 2.74Å; F405-C409 VanDerWaalsContact O-N 3.12Å; C409-L413 PolarHBondContact O-N 2.96Å
410V98.7Very high98.5Very high0 Ų055.2 Ų55.20%026%0.256CS..Iπ-helixtrans-69.3-42.5-169.8-1730000112.5L174 V177 L178 K181 F317 F405 A406 D412 L413L174-V410 HydrophobicContact CD1-CG2 3.87Å; V177-V410 HydrophobicContact CG1-CB 3.91Å; V177-V410 HydrophobicContact CG1-CG1 3.79Å; L178-V410 HydrophobicContact CD2-CG1 3.56Å; L178-V410 HydrophobicContact CD2-CG2 4.29Å; L178-V410 HydrophobicContact CG-CG1 3.89Å; K181-V410 WeakPolarHBondContact CE-O 3.33Å; K181-V410 HydrophobicContact CG-CG1 4.35Å; K181-V410 WeakPolarHBondContact CG-O 3.45Å; F317-V410 HydrophobicContact CE1-CG2 4.06Å; F317-V410 HydrophobicContact CZ-CG2 4.41Å; F405-V410 HydrophobicContact CD1-CG2 3.62Å; F405-V410 HydrophobicContact CE1-CG2 3.48Å; F405-V410 VanDerWaalsContact CE1-CG2 3.48Å; F405-V410 HydrophobicContact CZ-CG2 4.38Å; F405-V410 PolarHBondContact O-N 3.49Å; A406-V410 PolarHBondContact O-N 3.27Å; V410-D412 VanDerWaalsContact C-N 3.27Å; V410-D412 PolarHBondContact O-N 3.16Å; V410-L413 VanDerWaalsContact O-CB 3.25Å; V410-L413 WeakPolarHBondContact O-CB 3.43Å; V410-L413 PolarHBondContact O-N 3.08Å; V410-L413 VanDerWaalsContact O-N 3.15Å
411R98.5Very high98.4Very high115 Ų11554.7 Ų54.743%0.43425%0.25SC..THydrogen-bonded Turntrans-54.1-43.6-175.9-176.3-170.2-62.9163.1-6.2112.9V177 K181 A406 D407V177-R411 HydrophobicContact CG1-CB 3.95Å; K181-R411 WeakPolarHBondContact CE-O 3.41Å; K181-R411 PolarHBondContact NZ-O 2.86Å; A406-R411 WeakPolarHBondContact O-CB 3.44Å; A406-R411 PolarHBondContact O-N 3.45Å; D407-R411 IonicContact OD1-CZ 3.25Å; D407-R411 IonicContact OD1-NH2 2.82Å; D407-R411 PolarHBondContact OD1-NH2 2.83Å; D407-R411 IonicContact OD2-NH2 2.74Å; D407-R411 PolarHBondContact OD2-NH2 3.41Å
412D98Very high98.3Very high84 Ų8457 Ų5745%0.44926%0.259SS..THydrogen-bonded Turntrans-104.116.4-175.1-59.6-39.6000112.3P334 V410 Q414P334-D412 HydrophobicContact CB-CB 4.24Å; P334-D412 HydrophobicContact CG-CB 4.34Å; V410-D412 VanDerWaalsContact C-N 3.27Å; V410-D412 PolarHBondContact O-N 3.16Å; D412-Q414 PolarHBondContact O-N 2.98Å
413L98.6Very high98.3Very high0 Ų059.2 Ų59.20%027%0.268CS..  trans-54.8128.2173.8174.864.4000110.4K181 F185 F317 F331 L333 C409 V410K181-L413 HydrophobicContact CD-CB 4.24Å; K181-L413 WeakPolarHBondContact CE-O 3.02Å; K181-L413 PolarHBondContact NZ-O 3.21Å; F185-L413 HydrophobicContact CE2-CD2 3.91Å; F185-L413 HydrophobicContact CE2-CG 4.03Å; F185-L413 WeakPolarHBondContact CZ-O 3.45Å; F317-L413 HydrophobicContact CE1-CD1 4.48Å; F317-L413 HydrophobicContact CE1-CD2 3.86Å; F317-L413 HydrophobicContact CZ-CD2 3.95Å; F331-L413 HydrophobicContact CB-CD1 3.93Å; F331-L413 HydrophobicContact CD2-CD1 3.55Å; F331-L413 HydrophobicContact CD2-CD2 4.05Å; F331-L413 HydrophobicContact CD2-CG 4.44Å; F331-L413 HydrophobicContact CE2-CD1 4.18Å; F331-L413 HydrophobicContact CE2-CD2 3.8Å; F331-L413 HydrophobicContact CG-CD1 3.8Å; F331-L413 HydrophobicContact CZ-CD2 4.26Å; L333-L413 HydrophobicContact CD2-CD1 3.64Å; C409-L413 PolarHBondContact O-N 2.96Å; V410-L413 VanDerWaalsContact O-CB 3.25Å; V410-L413 WeakPolarHBondContact O-CB 3.43Å; V410-L413 PolarHBondContact O-N 3.08Å; V410-L413 VanDerWaalsContact O-N 3.15Å
414Q98.4Very high98.2Very high101 Ų10153.9 Ų53.947%0.47225%0.248SC..EExtended strand (participates in β ladder)trans-118.7162.8172.7-63.1-60.3-34.100110.5V332 D412V332-Q414 HydrophobicContact CB-CB 4.12Å; V332-Q414 PolarHBondContact N-O 2.89Å; V332-Q414 PolarHBondContact O-N 3.47Å; D412-Q414 PolarHBondContact O-N 2.98Å
415L98.6Very high98Very high17 Ų1756.5 Ų56.59%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-114.6137.1178-58.9-178000110.7F185 V188 V204 E330 F331 R417 I420F185-L415 HydrophobicContact CB-CD1 4.05Å; F185-L415 HydrophobicContact CD1-CD1 3.6Å; F185-L415 HydrophobicContact CD1-CG 4.14Å; F185-L415 HydrophobicContact CD2-CD1 3.93Å; F185-L415 HydrophobicContact CD2-CD2 4.17Å; F185-L415 HydrophobicContact CD2-CG 4.12Å; F185-L415 HydrophobicContact CE1-CD1 3.96Å; F185-L415 HydrophobicContact CE1-CG 3.99Å; F185-L415 HydrophobicContact CE2-CD1 4.25Å; F185-L415 HydrophobicContact CE2-CD2 4.05Å; F185-L415 HydrophobicContact CE2-CG 3.96Å; F185-L415 HydrophobicContact CG-CD1 3.6Å; F185-L415 HydrophobicContact CG-CG 4.22Å; F185-L415 HydrophobicContact CZ-CD1 4.27Å; F185-L415 HydrophobicContact CZ-CD2 4.44Å; F185-L415 HydrophobicContact CZ-CG 3.9Å; V188-L415 HydrophobicContact CB-CD1 4.03Å; V188-L415 HydrophobicContact CG1-CD1 3.83Å; V188-L415 HydrophobicContact CG2-CD1 3.99Å; V204-L415 HydrophobicContact CB-CD1 4.29Å; V204-L415 HydrophobicContact CG1-CD1 4.09Å; V204-L415 HydrophobicContact CG1-CD2 4.04Å; V204-L415 HydrophobicContact CG2-CD1 4.05Å; E330-L415 WeakPolarHBondContact O-CA 3.48Å; F331-L415 HydrophobicContact CD1-CD2 3.57Å; F331-L415 HydrophobicContact CE1-CD2 3.63Å; F331-L415 HydrophobicContact CG-CD2 4.47Å; L415-R417 VanDerWaalsContact C-N 3.29Å; L415-R417 HydrophobicContact CB-CG 4.31Å; L415-R417 PolarHBondContact O-N 3.41Å; L415-I420 HydrophobicContact CB-CD1 3.9Å; L415-I420 HydrophobicContact CD1-CD1 4.28Å; L415-I420 HydrophobicContact CD2-CD1 4.36Å; L415-I420 HydrophobicContact CG-CD1 4.41Å
416N98.3Very high97.7Very high48 Ų4863.1 Ų63.126%0.25729%0.288SS..  trans-80.283.5165.2-171-21.3000108.9S329 E330 V332 E418 K419 I420S329-N416 WeakPolarHBondContact O-CB 3.05Å; E330-N416 PolarHBondContact O-N 3.21Å; V332-N416 HydrophobicContact CG2-CB 4.06Å; N416-E418 PolarHBondContact O-N 3.06Å; N416-E418 PolarHBondContact OD1-N 3.34Å; N416-K419 HydrophobicContact CB-CB 4.04Å; N416-K419 VanDerWaalsContact CG-CB 3.47Å; N416-K419 PolarHBondContact O-N 3.13Å; N416-K419 PolarHBondContact OD1-N 3.25Å; N416-K419 VanDerWaalsContact OD1-N 3.08Å; N416-I420 WeakPolarHBondContact O-CG1 3.3Å; N416-I420 PolarHBondContact O-N 2.91Å
417R98.2Very high97.6Very high141 Ų14163.2 Ų63.253%0.53229%0.288SS..Hα-helixtrans-60.1-34.5-175.4-67.5176.2177.4-89.2-2.5112.7L415 Q421L415-R417 VanDerWaalsContact C-N 3.29Å; L415-R417 HydrophobicContact CB-CG 4.31Å; L415-R417 PolarHBondContact O-N 3.41Å; R417-Q421 VanDerWaalsContact O-CB 3.29Å; R417-Q421 WeakPolarHBondContact O-CB 3.32Å; R417-Q421 PolarHBondContact O-N 2.86Å
418E97.8Very high97.5Very high161 Ų16162.8 Ų62.875%0.75229%0.286SS*.Hα-helixtrans-64-49176.7-174.5180177.200110.8N416 I420 Q421 E422N416-E418 PolarHBondContact O-N 3.06Å; N416-E418 PolarHBondContact OD1-N 3.34Å; E418-I420 PolarHBondContact O-N 3.4Å; E418-Q421 PolarHBondContact O-N 2.89Å; E418-E422 WeakPolarHBondContact O-CB 3.31Å; E418-E422 PolarHBondContact O-N 3.49Å
419K97.7Very high97.4Very high51 Ų5160.6 Ų60.622%0.22228%0.278CS..Hα-helixtrans-65.1-40.6178.7-163.973.4-161.5165.40112.6L328 N416 E422 Y423L328-K419 WeakPolarHBondContact O-CG 3.44Å; N416-K419 HydrophobicContact CB-CB 4.04Å; N416-K419 VanDerWaalsContact CG-CB 3.47Å; N416-K419 PolarHBondContact O-N 3.13Å; N416-K419 PolarHBondContact OD1-N 3.25Å; N416-K419 VanDerWaalsContact OD1-N 3.08Å; K419-E422 WeakPolarHBondContact CD-OE2 3.32Å; K419-E422 WeakPolarHBondContact CE-OE2 3.31Å; K419-E422 VanDerWaalsContact NZ-CD 3.33Å; K419-E422 IonicContact NZ-OE1 3.34Å; K419-E422 PolarHBondContact NZ-OE1 2.81Å; K419-E422 IonicContact NZ-OE2 2.77Å; K419-E422 PolarHBondContact NZ-OE2 3.47Å; K419-E422 WeakPolarHBondContact O-CB 3.39Å; K419-E422 PolarHBondContact O-N 2.97Å; K419-Y423 WeakPolarHBondContact CE-OH 3.22Å; K419-Y423 HydrophobicContact CG-CD2 4.43Å; K419-Y423 HydrophobicContact CG-CE2 3.73Å; K419-Y423 VanDerWaalsContact O-CD2 3.3Å; K419-Y423 WeakPolarHBondContact O-CD2 3.4Å; K419-Y423 PolarHBondContact O-N 3.34Å; K419-Y423 VanDerWaalsContact O-N 3.11Å
420I98.5Very high97.3Very high3 Ų361.1 Ų61.12%0.01528%0.28CS..Hα-helixtrans-60.1-48.5175.2-70169.2000110.3V188 I189 K190 V204 E330 L415 N416 E418 E422 Y423 V424V188-I420 HydrophobicContact CG1-CD1 4.28Å; V188-I420 HydrophobicContact CG1-CG2 4.25Å; I189-I420 WeakPolarHBondContact O-CG2 3.44Å; K190-I420 HydrophobicContact CB-CG2 3.92Å; V204-I420 HydrophobicContact CG2-CD1 4.38Å; E330-I420 HydrophobicContact CB-CD1 4.26Å; E330-I420 HydrophobicContact CB-CG1 3.84Å; E330-I420 HydrophobicContact CG-CG1 3.9Å; L415-I420 HydrophobicContact CB-CD1 3.9Å; L415-I420 HydrophobicContact CD1-CD1 4.28Å; L415-I420 HydrophobicContact CD2-CD1 4.36Å; L415-I420 HydrophobicContact CG-CD1 4.41Å; N416-I420 WeakPolarHBondContact O-CG1 3.3Å; N416-I420 PolarHBondContact O-N 2.91Å; E418-I420 PolarHBondContact O-N 3.4Å; I420-E422 VanDerWaalsContact C-N 3.34Å; I420-E422 PolarHBondContact O-N 2.99Å; I420-Y423 PolarHBondContact O-N 3.1Å; I420-V424 WeakPolarHBondContact O-CG2 3.5Å; I420-V424 PolarHBondContact O-N 3.43Å; I420-V424 VanDerWaalsContact O-N 3.13Å
421Q97.6Very high97.1Very high95 Ų9561.6 Ų61.644%0.44428%0.284SS..Hα-helixtrans-63.2-41.3178.9-170.962.653.500111.4R417 E418 Y423 V424 D425R417-Q421 VanDerWaalsContact O-CB 3.29Å; R417-Q421 WeakPolarHBondContact O-CB 3.32Å; R417-Q421 PolarHBondContact O-N 2.86Å; E418-Q421 PolarHBondContact O-N 2.89Å; Q421-Y423 VanDerWaalsContact C-N 3.3Å; Q421-Y423 PolarHBondContact O-N 2.83Å; Q421-V424 PolarHBondContact O-N 3.11Å; Q421-V424 VanDerWaalsContact O-N 3.13Å; Q421-D425 PolarHBondContact NE2-OD1 3.41Å; Q421-D425 VanDerWaalsContact O-CG 3.26Å; Q421-D425 PolarHBondContact O-N 3.11Å
422E96.8Very high97Very high59 Ų5959.2 Ų59.228%0.27628%0.282SS..Hα-helixtrans-55.5-44175.5-172.5-161.5153.300111.9E418 K419 I420 K426E418-E422 WeakPolarHBondContact O-CB 3.31Å; E418-E422 PolarHBondContact O-N 3.49Å; K419-E422 WeakPolarHBondContact CD-OE2 3.32Å; K419-E422 WeakPolarHBondContact CE-OE2 3.31Å; K419-E422 VanDerWaalsContact NZ-CD 3.33Å; K419-E422 IonicContact NZ-OE1 3.34Å; K419-E422 PolarHBondContact NZ-OE1 2.81Å; K419-E422 IonicContact NZ-OE2 2.77Å; K419-E422 PolarHBondContact NZ-OE2 3.47Å; K419-E422 WeakPolarHBondContact O-CB 3.39Å; K419-E422 PolarHBondContact O-N 2.97Å; I420-E422 VanDerWaalsContact C-N 3.34Å; I420-E422 PolarHBondContact O-N 2.99Å; E422-K426 HydrophobicContact CG-CD 3.96Å; E422-K426 WeakPolarHBondContact O-CB 3.25Å; E422-K426 VanDerWaalsContact O-CG 3.3Å; E422-K426 WeakPolarHBondContact O-CG 3.35Å; E422-K426 PolarHBondContact O-N 3.3Å; E422-K426 IonicContact OE1-NZ 2.86Å; E422-K426 PolarHBondContact OE1-NZ 3.32Å
423Y97.5Very high96.8Very high48 Ų4856.3 Ų56.319%0.18827%0.267CS..Hα-helixtrans-67.4-39.3177.3-66-40.6000112.7G327 L328 E330 K419 I420 Q421 S427G327-Y423 PolarHBondContact O-OH 3.29Å; L328-Y423 VanDerWaalsContact O-CE2 3.27Å; L328-Y423 WeakPolarHBondContact O-CE2 3.4Å; L328-Y423 PolarHBondContact O-OH 3.11Å; E330-Y423 HydrophobicContact CG-CD2 4.05Å; E330-Y423 HydrophobicContact CG-CE2 3.85Å; E330-Y423 WeakPolarHBondContact OE1-CD2 3.49Å; K419-Y423 WeakPolarHBondContact CE-OH 3.22Å; K419-Y423 HydrophobicContact CG-CD2 4.43Å; K419-Y423 HydrophobicContact CG-CE2 3.73Å; K419-Y423 VanDerWaalsContact O-CD2 3.3Å; K419-Y423 WeakPolarHBondContact O-CD2 3.4Å; K419-Y423 PolarHBondContact O-N 3.34Å; K419-Y423 VanDerWaalsContact O-N 3.11Å; I420-Y423 PolarHBondContact O-N 3.1Å; Q421-Y423 VanDerWaalsContact C-N 3.3Å; Q421-Y423 PolarHBondContact O-N 2.83Å; Y423-S427 VanDerWaalsContact O-CB 3.31Å; Y423-S427 WeakPolarHBondContact O-CB 3.21Å; Y423-S427 PolarHBondContact O-N 2.88Å
424V97.2Very high96.6Very high1 Ų156.3 Ų56.31%0.00627%0.267CS..Hα-helixtrans-62.3-49.2176.1173.50000110.1I189 I420 Q421 K426 S427 L430 P478I189-V424 HydrophobicContact CG2-CG2 4.3Å; I189-V424 WeakPolarHBondContact O-CG2 3.42Å; I420-V424 WeakPolarHBondContact O-CG2 3.5Å; I420-V424 PolarHBondContact O-N 3.43Å; I420-V424 VanDerWaalsContact O-N 3.13Å; Q421-V424 PolarHBondContact O-N 3.11Å; Q421-V424 VanDerWaalsContact O-N 3.13Å; V424-K426 VanDerWaalsContact C-N 3.32Å; V424-K426 PolarHBondContact O-N 3.31Å; V424-S427 PolarHBondContact O-N 2.9Å; V424-L430 WeakPolarHBondContact O-CD1 3.29Å; V424-P478 HydrophobicContact CG1-CB 3.63Å; V424-P478 HydrophobicContact CG1-CG 3.57Å
425D93.7Very high96.5Very high105 Ų10553.5 Ų53.556%0.56126%0.257SS*.Hα-helixtrans-65.6-34.1-176.4-66.2-15.9000112.8Q421Q421-D425 PolarHBondContact NE2-OD1 3.41Å; Q421-D425 VanDerWaalsContact O-CG 3.26Å; Q421-D425 PolarHBondContact O-N 3.11Å
426K93.7Very high96.2Very high140 Ų14058 Ų5861%0.60929%0.287SS*.Hα-helixtrans-86.2-11.8179.5-68.8-179.6-176.6176.80113.7E422 V424 L428E422-K426 HydrophobicContact CG-CD 3.96Å; E422-K426 WeakPolarHBondContact O-CB 3.25Å; E422-K426 VanDerWaalsContact O-CG 3.3Å; E422-K426 WeakPolarHBondContact O-CG 3.35Å; E422-K426 PolarHBondContact O-N 3.3Å; E422-K426 IonicContact OE1-NZ 2.86Å; E422-K426 PolarHBondContact OE1-NZ 3.32Å; V424-K426 VanDerWaalsContact C-N 3.32Å; V424-K426 PolarHBondContact O-N 3.31Å; K426-L428 PolarHBondContact O-N 3.28Å
427S95.6Very high95.9Very high2 Ų261.2 Ų61.21%0.01430%0.3CS..  trans-68.6125.4-173.5-179.20000111.9I191 Y423 V424 M429 L457I191-S427 WeakPolarHBondContact CD1-OG 3.47Å; Y423-S427 VanDerWaalsContact O-CB 3.31Å; Y423-S427 WeakPolarHBondContact O-CB 3.21Å; Y423-S427 PolarHBondContact O-N 2.88Å; V424-S427 PolarHBondContact O-N 2.9Å; S427-M429 PolarHBondContact O-N 3.1Å; S427-M429 WeakPolarHBondContact OG-CB 3.47Å; S427-M429 PolarHBondContact OG-N 3.49Å; S427-M429 VanDerWaalsContact OG-N 3.12Å; S427-L457 WeakPolarHBondContact O-CD1 3.47Å
428L96.1Very high95.7Very high40 Ų4055.8 Ų55.821%0.20928%0.282CS..G310 helixtrans-75.5-10.3172-58.3-176000112.4K426 L430 V431 V447 A450 L457K426-L428 PolarHBondContact O-N 3.28Å; L428-L430 VanDerWaalsContact C-N 3.26Å; L428-L430 PolarHBondContact O-N 2.89Å; L428-V431 WeakPolarHBondContact O-CB 3.43Å; L428-V431 VanDerWaalsContact O-CG1 3.28Å; L428-V431 WeakPolarHBondContact O-CG1 3.42Å; L428-V431 PolarHBondContact O-N 3.24Å; L428-V447 HydrophobicContact CB-CG1 4.24Å; L428-V447 HydrophobicContact CD1-CG1 4.06Å; L428-A450 HydrophobicContact CD2-CB 3.68Å; L428-L457 HydrophobicContact CD2-CD2 3.99Å; L428-L457 HydrophobicContact CD2-CG 3.95Å
429M96.9Very high95.6Very high59 Ų5949.7 Ų49.729%0.29126%0.262SS..G310 helixtrans-77.9-12.9-179.3-61.7-60.699.400113.1D198 A199 S427 V431 T432D198-M429 HydrophobicContact CB-CG 4.13Å; D198-M429 WeakPolarHBondContact O-CG 3.42Å; A199-M429 WeakPolarHBondContact O-CB 3.26Å; A199-M429 WeakPolarHBondContact O-CG 3.46Å; S427-M429 PolarHBondContact O-N 3.1Å; S427-M429 WeakPolarHBondContact OG-CB 3.47Å; S427-M429 PolarHBondContact OG-N 3.49Å; S427-M429 VanDerWaalsContact OG-N 3.12Å; M429-V431 PolarHBondContact O-N 3.41Å; M429-V431 VanDerWaalsContact O-N 3.14Å; M429-T432 WeakPolarHBondContact O-CB 3.34Å; M429-T432 PolarHBondContact O-N 3.29Å; M429-T432 VanDerWaalsContact O-N 3.12Å; M429-T432 PolarHBondContact O-OG1 3Å
430L96Very high95.6Very high13 Ų1355.4 Ų55.47%0.06828%0.283CS..G310 helixtrans-59.9-20.1169.1-61.4-177.8000112P201 V424 L428 T432 V433 L457 V476 P478 M481P201-L430 HydrophobicContact CG-CD2 3.32Å; V424-L430 WeakPolarHBondContact O-CD1 3.29Å; L428-L430 VanDerWaalsContact C-N 3.26Å; L428-L430 PolarHBondContact O-N 2.89Å; L430-T432 PolarHBondContact O-N 3.08Å; L430-V433 WeakPolarHBondContact O-CG1 3.25Å; L430-V433 PolarHBondContact O-N 3.47Å; L430-L457 HydrophobicContact CB-CD1 3.77Å; L430-V476 HydrophobicContact CB-CG1 3.82Å; L430-V476 HydrophobicContact CD1-CG1 4.12Å; L430-V476 HydrophobicContact CG-CG1 4.47Å; L430-P478 HydrophobicContact CD1-CG 4.22Å; L430-P478 HydrophobicContact CD2-CB 4.4Å; L430-P478 HydrophobicContact CD2-CG 4.09Å; L430-M481 HydrophobicContact CD2-CE 4.17Å; L430-M481 HydrophobicContact CD2-SD 3.83Å
431V96.1Very high95.5Very high11 Ų1161.5 Ų61.57%0.06732%0.316CS..G310 helixtrans-56.2-25.1174.281.10000112.9L428 M429 V433 L434 L446 V447 L457L428-V431 WeakPolarHBondContact O-CB 3.43Å; L428-V431 VanDerWaalsContact O-CG1 3.28Å; L428-V431 WeakPolarHBondContact O-CG1 3.42Å; L428-V431 PolarHBondContact O-N 3.24Å; M429-V431 PolarHBondContact O-N 3.41Å; M429-V431 VanDerWaalsContact O-N 3.14Å; V431-V433 PolarHBondContact O-N 3.12Å; V431-L434 HydrophobicContact CG2-CD1 4.3Å; V431-L434 WeakPolarHBondContact O-CA 3.44Å; V431-L434 VanDerWaalsContact O-CB 3.27Å; V431-L434 WeakPolarHBondContact O-CB 3.48Å; V431-L434 PolarHBondContact O-N 2.87Å; V431-L446 HydrophobicContact CG2-CD2 3.92Å; V431-L446 HydrophobicContact CG2-CG 4.32Å; V431-V447 HydrophobicContact CB-CG2 3.87Å; V431-V447 HydrophobicContact CG1-CG2 3.51Å; V431-V447 HydrophobicContact CG2-CG2 4.02Å; V431-L457 HydrophobicContact CB-CD1 4.15Å; V431-L457 HydrophobicContact CB-CD2 4.07Å; V431-L457 HydrophobicContact CG2-CD2 4.27Å
432T95.3Very high95.4Very high65 Ų6560.5 Ų60.540%0.39931%0.313SS..G310 helixtrans-58.5-37.8-172.2-48.40000111.4V200 M429 L430 L434 T435V200-T432 HydrophobicContact CG1-CG2 4.29Å; M429-T432 WeakPolarHBondContact O-CB 3.34Å; M429-T432 PolarHBondContact O-N 3.29Å; M429-T432 VanDerWaalsContact O-N 3.12Å; M429-T432 PolarHBondContact O-OG1 3Å; L430-T432 PolarHBondContact O-N 3.08Å; T432-L434 PolarHBondContact O-N 3.24Å; T432-T435 WeakPolarHBondContact O-CB 3.35Å; T432-T435 PolarHBondContact O-N 3.35Å; T432-T435 VanDerWaalsContact O-N 3.15Å; T432-T435 PolarHBondContact O-OG1 3.16Å
433V94.7Very high95.4Very high23 Ų2357.9 Ų57.914%0.13930%0.302CS..G310 helixtrans-68-20.8177.377.70000112.7L430 V431 T435 P436 H437 I475 V476 M481L430-V433 WeakPolarHBondContact O-CG1 3.25Å; L430-V433 PolarHBondContact O-N 3.47Å; V431-V433 PolarHBondContact O-N 3.12Å; V433-T435 VanDerWaalsContact C-N 3.35Å; V433-P436 WeakPolarHBondContact O-CD 3.25Å; V433-H437 PolarHBondContact O-CD2 2.62Å; V433-H437 VanDerWaalsContact O-CD2 3.24Å; V433-I475 HydrophobicContact CG1-CG2 4.1Å; V433-I475 HydrophobicContact CG2-CG2 4.3Å; V433-V476 HydrophobicContact CG1-CB 4.38Å; V433-V476 HydrophobicContact CG1-CG1 4.47Å; V433-V476 HydrophobicContact CG1-CG2 3.89Å; V433-M481 HydrophobicContact CB-CE 3.76Å; V433-M481 HydrophobicContact CB-CG 4.02Å; V433-M481 HydrophobicContact CB-SD 3.82Å; V433-M481 HydrophobicContact CG1-CE 4.07Å; V433-M481 HydrophobicContact CG1-CG 4.32Å; V433-M481 HydrophobicContact CG1-SD 3.68Å; V433-M481 HydrophobicContact CG2-CG 4.1Å; V433-M481 HydrophobicContact CG2-SD 4.5Å
434L94.6Very high95.4Very high0 Ų057.2 Ų57.20%031%0.306CS..G310 helixtrans-78.1-20.8175.9-59.3179.6000112.5V431 T432 H437 I438 L446 L467 F472 I475 V476V431-L434 HydrophobicContact CG2-CD1 4.3Å; V431-L434 WeakPolarHBondContact O-CA 3.44Å; V431-L434 VanDerWaalsContact O-CB 3.27Å; V431-L434 WeakPolarHBondContact O-CB 3.48Å; V431-L434 PolarHBondContact O-N 2.87Å; T432-L434 PolarHBondContact O-N 3.24Å; L434-H437 WeakPolarHBondContact O-CA 3.22Å; L434-H437 WeakPolarHBondContact O-CB 2.98Å; L434-H437 PolarHBondContact O-N 3.26Å; L434-I438 HydrophobicContact CB-CD1 4.1Å; L434-I438 HydrophobicContact CB-CG1 4.17Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 3.3Å; L434-L446 HydrophobicContact CD1-CD2 3.79Å; L434-L467 HydrophobicContact CD1-CD1 4.15Å; L434-L467 HydrophobicContact CD2-CD1 3.7Å; L434-L467 HydrophobicContact CG-CD1 4.48Å; L434-F472 HydrophobicContact CD1-CD2 4.09Å; L434-F472 HydrophobicContact CD1-CE2 3.78Å; L434-I475 HydrophobicContact CD2-CB 4.17Å; L434-I475 HydrophobicContact CD2-CD1 4.32Å; L434-I475 HydrophobicContact CD2-CG2 3.81Å; L434-V476 HydrophobicContact CD1-CG2 4.26Å; L434-V476 HydrophobicContact CD2-CG2 3.52Å; L434-V476 HydrophobicContact CG-CG2 3.91Å
435T95Very high95.3Very high42 Ų4262.8 Ų62.826%0.25833%0.33SS..Hα-helixtrans-54.8-43.6-174.3-56.30000113.2T432 V433 H437 G439 Y440T432-T435 WeakPolarHBondContact O-CB 3.35Å; T432-T435 PolarHBondContact O-N 3.35Å; T432-T435 VanDerWaalsContact O-N 3.15Å; T432-T435 PolarHBondContact O-OG1 3.16Å; V433-T435 VanDerWaalsContact C-N 3.35Å; T435-H437 PolarHBondContact O-N 2.84Å; T435-G439 WeakPolarHBondContact O-CA 3.29Å; T435-G439 PolarHBondContact O-N 3.01Å; T435-Y440 HydrophobicContact CG2-CD2 4.41Å
436P92.7Very high95.5Very high112 Ų11257.8 Ų57.873%0.72730%0.303SS*.Hα-helixtrans-65.7-20.8174.5-21.835.3000114.6V433V433-P436 WeakPolarHBondContact O-CD 3.25Å
437H92.8Very high95.6Very high114 Ų11452.7 Ų52.753%0.52828%0.283SS..Hα-helixtrans-94.8-37.2-176.7-59.6-75.9000113.4V433 L434 T435 I475V433-H437 PolarHBondContact O-CD2 2.62Å; V433-H437 VanDerWaalsContact O-CD2 3.24Å; L434-H437 WeakPolarHBondContact O-CA 3.22Å; L434-H437 WeakPolarHBondContact O-CB 2.98Å; L434-H437 PolarHBondContact O-N 3.26Å; T435-H437 PolarHBondContact O-N 2.84Å; H437-I475 HydrophobicContact CB-CD1 4.34Å
438I94.4Very high95.6Very high27 Ų2759.1 Ų59.114%0.13831%0.313CS..Hα-helixtrans-118.7-5.3-175.969.7173.8000113.6L434 L442 S443 L466 L467L434-I438 HydrophobicContact CB-CD1 4.1Å; L434-I438 HydrophobicContact CB-CG1 4.17Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 3.3Å; I438-L442 HydrophobicContact CB-CB 4.41Å; I438-L442 HydrophobicContact CD1-CB 4.22Å; I438-L442 HydrophobicContact CG1-CB 4.26Å; I438-L442 WeakPolarHBondContact O-CB 3.37Å; I438-L442 WeakPolarHBondContact O-CD1 3.46Å; I438-S443 WeakPolarHBondContact CG1-OG 3.4Å; I438-L466 HydrophobicContact CD1-CD1 4.31Å; I438-L467 HydrophobicContact CG2-CD1 4.12Å; I438-L467 HydrophobicContact CG2-CD2 4.15Å; I438-L467 HydrophobicContact CG2-CG 4.11Å
439G95Very high95.7Very high33 Ų3358.8 Ų58.834%0.3431%0.311SS..  trans82.5162.6-175.800000114T435 S443T435-G439 WeakPolarHBondContact O-CA 3.29Å; T435-G439 PolarHBondContact O-N 3.01Å; G439-S443 WeakPolarHBondContact O-CB 3.41Å; G439-S443 PolarHBondContact O-N 3.12Å; G439-S443 VanDerWaalsContact O-N 3.16Å; G439-S443 PolarHBondContact O-OG 3.37Å
440Y96.5Very high95.6Very high172 Ų17256 Ų5668%0.67530%0.297SS*.Hα-helixtrans-66.2-48.1-173.6-176.5-91.5000112.8T435 L442 S443 A444T435-Y440 HydrophobicContact CG2-CD2 4.41Å; Y440-L442 VanDerWaalsContact C-N 3.33Å; Y440-L442 PolarHBondContact O-N 3.23Å; Y440-S443 WeakPolarHBondContact O-CB 3.42Å; Y440-S443 PolarHBondContact O-N 3.4Å; Y440-S443 VanDerWaalsContact O-N 3.13Å; Y440-A444 PolarHBondContact O-N 3.07Å
441D96.5Very high95.5Very high130 Ų13059 Ų5970%0.69532%0.319SS*.Hα-helixtrans-64.3-38.2-174.9-66.6-19.2000112.4A444 K445D441-A444 PolarHBondContact O-N 2.94Å; D441-K445 WeakPolarHBondContact O-CB 3.31Å; D441-K445 PolarHBondContact O-N 3.12Å
442L96.6Very high95.5Very high75 Ų7566 Ų6639%0.39335%0.349SS..Hα-helixtrans-70.8-36.7175.5-64.1-176.4000111.6I438 Y440 K445 L446 L466I438-L442 HydrophobicContact CB-CB 4.41Å; I438-L442 HydrophobicContact CD1-CB 4.22Å; I438-L442 HydrophobicContact CG1-CB 4.26Å; I438-L442 WeakPolarHBondContact O-CB 3.37Å; I438-L442 WeakPolarHBondContact O-CD1 3.46Å; Y440-L442 VanDerWaalsContact C-N 3.33Å; Y440-L442 PolarHBondContact O-N 3.23Å; L442-K445 PolarHBondContact O-N 2.95Å; L442-L446 WeakPolarHBondContact O-CB 3.3Å; L442-L446 PolarHBondContact O-N 3.39Å; L442-L466 HydrophobicContact CB-CD2 4.16Å; L442-L466 HydrophobicContact CD1-CD2 3.96Å; L442-L466 HydrophobicContact CD2-CD2 4.06Å; L442-L466 HydrophobicContact CG-CD2 4.29Å
443S96.7Very high95.5Very high4 Ų467.9 Ų67.93%0.02835%0.351CS..Hα-helixtrans-62.6-43.4172.8-59.70000111.5I438 G439 Y440 L446 V447I438-S443 WeakPolarHBondContact CG1-OG 3.4Å; G439-S443 WeakPolarHBondContact O-CB 3.41Å; G439-S443 PolarHBondContact O-N 3.12Å; G439-S443 VanDerWaalsContact O-N 3.16Å; G439-S443 PolarHBondContact O-OG 3.37Å; Y440-S443 WeakPolarHBondContact O-CB 3.42Å; Y440-S443 PolarHBondContact O-N 3.4Å; Y440-S443 VanDerWaalsContact O-N 3.13Å; S443-L446 WeakPolarHBondContact O-CB 3.4Å; S443-L446 PolarHBondContact O-N 3.43Å; S443-V447 PolarHBondContact O-N 3.02Å
444A96.6Very high95.4Very high33 Ų3376.1 Ų76.127%0.27339%0.385SS..Hα-helixtrans-64-43.9175.800000111.8Y440 D441 L446 V447 Q448Y440-A444 PolarHBondContact O-N 3.07Å; D441-A444 PolarHBondContact O-N 2.94Å; A444-L446 VanDerWaalsContact C-N 3.29Å; A444-L446 PolarHBondContact O-N 3.22Å; A444-V447 PolarHBondContact O-N 3.27Å; A444-Q448 WeakPolarHBondContact O-CG 3.11Å; A444-Q448 PolarHBondContact O-N 3.43Å
445K96.3Very high95.3Very high119 Ų11978.8 Ų78.852%0.51740%0.397SS..Hα-helixtrans-61-38.6175.4-171.4177.9-179.8-177.10111.8D441 L442 Q448 H449D441-K445 WeakPolarHBondContact O-CB 3.31Å; D441-K445 PolarHBondContact O-N 3.12Å; L442-K445 PolarHBondContact O-N 2.95Å; K445-Q448 PolarHBondContact O-N 2.83Å; K445-H449 WeakPolarHBondContact O-CB 3.48Å; K445-H449 PolarHBondContact O-N 3.42Å
446L96.7Very high95.1Very high0 Ų078.5 Ų78.50%040%0.402CS..Hα-helixtrans-61.9-47.6175.1174.756.5000111.9V431 L434 L442 S443 A444 Q448 H449 A450 L457 S460 A461 L464 L466V431-L446 HydrophobicContact CG2-CD2 3.92Å; V431-L446 HydrophobicContact CG2-CG 4.32Å; L434-L446 HydrophobicContact CD1-CD2 3.79Å; L442-L446 WeakPolarHBondContact O-CB 3.3Å; L442-L446 PolarHBondContact O-N 3.39Å; S443-L446 WeakPolarHBondContact O-CB 3.4Å; S443-L446 PolarHBondContact O-N 3.43Å; A444-L446 VanDerWaalsContact C-N 3.29Å; A444-L446 PolarHBondContact O-N 3.22Å; L446-Q448 PolarHBondContact O-N 2.79Å; L446-H449 PolarHBondContact O-N 3.19Å; L446-A450 WeakPolarHBondContact O-CB 3.42Å; L446-A450 PolarHBondContact O-N 2.91Å; L446-L457 HydrophobicContact CD2-CD2 4.37Å; L446-L457 HydrophobicContact CG-CD2 4.02Å; L446-S460 VanDerWaalsContact CD1-C 3.43Å; L446-A461 HydrophobicContact CD1-CB 4.04Å; L446-A461 VanDerWaalsContact CD1-N 3.3Å; L446-A461 HydrophobicContact CD2-CB 4.06Å; L446-L464 HydrophobicContact CB-CD1 4.44Å; L446-L464 HydrophobicContact CD1-CD1 4.22Å; L446-L466 HydrophobicContact CB-CD1 3.98Å; L446-L466 HydrophobicContact CD2-CD1 4.49Å
447V96.1Very high95.3Very high32 Ų3273.6 Ų73.619%0.19437%0.37CS..Hα-helixtrans-61.3-44.7175.7172.70000111.7L428 V431 S443 A444 H449 A450 S451 L457L428-V447 HydrophobicContact CB-CG1 4.24Å; L428-V447 HydrophobicContact CD1-CG1 4.06Å; V431-V447 HydrophobicContact CB-CG2 3.87Å; V431-V447 HydrophobicContact CG1-CG2 3.51Å; V431-V447 HydrophobicContact CG2-CG2 4.02Å; S443-V447 PolarHBondContact O-N 3.02Å; A444-V447 PolarHBondContact O-N 3.27Å; V447-H449 VanDerWaalsContact C-N 3.29Å; V447-H449 PolarHBondContact O-N 3.42Å; V447-A450 PolarHBondContact O-N 3.15Å; V447-S451 VanDerWaalsContact O-CB 3.27Å; V447-S451 WeakPolarHBondContact O-CB 3.31Å; V447-S451 PolarHBondContact O-N 3.37Å; V447-L457 HydrophobicContact CG2-CD2 4.37Å
448Q96.1Very high95.4Very high137 Ų13773.1 Ų73.164%0.6436%0.364SS*.Hα-helixtrans-60.8-41.3178.1-72.8176.29.500111.5A444 K445 L446 K452A444-Q448 WeakPolarHBondContact O-CG 3.11Å; A444-Q448 PolarHBondContact O-N 3.43Å; K445-Q448 PolarHBondContact O-N 2.83Å; L446-Q448 PolarHBondContact O-N 2.79Å; Q448-K452 WeakPolarHBondContact O-CB 3.42Å; Q448-K452 PolarHBondContact O-N 3.23Å
449H97.2Very high95.4Very high33 Ų3376.1 Ų76.115%0.15338%0.377CS..Hα-helixtrans-64.7-51.3176.1-171.6-82000111.7K445 L446 V447 S451 K452 F453 S460 E463 L464K445-H449 WeakPolarHBondContact O-CB 3.48Å; K445-H449 PolarHBondContact O-N 3.42Å; L446-H449 PolarHBondContact O-N 3.19Å; V447-H449 VanDerWaalsContact C-N 3.29Å; V447-H449 PolarHBondContact O-N 3.42Å; H449-S451 VanDerWaalsContact C-N 3.31Å; H449-S451 PolarHBondContact O-N 3.37Å; H449-K452 PolarHBondContact O-N 2.99Å; H449-F453 AromaticContact CD2-CD2 3.61Å; H449-F453 AromaticContact CD2-CE2 3.49Å; H449-F453 VanDerWaalsContact CD2-CE2 3.49Å; H449-F453 WeakPolarHBondContact CD2-CE2 3.48Å; H449-F453 AromaticContact CE1-CD2 3.52Å; H449-F453 AromaticContact CE1-CE2 3.99Å; H449-F453 AromaticContact CG-CD2 3.82Å; H449-F453 AromaticContact ND1-CD2 3.77Å; H449-F453 AromaticContact NE2-CD2 3.41Å; H449-F453 WeakPolarHBondContact NE2-CD2 3.49Å; H449-F453 AromaticContact NE2-CE2 3.38Å; H449-F453 WeakPolarHBondContact NE2-CE2 3.26Å; H449-F453 VanDerWaalsContact O-CD2 3.31Å; H449-F453 WeakPolarHBondContact O-CD2 3.42Å; H449-F453 PolarHBondContact O-N 3.18Å; H449-S460 PolarHBondContact ND1-OG 3.02Å; H449-E463 IonicContact CE1-OE2 3.59Å; H449-E463 PolarHBondContact CE1-OE2 3.4Å; H449-L464 HydrophobicContact CB-CD1 3.73Å; H449-L464 HydrophobicContact CB-CG 4.37Å
450A96.1Very high95.4Very high1 Ų174.6 Ų74.61%0.00836%0.361CS..Hα-helixtrans-56.9-44.7178.900000111.8L428 L446 V447 K454 K455 L457 S460L428-A450 HydrophobicContact CD2-CB 3.68Å; L446-A450 WeakPolarHBondContact O-CB 3.42Å; L446-A450 PolarHBondContact O-N 2.91Å; V447-A450 PolarHBondContact O-N 3.15Å; A450-K454 CarbonylContact O-C 3.56Å; A450-K454 VanDerWaalsContact O-CA 3.29Å; A450-K454 WeakPolarHBondContact O-CA 3.41Å; A450-K454 PolarHBondContact O-N 3.36Å; A450-K455 WeakPolarHBondContact CB-O 3.28Å; A450-K455 PolarHBondContact O-N 3.33Å; A450-L457 HydrophobicContact CB-CD2 4.3Å; A450-S460 VanDerWaalsContact CA-OG 3.24Å; A450-S460 WeakPolarHBondContact CA-OG 3.37Å; A450-S460 WeakPolarHBondContact CB-OG 3.44Å
451S94.6Very high95.4Very high75 Ų7566.4 Ų66.452%0.52433%0.329SS..Hα-helixtrans-65.8-50.2176.9-177.80000112.4V447 H449 F453 K454V447-S451 VanDerWaalsContact O-CB 3.27Å; V447-S451 WeakPolarHBondContact O-CB 3.31Å; V447-S451 PolarHBondContact O-N 3.37Å; H449-S451 VanDerWaalsContact C-N 3.31Å; H449-S451 PolarHBondContact O-N 3.37Å; S451-F453 VanDerWaalsContact C-N 3.32Å; S451-F453 PolarHBondContact O-N 3.32Å; S451-K454 PolarHBondContact O-N 3.35Å
452K95.9Very high95.4Very high159 Ų15963.5 Ų63.569%0.69131%0.313SS*.Hα-helixtrans-59.3-42.2-178.3179.9177.7177.8-179.90112.4Q448 H449Q448-K452 WeakPolarHBondContact O-CB 3.42Å; Q448-K452 PolarHBondContact O-N 3.23Å; H449-K452 PolarHBondContact O-N 2.99Å
453F95.3Very high95.3Very high104 Ų10464.3 Ų64.346%0.45632%0.315SS..Hα-helixtrans-96.81.8-176.9-63.8-71.4000113.6H449 S451 K455H449-F453 AromaticContact CD2-CD2 3.61Å; H449-F453 AromaticContact CD2-CE2 3.49Å; H449-F453 VanDerWaalsContact CD2-CE2 3.49Å; H449-F453 WeakPolarHBondContact CD2-CE2 3.48Å; H449-F453 AromaticContact CE1-CD2 3.52Å; H449-F453 AromaticContact CE1-CE2 3.99Å; H449-F453 AromaticContact CG-CD2 3.82Å; H449-F453 AromaticContact ND1-CD2 3.77Å; H449-F453 AromaticContact NE2-CD2 3.41Å; H449-F453 WeakPolarHBondContact NE2-CD2 3.49Å; H449-F453 AromaticContact NE2-CE2 3.38Å; H449-F453 WeakPolarHBondContact NE2-CE2 3.26Å; H449-F453 VanDerWaalsContact O-CD2 3.31Å; H449-F453 WeakPolarHBondContact O-CD2 3.42Å; H449-F453 PolarHBondContact O-N 3.18Å; S451-F453 VanDerWaalsContact C-N 3.32Å; S451-F453 PolarHBondContact O-N 3.32Å; F453-K455 VanDerWaalsContact C-N 3.31Å; F453-K455 HydrophobicContact CB-CD 4.1Å; F453-K455 HydrophobicContact CB-CG 4.16Å; F453-K455 PolarHBondContact O-N 3.01Å
454K92.8Very high95.3Very high196 Ų19666.3 Ų66.385%0.85232%0.324SS*.THydrogen-bonded Turntrans53.744.9-178.1-57.6-176.2178.7-177.60113A450 S451A450-K454 CarbonylContact O-C 3.56Å; A450-K454 VanDerWaalsContact O-CA 3.29Å; A450-K454 WeakPolarHBondContact O-CA 3.41Å; A450-K454 PolarHBondContact O-N 3.36Å; S451-K454 PolarHBondContact O-N 3.35Å
455K91.4Very high95.2Very high56 Ų5671.8 Ų71.824%0.24335%0.349CS..  trans-111.4161.7-179-69.6-179173.1-146.30111.2A450 F453 E459 E463A450-K455 WeakPolarHBondContact CB-O 3.28Å; A450-K455 PolarHBondContact O-N 3.33Å; F453-K455 VanDerWaalsContact C-N 3.31Å; F453-K455 HydrophobicContact CB-CD 4.1Å; F453-K455 HydrophobicContact CB-CG 4.16Å; F453-K455 PolarHBondContact O-N 3.01Å; K455-E459 HydrophobicContact CD-CG 4.2Å; K455-E459 WeakPolarHBondContact CD-OE1 3.49Å; K455-E459 VanDerWaalsContact CE-OE1 3.27Å; K455-E459 WeakPolarHBondContact CE-OE1 3.22Å; K455-E459 IonicContact NZ-OE1 2.91Å; K455-E459 PolarHBondContact NZ-OE1 3.2Å; K455-E463 WeakPolarHBondContact CD-OE2 3.2Å; K455-E463 IonicContact NZ-OE1 3.57Å; K455-E463 PolarHBondContact NZ-OE1 3.32Å; K455-E463 IonicContact NZ-OE2 2.6Å; K455-E463 PolarHBondContact NZ-OE2 2.93Å
456G91.8Very high95.1Very high36 Ų3668 Ų6837%0.37134%0.335SS..  trans-68.3157.3169.300000111.9R458 E459 S460G456-R458 VanDerWaalsContact C-N 3.28Å; G456-R458 PolarHBondContact O-N 3.42Å; G456-E459 PolarHBondContact O-N 2.96Å; G456-S460 PolarHBondContact O-N 3Å; G456-S460 PolarHBondContact O-OG 2.82Å
457L95.1Very high94.9Very high10 Ų1069.4 Ų69.45%0.05234%0.342CS..Hα-helixtrans-58.2-40.8175-74.5172.3000111.9S427 L428 L430 V431 L446 V447 A450 S460 A461 F472S427-L457 WeakPolarHBondContact O-CD1 3.47Å; L428-L457 HydrophobicContact CD2-CD2 3.99Å; L428-L457 HydrophobicContact CD2-CG 3.95Å; L430-L457 HydrophobicContact CB-CD1 3.77Å; V431-L457 HydrophobicContact CB-CD1 4.15Å; V431-L457 HydrophobicContact CB-CD2 4.07Å; V431-L457 HydrophobicContact CG2-CD2 4.27Å; L446-L457 HydrophobicContact CD2-CD2 4.37Å; L446-L457 HydrophobicContact CG-CD2 4.02Å; V447-L457 HydrophobicContact CG2-CD2 4.37Å; A450-L457 HydrophobicContact CB-CD2 4.3Å; L457-S460 PolarHBondContact O-N 3.03Å; L457-A461 VanDerWaalsContact O-CB 3.3Å; L457-A461 WeakPolarHBondContact O-CB 3.3Å; L457-A461 PolarHBondContact O-N 3.33Å; L457-F472 HydrophobicContact CB-CE2 3.88Å; L457-F472 HydrophobicContact CB-CZ 3.65Å
458R94.7Very high94.8Very high103 Ų10371.4 Ų71.439%0.38936%0.356SS..Hα-helixtrans-59.8-50179-172.2-179.3-173.6-81.63.5112.3G456 A461 I462 F472 D473G456-R458 VanDerWaalsContact C-N 3.28Å; G456-R458 PolarHBondContact O-N 3.42Å; R458-A461 PolarHBondContact O-N 3.45Å; R458-I462 HydrophobicContact CG-CD1 4.45Å; R458-I462 WeakPolarHBondContact O-CG1 3.09Å; R458-I462 PolarHBondContact O-N 3.47Å; R458-F472 HydrophobicContact CB-CD1 3.73Å; R458-F472 HydrophobicContact CB-CE1 3.65Å; R458-F472 HydrophobicContact CB-CE2 4.42Å; R458-F472 HydrophobicContact CB-CG 4.19Å; R458-F472 HydrophobicContact CB-CZ 4.02Å; R458-F472 HydrophobicContact CG-CB 4.39Å; R458-F472 HydrophobicContact CG-CD1 3.69Å; R458-F472 HydrophobicContact CG-CE1 4.14Å; R458-F472 HydrophobicContact CG-CG 4.02Å; R458-D473 VanDerWaalsContact CD-OD1 3.28Å; R458-D473 WeakPolarHBondContact CD-OD1 3.3Å; R458-D473 IonicContact CZ-OD1 3.3Å; R458-D473 IonicContact CZ-OD2 2.72Å; R458-D473 VanDerWaalsContact CZ-OD2 3.31Å; R458-D473 VanDerWaalsContact NE-CG 3.3Å; R458-D473 IonicContact NE-OD1 3.31Å; R458-D473 PolarHBondContact NE-OD1 3.05Å; R458-D473 IonicContact NE-OD2 2.68Å; R458-D473 PolarHBondContact NE-OD2 2.85Å; R458-D473 IonicContact NH2-OD2 3.9Å; R458-D473 PolarHBondContact NH2-OD2 3.37Å
459E94.9Very high94.7Very high91 Ų9165.3 Ų65.343%0.42533%0.331SS..Hα-helixtrans-63.4-44.7179-169.8-174.1168.700110.8K455 G456 A461 I462 E463K455-E459 HydrophobicContact CD-CG 4.2Å; K455-E459 WeakPolarHBondContact CD-OE1 3.49Å; K455-E459 VanDerWaalsContact CE-OE1 3.27Å; K455-E459 WeakPolarHBondContact CE-OE1 3.22Å; K455-E459 IonicContact NZ-OE1 2.91Å; K455-E459 PolarHBondContact NZ-OE1 3.2Å; G456-E459 PolarHBondContact O-N 2.96Å; E459-A461 VanDerWaalsContact C-N 3.31Å; E459-A461 PolarHBondContact O-N 3.25Å; E459-I462 PolarHBondContact O-N 3.39Å; E459-E463 WeakPolarHBondContact O-CG 3.22Å; E459-E463 PolarHBondContact O-N 3.3Å
460S96.1Very high94.6Very high0 Ų071.4 Ų71.40%036%0.359CS..Hα-helixtrans-66-32.5178.8-62.90000113L446 H449 A450 G456 L457 I462 L464L446-S460 VanDerWaalsContact CD1-C 3.43Å; H449-S460 PolarHBondContact ND1-OG 3.02Å; A450-S460 VanDerWaalsContact CA-OG 3.24Å; A450-S460 WeakPolarHBondContact CA-OG 3.37Å; A450-S460 WeakPolarHBondContact CB-OG 3.44Å; G456-S460 PolarHBondContact O-N 3Å; G456-S460 PolarHBondContact O-OG 2.82Å; L457-S460 PolarHBondContact O-N 3.03Å; S460-I462 VanDerWaalsContact C-N 3.34Å; S460-L464 WeakPolarHBondContact O-CB 3.39Å; S460-L464 WeakPolarHBondContact O-CG 3.44Å; S460-L464 PolarHBondContact O-N 2.63Å
461A95.9Very high94.5Very high0 Ų075 Ų750%038%0.375CS..Hα-helixtrans-67.7-37177.200000111.8L446 L457 R458 E459 N465 L466 L467 F472L446-A461 HydrophobicContact CD1-CB 4.04Å; L446-A461 VanDerWaalsContact CD1-N 3.3Å; L446-A461 HydrophobicContact CD2-CB 4.06Å; L457-A461 VanDerWaalsContact O-CB 3.3Å; L457-A461 WeakPolarHBondContact O-CB 3.3Å; L457-A461 PolarHBondContact O-N 3.33Å; R458-A461 PolarHBondContact O-N 3.45Å; E459-A461 VanDerWaalsContact C-N 3.31Å; E459-A461 PolarHBondContact O-N 3.25Å; A461-N465 PolarHBondContact O-N 3.03Å; A461-L466 PolarHBondContact O-N 3.47Å; A461-L467 HydrophobicContact CB-CB 4.47Å; A461-L467 PolarHBondContact O-N 2.98Å; A461-F472 HydrophobicContact CB-CD2 3.89Å; A461-F472 HydrophobicContact CB-CE2 4.29Å
462I95.7Very high94.5Very high69 Ų6972.1 Ų72.135%0.35435%0.353SS..Hα-helixtrans-69.3-48.2175.2-64166.5000110R458 E459 S460 L464 N465R458-I462 HydrophobicContact CG-CD1 4.45Å; R458-I462 WeakPolarHBondContact O-CG1 3.09Å; R458-I462 PolarHBondContact O-N 3.47Å; E459-I462 PolarHBondContact O-N 3.39Å; S460-I462 VanDerWaalsContact C-N 3.34Å; I462-L464 VanDerWaalsContact C-N 3.32Å; I462-L464 PolarHBondContact O-N 3.41Å; I462-N465 PolarHBondContact O-N 2.84Å
463E96.1Very high94.4Very high93 Ų9368 Ų6844%0.43534%0.339SS..Hα-helixtrans-63.6-35.5-178.8-72-170.6144.700113.4H449 K455 E459 N465H449-E463 IonicContact CE1-OE2 3.59Å; H449-E463 PolarHBondContact CE1-OE2 3.4Å; K455-E463 WeakPolarHBondContact CD-OE2 3.2Å; K455-E463 IonicContact NZ-OE1 3.57Å; K455-E463 PolarHBondContact NZ-OE1 3.32Å; K455-E463 IonicContact NZ-OE2 2.6Å; K455-E463 PolarHBondContact NZ-OE2 2.93Å; E459-E463 WeakPolarHBondContact O-CG 3.22Å; E459-E463 PolarHBondContact O-N 3.3Å; E463-N465 PolarHBondContact O-N 2.92Å
464L95.7Very high94.4Very high45 Ų4568.2 Ų68.224%0.23634%0.341CS..THydrogen-bonded Turntrans-79.61.2175.5-69.6176.7000113.5L446 H449 S460 I462 L466L446-L464 HydrophobicContact CB-CD1 4.44Å; L446-L464 HydrophobicContact CD1-CD1 4.22Å; H449-L464 HydrophobicContact CB-CD1 3.73Å; H449-L464 HydrophobicContact CB-CG 4.37Å; S460-L464 WeakPolarHBondContact O-CB 3.39Å; S460-L464 WeakPolarHBondContact O-CG 3.44Å; S460-L464 PolarHBondContact O-N 2.63Å; I462-L464 VanDerWaalsContact C-N 3.32Å; I462-L464 PolarHBondContact O-N 3.41Å; L464-L466 HydrophobicContact CB-CD1 3.93Å; L464-L466 HydrophobicContact CB-CG 3.77Å; L464-L466 HydrophobicContact CD1-CD1 3.96Å; L464-L466 PolarHBondContact O-N 3.05Å
465N95Very high94.4Very high149 Ų14959.7 Ų59.780%0.79730%0.304SS*.THydrogen-bonded Turntrans52.536.1-174.1-64.7-55.5000113.2A461 I462 E463A461-N465 PolarHBondContact O-N 3.03Å; I462-N465 PolarHBondContact O-N 2.84Å; E463-N465 PolarHBondContact O-N 2.92Å
466L93.8Very high94.6Very high40 Ų4057.8 Ų57.821%0.20930%0.297CS..SBendtrans-86.2-43.2178-63.8175.6000111.3I438 L442 L446 A461 L464I438-L466 HydrophobicContact CD1-CD1 4.31Å; L442-L466 HydrophobicContact CB-CD2 4.16Å; L442-L466 HydrophobicContact CD1-CD2 3.96Å; L442-L466 HydrophobicContact CD2-CD2 4.06Å; L442-L466 HydrophobicContact CG-CD2 4.29Å; L446-L466 HydrophobicContact CB-CD1 3.98Å; L446-L466 HydrophobicContact CD2-CD1 4.49Å; A461-L466 PolarHBondContact O-N 3.47Å; L464-L466 HydrophobicContact CB-CD1 3.93Å; L464-L466 HydrophobicContact CB-CG 3.77Å; L464-L466 HydrophobicContact CD1-CD1 3.96Å; L464-L466 PolarHBondContact O-N 3.05Å
467L93.1Very high94.7Very high28 Ų2859.7 Ų59.715%0.14730%0.295CS..  trans-148.4145.1-178.4-67.4167.7000109.5L434 I438 A461 K471L434-L467 HydrophobicContact CD1-CD1 4.15Å; L434-L467 HydrophobicContact CD2-CD1 3.7Å; L434-L467 HydrophobicContact CG-CD1 4.48Å; I438-L467 HydrophobicContact CG2-CD1 4.12Å; I438-L467 HydrophobicContact CG2-CD2 4.15Å; I438-L467 HydrophobicContact CG2-CG 4.11Å; A461-L467 HydrophobicContact CB-CB 4.47Å; A461-L467 PolarHBondContact O-N 2.98Å; L467-K471 HydrophobicContact CD2-CB 4.44Å; L467-K471 HydrophobicContact CD2-CG 3.96Å
468C94Very high94.7Very high74 Ų7460.6 Ų60.650%0.530%0.302SS..  trans-73.4159.8165.568.70000110.4E470 K471 F472C468-E470 VanDerWaalsContact C-N 3.31Å; C468-E470 PolarHBondContact O-N 3.46Å; C468-K471 PolarHBondContact O-N 3.42Å; C468-K471 PolarHBondContact SG-N 2.9Å; C468-F472 PolarHBondContact O-N 2.88Å
469G93.2Very high94.7Very high10 Ų1059.5 Ų59.510%0.10330%0.302CS..Hα-helixtrans-56.9-42-179.200000113.4K471 F472 D473G469-K471 PolarHBondContact O-N 3.41Å; G469-F472 WeakPolarHBondContact O-CB 3.28Å; G469-F472 PolarHBondContact O-N 2.94Å; G469-D473 PolarHBondContact O-N 3.49Å; G469-D473 VanDerWaalsContact O-OD2 3.07Å
470E94.8Very high94.6Very high161 Ų16159.6 Ų59.675%0.75230%0.303SS*.Hα-helixtrans-61.7-44.9178.2-67.7177.3170.800112.2C468 F472 D473 E474C468-E470 VanDerWaalsContact C-N 3.31Å; C468-E470 PolarHBondContact O-N 3.46Å; E470-F472 VanDerWaalsContact C-N 3.33Å; E470-F472 PolarHBondContact O-N 3.45Å; E470-D473 PolarHBondContact O-N 2.96Å; E470-E474 WeakPolarHBondContact O-CB 3.49Å; E470-E474 PolarHBondContact O-N 2.92Å
471K93.8Very high94.6Very high77 Ų7761 Ų6134%0.33531%0.309SS..Hα-helixtrans-69.5-33.8179.1-168.654.6169.1-179.50111.9L467 C468 G469 E474 I475L467-K471 HydrophobicContact CD2-CB 4.44Å; L467-K471 HydrophobicContact CD2-CG 3.96Å; C468-K471 PolarHBondContact O-N 3.42Å; C468-K471 PolarHBondContact SG-N 2.9Å; G469-K471 PolarHBondContact O-N 3.41Å; K471-E474 HydrophobicContact CD-CB 4.42Å; K471-E474 WeakPolarHBondContact CD-OE2 3.42Å; K471-E474 IonicContact NZ-OE1 2.84Å; K471-E474 PolarHBondContact NZ-OE1 3.42Å; K471-E474 IonicContact NZ-OE2 2.97Å; K471-E474 PolarHBondContact NZ-OE2 3.48Å; K471-E474 PolarHBondContact O-N 3.5Å; K471-I475 HydrophobicContact CD-CD1 4.11Å; K471-I475 HydrophobicContact CD-CG1 4.35Å; K471-I475 HydrophobicContact CG-CD1 3.94Å; K471-I475 WeakPolarHBondContact O-CD1 3.12Å; K471-I475 VanDerWaalsContact O-CG1 3.27Å; K471-I475 WeakPolarHBondContact O-CG1 2.99Å; K471-I475 PolarHBondContact O-N 3.44Å
472F95.4Very high94.5Very high13 Ų1361.5 Ų61.56%0.05731%0.313CS..Hα-helixtrans-60.7-48.9171.7-174.5-80000110.7L434 L457 R458 A461 C468 G469 E470 E474 I475 V476L434-F472 HydrophobicContact CD1-CD2 4.09Å; L434-F472 HydrophobicContact CD1-CE2 3.78Å; L457-F472 HydrophobicContact CB-CE2 3.88Å; L457-F472 HydrophobicContact CB-CZ 3.65Å; R458-F472 HydrophobicContact CB-CD1 3.73Å; R458-F472 HydrophobicContact CB-CE1 3.65Å; R458-F472 HydrophobicContact CB-CE2 4.42Å; R458-F472 HydrophobicContact CB-CG 4.19Å; R458-F472 HydrophobicContact CB-CZ 4.02Å; R458-F472 HydrophobicContact CG-CB 4.39Å; R458-F472 HydrophobicContact CG-CD1 3.69Å; R458-F472 HydrophobicContact CG-CE1 4.14Å; R458-F472 HydrophobicContact CG-CG 4.02Å; A461-F472 HydrophobicContact CB-CD2 3.89Å; A461-F472 HydrophobicContact CB-CE2 4.29Å; C468-F472 PolarHBondContact O-N 2.88Å; G469-F472 WeakPolarHBondContact O-CB 3.28Å; G469-F472 PolarHBondContact O-N 2.94Å; E470-F472 VanDerWaalsContact C-N 3.33Å; E470-F472 PolarHBondContact O-N 3.45Å; F472-E474 VanDerWaalsContact C-N 3.29Å; F472-E474 PolarHBondContact O-N 3.06Å; F472-I475 PolarHBondContact O-N 3.24Å; F472-V476 HydrophobicContact CD1-CB 4.06Å; F472-V476 HydrophobicContact CD1-CG2 4.03Å; F472-V476 HydrophobicContact CD2-CG2 4.11Å; F472-V476 HydrophobicContact CE1-CB 3.67Å; F472-V476 HydrophobicContact CE1-CG1 3.96Å; F472-V476 HydrophobicContact CE1-CG2 3.75Å; F472-V476 HydrophobicContact CE2-CG2 3.86Å; F472-V476 HydrophobicContact CG-CG2 4.2Å; F472-V476 HydrophobicContact CZ-CB 4.01Å; F472-V476 HydrophobicContact CZ-CG1 4.07Å; F472-V476 HydrophobicContact CZ-CG2 3.65Å; F472-V476 WeakPolarHBondContact O-CB 3.43Å; F472-V476 WeakPolarHBondContact O-CG2 3.29Å; F472-V476 PolarHBondContact O-N 2.98Å
473D94.5Very high94.4Very high74 Ų7461.6 Ų61.640%0.39631%0.312SS..Hα-helixtrans-69.1-27.9-178-59.7-27.2000112.3R458 G469 E470R458-D473 VanDerWaalsContact CD-OD1 3.28Å; R458-D473 WeakPolarHBondContact CD-OD1 3.3Å; R458-D473 IonicContact CZ-OD1 3.3Å; R458-D473 IonicContact CZ-OD2 2.72Å; R458-D473 VanDerWaalsContact CZ-OD2 3.31Å; R458-D473 VanDerWaalsContact NE-CG 3.3Å; R458-D473 IonicContact NE-OD1 3.31Å; R458-D473 PolarHBondContact NE-OD1 3.05Å; R458-D473 IonicContact NE-OD2 2.68Å; R458-D473 PolarHBondContact NE-OD2 2.85Å; R458-D473 IonicContact NH2-OD2 3.9Å; R458-D473 PolarHBondContact NH2-OD2 3.37Å; G469-D473 PolarHBondContact O-N 3.49Å; G469-D473 VanDerWaalsContact O-OD2 3.07Å; E470-D473 PolarHBondContact O-N 2.96Å
474E93.9Very high94Very high108 Ų10863.2 Ų63.251%0.50533%0.33SS..Hα-helixtrans-66.3-40.1173.3-169.1-162.8138.500112.2E470 K471 F472 K477E470-E474 WeakPolarHBondContact O-CB 3.49Å; E470-E474 PolarHBondContact O-N 2.92Å; K471-E474 HydrophobicContact CD-CB 4.42Å; K471-E474 WeakPolarHBondContact CD-OE2 3.42Å; K471-E474 IonicContact NZ-OE1 2.84Å; K471-E474 PolarHBondContact NZ-OE1 3.42Å; K471-E474 IonicContact NZ-OE2 2.97Å; K471-E474 PolarHBondContact NZ-OE2 3.48Å; K471-E474 PolarHBondContact O-N 3.5Å; F472-E474 VanDerWaalsContact C-N 3.29Å; F472-E474 PolarHBondContact O-N 3.06Å; E474-K477 WeakPolarHBondContact O-CE 3.04Å; E474-K477 PolarHBondContact O-NZ 3.25Å
475I93.5Very high93.3Very high17 Ų1765.8 Ų65.89%0.08734%0.341CS..Hα-helixtrans-90-47.7-174.3-59.2166.3000111.4V433 L434 H437 K471 F472 K477V433-I475 HydrophobicContact CG1-CG2 4.1Å; V433-I475 HydrophobicContact CG2-CG2 4.3Å; L434-I475 HydrophobicContact CD2-CB 4.17Å; L434-I475 HydrophobicContact CD2-CD1 4.32Å; L434-I475 HydrophobicContact CD2-CG2 3.81Å; H437-I475 HydrophobicContact CB-CD1 4.34Å; K471-I475 HydrophobicContact CD-CD1 4.11Å; K471-I475 HydrophobicContact CD-CG1 4.35Å; K471-I475 HydrophobicContact CG-CD1 3.94Å; K471-I475 WeakPolarHBondContact O-CD1 3.12Å; K471-I475 VanDerWaalsContact O-CG1 3.27Å; K471-I475 WeakPolarHBondContact O-CG1 2.99Å; K471-I475 PolarHBondContact O-N 3.44Å; F472-I475 PolarHBondContact O-N 3.24Å; I475-K477 PolarHBondContact O-N 3.38Å
476V94.8Very high92.1Very high15 Ų1565.9 Ų65.99%0.09134%0.341CS..  trans-85.784-171-172.90000110.1L430 V433 L434 F472L430-V476 HydrophobicContact CB-CG1 3.82Å; L430-V476 HydrophobicContact CD1-CG1 4.12Å; L430-V476 HydrophobicContact CG-CG1 4.47Å; V433-V476 HydrophobicContact CG1-CB 4.38Å; V433-V476 HydrophobicContact CG1-CG1 4.47Å; V433-V476 HydrophobicContact CG1-CG2 3.89Å; L434-V476 HydrophobicContact CD1-CG2 4.26Å; L434-V476 HydrophobicContact CD2-CG2 3.52Å; L434-V476 HydrophobicContact CG-CG2 3.91Å; F472-V476 HydrophobicContact CD1-CB 4.06Å; F472-V476 HydrophobicContact CD1-CG2 4.03Å; F472-V476 HydrophobicContact CD2-CG2 4.11Å; F472-V476 HydrophobicContact CE1-CB 3.67Å; F472-V476 HydrophobicContact CE1-CG1 3.96Å; F472-V476 HydrophobicContact CE1-CG2 3.75Å; F472-V476 HydrophobicContact CE2-CG2 3.86Å; F472-V476 HydrophobicContact CG-CG2 4.2Å; F472-V476 HydrophobicContact CZ-CB 4.01Å; F472-V476 HydrophobicContact CZ-CG1 4.07Å; F472-V476 HydrophobicContact CZ-CG2 3.65Å; F472-V476 WeakPolarHBondContact O-CB 3.43Å; F472-V476 WeakPolarHBondContact O-CG2 3.29Å; F472-V476 PolarHBondContact O-N 2.98Å
477K94.4Very high90.4Very high77 Ų7771.9 Ų71.934%0.33537%0.373SS..  trans-117.8101.7177.2-66.6171.8-178.3160.50110.1E474 I475 M479 E480 M481E474-K477 WeakPolarHBondContact O-CE 3.04Å; E474-K477 PolarHBondContact O-NZ 3.25Å; I475-K477 PolarHBondContact O-N 3.38Å; K477-M479 PolarHBondContact O-N 3.1Å; K477-M479 VanDerWaalsContact O-N 3.08Å; K477-E480 HydrophobicContact CB-CB 4.14Å; K477-E480 HydrophobicContact CB-CG 4.01Å; K477-E480 HydrophobicContact CD-CG 4.13Å; K477-E480 WeakPolarHBondContact CD-OE1 3.44Å; K477-E480 IonicContact NZ-OE1 2.76Å; K477-E480 PolarHBondContact NZ-OE1 2.85Å; K477-E480 PolarHBondContact O-N 3.39Å; K477-M481 WeakPolarHBondContact O-CG 3.29Å; K477-M481 PolarHBondContact O-N 3.29Å
478P94.8Very high88.1Confident29 Ų2983.4 Ų83.419%0.18842%0.422CS..Hα-helixtrans-53.5-35-176.8-28.835000114.2I189 P201 V424 L430 M481 A482I189-P478 HydrophobicContact CG2-CB 3.93Å; P201-P478 HydrophobicContact CG-CB 4.44Å; V424-P478 HydrophobicContact CG1-CB 3.63Å; V424-P478 HydrophobicContact CG1-CG 3.57Å; L430-P478 HydrophobicContact CD1-CG 4.22Å; L430-P478 HydrophobicContact CD2-CB 4.4Å; L430-P478 HydrophobicContact CD2-CG 4.09Å; P478-M481 PolarHBondContact O-N 3.23Å; P478-A482 PolarHBondContact O-N 3.5Å
479M94.4Very high87.8Confident80 Ų8083.9 Ų83.939%0.39442%0.418SS..Hα-helixtrans-62.3-41.9175.2-172.568.2-172.900112.5N187 I189 K477 F483N187-M479 HydrophobicContact CB-CE 4.3Å; I189-M479 HydrophobicContact CD1-SD 3.55Å; I189-M479 VanDerWaalsContact CD1-SD 3.55Å; I189-M479 HydrophobicContact CG1-CB 4.32Å; I189-M479 HydrophobicContact CG1-SD 3.67Å; K477-M479 PolarHBondContact O-N 3.1Å; K477-M479 VanDerWaalsContact O-N 3.08Å; M479-F483 HydrophobicContact CE-CE2 3.84Å; M479-F483 HydrophobicContact CE-CZ 4.48Å; M479-F483 VanDerWaalsContact O-CD2 3.25Å; M479-F483 WeakPolarHBondContact O-CD2 3.31Å; M479-F483 HydrophobicContact SD-CE2 4.31Å
480E94.1Very high87.5Confident93 Ų9387.7 Ų87.744%0.43544%0.435SS..Hα-helixtrans-73.7-33.6178.1-61.5-176.3-163.300111K477 A482 F483 H485K477-E480 HydrophobicContact CB-CB 4.14Å; K477-E480 HydrophobicContact CB-CG 4.01Å; K477-E480 HydrophobicContact CD-CG 4.13Å; K477-E480 WeakPolarHBondContact CD-OE1 3.44Å; K477-E480 IonicContact NZ-OE1 2.76Å; K477-E480 PolarHBondContact NZ-OE1 2.85Å; K477-E480 PolarHBondContact O-N 3.39Å; E480-A482 PolarHBondContact O-N 3.02Å; E480-F483 PolarHBondContact O-N 3.01Å; E480-H485 PolarHBondContact O-CE1 3.37Å
481M95.3Very high87.1Confident29 Ų2983.7 Ų83.714%0.14342%0.417CS..Hα-helixtrans-66.7-21.4178-65.2179.265.500114P201 L430 V433 K477 P478 F483P201-M481 HydrophobicContact CG-CB 4.22Å; P201-M481 HydrophobicContact CG-CE 4.28Å; P201-M481 HydrophobicContact CG-SD 4.42Å; L430-M481 HydrophobicContact CD2-CE 4.17Å; L430-M481 HydrophobicContact CD2-SD 3.83Å; V433-M481 HydrophobicContact CB-CE 3.76Å; V433-M481 HydrophobicContact CB-CG 4.02Å; V433-M481 HydrophobicContact CB-SD 3.82Å; V433-M481 HydrophobicContact CG1-CE 4.07Å; V433-M481 HydrophobicContact CG1-CG 4.32Å; V433-M481 HydrophobicContact CG1-SD 3.68Å; V433-M481 HydrophobicContact CG2-CG 4.1Å; V433-M481 HydrophobicContact CG2-SD 4.5Å; K477-M481 WeakPolarHBondContact O-CG 3.29Å; K477-M481 PolarHBondContact O-N 3.29Å; P478-M481 PolarHBondContact O-N 3.23Å; M481-F483 PolarHBondContact O-N 3.44Å
482A94.7Very high86.7Confident10 Ų1084.1 Ų84.18%0.08342%0.422CS..THydrogen-bonded Turntrans-77.4-8.317800000113.4I189 Q206 P478 E480I189-A482 HydrophobicContact CD1-CB 3.63Å; Q206-A482 PolarHBondContact NE2-O 3.18Å; Q206-A482 PolarHBondContact OE1-O 2.87Å; P478-A482 PolarHBondContact O-N 3.5Å; E480-A482 PolarHBondContact O-N 3.02Å
483F93.7Very high86.2Confident72 Ų7288.5 Ų88.532%0.31645%0.445SS..SBendtrans-133.5156.2-177-57.7-84.2000111.4M479 E480 M481 H485M479-F483 HydrophobicContact CE-CE2 3.84Å; M479-F483 HydrophobicContact CE-CZ 4.48Å; M479-F483 VanDerWaalsContact O-CD2 3.25Å; M479-F483 WeakPolarHBondContact O-CD2 3.31Å; M479-F483 HydrophobicContact SD-CE2 4.31Å; E480-F483 PolarHBondContact O-N 3.01Å; M481-F483 PolarHBondContact O-N 3.44Å; F483-H485 PolarHBondContact O-N 3.34Å
484P87.7Confident85.6Confident126 Ų12689.5 Ų89.582%0.81845%0.448SS*.  trans-58133.2172.4-22.733.4000111.4
485H80.9Confident85Confident100 Ų10088.1 Ų88.146%0.46344%0.444SS..  trans-74140.1172.9-60.9-63000110.5E480 F483 N487E480-H485 PolarHBondContact O-CE1 3.37Å; F483-H485 PolarHBondContact O-N 3.34Å; H485-N487 PolarHBondContact O-N 2.91Å; H485-N487 VanDerWaalsContact O-N 3.16Å
486N69Low84.4Confident151 Ų15193.6 Ų93.681%0.80747%0.471SS*.  trans-70.6108.4161.3-78-30.3000107.1K488N486-K488 PolarHBondContact O-N 3.43Å
487N57.5Low83.5Confident165 Ų165100.2 Ų100.288%0.88250%0.503SS*.  trans-57.6105.2170.5-73.8-17.6000108.2H485H485-N487 PolarHBondContact O-N 2.91Å; H485-N487 VanDerWaalsContact O-N 3.16Å
488K45.3Very low82.5Confident270 Ų270102.3 Ų102.3100%1.17452%0.518SS*.  trans-112.70165.1-83.9-166.8176.4-176.60109N486N486-K488 PolarHBondContact O-N 3.43Å

Retrieved 488 of 488 residues in 571.5 ms (Link to these results)

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