A0A077ZK52_TRITR Loading...

Helix-turn-helix domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZK52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M61.5Low83.7Confident50 Ų5034.2 Ų34.225%0.24618%0.179CC..  08.90-71.4-171.7169.700113.1D3 Y4 E164 R318 A320M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.91Å; M1-Y4 PolarHBondContact O-N 3.11Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; M1-E164 VanDerWaalsContact CE-CD 3.44Å; M1-E164 HydrophobicContact CE-CG 3.51Å; M1-E164 WeakPolarHBondContact CE-OE1 3.33Å; M1-R318 PolarHBondContact O-NH1 3.09Å; M1-R318 HydrophobicContact SD-CG 4.35Å; M1-A320 WeakPolarHBondContact CB-O 3.01Å; M1-A320 PolarHBondContact N-O 3.14Å
2D75.9Confident82.7Confident88 Ų8837.1 Ų37.147%0.47120%0.203SC..THydrogen-bonded Turntrans-73.3-22.2-169.7-61.4-54.4000114.4Y4 K279D2-Y4 VanDerWaalsContact C-N 3.26Å; D2-Y4 PolarHBondContact O-N 3.48Å; D2-K279 WeakPolarHBondContact O-CD 3.42Å; D2-K279 WeakPolarHBondContact O-CE 3.45Å; D2-K279 PolarHBondContact O-NZ 3.09Å
3D83.2Confident81.3Confident123 Ų12339.8 Ų39.866%0.65822%0.221SC*.THydrogen-bonded Turntrans-80.7-4.7173.8-55.1-39.1000113.5M1 K278 K279M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.91Å; D3-K278 CarbonylContact O-C 3.57Å; D3-K278 WeakPolarHBondContact O-CA 3.2Å; D3-K279 PolarHBondContact O-N 3.45Å
4Y85.8Confident79.2Confident51 Ų5139 Ų3920%0.222%0.222CC..EExtended strand (participates in β ladder)trans-113.6156.5-177.1-66.9-93.1000111.6M1 D2 R264 I276 V277 K278 K279 R318M1-Y4 PolarHBondContact O-N 3.11Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; D2-Y4 VanDerWaalsContact C-N 3.26Å; D2-Y4 PolarHBondContact O-N 3.48Å; Y4-R264 HydrophobicContact CD1-CB 4.35Å; Y4-R264 HydrophobicContact CE1-CB 3.94Å; Y4-R264 HydrophobicContact CE1-CG 4.47Å; Y4-I276 HydrophobicContact CD1-CG2 4.04Å; Y4-I276 HydrophobicContact CG-CG2 4.33Å; Y4-V277 CarbonylContact C-O 3.56Å; Y4-V277 VanDerWaalsContact CA-O 3.31Å; Y4-V277 WeakPolarHBondContact CA-O 3.39Å; Y4-K278 HydrophobicContact CD1-CG 3.98Å; Y4-K278 HydrophobicContact CE1-CG 3.5Å; Y4-K279 WeakPolarHBondContact O-CE 3.35Å; Y4-R318 PolarHBondContact O-NH2 2.65Å
5M87.7Confident76.5Confident20 Ų2040.6 Ų40.610%0.09924%0.242CC..EExtended strand (participates in β ladder)trans-136.5140.6178.2178.416570.600109.5I7 V277 K279 E282 R303 E304M5-I7 HydrophobicContact CE-CG2 3.95Å; M5-I7 HydrophobicContact CG-CG2 4.33Å; M5-V277 PolarHBondContact N-O 3Å; M5-V277 PolarHBondContact O-N 3.03Å; M5-K279 HydrophobicContact CB-CG 3.99Å; M5-E282 HydrophobicContact CE-CB 3.98Å; M5-E282 HydrophobicContact CE-CG 3.66Å; M5-E282 WeakPolarHBondContact CE-OE1 3.01Å; M5-R303 HydrophobicContact CE-CB 4.25Å; M5-R303 HydrophobicContact CE-CG 4.13Å; M5-R303 HydrophobicContact SD-CB 4.2Å; M5-E304 HydrophobicContact CG-CB 4.47Å; M5-E304 HydrophobicContact CG-CG 3.71Å; M5-E304 HydrophobicContact SD-CG 4.26Å
6C89.3Confident73.8Confident2 Ų244.1 Ų44.11%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-84.8139.3170.3-46.60000109.5F274 A275 E304 L309C6-F274 HydrophobicContact CB-CE2 3.89Å; C6-F274 HydrophobicContact CB-CZ 4.02Å; C6-A275 WeakPolarHBondContact CA-O 3.49Å; C6-E304 WeakPolarHBondContact CB-OE2 3.37Å; C6-E304 PolarHBondContact N-OE2 2.81Å; C6-E304 WeakPolarHBondContact O-CB 3.09Å; C6-E304 PolarHBondContact O-N 3.18Å; C6-E304 PolarHBondContact SG-OE2 3.29Å; C6-E304 VanDerWaalsContact SG-OE2 3.39Å; C6-L309 HydrophobicContact CB-CB 4.33Å; C6-L309 HydrophobicContact CB-CD2 3.75Å
7I91.4Very high71.3Confident0 Ų044.9 Ų44.90%027%0.271CS..EExtended strand (participates in β ladder)trans-134.2151.7174.665173.3000110.1M5 V9 A275 V277 E282 L285 I301 E302M5-I7 HydrophobicContact CE-CG2 3.95Å; M5-I7 HydrophobicContact CG-CG2 4.33Å; I7-V9 HydrophobicContact CD1-CG2 4.03Å; I7-V9 HydrophobicContact CG1-CG2 4.4Å; I7-A275 HydrophobicContact CD1-CB 4.29Å; I7-A275 HydrophobicContact CG1-CB 3.86Å; I7-A275 PolarHBondContact N-O 3Å; I7-A275 PolarHBondContact O-N 2.86Å; I7-V277 HydrophobicContact CD1-CG2 3.56Å; I7-V277 HydrophobicContact CG1-CG2 3.98Å; I7-E282 HydrophobicContact CG2-CB 4.33Å; I7-L285 HydrophobicContact CD1-CD2 3.95Å; I7-I301 HydrophobicContact CD1-CG2 4.22Å; I7-E302 CarbonylContact C-O 3.57Å; I7-E302 VanDerWaalsContact CA-O 3.24Å; I7-E302 WeakPolarHBondContact CA-O 3.29Å; I7-E302 WeakPolarHBondContact CB-O 3.37Å
8V89.9Confident69Low5 Ų546.4 Ų46.43%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-102.2127.8162.5-176.70000107.7I273 I301 E302 L309 P310 L311V8-I273 CarbonylContact C-O 3.58Å; V8-I273 VanDerWaalsContact CA-O 3.23Å; V8-I273 WeakPolarHBondContact CA-O 3.1Å; V8-I301 CarbonylContact O-C 3.57Å; V8-I301 VanDerWaalsContact O-CA 3.26Å; V8-I301 WeakPolarHBondContact O-CA 3.43Å; V8-E302 HydrophobicContact CB-CB 4.29Å; V8-E302 PolarHBondContact N-O 2.91Å; V8-E302 PolarHBondContact O-N 3.03Å; V8-L309 HydrophobicContact CG2-CD1 4.1Å; V8-L309 HydrophobicContact CG2-CD2 3.57Å; V8-L309 HydrophobicContact CG2-CG 3.83Å; V8-P310 WeakPolarHBondContact CG2-O 3.09Å; V8-L311 HydrophobicContact CG1-CD1 3.94Å; V8-L311 HydrophobicContact CG2-CB 4.29Å; V8-L311 HydrophobicContact CG2-CD1 3.76Å
9V88.5Confident66.9Low0 Ų051.1 Ų51.10%030%0.296CS..EExtended strand (participates in β ladder)trans-101.6120.1168.8-168.40000107.4I7 F11 I273 L289 C299 T300 I301I7-V9 HydrophobicContact CD1-CG2 4.03Å; I7-V9 HydrophobicContact CG1-CG2 4.4Å; V9-F11 HydrophobicContact CB-CE2 4.08Å; V9-F11 HydrophobicContact CG1-CD2 4.39Å; V9-F11 HydrophobicContact CG1-CE2 3.62Å; V9-F11 HydrophobicContact CG1-CZ 3.9Å; V9-I273 HydrophobicContact CB-CB 4.13Å; V9-I273 PolarHBondContact N-O 2.81Å; V9-I273 PolarHBondContact O-N 2.92Å; V9-L289 HydrophobicContact CG1-CD1 3.91Å; V9-L289 HydrophobicContact CG2-CD1 4.46Å; V9-C299 HydrophobicContact CG1-CB 4.02Å; V9-T300 CarbonylContact C-O 3.51Å; V9-T300 VanDerWaalsContact CA-O 3.31Å; V9-T300 WeakPolarHBondContact CA-O 3.33Å; V9-I301 HydrophobicContact CB-CG2 4.46Å; V9-I301 HydrophobicContact CG1-CG2 4.32Å; V9-I301 HydrophobicContact CG2-CG2 4.03Å
10A86.3Confident65Low22 Ų2251.5 Ų51.518%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-106.6137.3175.300000109.8C299 T300A10-C299 CarbonylContact O-C 3.55Å; A10-C299 WeakPolarHBondContact O-CA 3.3Å; A10-T300 PolarHBondContact N-O 3.25Å; A10-T300 PolarHBondContact O-N 2.7Å
11F81.4Confident63.3Low15 Ų1558.4 Ų58.47%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-104.1116.5-177.5-70.1-99.7000110.8V9 M246 L249 D271 I273 L289 V297 C299V9-F11 HydrophobicContact CB-CE2 4.08Å; V9-F11 HydrophobicContact CG1-CD2 4.39Å; V9-F11 HydrophobicContact CG1-CE2 3.62Å; V9-F11 HydrophobicContact CG1-CZ 3.9Å; F11-M246 HydrophobicContact CB-CE 4.22Å; F11-M246 HydrophobicContact CB-SD 4.1Å; F11-M246 HydrophobicContact CD1-CE 3.49Å; F11-M246 VanDerWaalsContact CD1-CE 3.49Å; F11-M246 HydrophobicContact CD1-SD 3.69Å; F11-M246 HydrophobicContact CD2-CE 3.48Å; F11-M246 VanDerWaalsContact CD2-CE 3.48Å; F11-M246 HydrophobicContact CD2-SD 4.43Å; F11-M246 HydrophobicContact CE1-CE 3.59Å; F11-M246 HydrophobicContact CE1-SD 4.23Å; F11-M246 HydrophobicContact CE2-CE 3.66Å; F11-M246 HydrophobicContact CG-CE 3.42Å; F11-M246 VanDerWaalsContact CG-CE 3.42Å; F11-M246 HydrophobicContact CG-SD 3.79Å; F11-M246 HydrophobicContact CZ-CE 3.69Å; F11-L249 HydrophobicContact CD1-CD1 4.13Å; F11-L249 HydrophobicContact CE1-CD1 3.71Å; F11-L249 HydrophobicContact CE1-CD2 3.92Å; F11-L249 HydrophobicContact CZ-CD2 4.35Å; F11-D271 PolarHBondContact N-O 2.78Å; F11-I273 HydrophobicContact CD2-CD1 3.93Å; F11-I273 HydrophobicContact CD2-CG1 4.05Å; F11-I273 HydrophobicContact CE2-CB 4.32Å; F11-I273 HydrophobicContact CE2-CD1 3.1Å; F11-I273 HydrophobicContact CE2-CG1 3.52Å; F11-I273 HydrophobicContact CZ-CD1 3.65Å; F11-I273 HydrophobicContact CZ-CG1 4.5Å; F11-L289 HydrophobicContact CZ-CD1 4.44Å; F11-V297 HydrophobicContact CD1-CG1 3.7Å; F11-V297 HydrophobicContact CE1-CG1 4.47Å; F11-C299 WeakPolarHBondContact CD1-SG 3.49Å; F11-C299 HydrophobicContact CE1-CB 4.46Å; F11-C299 WeakPolarHBondContact CE1-SG 3.37Å
12C72.1Confident61.9Low69 Ų6966.6 Ų66.647%0.46635%0.353SS..EExtended strand (participates in β ladder)trans-99.5106.3167.5-76.80000108.5A14 S298C12-A14 PolarHBondContact O-N 3.19Å; C12-S298 WeakPolarHBondContact CA-O 3.24Å; C12-S298 WeakPolarHBondContact CB-O 3.2Å; C12-S298 WeakPolarHBondContact CB-OG 3.17Å; C12-S298 PolarHBondContact N-O 2.95Å; C12-S298 PolarHBondContact O-N 3.38Å; C12-S298 PolarHBondContact O-OG 3.22Å
13V64.5Low59.8Low73 Ų7366.4 Ų66.444%0.44236%0.355SS..EExtended strand (participates in β ladder)trans-68.7124.5164.5-175.90000107A15V13-A15 PolarHBondContact O-N 3.25Å
14A51.5Low57.2Low28 Ų2868.2 Ų68.223%0.23136%0.359CS..  trans-61.4110.6-176.300000109.4C12 S16 K296C12-A14 PolarHBondContact O-N 3.19Å; A14-S16 PolarHBondContact O-N 3.36Å; A14-K296 PolarHBondContact N-O 2.86Å
15A38.6Very low54.4Low63 Ų6371.1 Ų71.152%0.52138%0.384SS..  trans-70.917.5177.300000113V13 L17 F18V13-A15 PolarHBondContact O-N 3.25Å; A15-L17 PolarHBondContact O-N 2.85Å; A15-F18 PolarHBondContact O-N 2.93Å
16S33.7Very low51.6Low97 Ų9780.5 Ų80.568%0.67842%0.418SS*.THydrogen-bonded Turntrans-67.115.9-164.9-44.30000115.9A14A14-S16 PolarHBondContact O-N 3.36Å
17L30.4Very low48.6Very low57 Ų5792.1 Ų92.130%0.29846%0.462SS..THydrogen-bonded Turntrans-133.19.3161.9-77.1-162.6000114.8A15 L19 S20 N228 E229A15-L17 PolarHBondContact O-N 2.85Å; L17-L19 PolarHBondContact O-N 2.97Å; L17-S20 VanDerWaalsContact CD2-OG 3.31Å; L17-S20 WeakPolarHBondContact CD2-OG 3.46Å; L17-S20 PolarHBondContact O-N 3.43Å; L17-N228 VanDerWaalsContact CD1-C 3.41Å; L17-N228 HydrophobicContact CD1-CB 3.45Å; L17-N228 VanDerWaalsContact CD1-CB 3.45Å; L17-N228 WeakPolarHBondContact CD1-O 3.32Å; L17-N228 HydrophobicContact CG-CB 4.27Å; L17-N228 WeakPolarHBondContact CG-O 3.32Å; L17-E229 HydrophobicContact CD1-CG 3.7Å
18F30Very low45.8Very low72 Ų72100.5 Ų100.532%0.31650%0.501SS..Hα-helixtrans-68.1-26.8174.5-111.3-84.1000112.9A15 S20 P232 L233A15-F18 PolarHBondContact O-N 2.93Å; F18-S20 VanDerWaalsContact C-N 3.34Å; F18-P232 HydrophobicContact CZ-CB 4.22Å; F18-L233 HydrophobicContact CE2-CD1 4.33Å; F18-L233 HydrophobicContact CZ-CB 4.17Å; F18-L233 HydrophobicContact CZ-CD1 4.4Å
19L29.3Very low42.8Very low136 Ų136103.7 Ų103.771%0.71254%0.535SS*.Hα-helixtrans-70.9-28.1175.3-86.4146.9000112.3L17 Y21 T23L17-L19 PolarHBondContact O-N 2.97Å; L19-Y21 PolarHBondContact O-N 3.43Å; L19-T23 HydrophobicContact CD2-CG2 4.2Å; L19-T23 WeakPolarHBondContact O-CB 3.41Å; L19-T23 WeakPolarHBondContact O-CG2 3.41Å; L19-T23 PolarHBondContact O-N 2.95Å; L19-T23 PolarHBondContact O-OG1 2.79Å
20S29.4Very low40Very low59 Ų59114.7 Ų114.741%0.41358%0.577SS.*Hα-helixtrans-72.2-32.3-177.5-38.50000112.8L17 F18L17-S20 VanDerWaalsContact CD2-OG 3.31Å; L17-S20 WeakPolarHBondContact CD2-OG 3.46Å; L17-S20 PolarHBondContact O-N 3.43Å; F18-S20 VanDerWaalsContact C-N 3.34Å
21Y29.9Very low37.3Very low196 Ų196121.5 Ų121.577%0.76961%0.61SS**Hα-helixtrans-82.2-22.8-179.3-118-90.2000113.7L19L19-Y21 PolarHBondContact O-N 3.43Å
22W31.1Very low34.8Very low222 Ų222124.7 Ų124.784%0.84165%0.647SS**Hα-helixtrans-98.2-13.1175.9-90.586.6000114.1
23T32.1Very low32.6Very low84 Ų84128.2 Ų128.252%0.51567%0.666SS.*SBendtrans-102.313.2-179.960.80000114.4L19 P25L19-T23 HydrophobicContact CD2-CG2 4.2Å; L19-T23 WeakPolarHBondContact O-CB 3.41Å; L19-T23 WeakPolarHBondContact O-CG2 3.41Å; L19-T23 PolarHBondContact O-N 2.95Å; L19-T23 PolarHBondContact O-OG1 2.79Å; T23-P25 WeakPolarHBondContact O-CD 3.36Å
24H27.9Very low31.1Very low162 Ų162132.9 Ų132.975%0.7569%0.688SS**  trans-92.396.5164.5-93.820.3000110.4R26H24-R26 PolarHBondContact O-N 3.06Å; H24-R26 VanDerWaalsContact O-N 3.17Å
25P27.4Very low29.8Very low112 Ų112134.3 Ų134.373%0.72771%0.705SS**  trans-62.2121.7167.226.7-31000107.2T23 R27T23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-R27 PolarHBondContact O-N 2.79Å
26R29Very low29.2Very low216 Ų216142.6 Ų142.682%0.81572%0.723SS**  trans-50.2111161.6-83.7-170.6-178.7-171.72.6106.9H24 E28H24-R26 PolarHBondContact O-N 3.06Å; H24-R26 VanDerWaalsContact O-N 3.17Å; R26-E28 VanDerWaalsContact C-N 3.27Å; R26-E28 PolarHBondContact O-N 2.85Å
27R25.8Very low28.7Very low246 Ų246142.6 Ų142.693%0.92872%0.723SS**  trans-65.991.4167.6-88.3-174.2172.1179.7-1.2107.6P25P25-R27 PolarHBondContact O-N 2.79Å
28E32.2Very low28.4Very low176 Ų176149.5 Ų149.582%0.82275%0.75SS**  trans-155.2105161.5-115.4166.1-171.100109.1R26R26-E28 VanDerWaalsContact C-N 3.27Å; R26-E28 PolarHBondContact O-N 2.85Å
29G28.7Very low28.1Very low72 Ų72153.7 Ų153.774%0.74277%0.773SS**SBendtrans78.9101.3150.800000119.6
30R29.2Very low28Very low232 Ų232157.9 Ų157.988%0.87578%0.779SS**  trans62114143-59.3-178.9-154.1-173.26.1119.3
31N28.5Very low27.7Very low165 Ų165164.1 Ų164.188%0.88280%0.804SS**  trans63.8106.2142.5-59.3-8.6000118.6
32G30.2Very low27.7Very low82 Ų82160.7 Ų160.785%0.84581%0.806SS**  trans15882.6159.800000114.2
33V26.3Very low27.5Very low142 Ų142158.9 Ų158.986%0.86181%0.807SS**  trans-73.9127.7166.8174.10000108.4
34L31Very low27.1Very low172 Ų172162.9 Ų162.990%0.90182%0.82SS**  trans-167.6110.9151.2-101.4152.8000109.2
35G24.6Very low27.1Very low57 Ų57161.3 Ų161.359%0.58883%0.827SS**  trans-91.7-164.5174.300000113.4
36W26.2Very low27.1Very low238 Ų238159.9 Ų159.990%0.90283%0.832SS**  trans103.597.7162.5-56.890.7000117.8
37S23.2Very low26.8Very low97 Ų97160.6 Ų160.668%0.67884%0.835SS**  47.8139111.1-56.90000121.9
38K24.6Very low26.9Very low201 Ų201155.7 Ų155.787%0.87483%0.832SS**  trans92.3103.4157-62.2178.4177.51780117.6
39M23.8Very low26.5Very low160 Ų160152.9 Ų152.979%0.78882%0.822SS**  trans-165.3102.3150.8-153.1101.777.400104.3
40W26.5Very low26.4Very low225 Ų225156.5 Ų156.585%0.85283%0.825SS**  -176.9119.878.8-85.789000109.7
41M23Very low26.2Very low189 Ų189153 Ų15393%0.93182%0.822SS**  trans-164.1123.7150.6-82.7-148.7166.600107.4
42P30.2Very low26Very low125 Ų125151.4 Ų151.481%0.81282%0.818SS**PPolyproline II helixtrans-99.7125164.626.6-13000111
43H26.4Very low25.7Very low183 Ų183152.8 Ų152.885%0.84782%0.815SS**PPolyproline II helixtrans-77.4154.9171.8-143.1-88.3000110.8
44E25.4Very low25.6Very low169 Ų169151 Ų15179%0.7981%0.806SS**PPolyproline II helixtrans-53.8143.7177.4-61.9171.9144.600114.8
45S26.2Very low25.2Very low129 Ų129150.5 Ų150.590%0.90280%0.804SS**  trans166.5134.9131.246.80000111.5
46G28.2Very low25.3Very low81 Ų81153.9 Ų153.984%0.83581%0.813SS**  trans149.487.3164.300000115.3
47R21.9Very low25.2Very low231 Ų231149.5 Ų149.587%0.87281%0.812SS**  trans-56.9141.4158.4-79.4179.6-176.2160.50.2110.3
48V29.5Very low25.2Very low144 Ų144149.8 Ų149.887%0.87381%0.814SS**  trans-149.7118.8134.5-174.10000108
49D23.5Very low25.1Very low116 Ų116146.2 Ų146.262%0.6281%0.813SS**  trans-72.9168.5171.6-67.6-62.7000111.9
50D26Very low25.1Very low149 Ų149143.3 Ų143.380%0.79782%0.815SS**  trans81.6112.7158.4-50.3-35.9000118.2
51I25.8Very low24.9Very low157 Ų157139.3 Ų139.381%0.80582%0.815SS**  167.1112.394-73.8177.5000107
52V23.3Very low24.9Very low132 Ų132142.1 Ų142.180%0.882%0.815SS**  trans-82.4135.4166.41720000108.6
53S23.4Very low24.6Very low112 Ų112140.9 Ų140.978%0.78382%0.816SS**  trans-137.9125.7150.1-87.10000108.7
54P24.6Very low24.5Very low104 Ų104137.9 Ų137.968%0.67582%0.816SS**  trans-95.8122.2-176.734.5-26000109.8
55D24Very low24.3Very low162 Ų162138.2 Ų138.287%0.86682%0.822SS**  trans-167.582.5162-92.6-29.9000109.5
56V25.8Very low24.2Very low127 Ų127138.3 Ų138.377%0.7782%0.816SS**  trans-161.787.4141.1-170.40000108.4
57V23.2Very low24.1Very low147 Ų147140.1 Ų140.189%0.89181%0.813SS**  trans-99.5137.8155172.90000106.4
58S23.3Very low24.3Very low102 Ų102135.7 Ų135.771%0.71381%0.813SS**  trans111.686.5171.3-178.60000115.1
59C22.4Very low24Very low127 Ų127138.6 Ų138.686%0.85882%0.816SS**SBendtrans176.381.6137.7-920000109.9
60A24.2Very low24.1Very low99 Ų99136.1 Ų136.182%0.81882%0.818SS**  trans174.770.9151.700000111.3
61T22.7Very low24.1Very low140 Ų140138.5 Ų138.586%0.85982%0.824SS**  trans-142.993.9165.4-37.20000109.1
62R22.5Very low24Very low248 Ų248135.4 Ų135.494%0.93682%0.822SS**  trans165.5105.1151-98.4172.8179.9-167.50.1112.1
63A24.6Very low24.2Very low99 Ų99136.1 Ų136.182%0.81883%0.827SS**  trans179.170.2147.100000107.5
64S23.1Very low24.2Very low121 Ų121137.4 Ų137.485%0.84683%0.83SS**  34.8107.6105-740000116.3
65L23Very low24.3Very low176 Ų176135.8 Ų135.892%0.92183%0.833SS**  trans-67.4139.5163.3-74.5144.4000111.3
66V24Very low24.5Very low130 Ų130137.7 Ų137.779%0.78884%0.836SS**  trans-141.9124.6155-179.30000107.4
67P24.9Very low24.4Very low119 Ų119138 Ų13877%0.77384%0.838SS**  trans-97.9145.5168.834.9-26.1000110.7
68T27.2Very low24.4Very low139 Ų139141.9 Ų141.985%0.85384%0.837SS**  trans-131.6126.2162.834.30000109.7
69E22.5Very low24.6Very low204 Ų204147.6 Ų147.695%0.95384%0.843SS**  trans-79.9156.4173.5-61177.4149.700110.8
70G25.1Very low24.8Very low64 Ų64147.6 Ų147.666%0.6684%0.839SS**  trans150.2109.6152.700000118.5
71H27.2Very low24.7Very low199 Ų199151.6 Ų151.692%0.92184%0.838SS**  trans87.9121.3142.1-69.3-90.8000121.9
72A22.3Very low24.7Very low93 Ų93152.7 Ų152.777%0.76983%0.833SS**  trans-84.1151.2170.400000112.6
73V28.8Very low25Very low147 Ų147149 Ų14989%0.89183%0.83SS**  trans-138.9126.3159.3179.50000109.2
74T23.9Very low25Very low138 Ų138152.3 Ų152.385%0.84783%0.834SS**  trans-87.3151.9174.837.60000111.3
75G26.5Very low24.9Very low71 Ų71154.1 Ų154.173%0.73283%0.833SS**  trans154.3116.3156.600000119
76Q27.7Very low25.1Very low202 Ų202152.7 Ų152.794%0.94483%0.826SS**  trans90.1113.8140.3-74173.7-25.400122.4
77T22.6Very low25Very low133 Ų133156 Ų15682%0.81683%0.83SS**  trans-80.6146161.630.90000112.7
78R24.6Very low24.9Very low229 Ų229158.1 Ų158.186%0.86483%0.834SS**  156.5148.6129-97.9-178164.1176.8-3.2114.9
79R27.3Very low24.8Very low222 Ų222156.6 Ų156.684%0.83883%0.829SS**  trans95.2105.1156.3-74.1170.6-179.3-170.30.6117.2
80T26Very low24.9Very low127 Ų127153.2 Ų153.278%0.77983%0.826SS**  95.51096738.30000115.2
81K22Very low24.8Very low182 Ų182156 Ų15679%0.79184%0.836SS**  trans42.7137.8133.5-79.3-172.4173.2-168.40124.9
82E23.8Very low24.8Very low163 Ų163150.5 Ų150.576%0.76282%0.824SS**  trans85.8115.8139.7-78.2171.2-156.800122.4
83I27.4Very low25.1Very low170 Ų170158.1 Ų158.187%0.87283%0.833SS**  trans-157.399.4140-56.4-171.9000107
84L24.4Very low25Very low169 Ų169154.5 Ų154.589%0.88583%0.825SS**  81.1124.683-151.279.9000116.9
85L22.9Very low25Very low160 Ų160160 Ų16084%0.83883%0.831SS**  trans-69.4161.4178.7-85.4140.8000115.8
86L25.3Very low25.1Very low146 Ų146161.8 Ų161.876%0.76483%0.829SS**  trans168.4124.2134.9-86.6164.1000108.1
87F23.1Very low25.1Very low199 Ų199157.2 Ų157.287%0.87382%0.82SS**  -165.8137.281.8-103.2-91.3000111.6
88L22.3Very low25.3Very low164 Ų164159.4 Ų159.486%0.85982%0.821SS**  trans-104.1163.1174.2-94.9159.7000111.2
89S24.6Very low25.3Very low107 Ų107157.3 Ų157.375%0.74882%0.821SS**  trans93.1109.2157.379.50000118.7
90C24.8Very low25.5Very low132 Ų132154.2 Ų154.289%0.89283%0.826SS**  -176.3113.7101.8-106.10000110.5
91S23.8Very low25.6Very low124 Ų124151.9 Ų151.987%0.86783%0.827SS**  trans-92.4153.2168.5-138.80000109.6
92A27.1Very low25.9Very low82 Ų82147 Ų14768%0.67883%0.829SS**  trans104.4130.4152.700000119.7
93R28.5Very low26.1Very low253 Ų253150.4 Ų150.496%0.95584%0.835SS**  trans81.7127.5163.7-47.1176.2-162.5-164.93.8114.2
94G26.6Very low26.2Very low71 Ų71149 Ų14973%0.73283%0.829SS**  cis160.6128.63.900000109
95R24.8Very low26.5Very low253 Ų253150.2 Ų150.296%0.95583%0.83SS**  trans71.2153.5155.9-76.2-163.4-171.6-159.73.7122.1
96P28.3Very low26.7Very low109 Ų109148.1 Ų148.171%0.70883%0.829SS**  trans-115.7173.4-148.141.5-28.7000113.8
97S26.1Very low26.9Very low107 Ų107149 Ų14975%0.74883%0.831SS**  trans169.8145.1136.7-80.30000114.8
98Q28.7Very low27.1Very low178 Ų178144.7 Ų144.783%0.83282%0.818SS**  trans67.5106.9153-71.7174.5-12.500119.1
99E24.6Very low27.6Very low185 Ų185143.9 Ų143.986%0.86481%0.813SS**  76.4147.773.8-87.2-160.316300115.7
100V30.3Very low27.9Very low157 Ų157143.7 Ų143.795%0.95281%0.807SS**  trans102.5115-177.7-174.30000111.9
101G28.9Very low28.2Very low78 Ų78141.5 Ų141.580%0.80479%0.79SS**  cis165.8130.22.400000107.5
102G28.3Very low28.5Very low80 Ų80138.7 Ų138.783%0.82578%0.775SS**  trans178.975.4-177.300000115.6
103R28.2Very low28.5Very low234 Ų234144.4 Ų144.488%0.88378%0.779SS**  trans-32.6148.2157.7-72.8176.5-166.9175.63.2113.3
104N28.4Very low28.5Very low141 Ų141136.9 Ų136.975%0.75476%0.764SS**  cis-161.3147.914.6-79.6-35.4000104.8
105Q30.6Very low28.6Very low194 Ų194139.8 Ų139.891%0.90776%0.76SS**  -164.3139.567.9-75.41772.200109
106S27.9Very low28.8Very low116 Ų116134.9 Ų134.981%0.81175%0.748SS**PPolyproline II helixtrans-74.7126.1-170.255.80000114.4
107M29Very low28.7Very low165 Ų165136.9 Ų136.981%0.81375%0.747SS**PPolyproline II helixtrans-83.3134.2150-91.3-170.867.800109.3L109M107-L109 PolarHBondContact O-N 2.72Å
108N28.1Very low28.8Very low109 Ų109137 Ų13758%0.58375%0.747SS**PPolyproline II helixtrans-57.7126.8-175.1-113.7-25.9000112.5T110 T111N108-T110 PolarHBondContact O-N 3.38Å; N108-T111 PolarHBondContact O-N 2.84Å
109L31.4Very low28.7Very low147 Ų147135.9 Ų135.977%0.7775%0.746SS**THydrogen-bonded Turntrans-65.10.5179.7-115.282.6000114.8M107M107-L109 PolarHBondContact O-N 2.72Å
110T30.2Very low28.8Very low102 Ų102131.9 Ų131.963%0.62674%0.735SS**Hα-helixtrans-87.9-22.9-179.9-17.10000112.9N108N108-T110 PolarHBondContact O-N 3.38Å
111T32.3Very low28.6Very low87 Ų87131.1 Ų131.153%0.53473%0.725SS.*Hα-helixtrans-84.8-20.7-178.6-35.50000112.7N108N108-T111 PolarHBondContact O-N 2.84Å
112A29.5Very low28.4Very low65 Ų65134.9 Ų134.954%0.53772%0.723SS.*Hα-helixtrans-79-28.4177.200000113.1
113R27.4Very low28.1Very low201 Ų201140.6 Ų140.676%0.75873%0.729SS**Hα-helixtrans-79.6-19.4179.1-81-175.8169.8-179.5-2.5114.7M115R113-M115 VanDerWaalsContact C-N 3.35Å
114C27.8Very low27.9Very low96 Ų96138.2 Ų138.265%0.64973%0.725SS**Hα-helixtrans-78.1-17.1174.4-77.10000113.6
115M29.4Very low27.5Very low132 Ų132139.8 Ų139.865%0.6573%0.732SS**Hα-helixtrans-87.3-26.9178.4-79-170.9-87.400113.5R113 H117R113-M115 VanDerWaalsContact C-N 3.35Å; M115-H117 VanDerWaalsContact C-N 3.33Å
116E28.8Very low27.1Very low150 Ų150136.9 Ų136.970%0.70173%0.727SS**Hα-helixtrans-73.7-22.3174.8-80.9-175.9149.100113.5T120E116-T120 PolarHBondContact O-OG1 3.22Å
117H26.1Very low26.9Very low150 Ų150136.1 Ų136.169%0.69473%0.728SS**THydrogen-bonded Turntrans-87.4-7.7-174.9-139.9-68.9000114.6M115M115-H117 VanDerWaalsContact C-N 3.33Å
118C27.7Very low26.8Very low111 Ų111133 Ų13375%0.7572%0.722SS**SBendtrans-99.1-12.8176-82.90000113.8
119L28Very low26.7Very low153 Ų153135.2 Ų135.280%0.80173%0.734SS**SBendtrans-964.1-174.8-72.2170.3000114.3
120T25.8Very low26.5Very low102 Ų102131.8 Ų131.863%0.62673%0.734SS**SBendtrans-108.74.8-171.426.80000115.6E116E116-T120 PolarHBondContact O-OG1 3.22Å
121N26Very low26.3Very low140 Ų140136.6 Ų136.675%0.74975%0.749SS**  trans-132.545.3-172.6-81.8-24.8000115.8
122M25.3Very low25.8Very low157 Ų157140.9 Ų140.977%0.77376%0.763SS**  trans-132.797.4166.5-70.6-167.8-16600111.6
123E22.5Very low25.6Very low200 Ų200144.3 Ų144.394%0.93578%0.778SS**  trans-76.9138.9169.1-72.6-178.3144.100111.2
124F22.6Very low25.4Very low185 Ų185140 Ų14081%0.81178%0.778SS**  trans-93.2147.8176.1-75.7-96.8000111.6
125I21.6Very low25.4Very low174 Ų174142 Ų14289%0.89279%0.787SS**  trans-125125163.2-60.3178.4000108.9
126V22.2Very low25.2Very low132 Ų132140.3 Ų140.380%0.879%0.789SS**  trans-104140.3-180172.50000109.6
127A24.1Very low25Very low101 Ų101141.9 Ų141.984%0.83580%0.796SS**  trans-142.9133.6158.500000110.8
128S25.5Very low24.9Very low98 Ų98146.9 Ų146.969%0.68581%0.808SS**  trans-91.1-177.2-169.853.80000113.8
129N27.4Very low24.8Very low157 Ų157150.1 Ų150.184%0.8481%0.812SS**  trans105.2109.8168.3-43.8-8.4000110.9
130G25.2Very low24.6Very low75 Ų75151.5 Ų151.577%0.77382%0.815SS**  cis117.393.820.800000108.7
131E26.4Very low24.4Very low202 Ų202158.5 Ų158.594%0.94483%0.83SS**  trans176.9126.7148.4-100.6175179.300111
132E22.7Very low24.2Very low177 Ų177163.3 Ų163.383%0.82784%0.838SS**  trans-86.6139.8177.9-75.4-178.5142.700111.5
133V24.8Very low24.1Very low138 Ų138159.5 Ų159.584%0.83684%0.839SS**  trans-131.6121.9158.5-176.90000109.4
134S23.1Very low24.3Very low111 Ų111155.7 Ų155.778%0.77683%0.829SS**  trans-68.3134.2178.455.80000113.1
135V27.2Very low24.5Very low136 Ų136154.4 Ų154.482%0.82483%0.831SS**  trans-127.9101.8159.3179.10000108.8
136S26Very low24.7Very low98 Ų98151.8 Ų151.869%0.68582%0.823SS**  trans-68.1155.3160.484.40000109.9
137Q25.1Very low24.8Very low182 Ų182152.3 Ų152.385%0.8582%0.817SS**  trans93.775.3178.3-60-179.7-25.500116.4
138R23.1Very low24.8Very low255 Ų255155 Ų15596%0.96282%0.822SS**  trans-167.574.9142-111.6177.5-163.4-164.85.1110.3
139E25.2Very low24.9Very low179 Ų179157.4 Ų157.484%0.83682%0.823SS**  trans-112.5108.3162.6-75.7-166.6150.300108.5
140Q23.9Very low24.8Very low183 Ų183158.1 Ų158.186%0.85582%0.821SS**  trans-17566.8148-108.6178.7-1.500110.6
141W21.9Very low24.8Very low249 Ų249165.6 Ų165.694%0.94383%0.825SS**  trans-151.299.3155.9-78.294.5000108.3
142W22.4Very low24.9Very low240 Ų240157.7 Ų157.791%0.90980%0.798SS**  trans-138.4133.3162.3-76.8116000109.6
143G24Very low25.2Very low77 Ų77157.6 Ų157.679%0.79480%0.798SS**  trans163.143.7176.100000111.2
144V26.3Very low25.5Very low120 Ų120154.9 Ų154.973%0.72778%0.775SS**  trans-86.1110.8170.4173.60000106.6
145D26.6Very low25.9Very low158 Ų158152.1 Ų152.185%0.84576%0.759SS**  trans-97133.9155.6-105-38.6000109.6
146T24.8Very low26.4Very low119 Ų119149.2 Ų149.273%0.7375%0.745SS**  trans-67.8118-166.7440000113.4
147Q25.7Very low27.2Very low143 Ų143150.4 Ų150.467%0.66874%0.737SS**  trans-146.8125.3138.3-75-155.2-8.300109.9H149Q147-H149 PolarHBondContact O-N 3.29Å
148V24Very low27.9Very low157 Ų157144 Ų14495%0.95271%0.711SS**  trans-64.397.1178.7176.60000108.8
149H26.3Very low28.5Very low150 Ų150136.9 Ų136.969%0.69469%0.692SS**  trans-118.7129.6162.5-105.3-50.3000108Q147 R151Q147-H149 PolarHBondContact O-N 3.29Å; H149-R151 VanDerWaalsContact C-N 3.32Å; H149-R151 PolarHBondContact O-N 3.14Å
150Q26.1Very low29Very low172 Ų172133.5 Ų133.580%0.80469%0.688SS**  trans-45.594.7169.6-69.3171.1-2100109.2G152Q150-G152 PolarHBondContact O-N 2.99Å
151R26.1Very low29.5Very low231 Ų231135.1 Ų135.187%0.87269%0.686SS**  trans-81.9106.8170.5-86.6-174.3171.4-162.8-1.8106.2H149 E153H149-R151 VanDerWaalsContact C-N 3.32Å; H149-R151 PolarHBondContact O-N 3.14Å; R151-E153 PolarHBondContact O-N 2.76Å
152G27.7Very low30.4Very low36 Ų36125.4 Ų125.437%0.37166%0.655SS.*  trans-63.1114.3150.800000106.2Q150 F154Q150-G152 PolarHBondContact O-N 2.99Å; G152-F154 PolarHBondContact O-N 2.99Å
153E29.3Very low31.3Very low176 Ų176122.9 Ų122.982%0.82265%0.653SS**  trans-67.8117.7175.4-74-173.8147.800108.3R151 A155R151-E153 PolarHBondContact O-N 2.76Å; E153-A155 PolarHBondContact O-N 2.91Å
154F30Very low32.4Very low80 Ų80120.6 Ų120.635%0.35162%0.621SS.*  trans-65.3101.8170.9-85-83.9000109.4G152 S156 F172 E176G152-F154 PolarHBondContact O-N 2.99Å; F154-S156 PolarHBondContact O-N 3.25Å; F154-F172 HydrophobicContact CE1-CB 3.91Å; F154-F172 AromaticContact CE1-CD1 3.83Å; F154-F172 HydrophobicContact CE1-CD1 3.83Å; F154-F172 HydrophobicContact CE1-CG 4.11Å; F154-F172 HydrophobicContact CZ-CB 3.99Å; F154-F172 HydrophobicContact CZ-CD1 4.37Å; F154-E176 HydrophobicContact CE2-CG 4.19Å; F154-E176 VanDerWaalsContact CE2-OE1 3.22Å; F154-E176 WeakPolarHBondContact CE2-OE1 3.14Å; F154-E176 HydrophobicContact CZ-CG 4.11Å
155A32.8Very low33Very low53 Ų53116.2 Ų116.244%0.43860%0.598SS.*  trans-61.1105.3161.600000108.5E153E153-A155 PolarHBondContact O-N 2.91Å
156S36.3Very low33.9Very low76 Ų76110.5 Ų110.553%0.53158%0.576SS.*  trans-104.3106.3174.266.20000110.1F154 K267F154-S156 PolarHBondContact O-N 3.25Å; S156-K267 VanDerWaalsContact CB-NZ 3.34Å
157K44.5Very low35Very low122 Ų122107 Ų10753%0.5355%0.553SS.*  trans-94.7103.2153.9-80.2178.1179.81720107.2F254K157-F254 HydrophobicContact CD-CB 4.11Å; K157-F254 VanDerWaalsContact NZ-C 3.28Å; K157-F254 PolarHBondContact NZ-O 2.76Å
158V38.7Very low35.9Very low48 Ų48100.2 Ų100.229%0.29152%0.521SS..BIsolated β-bridgetrans-130.6131179.6176.20000107.9S160 A165 L265V158-S160 PolarHBondContact O-N 3.49Å; V158-S160 VanDerWaalsContact O-N 3.11Å; V158-A165 HydrophobicContact CG1-CB 3.56Å; V158-L265 HydrophobicContact CG2-CD1 4.49Å
159D36.5Very low37Very low106 Ų10697.4 Ų97.457%0.56750%0.5SS*.  trans-67.3107.1162.4-170.4-4.7000108.2R161D159-R161 PolarHBondContact O-N 3.45Å
160S35.3Very low38.2Very low108 Ų10898 Ų9876%0.75550%0.497SS*.THydrogen-bonded Turntrans-62.812.4-166.958.50000116.9V158V158-S160 PolarHBondContact O-N 3.49Å; V158-S160 VanDerWaalsContact O-N 3.11Å
161R33.6Very low39.2Very low217 Ų21790.7 Ų90.782%0.81946%0.463SS*.THydrogen-bonded Turntrans-112.46.1-165.9-69.2-175.5174.9-176.80.3116.3D159D159-R161 PolarHBondContact O-N 3.45Å
162T41.1Very low40.3Very low45 Ų4579.9 Ų79.928%0.27642%0.423SS..  trans-128.1137.5-173.255.30000113E164 A165T162-E164 PolarHBondContact O-N 3.48Å; T162-E164 PolarHBondContact OG1-OE2 3.21Å; T162-A165 WeakPolarHBondContact O-CB 3.46Å; T162-A165 PolarHBondContact O-N 3.41Å
163E41.3Very low41.4Very low186 Ų18680.9 Ų80.987%0.86942%0.422SS*.Hα-helixtrans-50.5-23.1171.4-71.8-174.414400112.7A165 G166 L167E163-A165 VanDerWaalsContact C-N 3.27Å; E163-A165 PolarHBondContact O-N 3Å; E163-G166 PolarHBondContact O-N 3.4Å; E163-G166 VanDerWaalsContact O-N 3.09Å; E163-L167 PolarHBondContact O-N 2.99Å
164E46.9Very low42.5Very low29 Ų2975.8 Ų75.814%0.13640%0.398CS..Hα-helixtrans-56.3-36173.9-58.3169.3179.500113M1 T162 G166 L167 C168 R264M1-E164 VanDerWaalsContact CE-CD 3.44Å; M1-E164 HydrophobicContact CE-CG 3.51Å; M1-E164 WeakPolarHBondContact CE-OE1 3.33Å; T162-E164 PolarHBondContact O-N 3.48Å; T162-E164 PolarHBondContact OG1-OE2 3.21Å; E164-G166 VanDerWaalsContact C-N 3.29Å; E164-G166 PolarHBondContact O-N 2.82Å; E164-L167 PolarHBondContact O-N 3.47Å; E164-C168 PolarHBondContact O-N 2.66Å; E164-C168 PolarHBondContact O-SG 3.34Å; E164-R264 IonicContact OE1-CZ 3.64Å; E164-R264 IonicContact OE1-NE 3.83Å; E164-R264 IonicContact OE1-NH2 2.84Å; E164-R264 PolarHBondContact OE1-NH2 2.93Å; E164-R264 IonicContact OE2-CZ 3.16Å; E164-R264 IonicContact OE2-NE 2.72Å; E164-R264 PolarHBondContact OE2-NE 2.9Å; E164-R264 IonicContact OE2-NH2 2.79Å; E164-R264 PolarHBondContact OE2-NH2 3.22Å
165A39.6Very low43.3Very low29 Ų2972.1 Ų72.124%0.2438%0.382CS..Hα-helixtrans-61-40175.100000111.8V158 T162 E163 L169V158-A165 HydrophobicContact CG1-CB 3.56Å; T162-A165 WeakPolarHBondContact O-CB 3.46Å; T162-A165 PolarHBondContact O-N 3.41Å; E163-A165 VanDerWaalsContact C-N 3.27Å; E163-A165 PolarHBondContact O-N 3Å; A165-L169 WeakPolarHBondContact O-CB 3.12Å; A165-L169 PolarHBondContact O-N 3.24Å
166G44.5Very low43.9Very low37 Ų3773.1 Ų73.138%0.38138%0.377SS..Hα-helixtrans-68.2-38.3177.500000112.5E163 E164 L169 R170E163-G166 PolarHBondContact O-N 3.4Å; E163-G166 VanDerWaalsContact O-N 3.09Å; E164-G166 VanDerWaalsContact C-N 3.29Å; E164-G166 PolarHBondContact O-N 2.82Å; G166-L169 PolarHBondContact O-N 3.27Å; G166-R170 WeakPolarHBondContact O-CG 3.37Å; G166-R170 PolarHBondContact O-N 3.35Å
167L48.8Very low44Very low45 Ų4572.6 Ų72.624%0.23637%0.374CS..Hα-helixtrans-64.7-44.7175.6-84.2157.1000112E163 E164 R170 V171E163-L167 PolarHBondContact O-N 2.99Å; E164-L167 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.31Å; L167-V171 WeakPolarHBondContact O-CG2 3.35Å; L167-V171 PolarHBondContact O-N 2.93Å
168C45.6Very low43.7Very low2 Ų268 Ų681%0.01436%0.355CS..Hα-helixtrans-66.8-41.7177.3-62.70000111E164 R170 V171 F172 L265E164-C168 PolarHBondContact O-N 2.66Å; E164-C168 PolarHBondContact O-SG 3.34Å; C168-R170 PolarHBondContact O-N 3.04Å; C168-V171 PolarHBondContact O-N 2.94Å; C168-V171 VanDerWaalsContact O-N 3.14Å; C168-F172 VanDerWaalsContact O-CD2 3.24Å; C168-F172 WeakPolarHBondContact O-CD2 3.14Å; C168-F172 PolarHBondContact O-N 3.01Å; C168-L265 HydrophobicContact CB-CD1 3.78Å; C168-L265 HydrophobicContact CB-CD2 3.93Å; C168-L265 HydrophobicContact CB-CG 4.46Å; C168-L265 WeakPolarHBondContact SG-CD2 3.45Å
169L46.6Very low43.7Very low98 Ų9868.8 Ų68.851%0.51336%0.355SS..Hα-helixtrans-57.5-38.2173.8-157.772.8000111.6A165 G166 T173A165-L169 WeakPolarHBondContact O-CB 3.12Å; A165-L169 PolarHBondContact O-N 3.24Å; G166-L169 PolarHBondContact O-N 3.27Å; L169-T173 HydrophobicContact CG-CG2 4.41Å; L169-T173 VanDerWaalsContact O-CB 3.3Å; L169-T173 WeakPolarHBondContact O-CB 3.43Å; L169-T173 WeakPolarHBondContact O-CG2 3.31Å; L169-T173 PolarHBondContact O-N 3.09Å; L169-T173 PolarHBondContact O-OG1 3.49Å
170R51.5Low43.8Very low162 Ų16268 Ų6861%0.61135%0.35SS*.Hα-helixtrans-68.4-40.9174.6-72.2179-171.6-172.43.7113.5G166 L167 C168 T173 H174G166-R170 WeakPolarHBondContact O-CG 3.37Å; G166-R170 PolarHBondContact O-N 3.35Å; L167-R170 PolarHBondContact O-N 3.31Å; C168-R170 PolarHBondContact O-N 3.04Å; R170-T173 WeakPolarHBondContact CA-OG1 3.48Å; R170-T173 PolarHBondContact O-OG1 3.18Å; R170-H174 VanDerWaalsContact O-CB 3.28Å; R170-H174 WeakPolarHBondContact O-CB 3.44Å; R170-H174 PolarHBondContact O-N 3.42Å
171V46.8Very low43.6Very low18 Ų1865.9 Ų65.911%0.10933%0.329CS..Hα-helixtrans-58.2-50.3173.5172.60000109.8L167 C168 H174 L175 L311 R325L167-V171 WeakPolarHBondContact O-CG2 3.35Å; L167-V171 PolarHBondContact O-N 2.93Å; C168-V171 PolarHBondContact O-N 2.94Å; C168-V171 VanDerWaalsContact O-N 3.14Å; V171-H174 PolarHBondContact O-N 2.89Å; V171-L175 HydrophobicContact CG1-CD1 3.96Å; V171-L175 HydrophobicContact CG1-CG 4.38Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.07Å; V171-L175 PolarHBondContact O-N 3.42Å; V171-L311 HydrophobicContact CG1-CD2 4.47Å; V171-R325 HydrophobicContact CG2-CG 4.33Å
172F49.4Very low43.4Very low4 Ų459.6 Ų59.62%0.01831%0.308CS..Hα-helixtrans-72.1-42.4-175.2-79.8-84.1000113.1F154 C168 H174 L175 E176 K267 R268 F274F154-F172 HydrophobicContact CE1-CB 3.91Å; F154-F172 AromaticContact CE1-CD1 3.83Å; F154-F172 HydrophobicContact CE1-CD1 3.83Å; F154-F172 HydrophobicContact CE1-CG 4.11Å; F154-F172 HydrophobicContact CZ-CB 3.99Å; F154-F172 HydrophobicContact CZ-CD1 4.37Å; C168-F172 VanDerWaalsContact O-CD2 3.24Å; C168-F172 WeakPolarHBondContact O-CD2 3.14Å; C168-F172 PolarHBondContact O-N 3.01Å; F172-H174 VanDerWaalsContact C-N 3.25Å; F172-H174 PolarHBondContact O-N 3.38Å; F172-L175 HydrophobicContact CD1-CD1 4.44Å; F172-L175 HydrophobicContact CE1-CD1 4.46Å; F172-L175 PolarHBondContact O-N 2.94Å; F172-E176 WeakPolarHBondContact O-CG 3.34Å; F172-E176 PolarHBondContact O-N 2.94Å; F172-K267 HydrophobicContact CD1-CB 4.43Å; F172-K267 HydrophobicContact CD2-CB 3.66Å; F172-K267 HydrophobicContact CD2-CD 4.4Å; F172-K267 HydrophobicContact CD2-CG 3.98Å; F172-K267 HydrophobicContact CE1-CB 3.88Å; F172-K267 HydrophobicContact CE2-CB 3.06Å; F172-K267 HydrophobicContact CE2-CG 3.76Å; F172-K267 HydrophobicContact CG-CB 4.35Å; F172-K267 HydrophobicContact CZ-CB 3.19Å; F172-K267 HydrophobicContact CZ-CG 4.34Å; F172-K267 WeakPolarHBondContact CZ-O 3.38Å; F172-R268 WeakPolarHBondContact CE1-O 3.26Å; F172-F274 HydrophobicContact CE2-CB 4.16Å; F172-F274 HydrophobicContact CZ-CB 3.87Å
173T50.8Low42.9Very low57 Ų5765.7 Ų65.735%0.3533%0.326SS..Hα-helixtrans-62.8-31.8173.751.30000112.5L169 R170 S177L169-T173 HydrophobicContact CG-CG2 4.41Å; L169-T173 VanDerWaalsContact O-CB 3.3Å; L169-T173 WeakPolarHBondContact O-CB 3.43Å; L169-T173 WeakPolarHBondContact O-CG2 3.31Å; L169-T173 PolarHBondContact O-N 3.09Å; L169-T173 PolarHBondContact O-OG1 3.49Å; R170-T173 WeakPolarHBondContact CA-OG1 3.48Å; R170-T173 PolarHBondContact O-OG1 3.18Å; T173-S177 PolarHBondContact O-N 3.03Å
174H51.3Low42.3Very low70 Ų7060.1 Ų60.132%0.32431%0.308SS..Hα-helixtrans-82-32.9175-74.6-13.6000113.7R170 V171 F172 E176 S177 L178 A362R170-H174 VanDerWaalsContact O-CB 3.28Å; R170-H174 WeakPolarHBondContact O-CB 3.44Å; R170-H174 PolarHBondContact O-N 3.42Å; V171-H174 PolarHBondContact O-N 2.89Å; F172-H174 VanDerWaalsContact C-N 3.25Å; F172-H174 PolarHBondContact O-N 3.38Å; H174-E176 VanDerWaalsContact C-N 3.3Å; H174-S177 PolarHBondContact O-N 2.82Å; H174-L178 WeakPolarHBondContact O-CB 3.49Å; H174-L178 VanDerWaalsContact O-CG 3.24Å; H174-L178 WeakPolarHBondContact O-CG 3.27Å; H174-L178 PolarHBondContact O-N 3.24Å; H174-A362 PolarHBondContact CD2-O 3.21Å; H174-A362 VanDerWaalsContact CD2-O 3.31Å
175L47.4Very low41.6Very low3 Ų361.8 Ų61.82%0.01632%0.315CS..Hα-helixtrans-56.8-49.7166.1-72.9173000108.9V171 F172 S177 L178 F179 Y269 L311 L312 V314V171-L175 HydrophobicContact CG1-CD1 3.96Å; V171-L175 HydrophobicContact CG1-CG 4.38Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.07Å; V171-L175 PolarHBondContact O-N 3.42Å; F172-L175 HydrophobicContact CD1-CD1 4.44Å; F172-L175 HydrophobicContact CE1-CD1 4.46Å; F172-L175 PolarHBondContact O-N 2.94Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 3.37Å; L175-L178 PolarHBondContact O-N 3.19Å; L175-L178 VanDerWaalsContact O-N 3.15Å; L175-F179 HydrophobicContact CB-CD2 4.47Å; L175-F179 HydrophobicContact CD2-CE2 4.34Å; L175-F179 WeakPolarHBondContact O-CD2 3.43Å; L175-F179 PolarHBondContact O-N 3.31Å; L175-Y269 HydrophobicContact CB-CD2 4.49Å; L175-L311 HydrophobicContact CD1-CD2 4.29Å; L175-L312 HydrophobicContact CD1-CD1 4.15Å; L175-L312 HydrophobicContact CD2-CB 4.46Å; L175-L312 HydrophobicContact CD2-CD1 3.9Å; L175-V314 HydrophobicContact CD2-CG2 4.17Å
176E45.2Very low41.1Very low73 Ų7366.6 Ų66.634%0.34133%0.332SS..Hα-helixtrans-54.8-45.6173.1-74.9-167.3133.500113.1F154 F172 H174 L178 F179 N180F154-E176 HydrophobicContact CE2-CG 4.19Å; F154-E176 VanDerWaalsContact CE2-OE1 3.22Å; F154-E176 WeakPolarHBondContact CE2-OE1 3.14Å; F154-E176 HydrophobicContact CZ-CG 4.11Å; F172-E176 WeakPolarHBondContact O-CG 3.34Å; F172-E176 PolarHBondContact O-N 2.94Å; H174-E176 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.24Å; E176-F179 PolarHBondContact O-N 3.37Å; E176-N180 VanDerWaalsContact O-CB 3.27Å; E176-N180 WeakPolarHBondContact O-CB 3.3Å; E176-N180 PolarHBondContact O-N 3.13Å; E176-N180 PolarHBondContact O-ND2 3.33Å
177S39.4Very low40.4Very low65 Ų6568 Ų6846%0.45534%0.34SS..Hα-helixtrans-63.1-41.6177.3-174.70000112.8T173 H174 L175 H181T173-S177 PolarHBondContact O-N 3.03Å; H174-S177 PolarHBondContact O-N 2.82Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 3.37Å; S177-H181 WeakPolarHBondContact O-CB 3.4Å; S177-H181 PolarHBondContact O-N 2.81Å
178L38Very low39.5Very low25 Ų2572.6 Ų72.613%0.13137%0.365CS..Hα-helixtrans-65.9-43.3178.4-74.7164.1000110.4H174 L175 E176 H181 Q182 R359 A362 I363H174-L178 WeakPolarHBondContact O-CB 3.49Å; H174-L178 VanDerWaalsContact O-CG 3.24Å; H174-L178 WeakPolarHBondContact O-CG 3.27Å; H174-L178 PolarHBondContact O-N 3.24Å; L175-L178 PolarHBondContact O-N 3.19Å; L175-L178 VanDerWaalsContact O-N 3.15Å; E176-L178 PolarHBondContact O-N 3.24Å; L178-H181 WeakPolarHBondContact O-CB 3.44Å; L178-H181 PolarHBondContact O-N 2.77Å; L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 2.78Å; L178-R359 HydrophobicContact CD2-CB 4.5Å; L178-R359 HydrophobicContact CD2-CG 4.48Å; L178-A362 HydrophobicContact CD2-CB 4.33Å; L178-I363 HydrophobicContact CD1-CD1 3.71Å; L178-I363 HydrophobicContact CD1-CG1 3.58Å
179F39Very low38.7Very low66 Ų6677.4 Ų77.429%0.28939%0.394SS..Hα-helixtrans-71.7-36.9178.1-80.5-79.2000112.7L175 E176 H181 Q182 R183 Y269 L312L175-F179 HydrophobicContact CB-CD2 4.47Å; L175-F179 HydrophobicContact CD2-CE2 4.34Å; L175-F179 WeakPolarHBondContact O-CD2 3.43Å; L175-F179 PolarHBondContact O-N 3.31Å; E176-F179 PolarHBondContact O-N 3.37Å; F179-H181 VanDerWaalsContact C-N 3.26Å; F179-H181 PolarHBondContact O-N 2.73Å; F179-Q182 CarbonylContact O-C 3.59Å; F179-Q182 PolarHBondContact O-N 3.44Å; F179-Q182 VanDerWaalsContact O-N 3.14Å; F179-R183 WeakPolarHBondContact O-CB 3.38Å; F179-R183 PolarHBondContact O-N 3.36Å; F179-Y269 WeakPolarHBondContact CB-OH 3.35Å; F179-Y269 HydrophobicContact CD1-CE1 4.46Å; F179-Y269 WeakPolarHBondContact CD1-OH 3.44Å; F179-Y269 AromaticContact CD2-CE1 3.77Å; F179-Y269 HydrophobicContact CD2-CE1 3.77Å; F179-Y269 AromaticContact CD2-CE2 3.79Å; F179-Y269 HydrophobicContact CD2-CE2 3.79Å; F179-Y269 AromaticContact CD2-CZ 3.24Å; F179-Y269 WeakPolarHBondContact CD2-OH 3.18Å; F179-Y269 HydrophobicContact CE1-CE1 4.11Å; F179-Y269 HydrophobicContact CE2-CD1 4.17Å; F179-Y269 AromaticContact CE2-CE1 3.39Å; F179-Y269 HydrophobicContact CE2-CE1 3.39Å; F179-Y269 HydrophobicContact CE2-CE2 4.18Å; F179-Y269 AromaticContact CE2-CZ 3.42Å; F179-Y269 VanDerWaalsContact CE2-CZ 3.42Å; F179-Y269 HydrophobicContact CG-CE1 4.31Å; F179-Y269 HydrophobicContact CG-CE2 4.37Å; F179-Y269 AromaticContact CG-CZ 3.63Å; F179-Y269 WeakPolarHBondContact CG-OH 3.49Å; F179-Y269 HydrophobicContact CZ-CD1 4.49Å; F179-Y269 AromaticContact CZ-CE1 3.57Å; F179-Y269 HydrophobicContact CZ-CE1 3.57Å; F179-Y269 AromaticContact CZ-CZ 3.91Å; F179-L312 HydrophobicContact CE2-CD1 3.84Å; F179-L312 HydrophobicContact CZ-CD1 4.09Å; F179-L312 HydrophobicContact CZ-CD2 4.35Å
180N37.5Very low37.7Very low89 Ų8976.9 Ų76.948%0.47640%0.399SS..Hα-helixtrans-61-37.5171-76.2-29.9000111.3E176 R183 S184E176-N180 VanDerWaalsContact O-CB 3.27Å; E176-N180 WeakPolarHBondContact O-CB 3.3Å; E176-N180 PolarHBondContact O-N 3.13Å; E176-N180 PolarHBondContact O-ND2 3.33Å; N180-R183 PolarHBondContact O-N 3.46Å; N180-S184 WeakPolarHBondContact O-CB 3.19Å; N180-S184 PolarHBondContact O-N 3.41Å
181H30.5Very low36.4Very low64 Ų6477.5 Ų77.530%0.29641%0.413SS..Hα-helixtrans-65.3-41.2172.1-167.653.6000112.5S177 L178 F179 K185 D358S177-H181 WeakPolarHBondContact O-CB 3.4Å; S177-H181 PolarHBondContact O-N 2.81Å; L178-H181 WeakPolarHBondContact O-CB 3.44Å; L178-H181 PolarHBondContact O-N 2.77Å; F179-H181 VanDerWaalsContact C-N 3.26Å; F179-H181 PolarHBondContact O-N 2.73Å; H181-K185 VanDerWaalsContact CE1-CE 3.49Å; H181-K185 WeakPolarHBondContact CE1-CE 3.25Å; H181-K185 WeakPolarHBondContact NE2-CE 3.32Å; H181-K185 PolarHBondContact NE2-NZ 3.46Å; H181-K185 WeakPolarHBondContact O-CG 3.05Å; H181-K185 PolarHBondContact O-N 3.04Å; H181-D358 IonicContact NE2-OD2 2.82Å
182Q30.4Very low35.2Very low85 Ų8579.9 Ų79.940%0.39744%0.442SS..Hα-helixtrans-66.1-41.5174.5-65.1-61.9-23.200111.8L178 F179 S184 K185 H186L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 2.78Å; F179-Q182 CarbonylContact O-C 3.59Å; F179-Q182 PolarHBondContact O-N 3.44Å; F179-Q182 VanDerWaalsContact O-N 3.14Å; Q182-S184 PolarHBondContact O-N 3.02Å; Q182-K185 PolarHBondContact O-N 3.29Å; Q182-H186 PolarHBondContact O-CD2 3.07Å; Q182-H186 VanDerWaalsContact O-CD2 3.29Å; Q182-H186 PolarHBondContact O-N 2.78Å
183R31.1Very low34Very low172 Ų17286 Ų8665%0.64948%0.479SS*.Hα-helixtrans-64.7-39.6178.2-147.8176.1-159.9177.93.7111.3F179 N180 H186 A187F179-R183 WeakPolarHBondContact O-CB 3.38Å; F179-R183 PolarHBondContact O-N 3.36Å; N180-R183 PolarHBondContact O-N 3.46Å; R183-H186 PolarHBondContact O-N 3.4Å; R183-A187 PolarHBondContact O-N 3.3Å; R183-A187 VanDerWaalsContact O-N 3.1Å
184S28.4Very low32.7Very low69 Ų6993.5 Ų93.548%0.48350%0.501SS..Hα-helixtrans-62.9-42.6172.1172.30000112N180 Q182 A187N180-S184 WeakPolarHBondContact O-CB 3.19Å; N180-S184 PolarHBondContact O-N 3.41Å; Q182-S184 PolarHBondContact O-N 3.02Å; S184-A187 PolarHBondContact O-N 2.94Å
185K31.9Very low31.4Very low65 Ų6598.2 Ų98.228%0.28353%0.527SS..Hα-helixtrans-70-31.1178.7-73.3179.3179.8-176.20114.2H181 Q182 T189 G351H181-K185 VanDerWaalsContact CE1-CE 3.49Å; H181-K185 WeakPolarHBondContact CE1-CE 3.25Å; H181-K185 WeakPolarHBondContact NE2-CE 3.32Å; H181-K185 PolarHBondContact NE2-NZ 3.46Å; H181-K185 WeakPolarHBondContact O-CG 3.05Å; H181-K185 PolarHBondContact O-N 3.04Å; Q182-K185 PolarHBondContact O-N 3.29Å; K185-T189 PolarHBondContact O-OG1 2.96Å; K185-G351 PolarHBondContact NZ-O 3.28Å
186H30.2Very low30.2Very low129 Ų129107.7 Ų107.760%0.59756%0.563SS**Hα-helixtrans-78.6-24.3174.9-82.9-74.1000113.4Q182 R183 D188Q182-H186 PolarHBondContact O-CD2 3.07Å; Q182-H186 VanDerWaalsContact O-CD2 3.29Å; Q182-H186 PolarHBondContact O-N 2.78Å; R183-H186 PolarHBondContact O-N 3.4Å; H186-D188 VanDerWaalsContact C-N 3.31Å; H186-D188 PolarHBondContact O-N 2.97Å
187A27.9Very low29.2Very low66 Ų66114 Ų11455%0.54559%0.589SS.*Hα-helixtrans-65.8-33.7172.700000112.4R183 S184R183-A187 PolarHBondContact O-N 3.3Å; R183-A187 VanDerWaalsContact O-N 3.1Å; S184-A187 PolarHBondContact O-N 2.94Å
188D31Very low28.6Very low143 Ų143117 Ų11777%0.76561%0.605SS**THydrogen-bonded Turntrans-83.3-7.1-176.5-78.7-18.6000115H186H186-D188 VanDerWaalsContact C-N 3.31Å; H186-D188 PolarHBondContact O-N 2.97Å
189T29.7Very low28Very low103 Ų103119.4 Ų119.463%0.63263%0.628SS**THydrogen-bonded Turntrans-118.91.3-177.438.40000115K185K185-T189 PolarHBondContact O-OG1 2.96Å
190S24.5Very low27.4Very low87 Ų87123.5 Ų123.561%0.60865%0.653SS**SBendtrans-90.4105.5165.573.60000109.9G192S190-G192 PolarHBondContact O-N 3Å
191L23.8Very low26.9Very low175 Ų175128.6 Ų128.692%0.91668%0.676SS**  trans-41.9125.6165.9-105.2138000110.3V193L191-V193 PolarHBondContact O-N 2.77Å; L191-V193 VanDerWaalsContact O-N 3.14Å
192G23Very low26.8Very low68 Ų68129.1 Ų129.170%0.70170%0.699SS**  trans-50.6112.3-172.200000114.5S190 R194S190-G192 PolarHBondContact O-N 3Å; G192-R194 VanDerWaalsContact C-N 3.31Å; G192-R194 PolarHBondContact O-N 3.42Å
193V23.6Very low26.6Very low132 Ų132134.6 Ų134.680%0.872%0.724SS**  trans-86.588.2142.3-179.70000106.3L191 L195L191-V193 PolarHBondContact O-N 2.77Å; L191-V193 VanDerWaalsContact O-N 3.14Å; V193-L195 VanDerWaalsContact C-N 3.35Å; V193-L195 PolarHBondContact O-N 3.43Å
194R23.2Very low26.3Very low215 Ų215131 Ų13181%0.81173%0.732SS**  trans-51.196.5161.8-87.2169.7152.6162.7-6.7108.6G192 R196G192-R194 VanDerWaalsContact C-N 3.31Å; G192-R194 PolarHBondContact O-N 3.42Å; R194-R196 PolarHBondContact O-N 3.21Å
195L23Very low26.2Very low169 Ų169136.6 Ų136.689%0.88575%0.751SS**  trans-72.886.7155-77.6171.2000107.1V193 K197V193-L195 VanDerWaalsContact C-N 3.35Å; V193-L195 PolarHBondContact O-N 3.43Å; L195-K197 PolarHBondContact O-N 2.69Å; L195-K197 VanDerWaalsContact O-N 3.17Å
196R22.9Very low26Very low201 Ų201139.4 Ų139.476%0.75877%0.773SS**  trans-54.1119.8157.6-85.3-174.5-169-160.21106.4R194 V198R194-R196 PolarHBondContact O-N 3.21Å; R196-V198 PolarHBondContact O-N 3.03Å
197K25.1Very low25.8Very low205 Ų205139.3 Ų139.389%0.89178%0.777SS**  trans-56.989.4160.7-156.8173.5-170.9177.50106.6L195 A199L195-K197 PolarHBondContact O-N 2.69Å; L195-K197 VanDerWaalsContact O-N 3.17Å; K197-A199 PolarHBondContact O-N 3.03Å
198V26Very low25.8Very low130 Ų130147.1 Ų147.179%0.78879%0.794SS**  trans-72.487.1165.4-179.90000104.7R196 N200R196-V198 PolarHBondContact O-N 3.03Å; V198-N200 PolarHBondContact O-N 3.21Å
199A25.4Very low25.7Very low75 Ų75144.7 Ų144.762%0.6279%0.788SS**  trans-59.5110.1161.200000106.8K197K197-A199 PolarHBondContact O-N 3.03Å
200N25.9Very low25.5Very low152 Ų152151 Ų15181%0.81380%0.8SS**  trans153.269151.5-77.6-17.9000111.8V198V198-N200 PolarHBondContact O-N 3.21Å
201M28.1Very low25.7Very low196 Ų196156 Ų15697%0.96681%0.811SS**  trans-152.4102.6148.3-73.6-166.8158.200103.3
202G28.4Very low25.7Very low75 Ų75154.8 Ų154.877%0.77381%0.805SS**  98.876.566.700000108.2
203Q25.5Very low26Very low199 Ų199161 Ų16193%0.9382%0.818SS**  trans37.198.2158.2-70.3171.5-46.800119
204A25.7Very low26.3Very low98 Ų98161.3 Ų161.381%0.8182%0.815SS**  trans-143.698137.600000107.1V206A204-V206 PolarHBondContact O-N 3.26Å
205E25.4Very low26.4Very low186 Ų186162.9 Ų162.987%0.86982%0.823SS**  trans-76.1110.9175.7-169.3170.8-15600107.4
206V28.7Very low26.5Very low123 Ų123158 Ų15875%0.74581%0.813SS**  trans-110.599.6163.4-177.80000106.7A204 Y208A204-V206 PolarHBondContact O-N 3.26Å; V206-Y208 PolarHBondContact O-N 2.87Å
207D24.7Very low26.6Very low128 Ų128159.7 Ų159.768%0.68482%0.819SS**  trans-71.5103.2-179.2-162.16.4000109.7S209D207-S209 PolarHBondContact O-N 2.93Å
208Y27.4Very low26.7Very low230 Ų230154.8 Ų154.890%0.90281%0.808SS**  trans-88.262.8170-112-90.2000109V206V206-Y208 PolarHBondContact O-N 2.87Å
209S29.4Very low26.6Very low92 Ų92157 Ų15764%0.64381%0.81SS**  trans-100.2125.9175.2-1580000110.9D207 K211D207-S209 PolarHBondContact O-N 2.93Å; S209-K211 PolarHBondContact O-N 3.14Å
210R26.7Very low26.7Very low235 Ų235160.2 Ų160.289%0.88781%0.806SS**  trans-42.8121176.2-67.9173.5-174.6171.50.8112
211K26.9Very low26.7Very low193 Ų193158.4 Ų158.484%0.83980%0.801SS**  trans172.7134.5135-94.6155.4-175.9-177.20108.6S209S209-K211 PolarHBondContact O-N 3.14Å
212N25.5Very low26.7Very low149 Ų149157.2 Ų157.280%0.79779%0.793SS**  trans76.393.6169-54.6-10.1000116.9
213M28.9Very low27Very low197 Ų197157.8 Ų157.897%0.9778%0.781SS**  -157.5103.8124.5-114.4173.2169.400109.7
214L29.5Very low27.3Very low140 Ų140153 Ų15373%0.73377%0.767SS**  trans-56.5149.3167.9-75.6128.2000110.4G216L214-G216 PolarHBondContact O-N 2.79Å; L214-G216 VanDerWaalsContact O-N 3.14Å
215Y24.7Very low28Very low248 Ų248151.5 Ų151.597%0.97374%0.744SS**SBendtrans-24.7108169.3-78.8-97000114.2
216G25.5Very low28.5Very low66 Ų66147.2 Ų147.268%0.6873%0.727SS**  trans-151.9137171.400000108.6L214L214-G216 PolarHBondContact O-N 2.79Å; L214-G216 VanDerWaalsContact O-N 3.14Å
217R24Very low29.1Very low236 Ų236145.9 Ų145.989%0.89172%0.72SS**  trans-42.1143.3178.4-74-178.1-172.4-159.80.4111.6Q219R217-Q219 PolarHBondContact O-N 2.89Å
218P29Very low29.9Very low102 Ų102145.9 Ų145.966%0.66272%0.721SS**  trans-60.1109.3167.925.4-29.9000108.1W220P218-W220 PolarHBondContact O-N 2.87Å
219Q23.9Very low30.8Very low176 Ų176139.5 Ų139.582%0.82270%0.699SS**  trans-73.1110.5168.8-165.9173.17.800106R217 V221R217-Q219 PolarHBondContact O-N 2.89Å; Q219-V221 PolarHBondContact O-N 3.31Å
220W26.3Very low31.8Very low144 Ų144136.6 Ų136.655%0.54568%0.684SS.*  trans-59.6103.8176.6-66.893.7000109.2P218 Q222 H248 E251P218-W220 PolarHBondContact O-N 2.87Å; W220-Q222 PolarHBondContact O-N 3.03Å; W220-Q222 VanDerWaalsContact O-N 3.14Å; W220-H248 AromaticContact CE2-CE1 3.91Å; W220-H248 AromaticContact CE2-ND1 3.75Å; W220-H248 AromaticContact CE3-ND1 3.83Å; W220-H248 HydrophobicContact CH2-CB 3.97Å; W220-H248 AromaticContact CH2-CG 3.83Å; W220-H248 AromaticContact CH2-ND1 3.09Å; W220-H248 WeakPolarHBondContact CH2-ND1 3.44Å; W220-H248 AromaticContact CZ2-CE1 3.89Å; W220-H248 AromaticContact CZ2-ND1 3.29Å; W220-H248 VanDerWaalsContact CZ2-ND1 3.29Å; W220-H248 WeakPolarHBondContact CZ2-ND1 3.28Å; W220-H248 HydrophobicContact CZ3-CB 4Å; W220-H248 AromaticContact CZ3-CG 3.85Å; W220-H248 AromaticContact CZ3-ND1 3.37Å; W220-H248 WeakPolarHBondContact CZ3-ND1 3.21Å; W220-E251 WeakPolarHBondContact CH2-OE2 3.35Å; W220-E251 WeakPolarHBondContact CZ2-OE2 3.24Å
221V26.5Very low33.1Very low114 Ų114126.7 Ų126.769%0.69165%0.652SS**  trans-66.4111.8159.3177.90000105Q219 V223Q219-V221 PolarHBondContact O-N 3.31Å; V221-V223 PolarHBondContact O-N 3.07Å
222Q27.5Very low34.4Very low170 Ų170121 Ų12179%0.79464%0.635SS**  trans-63.888.9176-168.8176-6.400107.5W220 P224W220-Q222 PolarHBondContact O-N 3.03Å; W220-Q222 VanDerWaalsContact O-N 3.14Å; Q222-P224 WeakPolarHBondContact O-CD 3.34Å; Q222-P224 VanDerWaalsContact O-N 3.12Å
223V36Very low36Very low87 Ų87121 Ų12153%0.52763%0.634SS.*  trans-65.6111.8169.9-1730000104.9V221 M225 L241V221-V223 PolarHBondContact O-N 3.07Å; V223-M225 VanDerWaalsContact C-N 3.25Å; V223-M225 PolarHBondContact O-N 2.95Å; V223-L241 HydrophobicContact CG1-CD2 4.03Å
224P31.9Very low37.5Very low99 Ų99115.4 Ų115.464%0.64363%0.627SS**  trans-72.690.9-177.628.9-29000107.3Q222 L226Q222-P224 WeakPolarHBondContact O-CD 3.34Å; Q222-P224 VanDerWaalsContact O-N 3.12Å; P224-L226 PolarHBondContact O-N 2.87Å
225M40.3Very low39.6Very low66 Ų66110.6 Ų110.633%0.32561%0.605SS.*  trans-59.1104.5143.2-72.2-71.2-164.500104.3V223 A231 L241V223-M225 VanDerWaalsContact C-N 3.25Å; V223-M225 PolarHBondContact O-N 2.95Å; M225-A231 HydrophobicContact CE-CB 4.45Å; M225-L241 HydrophobicContact CE-CB 3.54Å; M225-L241 HydrophobicContact CE-CD1 4.31Å; M225-L241 HydrophobicContact CE-CG 4.36Å
226L35.6Very low42Very low97 Ų97104.6 Ų104.651%0.50860%0.596SS.*  trans-45.7131.4-179.7-80.4166.4000107.5P224 N228 E229P224-L226 PolarHBondContact O-N 2.87Å; L226-N228 PolarHBondContact O-N 2.93Å; L226-E229 HydrophobicContact CB-CB 4.07Å; L226-E229 HydrophobicContact CB-CG 4.28Å; L226-E229 VanDerWaalsContact CD1-OE2 3.23Å; L226-E229 WeakPolarHBondContact CD1-OE2 3.34Å; L226-E229 PolarHBondContact O-N 2.98Å
227P40.9Very low44.4Very low94 Ų94107 Ų10761%0.6159%0.593SS**THydrogen-bonded Turntrans-52.6-9.9-166.7-31.234.9000116.6
228N40.6Very low46.7Very low129 Ų12996.6 Ų96.669%0.6956%0.556SS**THydrogen-bonded Turntrans-126.5-11.7177.6-55.3-44.1000115.1L17 L226L17-N228 VanDerWaalsContact CD1-C 3.41Å; L17-N228 HydrophobicContact CD1-CB 3.45Å; L17-N228 VanDerWaalsContact CD1-CB 3.45Å; L17-N228 WeakPolarHBondContact CD1-O 3.32Å; L17-N228 HydrophobicContact CG-CB 4.27Å; L17-N228 WeakPolarHBondContact CG-O 3.32Å; L226-N228 PolarHBondContact O-N 2.93Å
229E46.8Very low48.9Very low95 Ų9596 Ų9644%0.44455%0.552SS.*  trans-105.9112.3-169.9-61.9177.9-172.100111.4L17 L226L17-E229 HydrophobicContact CD1-CG 3.7Å; L226-E229 HydrophobicContact CB-CB 4.07Å; L226-E229 HydrophobicContact CB-CG 4.28Å; L226-E229 VanDerWaalsContact CD1-OE2 3.23Å; L226-E229 WeakPolarHBondContact CD1-OE2 3.34Å; L226-E229 PolarHBondContact O-N 2.98Å
230G50.5Low51.4Low32 Ų3290 Ų9033%0.3353%0.533SS..PPolyproline II helixtrans-64155.5168.400000111.5
231A54.7Low53.8Low26 Ų2685.6 Ų85.622%0.21552%0.52CS..PPolyproline II helixtrans-63.2130.7177.400000110.5M225 L233 S238M225-A231 HydrophobicContact CE-CB 4.45Å; A231-L233 PolarHBondContact O-N 3.46Å; A231-S238 VanDerWaalsContact CB-OG 3.29Å; A231-S238 WeakPolarHBondContact CB-OG 3.24Å
232P53.4Low56Low73 Ų7382 Ų8247%0.47450%0.502SS..PPolyproline II helixtrans-64.4121.7-17922.1-30.4000110.7F18 G234 S235 S238F18-P232 HydrophobicContact CZ-CB 4.22Å; P232-G234 PolarHBondContact O-N 3.38Å; P232-G234 VanDerWaalsContact O-N 3.08Å; P232-S235 PolarHBondContact O-N 2.9Å; P232-S235 VanDerWaalsContact O-N 3.09Å; P232-S238 WeakPolarHBondContact O-CB 3.29Å; P232-S238 PolarHBondContact O-OG 2.83Å
233L59.1Low58.5Low151 Ų15178.1 Ų78.179%0.79148%0.484SS*.THydrogen-bonded Turntrans-53112.4165.6-79.4144.3000108.8F18 A231F18-L233 HydrophobicContact CE2-CD1 4.33Å; F18-L233 HydrophobicContact CZ-CB 4.17Å; F18-L233 HydrophobicContact CZ-CD1 4.4Å; A231-L233 PolarHBondContact O-N 3.46Å
234G61.2Low60.7Low79 Ų7978.6 Ų78.681%0.81448%0.483SS*.THydrogen-bonded Turntrans112.9-10.1-178.900000115.3P232P232-G234 PolarHBondContact O-N 3.38Å; P232-G234 VanDerWaalsContact O-N 3.08Å
235S72.7Confident63.1Low39 Ų3976 Ų7627%0.27346%0.463SS..  trans-71.6134.9165.6171.40000110P232 L237 S238 P239P232-S235 PolarHBondContact O-N 2.9Å; P232-S235 VanDerWaalsContact O-N 3.09Å; S235-L237 PolarHBondContact O-N 3.39Å; S235-L237 VanDerWaalsContact O-N 3.14Å; S235-L237 PolarHBondContact OG-N 3.19Å; S235-S238 WeakPolarHBondContact O-CB 3.47Å; S235-S238 PolarHBondContact O-N 2.8Å; S235-P239 WeakPolarHBondContact O-CD 3.48Å
236P75.2Confident65Low121 Ų12173.3 Ų73.379%0.78645%0.45SS*.THydrogen-bonded Turntrans-62-20.5175.826.5-34.6000112.8
237L77.4Confident67.3Low118 Ų11872.7 Ų72.762%0.61845%0.445SS*.THydrogen-bonded Turntrans-86.3-18.2176.1-65.4176.3000113.5S235 A240 L241S235-L237 PolarHBondContact O-N 3.39Å; S235-L237 VanDerWaalsContact O-N 3.14Å; S235-L237 PolarHBondContact OG-N 3.19Å; L237-A240 PolarHBondContact O-N 2.99Å; L237-L241 HydrophobicContact CB-CD1 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 WeakPolarHBondContact O-CG 3.48Å; L237-L241 PolarHBondContact O-N 2.73Å
238S72.2Confident69.4Low17 Ų1770.6 Ų70.612%0.11943%0.427CS..Hα-helixtrans-60.5-45.6-174.71770000113.1A231 P232 S235 A240 L241 A242A231-S238 VanDerWaalsContact CB-OG 3.29Å; A231-S238 WeakPolarHBondContact CB-OG 3.24Å; P232-S238 WeakPolarHBondContact O-CB 3.29Å; P232-S238 PolarHBondContact O-OG 2.83Å; S235-S238 WeakPolarHBondContact O-CB 3.47Å; S235-S238 PolarHBondContact O-N 2.8Å; S238-A240 PolarHBondContact O-N 2.77Å; S238-L241 PolarHBondContact O-N 2.92Å; S238-A242 WeakPolarHBondContact O-CB 3.08Å; S238-A242 PolarHBondContact O-N 3.49Å
239P73.7Confident71.5Confident88 Ų8864.4 Ų64.457%0.57139%0.394SS*.Hα-helixtrans-60.8-42.9176.6-24.534.9000113.4S235 A242 E243S235-P239 WeakPolarHBondContact O-CD 3.48Å; P239-A242 PolarHBondContact O-N 3.25Å; P239-E243 WeakPolarHBondContact O-CB 3.49Å; P239-E243 PolarHBondContact O-N 3.09Å
240A76.2Confident73.3Confident52 Ų5261 Ų6143%0.4338%0.377SS..Hα-helixtrans-65.4-41.3179.600000111.7L237 S238 E243 L244L237-A240 PolarHBondContact O-N 2.99Å; S238-A240 PolarHBondContact O-N 2.77Å; A240-E243 PolarHBondContact O-N 2.75Å; A240-L244 WeakPolarHBondContact O-CG 3.48Å; A240-L244 PolarHBondContact O-N 2.79Å
241L76.7Confident74.9Confident50 Ų5062.3 Ų62.326%0.26238%0.375SS..Hα-helixtrans-68.1-37.3176.6-73.5177000112.7V223 M225 L237 S238 E243 L245V223-L241 HydrophobicContact CG1-CD2 4.03Å; M225-L241 HydrophobicContact CE-CB 3.54Å; M225-L241 HydrophobicContact CE-CD1 4.31Å; M225-L241 HydrophobicContact CE-CG 4.36Å; L237-L241 HydrophobicContact CB-CD1 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 WeakPolarHBondContact O-CG 3.48Å; L237-L241 PolarHBondContact O-N 2.73Å; S238-L241 PolarHBondContact O-N 2.92Å; L241-E243 VanDerWaalsContact C-N 3.33Å; L241-L245 WeakPolarHBondContact O-CB 3.46Å; L241-L245 PolarHBondContact O-N 2.93Å
242A74.2Confident76.3Confident38 Ų3864.2 Ų64.231%0.31438%0.381SS..Hα-helixtrans-64.2-41.2173.100000111S238 P239 L245 M246S238-A242 WeakPolarHBondContact O-CB 3.08Å; S238-A242 PolarHBondContact O-N 3.49Å; P239-A242 PolarHBondContact O-N 3.25Å; A242-L245 PolarHBondContact O-N 3.35Å; A242-M246 WeakPolarHBondContact O-CB 3.41Å; A242-M246 VanDerWaalsContact O-CG 3.22Å; A242-M246 WeakPolarHBondContact O-CG 3.22Å; A242-M246 PolarHBondContact O-N 2.94Å
243E79.8Confident77.8Confident89 Ų8960.8 Ų60.842%0.41636%0.359SS..Hα-helixtrans-63.3-43.5178.1-170.8167.7-163.900112.6P239 A240 L241 M246 E247P239-E243 WeakPolarHBondContact O-CB 3.49Å; P239-E243 PolarHBondContact O-N 3.09Å; A240-E243 PolarHBondContact O-N 2.75Å; L241-E243 VanDerWaalsContact C-N 3.33Å; E243-M246 PolarHBondContact O-N 3Å; E243-E247 PolarHBondContact O-N 3.02Å
244L82.4Confident79Confident97 Ų9754.7 Ų54.751%0.50833%0.326SS..Hα-helixtrans-62.8-42.9174.4-72.5170.7000112.6A240 M246 E247 H248A240-L244 WeakPolarHBondContact O-CG 3.48Å; A240-L244 PolarHBondContact O-N 2.79Å; L244-M246 VanDerWaalsContact C-N 3.27Å; L244-M246 PolarHBondContact O-N 3.41Å; L244-E247 PolarHBondContact O-N 3.39Å; L244-H248 WeakPolarHBondContact O-CB 3.46Å; L244-H248 PolarHBondContact O-N 3.5Å
245L81.6Confident79.5Confident45 Ų4556.9 Ų56.924%0.23632%0.315CS..Hα-helixtrans-60.5-40.7176.1177.868.1000111.2L241 A242 H248 L249 V297L241-L245 WeakPolarHBondContact O-CB 3.46Å; L241-L245 PolarHBondContact O-N 2.93Å; A242-L245 PolarHBondContact O-N 3.35Å; L245-H248 PolarHBondContact O-N 2.94Å; L245-L249 WeakPolarHBondContact O-CB 3.37Å; L245-L249 PolarHBondContact O-N 2.67Å; L245-V297 HydrophobicContact CD2-CG2 4.15Å
246M80.7Confident78.9Confident10 Ų1057.8 Ų57.85%0.04933%0.33CS..Hα-helixtrans-69.6-40.1179.9-74.1-56.6-57.800112.4F11 A242 E243 L244 L249 E250 R268 I273F11-M246 HydrophobicContact CB-CE 4.22Å; F11-M246 HydrophobicContact CB-SD 4.1Å; F11-M246 HydrophobicContact CD1-CE 3.49Å; F11-M246 VanDerWaalsContact CD1-CE 3.49Å; F11-M246 HydrophobicContact CD1-SD 3.69Å; F11-M246 HydrophobicContact CD2-CE 3.48Å; F11-M246 VanDerWaalsContact CD2-CE 3.48Å; F11-M246 HydrophobicContact CD2-SD 4.43Å; F11-M246 HydrophobicContact CE1-CE 3.59Å; F11-M246 HydrophobicContact CE1-SD 4.23Å; F11-M246 HydrophobicContact CE2-CE 3.66Å; F11-M246 HydrophobicContact CG-CE 3.42Å; F11-M246 VanDerWaalsContact CG-CE 3.42Å; F11-M246 HydrophobicContact CG-SD 3.79Å; F11-M246 HydrophobicContact CZ-CE 3.69Å; A242-M246 WeakPolarHBondContact O-CB 3.41Å; A242-M246 VanDerWaalsContact O-CG 3.22Å; A242-M246 WeakPolarHBondContact O-CG 3.22Å; A242-M246 PolarHBondContact O-N 2.94Å; E243-M246 PolarHBondContact O-N 3Å; L244-M246 VanDerWaalsContact C-N 3.27Å; L244-M246 PolarHBondContact O-N 3.41Å; M246-L249 WeakPolarHBondContact O-CB 3.5Å; M246-L249 PolarHBondContact O-N 3.21Å; M246-E250 WeakPolarHBondContact O-CG 3.22Å; M246-E250 PolarHBondContact O-N 3.35Å; M246-R268 VanDerWaalsContact CB-CZ 3.46Å; M246-R268 VanDerWaalsContact CB-NH1 3.26Å; M246-I273 HydrophobicContact CE-CD1 4.03Å
247E83.6Confident77.9Confident83 Ų8356.4 Ų56.439%0.38832%0.324SS..Hα-helixtrans-61.5-44.7173-174.9173.4-169.900111.5E243 L244 L249 E250 E251E243-E247 PolarHBondContact O-N 3.02Å; L244-E247 PolarHBondContact O-N 3.39Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.91Å; E247-E250 WeakPolarHBondContact O-CB 3.49Å; E247-E250 PolarHBondContact O-N 3.35Å; E247-E251 PolarHBondContact O-N 3.18Å
248H84Confident76.9Confident50 Ų5057.7 Ų57.723%0.23133%0.331CS..Hα-helixtrans-63.3-37.5175.8-173.957.7000112.7W220 L244 L245 E251 I252 F293W220-H248 AromaticContact CE2-CE1 3.91Å; W220-H248 AromaticContact CE2-ND1 3.75Å; W220-H248 AromaticContact CE3-ND1 3.83Å; W220-H248 HydrophobicContact CH2-CB 3.97Å; W220-H248 AromaticContact CH2-CG 3.83Å; W220-H248 AromaticContact CH2-ND1 3.09Å; W220-H248 WeakPolarHBondContact CH2-ND1 3.44Å; W220-H248 AromaticContact CZ2-CE1 3.89Å; W220-H248 AromaticContact CZ2-ND1 3.29Å; W220-H248 VanDerWaalsContact CZ2-ND1 3.29Å; W220-H248 WeakPolarHBondContact CZ2-ND1 3.28Å; W220-H248 HydrophobicContact CZ3-CB 4Å; W220-H248 AromaticContact CZ3-CG 3.85Å; W220-H248 AromaticContact CZ3-ND1 3.37Å; W220-H248 WeakPolarHBondContact CZ3-ND1 3.21Å; L244-H248 WeakPolarHBondContact O-CB 3.46Å; L244-H248 PolarHBondContact O-N 3.5Å; L245-H248 PolarHBondContact O-N 2.94Å; H248-E251 PolarHBondContact O-N 3.29Å; H248-I252 VanDerWaalsContact NE2-CD1 3.3Å; H248-I252 WeakPolarHBondContact NE2-CD1 3.45Å; H248-I252 WeakPolarHBondContact O-CG1 3.36Å; H248-I252 PolarHBondContact O-N 3.19Å; H248-F293 AromaticContact CD2-CZ 3.78Å
249L85.2Confident76.3Confident0 Ų060.2 Ų60.20%034%0.343CS..Hα-helixtrans-62.4-46.1173.6-171.6161.1000111.1F11 L245 M246 E247 E251 I252 A253 L289 I292 F293 V297F11-L249 HydrophobicContact CD1-CD1 4.13Å; F11-L249 HydrophobicContact CE1-CD1 3.71Å; F11-L249 HydrophobicContact CE1-CD2 3.92Å; F11-L249 HydrophobicContact CZ-CD2 4.35Å; L245-L249 WeakPolarHBondContact O-CB 3.37Å; L245-L249 PolarHBondContact O-N 2.67Å; M246-L249 WeakPolarHBondContact O-CB 3.5Å; M246-L249 PolarHBondContact O-N 3.21Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.91Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 2.93Å; L249-I252 PolarHBondContact O-N 2.99Å; L249-A253 HydrophobicContact CD2-CB 4.46Å; L249-A253 WeakPolarHBondContact O-CB 3.29Å; L249-A253 PolarHBondContact O-N 3.22Å; L249-L289 HydrophobicContact CD2-CD2 3.97Å; L249-I292 HydrophobicContact CD2-CD1 4.29Å; L249-I292 HydrophobicContact CG-CD1 4.47Å; L249-F293 HydrophobicContact CB-CD2 4.36Å; L249-F293 HydrophobicContact CB-CE2 3.93Å; L249-F293 HydrophobicContact CD1-CD2 3.98Å; L249-F293 HydrophobicContact CD1-CE2 4.4Å; L249-F293 HydrophobicContact CG-CD2 4.12Å; L249-F293 HydrophobicContact CG-CE2 4.13Å; L249-V297 HydrophobicContact CD1-CG1 4.06Å
250E85.1Confident75.8Confident22 Ų2264.8 Ų64.810%0.10336%0.357CS..Hα-helixtrans-62.7-38.8177.7-73.8176.8-165.400112.5M246 E247 F254 F266 R268M246-E250 WeakPolarHBondContact O-CG 3.22Å; M246-E250 PolarHBondContact O-N 3.35Å; E247-E250 WeakPolarHBondContact O-CB 3.49Å; E247-E250 PolarHBondContact O-N 3.35Å; E250-F254 VanDerWaalsContact O-CD2 3.24Å; E250-F254 WeakPolarHBondContact O-CD2 3.24Å; E250-F254 PolarHBondContact O-N 2.9Å; E250-F266 HydrophobicContact CG-CD1 4.43Å; E250-F266 HydrophobicContact CG-CE1 3.76Å; E250-R268 WeakPolarHBondContact OE1-CB 3.4Å; E250-R268 WeakPolarHBondContact OE1-CD 3.46Å; E250-R268 IonicContact OE1-CZ 3.87Å; E250-R268 IonicContact OE1-NE 2.77Å; E250-R268 PolarHBondContact OE1-NE 3.04Å
251E84.2Confident75.6Confident60 Ų6063 Ų6328%0.2834%0.341SS..Hα-helixtrans-61.4-57.1173.9-167.5169.5-176.400109.9W220 E247 H248 L249 A253 F254 E255W220-E251 WeakPolarHBondContact CH2-OE2 3.35Å; W220-E251 WeakPolarHBondContact CZ2-OE2 3.24Å; E247-E251 PolarHBondContact O-N 3.18Å; H248-E251 PolarHBondContact O-N 3.29Å; L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 2.93Å; E251-A253 VanDerWaalsContact C-N 3.28Å; E251-A253 PolarHBondContact O-N 3.2Å; E251-F254 CarbonylContact O-C 3.58Å; E251-F254 PolarHBondContact O-N 3.28Å; E251-E255 HydrophobicContact CG-CB 4.46Å; E251-E255 WeakPolarHBondContact O-CA 3.36Å; E251-E255 WeakPolarHBondContact O-CB 3.2Å; E251-E255 PolarHBondContact O-N 2.91Å
252I84.7Confident75.8Confident67 Ų6763.7 Ų63.734%0.34435%0.348SS..Hα-helixtrans-60.3-37.4179.1-63.9163.5000112.3H248 L249 F254 I292 F293H248-I252 VanDerWaalsContact NE2-CD1 3.3Å; H248-I252 WeakPolarHBondContact NE2-CD1 3.45Å; H248-I252 WeakPolarHBondContact O-CG1 3.36Å; H248-I252 PolarHBondContact O-N 3.19Å; L249-I252 PolarHBondContact O-N 2.99Å; I252-F254 VanDerWaalsContact C-N 3.28Å; I252-F254 PolarHBondContact O-N 3.33Å; I252-I292 HydrophobicContact CB-CG2 4.15Å; I252-I292 HydrophobicContact CD1-CG2 4.34Å; I252-I292 HydrophobicContact CG2-CG1 4.46Å; I252-I292 HydrophobicContact CG2-CG2 3.71Å; I252-F293 HydrophobicContact CD1-CE2 4.38Å; I252-F293 HydrophobicContact CD1-CZ 3.72Å
253A83.7Confident76.3Confident0 Ų062.6 Ų62.60%034%0.337CS..Hα-helixtrans-64-34.2-177.900000112.6L249 E251 H288 L289 I292L249-A253 HydrophobicContact CD2-CB 4.46Å; L249-A253 WeakPolarHBondContact O-CB 3.29Å; L249-A253 PolarHBondContact O-N 3.22Å; E251-A253 VanDerWaalsContact C-N 3.28Å; E251-A253 PolarHBondContact O-N 3.2Å; A253-H288 PolarHBondContact O-NE2 3.32Å; A253-L289 HydrophobicContact CB-CD2 3.85Å; A253-I292 HydrophobicContact CB-CD1 3.51Å
254F84Confident76.5Confident23 Ų2362.5 Ų62.510%0.10133%0.333CS..Hα-helixtrans-127.84.7-169.1-52.9-56.6000114.4K157 E250 E251 I252 T262 P263 F266 L285K157-F254 HydrophobicContact CD-CB 4.11Å; K157-F254 VanDerWaalsContact NZ-C 3.28Å; K157-F254 PolarHBondContact NZ-O 2.76Å; E250-F254 VanDerWaalsContact O-CD2 3.24Å; E250-F254 WeakPolarHBondContact O-CD2 3.24Å; E250-F254 PolarHBondContact O-N 2.9Å; E251-F254 CarbonylContact O-C 3.58Å; E251-F254 PolarHBondContact O-N 3.28Å; I252-F254 VanDerWaalsContact C-N 3.28Å; I252-F254 PolarHBondContact O-N 3.33Å; F254-T262 HydrophobicContact CD1-CG2 4.33Å; F254-P263 HydrophobicContact CE1-CG 3.78Å; F254-P263 HydrophobicContact CZ-CG 3.81Å; F254-F266 HydrophobicContact CE2-CB 4.38Å; F254-F266 AromaticContact CE2-CD1 3.69Å; F254-F266 HydrophobicContact CE2-CD1 3.69Å; F254-F266 AromaticContact CE2-CD2 3.92Å; F254-F266 HydrophobicContact CE2-CD2 3.92Å; F254-F266 AromaticContact CE2-CE1 3.74Å; F254-F266 HydrophobicContact CE2-CE1 3.74Å; F254-F266 AromaticContact CE2-CE2 3.95Å; F254-F266 HydrophobicContact CE2-CE2 3.95Å; F254-F266 AromaticContact CE2-CG 3.75Å; F254-F266 HydrophobicContact CE2-CG 3.75Å; F254-F266 AromaticContact CE2-CZ 3.82Å; F254-F266 HydrophobicContact CE2-CZ 3.82Å; F254-F266 HydrophobicContact CZ-CD1 4.31Å; F254-F266 AromaticContact CZ-CD2 3.67Å; F254-F266 HydrophobicContact CZ-CD2 3.67Å; F254-F266 HydrophobicContact CZ-CE1 4.32Å; F254-F266 AromaticContact CZ-CE2 3.67Å; F254-F266 HydrophobicContact CZ-CE2 3.67Å; F254-F266 AromaticContact CZ-CG 3.95Å; F254-F266 HydrophobicContact CZ-CG 3.95Å; F254-F266 AromaticContact CZ-CZ 3.97Å; F254-F266 HydrophobicContact CZ-CZ 3.97Å; F254-L285 HydrophobicContact CE1-CD1 4.28Å; F254-L285 HydrophobicContact CZ-CD1 4.48Å
255E71.8Confident76.5Confident125 Ų12558.2 Ų58.258%0.58431%0.311SS*.THydrogen-bonded Turntrans-77.6125.1169.5-168.9174.5-159.600108.3E251E251-E255 HydrophobicContact CG-CB 4.46Å; E251-E255 WeakPolarHBondContact O-CA 3.36Å; E251-E255 WeakPolarHBondContact O-CB 3.2Å; E251-E255 PolarHBondContact O-N 2.91Å
256G60.1Low76.6Confident58 Ų5857 Ų5760%0.59830%0.303SS*.THydrogen-bonded Turntrans96.70.8-179.800000117.3D258G256-D258 PolarHBondContact O-N 2.83Å
257S55.6Low76.7Confident93 Ų9357 Ų5765%0.6530%0.303SS*.SBendtrans32.76.2163.866.10000123N259S257-N259 PolarHBondContact O-N 2.9Å
258D55Low76.7Confident145 Ų14554.9 Ų54.978%0.77529%0.292SS*.  trans-86.61.8173.9-71.7-20.3000111.7G256 H260G256-D258 PolarHBondContact O-N 2.83Å; D258-H260 PolarHBondContact O-N 3.22Å
259N59.5Low76.2Confident69 Ų6954.7 Ų54.737%0.36929%0.289SS..  trans-71.8111.4174.4-71.7-22.6000109.8S257 C261 T262S257-N259 PolarHBondContact O-N 2.9Å; N259-C261 PolarHBondContact O-N 3.36Å; N259-T262 PolarHBondContact O-N 3.38Å; N259-T262 PolarHBondContact O-OG1 2.83Å
260H63.8Low75.7Confident184 Ų18459.1 Ų59.185%0.85232%0.316SS*.THydrogen-bonded Turntrans-53.1-12.2174.5-72.6-66.6000114.8D258D258-H260 PolarHBondContact O-N 3.22Å
261C72.7Confident75.4Confident15 Ų1562 Ų6210%0.10133%0.332CS..THydrogen-bonded Turntrans-100.612.4-178.2-145.40000114.8N259 P263 Q281 A284 L285N259-C261 PolarHBondContact O-N 3.36Å; C261-P263 WeakPolarHBondContact O-CD 3.45Å; C261-Q281 PolarHBondContact SG-O 3.31Å; C261-A284 HydrophobicContact CB-CB 4.49Å; C261-A284 VanDerWaalsContact SG-CB 3.5Å; C261-L285 WeakPolarHBondContact SG-CA 3.42Å; C261-L285 VanDerWaalsContact SG-CB 3.52Å; C261-L285 PolarHBondContact SG-N 3.42Å
262T80.1Confident75.3Confident65 Ų6560.8 Ų60.840%0.39933%0.327SS..  trans-65.3122.5-178.8-56.30000110.7F254 N259F254-T262 HydrophobicContact CD1-CG2 4.33Å; N259-T262 PolarHBondContact O-N 3.38Å; N259-T262 PolarHBondContact O-OG1 2.83Å
263P84.9Confident75.4Confident15 Ų1557.6 Ų57.610%0.09731%0.311CS..  trans-67148.6177.730.6-37.1000110.5F254 C261 L265 F266 A275 I276 V277F254-P263 HydrophobicContact CE1-CG 3.78Å; F254-P263 HydrophobicContact CZ-CG 3.81Å; C261-P263 WeakPolarHBondContact O-CD 3.45Å; P263-L265 PolarHBondContact O-N 2.85Å; P263-F266 HydrophobicContact CB-CD2 4.45Å; P263-F266 HydrophobicContact CG-CB 3.8Å; P263-F266 HydrophobicContact CG-CD2 3.74Å; P263-F266 HydrophobicContact CG-CG 4.17Å; P263-A275 HydrophobicContact CB-CB 4.35Å; P263-I276 CarbonylContact C-O 3.45Å; P263-V277 HydrophobicContact CB-CG2 4.03Å
264R83.3Confident75.6Confident86 Ų8657.9 Ų57.933%0.32531%0.312SS..SBendtrans-66.8-30.8174.4-179.9174.2173.2131.6-11.8111.8Y4 E164 I276Y4-R264 HydrophobicContact CD1-CB 4.35Å; Y4-R264 HydrophobicContact CE1-CB 3.94Å; Y4-R264 HydrophobicContact CE1-CG 4.47Å; E164-R264 IonicContact OE1-CZ 3.64Å; E164-R264 IonicContact OE1-NE 3.83Å; E164-R264 IonicContact OE1-NH2 2.84Å; E164-R264 PolarHBondContact OE1-NH2 2.93Å; E164-R264 IonicContact OE2-CZ 3.16Å; E164-R264 IonicContact OE2-NE 2.72Å; E164-R264 PolarHBondContact OE2-NE 2.9Å; E164-R264 IonicContact OE2-NH2 2.79Å; E164-R264 PolarHBondContact OE2-NH2 3.22Å; R264-I276 HydrophobicContact CB-CB 4.45Å; R264-I276 HydrophobicContact CB-CG2 4.35Å; R264-I276 PolarHBondContact N-O 3.24Å
265L83Confident75.8Confident8 Ų856.8 Ų56.84%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-144136.4175.7179.596.2000107.9V158 C168 P263 K267 F274 A275 I276V158-L265 HydrophobicContact CG2-CD1 4.49Å; C168-L265 HydrophobicContact CB-CD1 3.78Å; C168-L265 HydrophobicContact CB-CD2 3.93Å; C168-L265 HydrophobicContact CB-CG 4.46Å; C168-L265 WeakPolarHBondContact SG-CD2 3.45Å; P263-L265 PolarHBondContact O-N 2.85Å; L265-K267 HydrophobicContact CD1-CG 4.03Å; L265-K267 HydrophobicContact CD2-CG 4.26Å; L265-K267 HydrophobicContact CG-CG 4.04Å; L265-F274 HydrophobicContact CD2-CD1 3.48Å; L265-F274 VanDerWaalsContact CD2-CD1 3.48Å; L265-F274 HydrophobicContact CD2-CE1 3.52Å; L265-A275 CarbonylContact O-C 3.57Å; L265-A275 WeakPolarHBondContact O-CA 3.42Å; L265-A275 WeakPolarHBondContact O-CB 3.3Å; L265-I276 HydrophobicContact CB-CB 4.06Å; L265-I276 HydrophobicContact CB-CD1 4.05Å; L265-I276 HydrophobicContact CB-CG1 4.06Å; L265-I276 HydrophobicContact CD2-CD1 3.89Å; L265-I276 HydrophobicContact CD2-CG1 4.01Å; L265-I276 PolarHBondContact O-N 2.75Å
266F84.4Confident76.6Confident18 Ų1851.3 Ų51.38%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-138.5116.9171.9-163.1-93.1000108.2E250 F254 P263 I273 A275E250-F266 HydrophobicContact CG-CD1 4.43Å; E250-F266 HydrophobicContact CG-CE1 3.76Å; F254-F266 HydrophobicContact CE2-CB 4.38Å; F254-F266 AromaticContact CE2-CD1 3.69Å; F254-F266 HydrophobicContact CE2-CD1 3.69Å; F254-F266 AromaticContact CE2-CD2 3.92Å; F254-F266 HydrophobicContact CE2-CD2 3.92Å; F254-F266 AromaticContact CE2-CE1 3.74Å; F254-F266 HydrophobicContact CE2-CE1 3.74Å; F254-F266 AromaticContact CE2-CE2 3.95Å; F254-F266 HydrophobicContact CE2-CE2 3.95Å; F254-F266 AromaticContact CE2-CG 3.75Å; F254-F266 HydrophobicContact CE2-CG 3.75Å; F254-F266 AromaticContact CE2-CZ 3.82Å; F254-F266 HydrophobicContact CE2-CZ 3.82Å; F254-F266 HydrophobicContact CZ-CD1 4.31Å; F254-F266 AromaticContact CZ-CD2 3.67Å; F254-F266 HydrophobicContact CZ-CD2 3.67Å; F254-F266 HydrophobicContact CZ-CE1 4.32Å; F254-F266 AromaticContact CZ-CE2 3.67Å; F254-F266 HydrophobicContact CZ-CE2 3.67Å; F254-F266 AromaticContact CZ-CG 3.95Å; F254-F266 HydrophobicContact CZ-CG 3.95Å; F254-F266 AromaticContact CZ-CZ 3.97Å; F254-F266 HydrophobicContact CZ-CZ 3.97Å; P263-F266 HydrophobicContact CB-CD2 4.45Å; P263-F266 HydrophobicContact CG-CB 3.8Å; P263-F266 HydrophobicContact CG-CD2 3.74Å; P263-F266 HydrophobicContact CG-CG 4.17Å; F266-I273 HydrophobicContact CD1-CD1 4.42Å; F266-I273 HydrophobicContact CD1-CG2 3.74Å; F266-I273 HydrophobicContact CD2-CG2 3.89Å; F266-I273 HydrophobicContact CE1-CD1 3.37Å; F266-I273 HydrophobicContact CE1-CG1 4.44Å; F266-I273 HydrophobicContact CE1-CG2 3.53Å; F266-I273 HydrophobicContact CE2-CD1 4.49Å; F266-I273 HydrophobicContact CE2-CG2 3.72Å; F266-I273 HydrophobicContact CG-CG2 3.95Å; F266-I273 HydrophobicContact CZ-CB 4.38Å; F266-I273 HydrophobicContact CZ-CD1 3.45Å; F266-I273 VanDerWaalsContact CZ-CD1 3.45Å; F266-I273 HydrophobicContact CZ-CG1 4.48Å; F266-I273 HydrophobicContact CZ-CG2 3.57Å; F266-A275 HydrophobicContact CD2-CB 3.81Å; F266-A275 HydrophobicContact CE2-CB 4.44Å
267K82.7Confident78Confident10 Ų1048.7 Ų48.74%0.04326%0.255CS..EExtended strand (participates in β ladder)trans-137.9123.8-176.6-71.7-70.6-175.9177.80110.1S156 F172 L265 I273 F274S156-K267 VanDerWaalsContact CB-NZ 3.34Å; F172-K267 HydrophobicContact CD1-CB 4.43Å; F172-K267 HydrophobicContact CD2-CB 3.66Å; F172-K267 HydrophobicContact CD2-CD 4.4Å; F172-K267 HydrophobicContact CD2-CG 3.98Å; F172-K267 HydrophobicContact CE1-CB 3.88Å; F172-K267 HydrophobicContact CE2-CB 3.06Å; F172-K267 HydrophobicContact CE2-CG 3.76Å; F172-K267 HydrophobicContact CG-CB 4.35Å; F172-K267 HydrophobicContact CZ-CB 3.19Å; F172-K267 HydrophobicContact CZ-CG 4.34Å; F172-K267 WeakPolarHBondContact CZ-O 3.38Å; L265-K267 HydrophobicContact CD1-CG 4.03Å; L265-K267 HydrophobicContact CD2-CG 4.26Å; L265-K267 HydrophobicContact CG-CG 4.04Å; K267-I273 CarbonylContact O-C 3.52Å; K267-I273 WeakPolarHBondContact O-CA 3.23Å; K267-I273 WeakPolarHBondContact O-CG2 3.47Å; K267-F274 PolarHBondContact N-O 2.74Å; K267-F274 PolarHBondContact O-N 3.1Å
268R82.7Confident79.6Confident40 Ų4050 Ų5015%0.15125%0.248CC..EExtended strand (participates in β ladder)trans-100.5143.4-176.9179.9166.965.6103.3-2.3112F172 M246 E250 V270 I273F172-R268 WeakPolarHBondContact CE1-O 3.26Å; M246-R268 VanDerWaalsContact CB-CZ 3.46Å; M246-R268 VanDerWaalsContact CB-NH1 3.26Å; E250-R268 WeakPolarHBondContact OE1-CB 3.4Å; E250-R268 WeakPolarHBondContact OE1-CD 3.46Å; E250-R268 IonicContact OE1-CZ 3.87Å; E250-R268 IonicContact OE1-NE 2.77Å; E250-R268 PolarHBondContact OE1-NE 3.04Å; R268-V270 VanDerWaalsContact CD-O 3.25Å; R268-V270 WeakPolarHBondContact CD-O 3.43Å; R268-V270 VanDerWaalsContact CG-O 3.32Å; R268-V270 WeakPolarHBondContact CG-O 3.31Å; R268-V270 PolarHBondContact NH1-O 3.11Å; R268-I273 HydrophobicContact CB-CD1 3.96Å; R268-I273 HydrophobicContact CB-CG1 3.85Å; R268-I273 HydrophobicContact CG-CD1 4.01Å; R268-I273 HydrophobicContact CG-CG1 3.82Å
269Y74.5Confident81.3Confident45 Ų4548.3 Ų48.318%0.17623%0.234CC..EExtended strand (participates in β ladder)trans-128.8104.8162.8-178.9-94.3000108L175 F179 D271 D272 L312L175-Y269 HydrophobicContact CB-CD2 4.49Å; F179-Y269 WeakPolarHBondContact CB-OH 3.35Å; F179-Y269 HydrophobicContact CD1-CE1 4.46Å; F179-Y269 WeakPolarHBondContact CD1-OH 3.44Å; F179-Y269 AromaticContact CD2-CE1 3.77Å; F179-Y269 HydrophobicContact CD2-CE1 3.77Å; F179-Y269 AromaticContact CD2-CE2 3.79Å; F179-Y269 HydrophobicContact CD2-CE2 3.79Å; F179-Y269 AromaticContact CD2-CZ 3.24Å; F179-Y269 WeakPolarHBondContact CD2-OH 3.18Å; F179-Y269 HydrophobicContact CE1-CE1 4.11Å; F179-Y269 HydrophobicContact CE2-CD1 4.17Å; F179-Y269 AromaticContact CE2-CE1 3.39Å; F179-Y269 HydrophobicContact CE2-CE1 3.39Å; F179-Y269 HydrophobicContact CE2-CE2 4.18Å; F179-Y269 AromaticContact CE2-CZ 3.42Å; F179-Y269 VanDerWaalsContact CE2-CZ 3.42Å; F179-Y269 HydrophobicContact CG-CE1 4.31Å; F179-Y269 HydrophobicContact CG-CE2 4.37Å; F179-Y269 AromaticContact CG-CZ 3.63Å; F179-Y269 WeakPolarHBondContact CG-OH 3.49Å; F179-Y269 HydrophobicContact CZ-CD1 4.49Å; F179-Y269 AromaticContact CZ-CE1 3.57Å; F179-Y269 HydrophobicContact CZ-CE1 3.57Å; F179-Y269 AromaticContact CZ-CZ 3.91Å; Y269-D271 PolarHBondContact O-N 3.39Å; Y269-D272 PolarHBondContact N-O 2.82Å; Y269-D272 PolarHBondContact O-N 3.25Å; Y269-L312 HydrophobicContact CD1-CD1 3.68Å; Y269-L312 HydrophobicContact CE1-CD1 4.18Å; Y269-L312 HydrophobicContact CG-CD1 4.3Å
270V74.8Confident82.7Confident93 Ų9347.6 Ų47.656%0.56424%0.244SC*.THydrogen-bonded Turntrans52.6-100.7-174.1-170.30000111.6R268R268-V270 VanDerWaalsContact CD-O 3.25Å; R268-V270 WeakPolarHBondContact CD-O 3.43Å; R268-V270 VanDerWaalsContact CG-O 3.32Å; R268-V270 WeakPolarHBondContact CG-O 3.31Å; R268-V270 PolarHBondContact NH1-O 3.11Å
271D77.9Confident84Confident82 Ų8242.1 Ų42.144%0.43922%0.218SC..THydrogen-bonded Turntrans-105.1-10.8-178.957-35.2000114F11 Y269F11-D271 PolarHBondContact N-O 2.78Å; Y269-D271 PolarHBondContact O-N 3.39Å
272D82.2Confident84.8Confident35 Ų3542.3 Ų42.319%0.18722%0.218CC..EExtended strand (participates in β ladder)trans-100.5124.7178.6-75.5-41.4000111.3Y269 L311 L312Y269-D272 PolarHBondContact N-O 2.82Å; Y269-D272 PolarHBondContact O-N 3.25Å; D272-L311 HydrophobicContact CB-CD1 4.37Å; D272-L312 WeakPolarHBondContact OD2-CD2 3.11Å
273I86.6Confident85.3Confident0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans-118125.5-179.9-52.3-164.5000110.6V8 V9 F11 M246 F266 K267 R268V8-I273 CarbonylContact C-O 3.58Å; V8-I273 VanDerWaalsContact CA-O 3.23Å; V8-I273 WeakPolarHBondContact CA-O 3.1Å; V9-I273 HydrophobicContact CB-CB 4.13Å; V9-I273 PolarHBondContact N-O 2.81Å; V9-I273 PolarHBondContact O-N 2.92Å; F11-I273 HydrophobicContact CD2-CD1 3.93Å; F11-I273 HydrophobicContact CD2-CG1 4.05Å; F11-I273 HydrophobicContact CE2-CB 4.32Å; F11-I273 HydrophobicContact CE2-CD1 3.1Å; F11-I273 HydrophobicContact CE2-CG1 3.52Å; F11-I273 HydrophobicContact CZ-CD1 3.65Å; F11-I273 HydrophobicContact CZ-CG1 4.5Å; M246-I273 HydrophobicContact CE-CD1 4.03Å; F266-I273 HydrophobicContact CD1-CD1 4.42Å; F266-I273 HydrophobicContact CD1-CG2 3.74Å; F266-I273 HydrophobicContact CD2-CG2 3.89Å; F266-I273 HydrophobicContact CE1-CD1 3.37Å; F266-I273 HydrophobicContact CE1-CG1 4.44Å; F266-I273 HydrophobicContact CE1-CG2 3.53Å; F266-I273 HydrophobicContact CE2-CD1 4.49Å; F266-I273 HydrophobicContact CE2-CG2 3.72Å; F266-I273 HydrophobicContact CG-CG2 3.95Å; F266-I273 HydrophobicContact CZ-CB 4.38Å; F266-I273 HydrophobicContact CZ-CD1 3.45Å; F266-I273 VanDerWaalsContact CZ-CD1 3.45Å; F266-I273 HydrophobicContact CZ-CG1 4.48Å; F266-I273 HydrophobicContact CZ-CG2 3.57Å; K267-I273 CarbonylContact O-C 3.52Å; K267-I273 WeakPolarHBondContact O-CA 3.23Å; K267-I273 WeakPolarHBondContact O-CG2 3.47Å; R268-I273 HydrophobicContact CB-CD1 3.96Å; R268-I273 HydrophobicContact CB-CG1 3.85Å; R268-I273 HydrophobicContact CG-CD1 4.01Å; R268-I273 HydrophobicContact CG-CG1 3.82Å
274F87.9Confident85.6Confident6 Ų646.1 Ų46.13%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-89.5123.4168.2-178.1-100.1000110C6 F172 L265 K267 I276 L309 L311 L323C6-F274 HydrophobicContact CB-CE2 3.89Å; C6-F274 HydrophobicContact CB-CZ 4.02Å; F172-F274 HydrophobicContact CE2-CB 4.16Å; F172-F274 HydrophobicContact CZ-CB 3.87Å; L265-F274 HydrophobicContact CD2-CD1 3.48Å; L265-F274 VanDerWaalsContact CD2-CD1 3.48Å; L265-F274 HydrophobicContact CD2-CE1 3.52Å; K267-F274 PolarHBondContact N-O 2.74Å; K267-F274 PolarHBondContact O-N 3.1Å; F274-I276 HydrophobicContact CE1-CD1 4.14Å; F274-I276 HydrophobicContact CE1-CG1 3.88Å; F274-I276 HydrophobicContact CZ-CG1 4.2Å; F274-L309 HydrophobicContact CD2-CD2 3.81Å; F274-L309 HydrophobicContact CE2-CD2 3.65Å; F274-L311 HydrophobicContact CB-CD2 3.89Å; F274-L311 HydrophobicContact CD2-CD2 4.1Å; F274-L311 HydrophobicContact CG-CD2 4.25Å; F274-L323 HydrophobicContact CE1-CD1 4.29Å; F274-L323 HydrophobicContact CZ-CD1 3.95Å
275A88.6Confident85.9Confident0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-130.3147.1176.800000112.9C6 I7 P263 L265 F266 V277C6-A275 WeakPolarHBondContact CA-O 3.49Å; I7-A275 HydrophobicContact CD1-CB 4.29Å; I7-A275 HydrophobicContact CG1-CB 3.86Å; I7-A275 PolarHBondContact N-O 3Å; I7-A275 PolarHBondContact O-N 2.86Å; P263-A275 HydrophobicContact CB-CB 4.35Å; L265-A275 CarbonylContact O-C 3.57Å; L265-A275 WeakPolarHBondContact O-CA 3.42Å; L265-A275 WeakPolarHBondContact O-CB 3.3Å; F266-A275 HydrophobicContact CD2-CB 3.81Å; F266-A275 HydrophobicContact CE2-CB 4.44Å; A275-V277 HydrophobicContact CB-CG2 4.22Å
276I88.7Confident86.3Confident10 Ų1043.5 Ų43.55%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-111.3116172.1-59.2175.8000107.8Y4 P263 R264 L265 F274 L323Y4-I276 HydrophobicContact CD1-CG2 4.04Å; Y4-I276 HydrophobicContact CG-CG2 4.33Å; P263-I276 CarbonylContact C-O 3.45Å; R264-I276 HydrophobicContact CB-CB 4.45Å; R264-I276 HydrophobicContact CB-CG2 4.35Å; R264-I276 PolarHBondContact N-O 3.24Å; L265-I276 HydrophobicContact CB-CB 4.06Å; L265-I276 HydrophobicContact CB-CD1 4.05Å; L265-I276 HydrophobicContact CB-CG1 4.06Å; L265-I276 HydrophobicContact CD2-CD1 3.89Å; L265-I276 HydrophobicContact CD2-CG1 4.01Å; L265-I276 PolarHBondContact O-N 2.75Å; F274-I276 HydrophobicContact CE1-CD1 4.14Å; F274-I276 HydrophobicContact CE1-CG1 3.88Å; F274-I276 HydrophobicContact CZ-CG1 4.2Å; I276-L323 HydrophobicContact CD1-CD1 4.16Å
277V89.9Confident86.6Confident3 Ų350.4 Ų50.42%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-124.5151.3-171.6-169.80000109.6Y4 M5 I7 P263 A275 Q281 L285Y4-V277 CarbonylContact C-O 3.56Å; Y4-V277 VanDerWaalsContact CA-O 3.31Å; Y4-V277 WeakPolarHBondContact CA-O 3.39Å; M5-V277 PolarHBondContact N-O 3Å; M5-V277 PolarHBondContact O-N 3.03Å; I7-V277 HydrophobicContact CD1-CG2 3.56Å; I7-V277 HydrophobicContact CG1-CG2 3.98Å; P263-V277 HydrophobicContact CB-CG2 4.03Å; A275-V277 HydrophobicContact CB-CG2 4.22Å; V277-Q281 HydrophobicContact CG1-CB 3.76Å; V277-L285 HydrophobicContact CG2-CD2 3.7Å
278K89.5Confident86.9Confident120 Ų12052 Ų5252%0.52227%0.267SS..EExtended strand (participates in β ladder)trans-63.5138.4170.2-69.8-178.2-179.4177.50109.3D3 Y4 G280 Q281D3-K278 CarbonylContact O-C 3.57Å; D3-K278 WeakPolarHBondContact O-CA 3.2Å; Y4-K278 HydrophobicContact CD1-CG 3.98Å; Y4-K278 HydrophobicContact CE1-CG 3.5Å; K278-G280 PolarHBondContact O-N 2.82Å; K278-Q281 HydrophobicContact CB-CB 4.43Å; K278-Q281 HydrophobicContact CB-CG 4Å; K278-Q281 WeakPolarHBondContact O-CB 2.94Å; K278-Q281 PolarHBondContact O-N 2.74Å
279K89.7Confident87.1Confident110 Ų11050.2 Ų50.248%0.47826%0.26SS..THydrogen-bonded Turntrans-56.1132.3176.3-73.9178.41751740110.4D2 D3 Y4 M5 Q281D2-K279 WeakPolarHBondContact O-CD 3.42Å; D2-K279 WeakPolarHBondContact O-CE 3.45Å; D2-K279 PolarHBondContact O-NZ 3.09Å; D3-K279 PolarHBondContact O-N 3.45Å; Y4-K279 WeakPolarHBondContact O-CE 3.35Å; M5-K279 HydrophobicContact CB-CG 3.99Å; K279-Q281 VanDerWaalsContact C-N 3.33Å
280G88.9Confident87.8Confident55 Ų5550.3 Ų50.357%0.56726%0.264SS*.THydrogen-bonded Turntrans88.3-8.8-176.700000114.4K278 E282K278-G280 PolarHBondContact O-N 2.82Å; G280-E282 VanDerWaalsContact CA-OE2 3.27Å; G280-E282 WeakPolarHBondContact CA-OE2 3.49Å; G280-E282 PolarHBondContact N-OE2 3.36Å
281Q90.1Very high88.4Confident69 Ų6949.5 Ų49.532%0.32226%0.262SS..  trans-97.1-5.9176.6-62.8-64.8-43.700112.7C261 V277 K278 K279 E283 A284 L285C261-Q281 PolarHBondContact SG-O 3.31Å; V277-Q281 HydrophobicContact CG1-CB 3.76Å; K278-Q281 HydrophobicContact CB-CB 4.43Å; K278-Q281 HydrophobicContact CB-CG 4Å; K278-Q281 WeakPolarHBondContact O-CB 2.94Å; K278-Q281 PolarHBondContact O-N 2.74Å; K279-Q281 VanDerWaalsContact C-N 3.33Å; Q281-E283 VanDerWaalsContact C-N 3.34Å; Q281-E283 PolarHBondContact O-N 3.03Å; Q281-A284 PolarHBondContact O-N 2.92Å; Q281-L285 PolarHBondContact O-N 3.41Å
282E90.8Very high88.8Confident19 Ų1947 Ų479%0.08925%0.248CC..Hα-helixtrans-62.1-38.4-177.465.1-84.4-163.300113.3M5 I7 G280 L285 L286 I301 R303M5-E282 HydrophobicContact CE-CB 3.98Å; M5-E282 HydrophobicContact CE-CG 3.66Å; M5-E282 WeakPolarHBondContact CE-OE1 3.01Å; I7-E282 HydrophobicContact CG2-CB 4.33Å; G280-E282 VanDerWaalsContact CA-OE2 3.27Å; G280-E282 WeakPolarHBondContact CA-OE2 3.49Å; G280-E282 PolarHBondContact N-OE2 3.36Å; E282-L285 PolarHBondContact O-N 3.06Å; E282-L286 WeakPolarHBondContact O-CB 3.48Å; E282-L286 PolarHBondContact O-N 3.26Å; E282-I301 HydrophobicContact CB-CD1 4.01Å; E282-I301 HydrophobicContact CG-CD1 4.12Å; E282-R303 IonicContact OE1-CZ 3.17Å; E282-R303 IonicContact OE1-NH1 2.75Å; E282-R303 PolarHBondContact OE1-NH1 3.49Å
283E91.3Very high88.8Confident117 Ų11747.3 Ų47.355%0.54725%0.248SC..Hα-helixtrans-73.3-35.4177.5-70-174.4-171.700111.9Q281 L285 L286 K287 R303Q281-E283 VanDerWaalsContact C-N 3.34Å; Q281-E283 PolarHBondContact O-N 3.03Å; E283-L285 VanDerWaalsContact C-N 3.28Å; E283-L285 PolarHBondContact O-N 3.34Å; E283-L286 PolarHBondContact O-N 3.03Å; E283-K287 VanDerWaalsContact O-CB 3.29Å; E283-K287 WeakPolarHBondContact O-CB 3.23Å; E283-K287 PolarHBondContact O-N 3.01Å; E283-R303 VanDerWaalsContact CG-NH2 3.31Å; E283-R303 IonicContact OE1-CZ 2.72Å; E283-R303 IonicContact OE1-NH1 2.92Å; E283-R303 IonicContact OE1-NH2 3.53Å; E283-R303 PolarHBondContact OE1-NH2 2.89Å
284A90.6Very high88.5Confident42 Ų4251.4 Ų51.435%0.34728%0.275SS..Hα-helixtrans-63.4-38.9173.200000110.6C261 Q281 K287 H288C261-A284 HydrophobicContact CB-CB 4.49Å; C261-A284 VanDerWaalsContact SG-CB 3.5Å; Q281-A284 PolarHBondContact O-N 2.92Å; A284-K287 PolarHBondContact O-N 3.31Å; A284-H288 WeakPolarHBondContact O-CB 3.18Å; A284-H288 PolarHBondContact O-N 3.32Å
285L89.5Confident87.8Confident0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-68.6-46.9178.6179.862.1000110I7 F254 C261 V277 Q281 E282 E283 K287 H288 L289I7-L285 HydrophobicContact CD1-CD2 3.95Å; F254-L285 HydrophobicContact CE1-CD1 4.28Å; F254-L285 HydrophobicContact CZ-CD1 4.48Å; C261-L285 WeakPolarHBondContact SG-CA 3.42Å; C261-L285 VanDerWaalsContact SG-CB 3.52Å; C261-L285 PolarHBondContact SG-N 3.42Å; V277-L285 HydrophobicContact CG2-CD2 3.7Å; Q281-L285 PolarHBondContact O-N 3.41Å; E282-L285 PolarHBondContact O-N 3.06Å; E283-L285 VanDerWaalsContact C-N 3.28Å; E283-L285 PolarHBondContact O-N 3.34Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.14Å; L285-H288 WeakPolarHBondContact O-CB 3.29Å; L285-H288 PolarHBondContact O-N 3.43Å; L285-L289 HydrophobicContact CD1-CD1 4.2Å; L285-L289 HydrophobicContact CD1-CG 4.13Å; L285-L289 HydrophobicContact CG-CD1 4.04Å; L285-L289 HydrophobicContact CG-CG 4.36Å; L285-L289 VanDerWaalsContact O-CG 3.32Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 2.92Å
286L90.7Very high87.1Confident40 Ų4068.2 Ų68.221%0.20934%0.341CS..Hα-helixtrans-56.8-44.5175.8175.869.2000111.6E282 E283 N290 C299 I301E282-L286 WeakPolarHBondContact O-CB 3.48Å; E282-L286 PolarHBondContact O-N 3.26Å; E283-L286 PolarHBondContact O-N 3.03Å; L286-N290 VanDerWaalsContact CD1-ND2 3.3Å; L286-N290 WeakPolarHBondContact CD1-ND2 2.97Å; L286-N290 WeakPolarHBondContact O-CB 3.21Å; L286-N290 PolarHBondContact O-N 2.82Å; L286-N290 PolarHBondContact O-ND2 2.81Å; L286-C299 HydrophobicContact CD1-CB 4.12Å; L286-C299 WeakPolarHBondContact CD1-O 2.86Å; L286-I301 HydrophobicContact CB-CD1 4.15Å; L286-I301 HydrophobicContact CB-CG1 4.49Å; L286-I301 HydrophobicContact CB-CG2 4.28Å; L286-I301 HydrophobicContact CD1-CG1 4.44Å; L286-I301 HydrophobicContact CD1-CG2 4.04Å; L286-I301 HydrophobicContact CD2-CD1 4.17Å; L286-I301 HydrophobicContact CD2-CG1 4.04Å
287K90.2Very high86.6Confident163 Ų16368.1 Ų68.171%0.70934%0.341SS*.Hα-helixtrans-66.1-41.5178.6-172.8177.9179.8-178.10111.4E283 A284 L285 S291E283-K287 VanDerWaalsContact O-CB 3.29Å; E283-K287 WeakPolarHBondContact O-CB 3.23Å; E283-K287 PolarHBondContact O-N 3.01Å; A284-K287 PolarHBondContact O-N 3.31Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.14Å; K287-S291 WeakPolarHBondContact O-CB 3.08Å; K287-S291 PolarHBondContact O-N 3.03Å; K287-S291 VanDerWaalsContact O-N 3.07Å
288H89.1Confident86.4Confident43 Ų4370.4 Ų70.420%0.19936%0.357CS..Hα-helixtrans-59.7-54175178.459.6000111.2A253 A284 L285 N290 S291 I292A253-H288 PolarHBondContact O-NE2 3.32Å; A284-H288 WeakPolarHBondContact O-CB 3.18Å; A284-H288 PolarHBondContact O-N 3.32Å; L285-H288 WeakPolarHBondContact O-CB 3.29Å; L285-H288 PolarHBondContact O-N 3.43Å; H288-N290 VanDerWaalsContact C-N 3.34Å; H288-N290 PolarHBondContact O-N 3.3Å; H288-S291 WeakPolarHBondContact O-CB 3.27Å; H288-S291 PolarHBondContact O-N 3.18Å; H288-S291 PolarHBondContact O-OG 3.39Å; H288-I292 PolarHBondContact O-N 2.81Å
289L88.4Confident86.2Confident2 Ų265 Ų651%0.0134%0.335CS..Hα-helixtrans-59.6-42.5-179.7-65.7175.2000112.3V9 F11 L249 A253 L285 S291 I292 C299V9-L289 HydrophobicContact CG1-CD1 3.91Å; V9-L289 HydrophobicContact CG2-CD1 4.46Å; F11-L289 HydrophobicContact CZ-CD1 4.44Å; L249-L289 HydrophobicContact CD2-CD2 3.97Å; A253-L289 HydrophobicContact CB-CD2 3.85Å; L285-L289 HydrophobicContact CD1-CD1 4.2Å; L285-L289 HydrophobicContact CD1-CG 4.13Å; L285-L289 HydrophobicContact CG-CD1 4.04Å; L285-L289 HydrophobicContact CG-CG 4.36Å; L285-L289 VanDerWaalsContact O-CG 3.32Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 2.92Å; L289-S291 PolarHBondContact O-N 3.3Å; L289-I292 HydrophobicContact CD2-CD1 4.38Å; L289-I292 PolarHBondContact O-N 3.49Å; L289-C299 HydrophobicContact CB-CB 4.39Å
290N88.7Confident86.2Confident48 Ų4863.3 Ų63.326%0.25733%0.333SS..Hα-helixtrans-69.1-17.3175.9-78.9-46.1000113.9L286 H288 S298 C299L286-N290 VanDerWaalsContact CD1-ND2 3.3Å; L286-N290 WeakPolarHBondContact CD1-ND2 2.97Å; L286-N290 WeakPolarHBondContact O-CB 3.21Å; L286-N290 PolarHBondContact O-N 2.82Å; L286-N290 PolarHBondContact O-ND2 2.81Å; H288-N290 VanDerWaalsContact C-N 3.34Å; H288-N290 PolarHBondContact O-N 3.3Å; N290-S298 WeakPolarHBondContact OD1-CA 3.02Å; N290-C299 PolarHBondContact ND2-O 3.17Å; N290-C299 PolarHBondContact OD1-N 2.77Å
291S87.5Confident86.4Confident75 Ų7562.1 Ų62.152%0.52431%0.314SS..Hα-helixtrans-84.7-19.8179.177.20000114K287 H288 L289 P294K287-S291 WeakPolarHBondContact O-CB 3.08Å; K287-S291 PolarHBondContact O-N 3.03Å; K287-S291 VanDerWaalsContact O-N 3.07Å; H288-S291 WeakPolarHBondContact O-CB 3.27Å; H288-S291 PolarHBondContact O-N 3.18Å; H288-S291 PolarHBondContact O-OG 3.39Å; L289-S291 PolarHBondContact O-N 3.3Å; S291-P294 WeakPolarHBondContact O-CD 3.49Å
292I85.6Confident86.5Confident30 Ų3063.9 Ų63.915%0.15432%0.322CS..Hα-helixtrans-68.1-49.2-177.1-60.2170.8000110.5L249 I252 A253 H288 L289 P294L249-I292 HydrophobicContact CD2-CD1 4.29Å; L249-I292 HydrophobicContact CG-CD1 4.47Å; I252-I292 HydrophobicContact CB-CG2 4.15Å; I252-I292 HydrophobicContact CD1-CG2 4.34Å; I252-I292 HydrophobicContact CG2-CG1 4.46Å; I252-I292 HydrophobicContact CG2-CG2 3.71Å; A253-I292 HydrophobicContact CB-CD1 3.51Å; H288-I292 PolarHBondContact O-N 2.81Å; L289-I292 HydrophobicContact CD2-CD1 4.38Å; L289-I292 PolarHBondContact O-N 3.49Å; I292-P294 WeakPolarHBondContact O-CD 3.14Å
293F83.4Confident86.6Confident41 Ų4167.7 Ų67.718%0.1834%0.336CS..SBendtrans-125.968.7-179.5-64.9-59.1000112H248 L249 I252 R295 K296 V297H248-F293 AromaticContact CD2-CZ 3.78Å; L249-F293 HydrophobicContact CB-CD2 4.36Å; L249-F293 HydrophobicContact CB-CE2 3.93Å; L249-F293 HydrophobicContact CD1-CD2 3.98Å; L249-F293 HydrophobicContact CD1-CE2 4.4Å; L249-F293 HydrophobicContact CG-CD2 4.12Å; L249-F293 HydrophobicContact CG-CE2 4.13Å; I252-F293 HydrophobicContact CD1-CE2 4.38Å; I252-F293 HydrophobicContact CD1-CZ 3.72Å; F293-R295 PolarHBondContact O-N 2.8Å; F293-K296 HydrophobicContact CB-CB 4.3Å; F293-K296 PolarHBondContact O-N 3.15Å; F293-V297 HydrophobicContact CB-CB 4.3Å; F293-V297 HydrophobicContact CB-CG2 4.31Å; F293-V297 PolarHBondContact O-N 2.97Å
294P79.4Confident86.6Confident86 Ų8663.1 Ų63.156%0.55831%0.314SS*.THydrogen-bonded Turntrans-59.2135.8-17826.4-33.5000110S291 I292 K296S291-P294 WeakPolarHBondContact O-CD 3.49Å; I292-P294 WeakPolarHBondContact O-CD 3.14Å; P294-K296 PolarHBondContact O-N 3.41Å
295R73.8Confident86.6Confident244 Ų24468 Ų6892%0.92133%0.333SS*.THydrogen-bonded Turntrans70.7-8.5-179.4-53.7176.3158.9-174-6117F293F293-R295 PolarHBondContact O-N 2.8Å
296K73.8Confident86.6Confident115 Ų11571.1 Ų71.150%0.537%0.365SS..THydrogen-bonded Turntrans-102.4-43178.1-63.4-176.4178.8-177.40112A14 F293 P294A14-K296 PolarHBondContact N-O 2.86Å; F293-K296 HydrophobicContact CB-CB 4.3Å; F293-K296 PolarHBondContact O-N 3.15Å; P294-K296 PolarHBondContact O-N 3.41Å
297V78.8Confident86.5Confident8 Ų875.6 Ų75.65%0.04838%0.379CS..EExtended strand (participates in β ladder)trans-127.3128.2-179.2-178.50000108F11 L245 L249 F293F11-V297 HydrophobicContact CD1-CG1 3.7Å; F11-V297 HydrophobicContact CE1-CG1 4.47Å; L245-V297 HydrophobicContact CD2-CG2 4.15Å; L249-V297 HydrophobicContact CD1-CG1 4.06Å; F293-V297 HydrophobicContact CB-CB 4.3Å; F293-V297 HydrophobicContact CB-CG2 4.31Å; F293-V297 PolarHBondContact O-N 2.97Å
298S84.2Confident86.6Confident52 Ų5273.1 Ų73.136%0.36437%0.368SS..EExtended strand (participates in β ladder)trans-115.4121.7172.153.10000108.6C12 N290C12-S298 WeakPolarHBondContact CA-O 3.24Å; C12-S298 WeakPolarHBondContact CB-O 3.2Å; C12-S298 WeakPolarHBondContact CB-OG 3.17Å; C12-S298 PolarHBondContact N-O 2.95Å; C12-S298 PolarHBondContact O-N 3.38Å; C12-S298 PolarHBondContact O-OG 3.22Å; N290-S298 WeakPolarHBondContact OD1-CA 3.02Å
299C85.6Confident86.7Confident7 Ų771.1 Ų71.15%0.04736%0.359CS..EExtended strand (participates in β ladder)trans-94.5143.6174.7-50.10000108.8V9 A10 F11 L286 L289 N290V9-C299 HydrophobicContact CG1-CB 4.02Å; A10-C299 CarbonylContact O-C 3.55Å; A10-C299 WeakPolarHBondContact O-CA 3.3Å; F11-C299 WeakPolarHBondContact CD1-SG 3.49Å; F11-C299 HydrophobicContact CE1-CB 4.46Å; F11-C299 WeakPolarHBondContact CE1-SG 3.37Å; L286-C299 HydrophobicContact CD1-CB 4.12Å; L286-C299 WeakPolarHBondContact CD1-O 2.86Å; L289-C299 HydrophobicContact CB-CB 4.39Å; N290-C299 PolarHBondContact ND2-O 3.17Å; N290-C299 PolarHBondContact OD1-N 2.77Å
300T90.2Very high86.8Confident73 Ų7372.6 Ų72.645%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-120.3156.2165.858.10000109V9 A10V9-T300 CarbonylContact C-O 3.51Å; V9-T300 VanDerWaalsContact CA-O 3.31Å; V9-T300 WeakPolarHBondContact CA-O 3.33Å; A10-T300 PolarHBondContact N-O 3.25Å; A10-T300 PolarHBondContact O-N 2.7Å
301I92.4Very high86.7Confident30 Ų3070.6 Ų70.615%0.15436%0.358CS..EExtended strand (participates in β ladder)trans-121.7135.4174.656.6172.9000110.9I7 V8 V9 E282 L286I7-I301 HydrophobicContact CD1-CG2 4.22Å; V8-I301 CarbonylContact O-C 3.57Å; V8-I301 VanDerWaalsContact O-CA 3.26Å; V8-I301 WeakPolarHBondContact O-CA 3.43Å; V9-I301 HydrophobicContact CB-CG2 4.46Å; V9-I301 HydrophobicContact CG1-CG2 4.32Å; V9-I301 HydrophobicContact CG2-CG2 4.03Å; E282-I301 HydrophobicContact CB-CD1 4.01Å; E282-I301 HydrophobicContact CG-CD1 4.12Å; L286-I301 HydrophobicContact CB-CD1 4.15Å; L286-I301 HydrophobicContact CB-CG1 4.49Å; L286-I301 HydrophobicContact CB-CG2 4.28Å; L286-I301 HydrophobicContact CD1-CG1 4.44Å; L286-I301 HydrophobicContact CD1-CG2 4.04Å; L286-I301 HydrophobicContact CD2-CD1 4.17Å; L286-I301 HydrophobicContact CD2-CG1 4.04Å
302E92.3Very high86.6Confident106 Ų10669.5 Ų69.550%0.49535%0.346SS..EExtended strand (participates in β ladder)trans-103.2127.4164.1-59.1-170.9169.900108.6I7 V8I7-E302 CarbonylContact C-O 3.57Å; I7-E302 VanDerWaalsContact CA-O 3.24Å; I7-E302 WeakPolarHBondContact CA-O 3.29Å; I7-E302 WeakPolarHBondContact CB-O 3.37Å; V8-E302 HydrophobicContact CB-CB 4.29Å; V8-E302 PolarHBondContact N-O 2.91Å; V8-E302 PolarHBondContact O-N 3.03Å
303R92.5Very high86.6Confident100 Ų10071.5 Ų71.538%0.37736%0.357SS..EExtended strand (participates in β ladder)trans-96.1149-178.2-55.8-178.2-165.6-169.613110.2M5 E282 E283 I305M5-R303 HydrophobicContact CE-CB 4.25Å; M5-R303 HydrophobicContact CE-CG 4.13Å; M5-R303 HydrophobicContact SD-CB 4.2Å; E282-R303 IonicContact OE1-CZ 3.17Å; E282-R303 IonicContact OE1-NH1 2.75Å; E282-R303 PolarHBondContact OE1-NH1 3.49Å; E283-R303 VanDerWaalsContact CG-NH2 3.31Å; E283-R303 IonicContact OE1-CZ 2.72Å; E283-R303 IonicContact OE1-NH1 2.92Å; E283-R303 IonicContact OE1-NH2 3.53Å; E283-R303 PolarHBondContact OE1-NH2 2.89Å; R303-I305 PolarHBondContact O-N 3.43Å
304E91.3Very high86.8Confident21 Ų2169.9 Ų69.910%0.09835%0.351CS..PPolyproline II helixtrans-61.9133.9173.783-170.5-168.900110.7M5 C6 K308 L309 R318M5-E304 HydrophobicContact CG-CB 4.47Å; M5-E304 HydrophobicContact CG-CG 3.71Å; M5-E304 HydrophobicContact SD-CG 4.26Å; C6-E304 WeakPolarHBondContact CB-OE2 3.37Å; C6-E304 PolarHBondContact N-OE2 2.81Å; C6-E304 WeakPolarHBondContact O-CB 3.09Å; C6-E304 PolarHBondContact O-N 3.18Å; C6-E304 PolarHBondContact SG-OE2 3.29Å; C6-E304 VanDerWaalsContact SG-OE2 3.39Å; E304-K308 WeakPolarHBondContact CA-O 3.21Å; E304-L309 HydrophobicContact CB-CB 4.05Å; E304-L309 HydrophobicContact CB-CD1 4.26Å; E304-R318 IonicContact OE1-CZ 2.73Å; E304-R318 IonicContact OE1-NE 3.25Å; E304-R318 PolarHBondContact OE1-NE 3.44Å; E304-R318 VanDerWaalsContact OE1-NE 3.09Å; E304-R318 IonicContact OE1-NH2 3.09Å; E304-R318 PolarHBondContact OE1-NH2 3.08Å; E304-R318 IonicContact OE2-NE 3.35Å; E304-R318 PolarHBondContact OE2-NE 3.23Å
305I90.7Very high87.4Confident145 Ų14567.3 Ų67.374%0.74433%0.332SS*.BIsolated β-bridgetrans-110.1122.7175.9-59.3175.6000107.8R303 R307 K308R303-I305 PolarHBondContact O-N 3.43Å; I305-R307 VanDerWaalsContact C-N 3.28Å; I305-R307 PolarHBondContact O-N 3.44Å; I305-K308 PolarHBondContact N-O 2.97Å; I305-K308 PolarHBondContact O-N 2.95Å
306G89.9Confident88.2Confident65 Ų6555.9 Ų55.967%0.6729%0.289SS*.THydrogen-bonded Turntrans59.936.7-18000000113.5K308G306-K308 PolarHBondContact O-N 2.93Å
307R89.7Confident88.8Confident133 Ų13351 Ų5150%0.50227%0.269SS..THydrogen-bonded Turntrans60.128.5-173.7-59.7-173.9-75-154.7-3.2113.6I305 P317 R318I305-R307 VanDerWaalsContact C-N 3.28Å; I305-R307 PolarHBondContact O-N 3.44Å; R307-P317 CarbonylContact O-C 3.58Å; R307-P317 WeakPolarHBondContact O-CA 3.3Å; R307-R318 HydrophobicContact CB-CB 4.25Å; R307-R318 PolarHBondContact O-N 2.92Å
308K91.2Very high89.2Confident112 Ų11251 Ų5149%0.48727%0.269SS..EExtended strand (participates in β ladder)trans-128.5130.8175.2-59.2178.6-178.3179.20108.9E304 I305 G306 L315 V316 P317E304-K308 WeakPolarHBondContact CA-O 3.21Å; I305-K308 PolarHBondContact N-O 2.97Å; I305-K308 PolarHBondContact O-N 2.95Å; G306-K308 PolarHBondContact O-N 2.93Å; K308-L315 HydrophobicContact CB-CD1 4.03Å; K308-L315 HydrophobicContact CB-CG 4.47Å; K308-L315 HydrophobicContact CD-CD2 4.34Å; K308-V316 WeakPolarHBondContact CA-O 3.25Å; K308-P317 HydrophobicContact CG-CB 4.18Å
309L91.7Very high89.1Confident0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-122.6120176.2-17375.5000109.5C6 V8 F274 E304 V316C6-L309 HydrophobicContact CB-CB 4.33Å; C6-L309 HydrophobicContact CB-CD2 3.75Å; V8-L309 HydrophobicContact CG2-CD1 4.1Å; V8-L309 HydrophobicContact CG2-CD2 3.57Å; V8-L309 HydrophobicContact CG2-CG 3.83Å; F274-L309 HydrophobicContact CD2-CD2 3.81Å; F274-L309 HydrophobicContact CE2-CD2 3.65Å; E304-L309 HydrophobicContact CB-CB 4.05Å; E304-L309 HydrophobicContact CB-CD1 4.26Å; L309-V316 PolarHBondContact N-O 3.18Å; L309-V316 VanDerWaalsContact N-O 3.09Å; L309-V316 PolarHBondContact O-N 3.31Å
310P91Very high88.7Confident34 Ų3454 Ų5422%0.22129%0.287CS..EExtended strand (participates in β ladder)trans-72.6134.3167.630.8-31.7000109.8V8 L315 Y328V8-P310 WeakPolarHBondContact CG2-O 3.09Å; P310-L315 HydrophobicContact CB-CD1 4.36Å; P310-Y328 HydrophobicContact CB-CD1 3.77Å; P310-Y328 HydrophobicContact CB-CD2 3.95Å; P310-Y328 HydrophobicContact CB-CE1 3.57Å; P310-Y328 HydrophobicContact CB-CE2 3.76Å; P310-Y328 HydrophobicContact CB-CG 3.95Å
311L86.1Confident88.1Confident5 Ų556.2 Ų56.23%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-138.3111.1171.117770.6000107.6V8 V171 L175 D272 F274 D313 V314V8-L311 HydrophobicContact CG1-CD1 3.94Å; V8-L311 HydrophobicContact CG2-CB 4.29Å; V8-L311 HydrophobicContact CG2-CD1 3.76Å; V171-L311 HydrophobicContact CG1-CD2 4.47Å; L175-L311 HydrophobicContact CD1-CD2 4.29Å; D272-L311 HydrophobicContact CB-CD1 4.37Å; F274-L311 HydrophobicContact CB-CD2 3.89Å; F274-L311 HydrophobicContact CD2-CD2 4.1Å; F274-L311 HydrophobicContact CG-CD2 4.25Å; L311-D313 PolarHBondContact O-N 3.38Å; L311-D313 VanDerWaalsContact O-N 3.16Å; L311-V314 CarbonylContact C-O 3.52Å; L311-V314 PolarHBondContact N-O 2.91Å; L311-V314 PolarHBondContact O-N 2.81Å
312L85.5Confident87.6Confident52 Ų5256 Ų5627%0.27230%0.302SS..THydrogen-bonded Turntrans52.7-118.5-175.6-62165.5000111.3L175 F179 Y269 D272L175-L312 HydrophobicContact CD1-CD1 4.15Å; L175-L312 HydrophobicContact CD2-CB 4.46Å; L175-L312 HydrophobicContact CD2-CD1 3.9Å; F179-L312 HydrophobicContact CE2-CD1 3.84Å; F179-L312 HydrophobicContact CZ-CD1 4.09Å; F179-L312 HydrophobicContact CZ-CD2 4.35Å; Y269-L312 HydrophobicContact CD1-CD1 3.68Å; Y269-L312 HydrophobicContact CE1-CD1 4.18Å; Y269-L312 HydrophobicContact CG-CD1 4.3Å; D272-L312 WeakPolarHBondContact OD2-CD2 3.11Å
313D85.8Confident87.2Confident72 Ų7251.6 Ų51.639%0.38528%0.282SS..THydrogen-bonded Turntrans-93.26.3179.5-87-31.8000113.8L311 Y328 R359 I363L311-D313 PolarHBondContact O-N 3.38Å; L311-D313 VanDerWaalsContact O-N 3.16Å; D313-Y328 PolarHBondContact O-N 2.89Å; D313-R359 VanDerWaalsContact CB-NH2 3.25Å; D313-R359 PolarHBondContact O-NH2 3.16Å; D313-R359 IonicContact OD1-CZ 2.81Å; D313-R359 IonicContact OD1-NH1 3.85Å; D313-R359 IonicContact OD1-NH2 2.79Å; D313-R359 PolarHBondContact OD1-NH2 3.36Å; D313-R359 IonicContact OD2-CZ 3.19Å; D313-R359 IonicContact OD2-NH2 2.97Å; D313-I363 HydrophobicContact CB-CD1 4.4Å
314V88.1Confident87Confident8 Ų848.9 Ų48.95%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-117.2132.1-174.9-175.10000110.1L175 L311 V316 R325 Y328 I363L175-V314 HydrophobicContact CD2-CG2 4.17Å; L311-V314 CarbonylContact C-O 3.52Å; L311-V314 PolarHBondContact N-O 2.91Å; L311-V314 PolarHBondContact O-N 2.81Å; V314-V316 HydrophobicContact CG1-CG2 4.08Å; V314-R325 HydrophobicContact CG1-CB 4.16Å; V314-R325 HydrophobicContact CG1-CG 4.26Å; V314-Y328 VanDerWaalsContact C-CB 3.5Å; V314-I363 HydrophobicContact CB-CG2 4.33Å; V314-I363 HydrophobicContact CG1-CG2 4Å; V314-I363 HydrophobicContact CG2-CD1 4.08Å; V314-I363 HydrophobicContact CG2-CG1 4.18Å; V314-I363 HydrophobicContact CG2-CG2 3.9Å
315L91.6Very high86.9Confident32 Ų3249.3 Ų49.317%0.16827%0.273CS..EExtended strand (participates in β ladder)trans-99.4127.1167.1-176.866.7000106.8K308 P310 P317 R325 T326 Y328K308-L315 HydrophobicContact CB-CD1 4.03Å; K308-L315 HydrophobicContact CB-CG 4.47Å; K308-L315 HydrophobicContact CD-CD2 4.34Å; P310-L315 HydrophobicContact CB-CD1 4.36Å; L315-P317 WeakPolarHBondContact O-CD 3.32Å; L315-R325 WeakPolarHBondContact O-CA 3.32Å; L315-T326 HydrophobicContact CB-CG2 3.68Å; L315-T326 HydrophobicContact CD2-CG2 3.83Å; L315-T326 HydrophobicContact CG-CG2 4.13Å; L315-T326 PolarHBondContact N-O 2.98Å; L315-T326 PolarHBondContact O-N 2.78Å; L315-Y328 HydrophobicContact CB-CD2 4.13Å; L315-Y328 HydrophobicContact CB-CG 4.44Å; L315-Y328 HydrophobicContact CD1-CD2 3.96Å; L315-Y328 HydrophobicContact CD1-CE2 4.42Å; L315-Y328 HydrophobicContact CG-CD2 4.48Å
316V89.4Confident86.9Confident4 Ų443.5 Ų43.52%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-105.686.3-178.6-172.90000109.1K308 L309 V314 L323 K324K308-V316 WeakPolarHBondContact CA-O 3.25Å; L309-V316 PolarHBondContact N-O 3.18Å; L309-V316 VanDerWaalsContact N-O 3.09Å; L309-V316 PolarHBondContact O-N 3.31Å; V314-V316 HydrophobicContact CG1-CG2 4.08Å; V316-L323 HydrophobicContact CG1-CB 4.06Å; V316-L323 HydrophobicContact CG1-CD1 4.32Å; V316-L323 HydrophobicContact CG1-CD2 4.03Å; V316-L323 HydrophobicContact CG1-CG 4.37Å; V316-K324 WeakPolarHBondContact CA-O 3.45Å
317P87.8Confident87Confident11 Ų1140.8 Ų40.87%0.07122%0.215CC..EExtended strand (participates in β ladder)trans-69.8133.5167.421.4-26.9000111.1R307 K308 L315 K324 F368R307-P317 CarbonylContact O-C 3.58Å; R307-P317 WeakPolarHBondContact O-CA 3.3Å; K308-P317 HydrophobicContact CG-CB 4.18Å; L315-P317 WeakPolarHBondContact O-CD 3.32Å; P317-K324 WeakPolarHBondContact CD-O 3.32Å; P317-K324 HydrophobicContact CG-CB 3.97Å; P317-K324 PolarHBondContact O-N 3.26Å; P317-F368 HydrophobicContact CG-CE2 4.28Å; P317-F368 HydrophobicContact CG-CZ 4.29Å
318R86.2Confident87.1Confident10 Ų1037.4 Ų37.44%0.03820%0.203CC..BIsolated β-bridgetrans-105.4123.8178-179.1173.47284-10.2110.7M1 Y4 E304 R307 L323M1-R318 PolarHBondContact O-NH1 3.09Å; M1-R318 HydrophobicContact SD-CG 4.35Å; Y4-R318 PolarHBondContact O-NH2 2.65Å; E304-R318 IonicContact OE1-CZ 2.73Å; E304-R318 IonicContact OE1-NE 3.25Å; E304-R318 PolarHBondContact OE1-NE 3.44Å; E304-R318 VanDerWaalsContact OE1-NE 3.09Å; E304-R318 IonicContact OE1-NH2 3.09Å; E304-R318 PolarHBondContact OE1-NH2 3.08Å; E304-R318 IonicContact OE2-NE 3.35Å; E304-R318 PolarHBondContact OE2-NE 3.23Å; R307-R318 HydrophobicContact CB-CB 4.25Å; R307-R318 PolarHBondContact O-N 2.92Å; R318-L323 HydrophobicContact CB-CD2 3.64Å; R318-L323 HydrophobicContact CG-CD2 3.65Å
319N82.6Confident87.1Confident67 Ų6734.9 Ų34.936%0.35819%0.19SC..  trans-92.4175.4167.7-63.9-13.8000109.8T321 S322N319-T321 PolarHBondContact O-N 3.18Å; N319-S322 WeakPolarHBondContact CB-O 3.49Å; N319-S322 PolarHBondContact N-O 3.37Å
320A76.5Confident86.9Confident54 Ų5441.4 Ų41.445%0.44622%0.219SC..SBendtrans-57.9-32.3-179.700000113.2M1M1-A320 WeakPolarHBondContact CB-O 3.01Å; M1-A320 PolarHBondContact N-O 3.14Å
321T77.4Confident86.8Confident119 Ų11946.7 Ų46.773%0.7325%0.25SS*.SBendtrans-116.6-22.1-172.854.20000114.3N319N319-T321 PolarHBondContact O-N 3.18Å
322S81.4Confident86.8Confident26 Ų2652.1 Ų52.118%0.18228%0.284CS..  trans-144.1150.5-169.768.60000113.1N319N319-S322 WeakPolarHBondContact CB-O 3.49Å; N319-S322 PolarHBondContact N-O 3.37Å
323L85.2Confident87Confident13 Ų1352.8 Ų52.87%0.06829%0.286CS..BIsolated β-bridgetrans-86.3139.1163-60.4176.4000109.5F274 I276 V316 R318F274-L323 HydrophobicContact CE1-CD1 4.29Å; F274-L323 HydrophobicContact CZ-CD1 3.95Å; I276-L323 HydrophobicContact CD1-CD1 4.16Å; V316-L323 HydrophobicContact CG1-CB 4.06Å; V316-L323 HydrophobicContact CG1-CD1 4.32Å; V316-L323 HydrophobicContact CG1-CD2 4.03Å; V316-L323 HydrophobicContact CG1-CG 4.37Å; R318-L323 HydrophobicContact CB-CD2 3.64Å; R318-L323 HydrophobicContact CG-CD2 3.65Å
324K87.6Confident87.2Confident44 Ų4453.2 Ų53.219%0.19129%0.294CS..  trans-119.2168.5174.5-63.7-73.4-179.8162.20109.4V316 P317 D365 E367 F368V316-K324 WeakPolarHBondContact CA-O 3.45Å; P317-K324 WeakPolarHBondContact CD-O 3.32Å; P317-K324 HydrophobicContact CG-CB 3.97Å; P317-K324 PolarHBondContact O-N 3.26Å; K324-D365 WeakPolarHBondContact CA-OD2 3.24Å; K324-D365 WeakPolarHBondContact CB-OD2 3.44Å; K324-D365 HydrophobicContact CD-CB 4.37Å; K324-D365 WeakPolarHBondContact CD-OD2 3.42Å; K324-E367 IonicContact NZ-OE1 2.7Å; K324-E367 PolarHBondContact NZ-OE1 3.3Å; K324-F368 HydrophobicContact CB-CD2 4.43Å; K324-F368 HydrophobicContact CB-CE2 3.76Å; K324-F368 HydrophobicContact CG-CE2 4.23Å
325R88.7Confident87.4Confident29 Ų2954.1 Ų54.111%0.10930%0.299CS..  trans-134.8138.6-175.3-59.9170.9-60.6132.28.9111.2V171 V314 L315 A362 I363 C364 D365V171-R325 HydrophobicContact CG2-CG 4.33Å; V314-R325 HydrophobicContact CG1-CB 4.16Å; V314-R325 HydrophobicContact CG1-CG 4.26Å; L315-R325 WeakPolarHBondContact O-CA 3.32Å; R325-A362 PolarHBondContact NH1-O 2.85Å; R325-A362 VanDerWaalsContact NH1-O 3.11Å; R325-I363 WeakPolarHBondContact CB-O 3.43Å; R325-I363 VanDerWaalsContact CZ-O 3.3Å; R325-I363 PolarHBondContact NH1-O 2.9Å; R325-C364 WeakPolarHBondContact O-CA 3.44Å; R325-D365 IonicContact CZ-OD1 3.61Å; R325-D365 PolarHBondContact N-OD2 3.13Å; R325-D365 IonicContact NE-OD1 3.64Å; R325-D365 PolarHBondContact NE-OD1 3.49Å; R325-D365 IonicContact NH2-OD1 3.66Å; R325-D365 PolarHBondContact NH2-OD1 3.5Å; R325-D365 PolarHBondContact O-N 3.34Å
326T91.7Very high87.5Confident23 Ų2362.6 Ų62.614%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-145.4162.9170.3-174.70000109.6L315 Y328 I363L315-T326 HydrophobicContact CB-CG2 3.68Å; L315-T326 HydrophobicContact CD2-CG2 3.83Å; L315-T326 HydrophobicContact CG-CG2 4.13Å; L315-T326 PolarHBondContact N-O 2.98Å; L315-T326 PolarHBondContact O-N 2.78Å; T326-Y328 PolarHBondContact O-N 3.2Å; T326-I363 WeakPolarHBondContact O-CG2 3.19Å
327V91.2Very high87.6Confident9 Ų965.2 Ų65.26%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-68122.9178.5176.90000109.6R329 R359 I363 D372V327-R329 HydrophobicContact CG1-CG 4.37Å; V327-R359 HydrophobicContact CG2-CG 4.39Å; V327-I363 HydrophobicContact CG2-CB 4.05Å; V327-I363 HydrophobicContact CG2-CD1 4.2Å; V327-I363 HydrophobicContact CG2-CG2 4.09Å; V327-D372 WeakPolarHBondContact CB-OD1 3.06Å; V327-D372 WeakPolarHBondContact CG2-OD2 3.24Å
328Y91.7Very high87.9Confident62 Ų6266.7 Ų66.724%0.24335%0.346CS..  trans-85.7135.3170.8-174.6-119.3000110.6P310 D313 V314 L315 T326 K330 R359P310-Y328 HydrophobicContact CB-CD1 3.77Å; P310-Y328 HydrophobicContact CB-CD2 3.95Å; P310-Y328 HydrophobicContact CB-CE1 3.57Å; P310-Y328 HydrophobicContact CB-CE2 3.76Å; P310-Y328 HydrophobicContact CB-CG 3.95Å; D313-Y328 PolarHBondContact O-N 2.89Å; V314-Y328 VanDerWaalsContact C-CB 3.5Å; L315-Y328 HydrophobicContact CB-CD2 4.13Å; L315-Y328 HydrophobicContact CB-CG 4.44Å; L315-Y328 HydrophobicContact CD1-CD2 3.96Å; L315-Y328 HydrophobicContact CD1-CE2 4.42Å; L315-Y328 HydrophobicContact CG-CD2 4.48Å; T326-Y328 PolarHBondContact O-N 3.2Å; Y328-K330 HydrophobicContact CD1-CG 4.46Å; Y328-K330 HydrophobicContact CE1-CG 3.73Å; Y328-R359 PolarHBondContact O-NH2 3.1Å
329R91.4Very high88.3Confident59 Ų5970.5 Ų70.522%0.22336%0.364CS..  trans-125.5121.1170-65173.7-178780.7106.7V327 H333 D372 H375V327-R329 HydrophobicContact CG1-CG 4.37Å; R329-H333 HydrophobicContact CB-CB 4.14Å; R329-D372 IonicContact CZ-OD1 3.1Å; R329-D372 IonicContact NH1-OD1 3.03Å; R329-D372 PolarHBondContact NH1-OD1 3.19Å; R329-D372 IonicContact NH2-OD1 3.73Å; R329-D372 PolarHBondContact NH2-OD1 3.04Å; R329-D372 IonicContact NH2-OD2 2.95Å; R329-D372 PolarHBondContact NH2-OD2 3.07Å; R329-H375 PolarHBondContact NE-CD2 3.03Å
330K88.5Confident88.9Confident136 Ų13669.6 Ų69.659%0.59136%0.357SS*.  trans-56.6152.1174.9-70.6-177179.3-176.50109.5Y328 T332 H333Y328-K330 HydrophobicContact CD1-CG 4.46Å; Y328-K330 HydrophobicContact CE1-CG 3.73Å; K330-T332 PolarHBondContact O-N 3.29Å; K330-T332 VanDerWaalsContact O-N 3.11Å; K330-H333 WeakPolarHBondContact O-CB 3.36Å; K330-H333 PolarHBondContact O-N 3.43Å
331T87.7Confident89.7Confident145 Ų14571.7 Ų71.789%0.8937%0.368SS*.THydrogen-bonded Turntrans-59-25.3176.950.20000112.9H333T331-H333 VanDerWaalsContact C-N 3.3Å
332T87.2Confident90.5Very high119 Ų11967.3 Ų67.373%0.7334%0.342SS*.THydrogen-bonded Turntrans-82.2-2.5174.954.90000114K330 S334K330-T332 PolarHBondContact O-N 3.29Å; K330-T332 VanDerWaalsContact O-N 3.11Å; T332-S334 PolarHBondContact O-N 2.96Å; T332-S334 VanDerWaalsContact O-N 3.16Å
333H89.3Confident91.1Very high67 Ų6775.5 Ų75.531%0.3138%0.377SS..  trans-69.5110.3179.7-173.8-91.4000110.5R329 K330 T331 D335R329-H333 HydrophobicContact CB-CB 4.14Å; K330-H333 WeakPolarHBondContact O-CB 3.36Å; K330-H333 PolarHBondContact O-N 3.43Å; T331-H333 VanDerWaalsContact C-N 3.3Å; H333-D335 VanDerWaalsContact C-N 3.31Å; H333-D335 IonicContact CE1-OD1 3.53Å; H333-D335 PolarHBondContact CE1-OD1 2.76Å; H333-D335 PolarHBondContact ND1-N 2.76Å; H333-D335 IonicContact ND1-OD1 2.82Å; H333-D335 PolarHBondContact ND1-OD1 2.86Å; H333-D335 PolarHBondContact O-N 3.28Å
334S90.7Very high91.4Very high81 Ų8179.6 Ų79.657%0.56640%0.396SS*.  trans-84.92.2-174.559.40000114.7T332 R336T332-S334 PolarHBondContact O-N 2.96Å; T332-S334 VanDerWaalsContact O-N 3.16Å; S334-R336 PolarHBondContact O-N 3.14Å; S334-R336 WeakPolarHBondContact OG-CG 3.36Å
335D92.1Very high91.7Very high27 Ų2780.4 Ų80.414%0.14441%0.407CS..  trans54.322-171.8-76.5-35.4000113.6H333 Y337 H375 T379 N383H333-D335 VanDerWaalsContact C-N 3.31Å; H333-D335 IonicContact CE1-OD1 3.53Å; H333-D335 PolarHBondContact CE1-OD1 2.76Å; H333-D335 PolarHBondContact ND1-N 2.76Å; H333-D335 IonicContact ND1-OD1 2.82Å; H333-D335 PolarHBondContact ND1-OD1 2.86Å; H333-D335 PolarHBondContact O-N 3.28Å; D335-Y337 WeakPolarHBondContact O-CD2 3.31Å; D335-H375 IonicContact OD1-CE1 3.91Å; D335-H375 IonicContact OD1-NE2 3.82Å; D335-H375 PolarHBondContact OD1-NE2 2.86Å; D335-H375 IonicContact OD2-CE1 2.7Å; D335-H375 PolarHBondContact OD2-CE1 2.96Å; D335-H375 IonicContact OD2-NE2 3.91Å; D335-H375 PolarHBondContact OD2-NE2 3.11Å; D335-T379 HydrophobicContact CB-CG2 3.76Å; D335-T379 WeakPolarHBondContact O-CG2 3.37Å; D335-N383 PolarHBondContact O-ND2 3.06Å
336R92.3Very high91.9Very high209 Ų20983 Ų8379%0.78942%0.421SS*.  trans-86.4118.7176.8-69.3-177178.1-177.10.3110.2S334S334-R336 PolarHBondContact O-N 3.14Å; S334-R336 WeakPolarHBondContact OG-CG 3.36Å
337Y92.4Very high92Very high59 Ų5986 Ų8623%0.23144%0.443CS..  trans-115.3-178.4171.5-65.4-88.3000109D335 H339 I352 L356 T379 N383D335-Y337 WeakPolarHBondContact O-CD2 3.31Å; Y337-H339 PolarHBondContact O-N 2.75Å; Y337-I352 HydrophobicContact CD1-CG2 3.95Å; Y337-I352 HydrophobicContact CG-CG2 4.25Å; Y337-L356 HydrophobicContact CE1-CD1 4.3Å; Y337-L356 HydrophobicContact CE1-CD2 3.68Å; Y337-L356 HydrophobicContact CE1-CG 4.36Å; Y337-L356 HydrophobicContact CE2-CD1 4.42Å; Y337-L356 WeakPolarHBondContact OH-CD2 3.38Å; Y337-T379 HydrophobicContact CD2-CG2 3.56Å; Y337-T379 HydrophobicContact CE2-CG2 3.36Å; Y337-N383 PolarHBondContact N-OD1 3.45Å; Y337-N383 PolarHBondContact O-OD1 3.42Å
338L93.4Very high92Very high43 Ų4388.3 Ų88.323%0.22546%0.457CS..  trans-58.5114.4173.8-17870.6000110.3S342 H344 V348 K349 I352 Y385L338-S342 VanDerWaalsContact CD1-OG 3.3Å; L338-S342 WeakPolarHBondContact CD1-OG 3.36Å; L338-S342 WeakPolarHBondContact CG-OG 3.33Å; L338-H344 VanDerWaalsContact CD1-CE1 3.49Å; L338-H344 WeakPolarHBondContact CD1-CE1 3.4Å; L338-H344 HydrophobicContact CD2-CB 3.71Å; L338-V348 HydrophobicContact CD2-CG1 3.89Å; L338-K349 HydrophobicContact CD2-CG 4.23Å; L338-I352 HydrophobicContact CB-CD1 3.35Å; L338-I352 HydrophobicContact CD2-CD1 4Å; L338-I352 HydrophobicContact CG-CD1 4.31Å; L338-Y385 WeakPolarHBondContact O-CE2 3.32Å; L338-Y385 PolarHBondContact O-OH 2.92Å
339H95.6Very high92.1Very high90 Ų9086.1 Ų86.142%0.41745%0.449SS..  trans-60.3143178.9-169-96.1000111.5Y337 S341 S342 N383Y337-H339 PolarHBondContact O-N 2.75Å; H339-S341 VanDerWaalsContact C-N 3.27Å; H339-S341 PolarHBondContact CE1-OG 2.87Å; H339-S341 PolarHBondContact ND1-N 2.97Å; H339-S341 PolarHBondContact ND1-OG 3.39Å; H339-S341 PolarHBondContact O-N 2.79Å; H339-S342 WeakPolarHBondContact O-CB 3.49Å; H339-S342 PolarHBondContact O-N 3.32Å; H339-S342 PolarHBondContact O-OG 2.81Å; H339-N383 WeakPolarHBondContact CA-O 3.44Å; H339-N383 PolarHBondContact CD2-O 3.47Å
340F94Very high92.1Very high48 Ų4888.4 Ų88.421%0.21146%0.458CS..THydrogen-bonded Turntrans-62.4-30.7-174-174.5-102000113.8S342 M346 K349 N383 G384 Y385 P386 I389F340-S342 PolarHBondContact O-N 2.96Å; F340-M346 HydrophobicContact CE2-CE 4.07Å; F340-M346 HydrophobicContact CE2-SD 4.46Å; F340-M346 HydrophobicContact CZ-CE 4.37Å; F340-K349 HydrophobicContact CD2-CD 3.97Å; F340-K349 HydrophobicContact CE2-CD 4.08Å; F340-K349 VanDerWaalsContact O-CE 3.27Å; F340-K349 WeakPolarHBondContact O-CE 3.45Å; F340-K349 PolarHBondContact O-NZ 2.89Å; F340-N383 PolarHBondContact N-O 3.39Å; F340-G384 VanDerWaalsContact CB-C 3.48Å; F340-G384 WeakPolarHBondContact CB-O 3.29Å; F340-Y385 HydrophobicContact CB-CD2 4.19Å; F340-Y385 HydrophobicContact CB-CE2 4.43Å; F340-Y385 HydrophobicContact CB-CG 4.39Å; F340-Y385 AromaticContact CD2-CD1 3.96Å; F340-Y385 HydrophobicContact CD2-CD1 3.96Å; F340-Y385 HydrophobicContact CD2-CE1 4.21Å; F340-Y385 HydrophobicContact CD2-CG 4.2Å; F340-P386 HydrophobicContact CD1-CG 4.02Å; F340-P386 HydrophobicContact CE1-CG 3.62Å; F340-P386 HydrophobicContact CE2-CG 4.17Å; F340-P386 HydrophobicContact CG-CG 4.46Å; F340-P386 HydrophobicContact CZ-CG 3.71Å; F340-I389 HydrophobicContact CE2-CD1 3.51Å; F340-I389 HydrophobicContact CZ-CD1 3.53Å
341S94Very high92.4Very high98 Ų9883.1 Ų83.169%0.68544%0.442SS*.THydrogen-bonded Turntrans-73.8-5.517767.60000114.5H339H339-S341 VanDerWaalsContact C-N 3.27Å; H339-S341 PolarHBondContact CE1-OG 2.87Å; H339-S341 PolarHBondContact ND1-N 2.97Å; H339-S341 PolarHBondContact ND1-OG 3.39Å; H339-S341 PolarHBondContact O-N 2.79Å
342S93.8Very high92.7Very high26 Ų2677.9 Ų77.918%0.18241%0.408CS..SBendtrans-63.5150.3178.665.60000112.3L338 H339 F340 H344 K349L338-S342 VanDerWaalsContact CD1-OG 3.3Å; L338-S342 WeakPolarHBondContact CD1-OG 3.36Å; L338-S342 WeakPolarHBondContact CG-OG 3.33Å; H339-S342 WeakPolarHBondContact O-CB 3.49Å; H339-S342 PolarHBondContact O-N 3.32Å; H339-S342 PolarHBondContact O-OG 2.81Å; F340-S342 PolarHBondContact O-N 2.96Å; S342-H344 WeakPolarHBondContact CB-ND1 3.36Å; S342-H344 PolarHBondContact O-N 2.96Å; S342-H344 PolarHBondContact OG-ND1 3.04Å; S342-K349 VanDerWaalsContact O-CE 3.29Å; S342-K349 WeakPolarHBondContact O-CE 3.36Å; S342-K349 PolarHBondContact O-NZ 3.49Å
343H93.8Very high93Very high198 Ų19872.2 Ų72.292%0.91737%0.373SS*.SBendtrans-80.352.8-179.7-155.387.5000112.4
344H92.9Very high93.2Very high99 Ų9970.2 Ų70.246%0.45837%0.366SS..  trans-112.6153.2175.1-64.568.5000110.1L338 S342 V348 K349L338-H344 VanDerWaalsContact CD1-CE1 3.49Å; L338-H344 WeakPolarHBondContact CD1-CE1 3.4Å; L338-H344 HydrophobicContact CD2-CB 3.71Å; S342-H344 WeakPolarHBondContact CB-ND1 3.36Å; S342-H344 PolarHBondContact O-N 2.96Å; S342-H344 PolarHBondContact OG-ND1 3.04Å; H344-V348 HydrophobicContact CB-CB 4.37Å; H344-V348 HydrophobicContact CB-CG1 4.4Å; H344-K349 VanDerWaalsContact O-CE 3.3Å; H344-K349 WeakPolarHBondContact O-CE 3.39Å; H344-K349 PolarHBondContact O-NZ 3.48Å
345S94Very high93.3Very high62 Ų6267 Ų6743%0.43435%0.346SS..  trans-58.9154.1177.967.80000111.9S347 V348 K349S345-S347 PolarHBondContact O-N 3.18Å; S345-S347 PolarHBondContact OG-OG 3.42Å; S345-V348 PolarHBondContact O-N 3.14Å; S345-V348 WeakPolarHBondContact OG-CG2 3.37Å; S345-V348 PolarHBondContact OG-N 3.11Å; S345-K349 PolarHBondContact O-N 3.27Å
346M91.9Very high93.4Very high83 Ų8366.4 Ų66.441%0.40934%0.342SS..Hα-helixtrans-62.4-24.7174.8-70.3-52.9-58.500112.7F340 K349 R350 I389F340-M346 HydrophobicContact CE2-CE 4.07Å; F340-M346 HydrophobicContact CE2-SD 4.46Å; F340-M346 HydrophobicContact CZ-CE 4.37Å; M346-K349 HydrophobicContact SD-CD 4.13Å; M346-R350 WeakPolarHBondContact O-CB 3.3Å; M346-R350 VanDerWaalsContact O-CG 3.29Å; M346-R350 WeakPolarHBondContact O-CG 3.17Å; M346-R350 PolarHBondContact O-N 3.28Å; M346-I389 HydrophobicContact CE-CD1 3.82Å
347S93.1Very high93.4Very high86 Ų8656.4 Ų56.460%0.60131%0.305SS*.Hα-helixtrans-65.7-44.4174.955.90000111.7S345 R350 G351S345-S347 PolarHBondContact O-N 3.18Å; S345-S347 PolarHBondContact OG-OG 3.42Å; S347-R350 PolarHBondContact O-N 3.02Å; S347-G351 PolarHBondContact O-N 3.41Å
348V93.1Very high93.4Very high57 Ų5755 Ų5535%0.34530%0.301SS..Hα-helixtrans-62.5-48.1177173.50000110.7L338 H344 S345 R350 G351 I352L338-V348 HydrophobicContact CD2-CG1 3.89Å; H344-V348 HydrophobicContact CB-CB 4.37Å; H344-V348 HydrophobicContact CB-CG1 4.4Å; S345-V348 PolarHBondContact O-N 3.14Å; S345-V348 WeakPolarHBondContact OG-CG2 3.37Å; S345-V348 PolarHBondContact OG-N 3.11Å; V348-R350 PolarHBondContact O-N 2.82Å; V348-G351 CarbonylContact O-C 3.59Å; V348-G351 WeakPolarHBondContact O-CA 3.46Å; V348-G351 PolarHBondContact O-N 3.35Å; V348-I352 PolarHBondContact O-N 3.05Å
349K92.1Very high93.3Very high17 Ų1754.6 Ų54.67%0.07430%0.297CS..Hα-helixtrans-60-44.8179.2-66.6176.5-172.6173.70112L338 F340 S342 H344 S345 M346 G351 I352 V353 Y385L338-K349 HydrophobicContact CD2-CG 4.23Å; F340-K349 HydrophobicContact CD2-CD 3.97Å; F340-K349 HydrophobicContact CE2-CD 4.08Å; F340-K349 VanDerWaalsContact O-CE 3.27Å; F340-K349 WeakPolarHBondContact O-CE 3.45Å; F340-K349 PolarHBondContact O-NZ 2.89Å; S342-K349 VanDerWaalsContact O-CE 3.29Å; S342-K349 WeakPolarHBondContact O-CE 3.36Å; S342-K349 PolarHBondContact O-NZ 3.49Å; H344-K349 VanDerWaalsContact O-CE 3.3Å; H344-K349 WeakPolarHBondContact O-CE 3.39Å; H344-K349 PolarHBondContact O-NZ 3.48Å; S345-K349 PolarHBondContact O-N 3.27Å; M346-K349 HydrophobicContact SD-CD 4.13Å; K349-G351 VanDerWaalsContact C-N 3.32Å; K349-I352 PolarHBondContact O-N 3.34Å; K349-V353 PolarHBondContact O-N 2.72Å; K349-Y385 HydrophobicContact CB-CE1 3.91Å
350R93.2Very high93.1Very high106 Ų10650.3 Ų50.340%0.428%0.277SS..Hα-helixtrans-67.6-32.5173.8-72.2178.4-180-163.5-1.1112.3M346 S347 V348 I352 V353 T354 I389M346-R350 WeakPolarHBondContact O-CB 3.3Å; M346-R350 VanDerWaalsContact O-CG 3.29Å; M346-R350 WeakPolarHBondContact O-CG 3.17Å; M346-R350 PolarHBondContact O-N 3.28Å; S347-R350 PolarHBondContact O-N 3.02Å; V348-R350 PolarHBondContact O-N 2.82Å; R350-I352 VanDerWaalsContact C-N 3.29Å; R350-I352 PolarHBondContact O-N 3.21Å; R350-V353 PolarHBondContact O-N 3.14Å; R350-T354 WeakPolarHBondContact O-CB 3.48Å; R350-T354 PolarHBondContact O-N 3.3Å; R350-T354 PolarHBondContact O-OG1 2.8Å; R350-I389 HydrophobicContact CG-CG2 4.3Å
351G93.6Very high92.9Very high25 Ų2551.6 Ų51.626%0.25829%0.285SS..Hα-helixtrans-65.3-30.2176.500000113.3K185 S347 V348 K349 G355K185-G351 PolarHBondContact NZ-O 3.28Å; S347-G351 PolarHBondContact O-N 3.41Å; V348-G351 CarbonylContact O-C 3.59Å; V348-G351 WeakPolarHBondContact O-CA 3.46Å; V348-G351 PolarHBondContact O-N 3.35Å; K349-G351 VanDerWaalsContact C-N 3.32Å; G351-G355 PolarHBondContact O-N 3Å
352I93.6Very high92.5Very high35 Ų3548.1 Ų48.118%0.17926%0.262CS..Hα-helixtrans-66.8-52.9171.3-68.3168000110.2Y337 L338 V348 K349 R350 T354 G355 L356Y337-I352 HydrophobicContact CD1-CG2 3.95Å; Y337-I352 HydrophobicContact CG-CG2 4.25Å; L338-I352 HydrophobicContact CB-CD1 3.35Å; L338-I352 HydrophobicContact CD2-CD1 4Å; L338-I352 HydrophobicContact CG-CD1 4.31Å; V348-I352 PolarHBondContact O-N 3.05Å; K349-I352 PolarHBondContact O-N 3.34Å; R350-I352 VanDerWaalsContact C-N 3.29Å; R350-I352 PolarHBondContact O-N 3.21Å; I352-T354 VanDerWaalsContact C-N 3.29Å; I352-T354 PolarHBondContact O-N 3.15Å; I352-G355 PolarHBondContact O-N 3.43Å; I352-G355 VanDerWaalsContact O-N 3.14Å; I352-L356 HydrophobicContact CG2-CD1 4.32Å; I352-L356 WeakPolarHBondContact O-CG 3.47Å; I352-L356 PolarHBondContact O-N 2.7Å
353V94Very high92.3Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-56.4-46.9177.4-176.90000110.7K349 R350 G355 L356 V357 L380 Y385 F390 T393 I394K349-V353 PolarHBondContact O-N 2.72Å; R350-V353 PolarHBondContact O-N 3.14Å; V353-G355 PolarHBondContact O-N 3.41Å; V353-L356 PolarHBondContact O-N 3.17Å; V353-V357 WeakPolarHBondContact O-CG2 3.47Å; V353-V357 PolarHBondContact O-N 2.96Å; V353-V357 VanDerWaalsContact O-N 3.14Å; V353-L380 HydrophobicContact CB-CD1 4.31Å; V353-L380 HydrophobicContact CG1-CD1 3.89Å; V353-L380 HydrophobicContact CG2-CD1 3.85Å; V353-L380 HydrophobicContact CG2-CD2 3.94Å; V353-Y385 HydrophobicContact CG2-CD1 4.08Å; V353-Y385 HydrophobicContact CG2-CE1 4.09Å; V353-F390 HydrophobicContact CG1-CB 4.03Å; V353-F390 HydrophobicContact CG2-CB 4.16Å; V353-T393 HydrophobicContact CB-CG2 4.03Å; V353-T393 HydrophobicContact CG1-CG2 3.75Å; V353-I394 HydrophobicContact CG1-CG1 4.07Å
354T93.9Very high92.1Very high26 Ų2638 Ų3816%0.1621%0.213CC..Hα-helixtrans-61-45.8178.1-56.10000111R350 I352 L356 V357 D358 T393 R397R350-T354 WeakPolarHBondContact O-CB 3.48Å; R350-T354 PolarHBondContact O-N 3.3Å; R350-T354 PolarHBondContact O-OG1 2.8Å; I352-T354 VanDerWaalsContact C-N 3.29Å; I352-T354 PolarHBondContact O-N 3.15Å; T354-L356 VanDerWaalsContact C-N 3.33Å; T354-L356 PolarHBondContact O-N 3.08Å; T354-V357 PolarHBondContact O-N 3.39Å; T354-D358 WeakPolarHBondContact CG2-OD2 3.34Å; T354-D358 VanDerWaalsContact O-CB 3.3Å; T354-D358 WeakPolarHBondContact O-CB 3.39Å; T354-D358 PolarHBondContact O-N 2.95Å; T354-T393 WeakPolarHBondContact OG1-CG2 3.41Å; T354-R397 HydrophobicContact CG2-CG 4.34Å
355G92.6Very high91.8Very high14 Ų1434.1 Ų34.114%0.14420%0.196CC..Hα-helixtrans-61.2-37.8178.500000113.8G351 I352 V353 R359G351-G355 PolarHBondContact O-N 3Å; I352-G355 PolarHBondContact O-N 3.43Å; I352-G355 VanDerWaalsContact O-N 3.14Å; V353-G355 PolarHBondContact O-N 3.41Å; G355-R359 WeakPolarHBondContact O-CB 3.4Å; G355-R359 PolarHBondContact O-N 3.41Å
356L93.4Very high91.6Very high13 Ų1336.3 Ų36.37%0.06821%0.208CC..Hα-helixtrans-67.1-45.7176.7-69.3176.2000112Y337 I352 V353 T354 R359 A360 I376 L380Y337-L356 HydrophobicContact CE1-CD1 4.3Å; Y337-L356 HydrophobicContact CE1-CD2 3.68Å; Y337-L356 HydrophobicContact CE1-CG 4.36Å; Y337-L356 HydrophobicContact CE2-CD1 4.42Å; Y337-L356 WeakPolarHBondContact OH-CD2 3.38Å; I352-L356 HydrophobicContact CG2-CD1 4.32Å; I352-L356 WeakPolarHBondContact O-CG 3.47Å; I352-L356 PolarHBondContact O-N 2.7Å; V353-L356 PolarHBondContact O-N 3.17Å; T354-L356 VanDerWaalsContact C-N 3.33Å; T354-L356 PolarHBondContact O-N 3.08Å; L356-R359 PolarHBondContact O-N 2.92Å; L356-A360 PolarHBondContact O-N 3.49Å; L356-I376 HydrophobicContact CB-CD1 4.03Å; L356-I376 HydrophobicContact CB-CG1 4.09Å; L356-I376 HydrophobicContact CB-CG2 4.13Å; L356-I376 HydrophobicContact CD1-CG2 4.3Å; L356-I376 WeakPolarHBondContact O-CD1 3.42Å; L356-L380 HydrophobicContact CD1-CD2 4.17Å; L356-L380 HydrophobicContact CD1-CG 4.44Å
357V93.1Very high91.5Very high0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-66.4-44.9178.9177.70000110.9V353 T354 R359 A360 I361 L373 I376 I394 R397 L398V353-V357 WeakPolarHBondContact O-CG2 3.47Å; V353-V357 PolarHBondContact O-N 2.96Å; V353-V357 VanDerWaalsContact O-N 3.14Å; T354-V357 PolarHBondContact O-N 3.39Å; V357-R359 VanDerWaalsContact C-N 3.29Å; V357-R359 PolarHBondContact O-N 3.49Å; V357-A360 WeakPolarHBondContact O-CB 3.14Å; V357-A360 PolarHBondContact O-N 2.57Å; V357-I361 HydrophobicContact CG1-CD1 3.64Å; V357-I361 HydrophobicContact CG1-CG1 4.34Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.31Å; V357-I361 PolarHBondContact O-N 3.15Å; V357-L373 HydrophobicContact CG1-CD2 4.41Å; V357-I376 HydrophobicContact CG2-CD1 4.25Å; V357-I376 HydrophobicContact CG2-CG2 4.5Å; V357-I394 HydrophobicContact CG2-CB 4.36Å; V357-I394 HydrophobicContact CG2-CG1 3.68Å; V357-I394 HydrophobicContact CG2-CG2 4.44Å; V357-R397 HydrophobicContact CB-CB 4.48Å; V357-R397 HydrophobicContact CG1-CB 3.74Å; V357-R397 HydrophobicContact CG1-CG 4.45Å; V357-L398 HydrophobicContact CG1-CD2 4.44Å
358D91.4Very high91.4Very high28 Ų2836.9 Ų36.915%0.1520%0.2CC..Hα-helixtrans-61.4-41177.8-67-10.8000111.4H181 T354 I361 A362 R397H181-D358 IonicContact NE2-OD2 2.82Å; T354-D358 WeakPolarHBondContact CG2-OD2 3.34Å; T354-D358 VanDerWaalsContact O-CB 3.3Å; T354-D358 WeakPolarHBondContact O-CB 3.39Å; T354-D358 PolarHBondContact O-N 2.95Å; D358-I361 PolarHBondContact O-N 3.07Å; D358-A362 WeakPolarHBondContact O-CB 3.48Å; D358-A362 PolarHBondContact O-N 3.36Å; D358-R397 IonicContact OD1-CZ 3.39Å; D358-R397 IonicContact OD1-NE 3.68Å; D358-R397 PolarHBondContact OD1-NE 2.75Å; D358-R397 IonicContact OD1-NH2 3.75Å; D358-R397 PolarHBondContact OD1-NH2 2.82Å; D358-R397 IonicContact OD2-CZ 2.74Å; D358-R397 IonicContact OD2-NE 2.75Å; D358-R397 IonicContact OD2-NH2 3.17Å; D358-R397 PolarHBondContact OD2-NH2 2.99Å
359R91.5Very high91.4Very high36 Ų3636 Ų3614%0.13619%0.193CC..Hα-helixtrans-59.7-47.5174.5177.6-177.2174.6175.43.9111L178 D313 V327 Y328 G355 L356 V357 A362 I363L178-R359 HydrophobicContact CD2-CB 4.5Å; L178-R359 HydrophobicContact CD2-CG 4.48Å; D313-R359 VanDerWaalsContact CB-NH2 3.25Å; D313-R359 PolarHBondContact O-NH2 3.16Å; D313-R359 IonicContact OD1-CZ 2.81Å; D313-R359 IonicContact OD1-NH1 3.85Å; D313-R359 IonicContact OD1-NH2 2.79Å; D313-R359 PolarHBondContact OD1-NH2 3.36Å; D313-R359 IonicContact OD2-CZ 3.19Å; D313-R359 IonicContact OD2-NH2 2.97Å; V327-R359 HydrophobicContact CG2-CG 4.39Å; Y328-R359 PolarHBondContact O-NH2 3.1Å; G355-R359 WeakPolarHBondContact O-CB 3.4Å; G355-R359 PolarHBondContact O-N 3.41Å; L356-R359 PolarHBondContact O-N 2.92Å; V357-R359 VanDerWaalsContact C-N 3.29Å; V357-R359 PolarHBondContact O-N 3.49Å; R359-A362 PolarHBondContact O-N 2.78Å; R359-I363 HydrophobicContact CG-CD1 3.56Å; R359-I363 HydrophobicContact CG-CG1 4.39Å; R359-I363 WeakPolarHBondContact O-CB 3.36Å; R359-I363 WeakPolarHBondContact O-CG1 3.46Å; R359-I363 PolarHBondContact O-N 3.49Å
360A91.7Very high91.4Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-60.2-48.1178.800000111.6L356 V357 A362 C364 L369 D372 L373 I376L356-A360 PolarHBondContact O-N 3.49Å; V357-A360 WeakPolarHBondContact O-CB 3.14Å; V357-A360 PolarHBondContact O-N 2.57Å; A360-A362 PolarHBondContact O-N 3.14Å; A360-C364 VanDerWaalsContact O-CB 3.24Å; A360-C364 WeakPolarHBondContact O-CB 3.22Å; A360-C364 PolarHBondContact O-N 3.05Å; A360-L369 HydrophobicContact CB-CD1 4.08Å; A360-L369 WeakPolarHBondContact O-CD1 3.42Å; A360-D372 HydrophobicContact CB-CB 4.25Å; A360-D372 WeakPolarHBondContact CB-OD2 3.13Å; A360-L373 HydrophobicContact CB-CD2 4.14Å; A360-I376 HydrophobicContact CB-CD1 4.04Å
361I90.5Very high91.4Very high75 Ų7539 Ų3939%0.38522%0.222SC..Hα-helixtrans-64.5-40.5-179.6-65.2167.4000111.5V357 D358 L369 L398V357-I361 HydrophobicContact CG1-CD1 3.64Å; V357-I361 HydrophobicContact CG1-CG1 4.34Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.31Å; V357-I361 PolarHBondContact O-N 3.15Å; D358-I361 PolarHBondContact O-N 3.07Å; I361-L369 HydrophobicContact CG1-CD1 4.35Å; I361-L398 HydrophobicContact CD1-CD2 3.91Å; I361-L398 HydrophobicContact CG1-CD2 4.31Å
362A85.9Confident91.3Very high25 Ų2538 Ų3821%0.20721%0.211CC..Hα-helixtrans-73.1-38.1-178.300000112.8H174 L178 R325 D358 R359 A360H174-A362 PolarHBondContact CD2-O 3.21Å; H174-A362 VanDerWaalsContact CD2-O 3.31Å; L178-A362 HydrophobicContact CD2-CB 4.33Å; R325-A362 PolarHBondContact NH1-O 2.85Å; R325-A362 VanDerWaalsContact NH1-O 3.11Å; D358-A362 WeakPolarHBondContact O-CB 3.48Å; D358-A362 PolarHBondContact O-N 3.36Å; R359-A362 PolarHBondContact O-N 2.78Å; A360-A362 PolarHBondContact O-N 3.14Å
363I88.2Confident91.3Very high2 Ų237.7 Ų37.71%0.0121%0.21CC..Hα-helixtrans-87.2-50.5-173.9-65.5177.2000111.6L178 D313 V314 R325 T326 V327 R359L178-I363 HydrophobicContact CD1-CD1 3.71Å; L178-I363 HydrophobicContact CD1-CG1 3.58Å; D313-I363 HydrophobicContact CB-CD1 4.4Å; V314-I363 HydrophobicContact CB-CG2 4.33Å; V314-I363 HydrophobicContact CG1-CG2 4Å; V314-I363 HydrophobicContact CG2-CD1 4.08Å; V314-I363 HydrophobicContact CG2-CG1 4.18Å; V314-I363 HydrophobicContact CG2-CG2 3.9Å; R325-I363 WeakPolarHBondContact CB-O 3.43Å; R325-I363 VanDerWaalsContact CZ-O 3.3Å; R325-I363 PolarHBondContact NH1-O 2.9Å; T326-I363 WeakPolarHBondContact O-CG2 3.19Å; V327-I363 HydrophobicContact CG2-CB 4.05Å; V327-I363 HydrophobicContact CG2-CD1 4.2Å; V327-I363 HydrophobicContact CG2-CG2 4.09Å; R359-I363 HydrophobicContact CG-CD1 3.56Å; R359-I363 HydrophobicContact CG-CG1 4.39Å; R359-I363 WeakPolarHBondContact O-CB 3.36Å; R359-I363 WeakPolarHBondContact O-CG1 3.46Å; R359-I363 PolarHBondContact O-N 3.49Å
364C89.6Confident91.2Very high8 Ų843.3 Ų43.35%0.05424%0.239CC..  trans-73.4137-167.6-68.90000111.9R325 A360 F368 L369R325-C364 WeakPolarHBondContact O-CA 3.44Å; A360-C364 VanDerWaalsContact O-CB 3.24Å; A360-C364 WeakPolarHBondContact O-CB 3.22Å; A360-C364 PolarHBondContact O-N 3.05Å; C364-F368 HydrophobicContact CB-CB 4.41Å; C364-L369 HydrophobicContact CB-CB 4.05Å; C364-L369 HydrophobicContact CB-CD1 4.14Å
365D88.6Confident91.2Very high18 Ų1844.3 Ų44.310%0.09624%0.242CC..  trans-69.4157.1159.5-65.9-40.1000110.1K324 R325 E367 F368 L369K324-D365 WeakPolarHBondContact CA-OD2 3.24Å; K324-D365 WeakPolarHBondContact CB-OD2 3.44Å; K324-D365 HydrophobicContact CD-CB 4.37Å; K324-D365 WeakPolarHBondContact CD-OD2 3.42Å; R325-D365 IonicContact CZ-OD1 3.61Å; R325-D365 PolarHBondContact N-OD2 3.13Å; R325-D365 IonicContact NE-OD1 3.64Å; R325-D365 PolarHBondContact NE-OD1 3.49Å; R325-D365 IonicContact NH2-OD1 3.66Å; R325-D365 PolarHBondContact NH2-OD1 3.5Å; R325-D365 PolarHBondContact O-N 3.34Å; D365-E367 PolarHBondContact O-N 2.89Å; D365-F368 HydrophobicContact CB-CD2 4.46Å; D365-F368 PolarHBondContact O-N 2.96Å; D365-L369 PolarHBondContact O-N 3.38Å; D365-L369 VanDerWaalsContact O-N 3.1Å
366P89.6Confident91.3Very high108 Ų10843.8 Ų43.870%0.70124%0.236SC*.Hα-helixtrans-52.1-33.5-173.4-29.935.9000114.6F368P366-F368 VanDerWaalsContact C-N 3.32Å; P366-F368 PolarHBondContact O-N 2.89Å
367E89.6Confident91.4Very high119 Ų11944.9 Ų44.956%0.55624%0.243SC*.Hα-helixtrans-66.2-30.4178.4-63.7163.9-136.700113.2K324 D365K324-E367 IonicContact NZ-OE1 2.7Å; K324-E367 PolarHBondContact NZ-OE1 3.3Å; D365-E367 PolarHBondContact O-N 2.89Å
368F90.5Very high91.4Very high63 Ų6349.9 Ų49.928%0.27627%0.268SS..Hα-helixtrans-105.8-4.2-176.6-61-71.3000113.5P317 K324 C364 D365 P366 P371P317-F368 HydrophobicContact CG-CE2 4.28Å; P317-F368 HydrophobicContact CG-CZ 4.29Å; K324-F368 HydrophobicContact CB-CD2 4.43Å; K324-F368 HydrophobicContact CB-CE2 3.76Å; K324-F368 HydrophobicContact CG-CE2 4.23Å; C364-F368 HydrophobicContact CB-CB 4.41Å; D365-F368 HydrophobicContact CB-CD2 4.46Å; D365-F368 PolarHBondContact O-N 2.96Å; P366-F368 VanDerWaalsContact C-N 3.32Å; P366-F368 PolarHBondContact O-N 2.89Å; F368-P371 WeakPolarHBondContact O-CD 3.33Å
369L92.2Very high91.6Very high37 Ų3748.7 Ų48.719%0.19426%0.262CS..Hα-helixtrans-66.9-44.9-178.1-179.361000112A360 I361 C364 D365 D372 L373A360-L369 HydrophobicContact CB-CD1 4.08Å; A360-L369 WeakPolarHBondContact O-CD1 3.42Å; I361-L369 HydrophobicContact CG1-CD1 4.35Å; C364-L369 HydrophobicContact CB-CB 4.05Å; C364-L369 HydrophobicContact CB-CD1 4.14Å; D365-L369 PolarHBondContact O-N 3.38Å; D365-L369 VanDerWaalsContact O-N 3.1Å; L369-D372 PolarHBondContact O-N 3.17Å; L369-D372 VanDerWaalsContact O-N 3.15Å; L369-L373 HydrophobicContact CD1-CD1 4.02Å; L369-L373 HydrophobicContact CD1-CD2 4.34Å; L369-L373 HydrophobicContact CD1-CG 3.9Å; L369-L373 HydrophobicContact CD2-CD1 4.22Å; L369-L373 HydrophobicContact CG-CD1 3.73Å; L369-L373 HydrophobicContact CG-CG 4.05Å; L369-L373 WeakPolarHBondContact O-CG 3.33Å; L369-L373 PolarHBondContact O-N 3.19Å
370N92.9Very high91.8Very high106 Ų10647 Ų4757%0.56726%0.255SS*.Hα-helixtrans-61.1-47.4-176.3-72.1-29.8000113.5D372 L373 L374N370-D372 PolarHBondContact O-N 2.99Å; N370-L373 PolarHBondContact O-N 2.97Å; N370-L374 WeakPolarHBondContact O-CG 3.38Å; N370-L374 PolarHBondContact O-N 2.83Å
371P93Very high91.9Very high80 Ų8050.9 Ų50.952%0.51927%0.273SS..Hα-helixtrans-54.6-40.4173.1-27.434.2000113.4F368 L374 H375F368-P371 WeakPolarHBondContact O-CD 3.33Å; P371-L374 PolarHBondContact O-N 3.34Å; P371-H375 PolarHBondContact O-N 3.25Å; P371-H375 VanDerWaalsContact O-N 3.08Å
372D91.6Very high92.1Very high6 Ų655 Ų553%0.03229%0.289CS..Hα-helixtrans-70.9-41.4-179.9-152.270.1000112V327 R329 A360 L369 N370 L374 H375 I376V327-D372 WeakPolarHBondContact CB-OD1 3.06Å; V327-D372 WeakPolarHBondContact CG2-OD2 3.24Å; R329-D372 IonicContact CZ-OD1 3.1Å; R329-D372 IonicContact NH1-OD1 3.03Å; R329-D372 PolarHBondContact NH1-OD1 3.19Å; R329-D372 IonicContact NH2-OD1 3.73Å; R329-D372 PolarHBondContact NH2-OD1 3.04Å; R329-D372 IonicContact NH2-OD2 2.95Å; R329-D372 PolarHBondContact NH2-OD2 3.07Å; A360-D372 HydrophobicContact CB-CB 4.25Å; A360-D372 WeakPolarHBondContact CB-OD2 3.13Å; L369-D372 PolarHBondContact O-N 3.17Å; L369-D372 VanDerWaalsContact O-N 3.15Å; N370-D372 PolarHBondContact O-N 2.99Å; D372-L374 VanDerWaalsContact C-N 3.26Å; D372-L374 PolarHBondContact O-N 3.33Å; D372-H375 WeakPolarHBondContact O-CB 2.91Å; D372-H375 PolarHBondContact O-N 3.5Å; D372-H375 VanDerWaalsContact O-N 3.14Å; D372-I376 WeakPolarHBondContact O-CG1 3.45Å; D372-I376 PolarHBondContact O-N 2.93Å
373L92.7Very high92.6Very high28 Ų2854.3 Ų54.315%0.14728%0.281CS..Hα-helixtrans-65-27.3174.6-70.2-179.6000113.1V357 A360 L369 N370 I376 P377 L398V357-L373 HydrophobicContact CG1-CD2 4.41Å; A360-L373 HydrophobicContact CB-CD2 4.14Å; L369-L373 HydrophobicContact CD1-CD1 4.02Å; L369-L373 HydrophobicContact CD1-CD2 4.34Å; L369-L373 HydrophobicContact CD1-CG 3.9Å; L369-L373 HydrophobicContact CD2-CD1 4.22Å; L369-L373 HydrophobicContact CG-CD1 3.73Å; L369-L373 HydrophobicContact CG-CG 4.05Å; L369-L373 WeakPolarHBondContact O-CG 3.33Å; L369-L373 PolarHBondContact O-N 3.19Å; N370-L373 PolarHBondContact O-N 2.97Å; L373-I376 HydrophobicContact CD2-CD1 4.27Å; L373-P377 WeakPolarHBondContact O-CD 3.34Å; L373-L398 HydrophobicContact CD1-CD1 4.23Å; L373-L398 HydrophobicContact CD1-CD2 3.87Å; L373-L398 HydrophobicContact CD2-CD2 4.27Å
374L93.5Very high92.9Very high118 Ų11855.8 Ų55.862%0.61830%0.298SS*.Hα-helixtrans-76.5-34.1172.2-71172.3000112.1N370 P371 D372 I376 P377 M378N370-L374 WeakPolarHBondContact O-CG 3.38Å; N370-L374 PolarHBondContact O-N 2.83Å; P371-L374 PolarHBondContact O-N 3.34Å; D372-L374 VanDerWaalsContact C-N 3.26Å; D372-L374 PolarHBondContact O-N 3.33Å; L374-I376 VanDerWaalsContact C-N 3.35Å; L374-I376 PolarHBondContact O-N 3.25Å; L374-P377 WeakPolarHBondContact O-CD 3.45Å; L374-M378 HydrophobicContact CB-CE 4.49Å; L374-M378 VanDerWaalsContact O-CE 3.24Å; L374-M378 WeakPolarHBondContact O-CE 3.48Å
375H93.8Very high93.2Very high47 Ų4755.8 Ų55.822%0.21830%0.296CS..Hα-helixtrans-61.5-42.1175.7-171.975.1000112.1R329 D335 P371 D372 M378 T379R329-H375 PolarHBondContact NE-CD2 3.03Å; D335-H375 IonicContact OD1-CE1 3.91Å; D335-H375 IonicContact OD1-NE2 3.82Å; D335-H375 PolarHBondContact OD1-NE2 2.86Å; D335-H375 IonicContact OD2-CE1 2.7Å; D335-H375 PolarHBondContact OD2-CE1 2.96Å; D335-H375 IonicContact OD2-NE2 3.91Å; D335-H375 PolarHBondContact OD2-NE2 3.11Å; P371-H375 PolarHBondContact O-N 3.25Å; P371-H375 VanDerWaalsContact O-N 3.08Å; D372-H375 WeakPolarHBondContact O-CB 2.91Å; D372-H375 PolarHBondContact O-N 3.5Å; D372-H375 VanDerWaalsContact O-N 3.14Å; H375-M378 PolarHBondContact O-N 3.26Å; H375-T379 PolarHBondContact CD2-OG1 3.35Å; H375-T379 VanDerWaalsContact CD2-OG1 3.26Å; H375-T379 PolarHBondContact NE2-OG1 3.39Å; H375-T379 VanDerWaalsContact NE2-OG1 3.07Å; H375-T379 PolarHBondContact O-N 3.45Å; H375-T379 PolarHBondContact O-OG1 2.95Å; H375-T379 VanDerWaalsContact O-OG1 3.04Å
376I94.5Very high93.5Very high3 Ų357 Ų572%0.01531%0.306CS..Hα-helixtrans-57.1-52.9-174-67.3166.6000113.3L356 V357 A360 D372 L373 L374 M378 T379 L380 I394L356-I376 HydrophobicContact CB-CD1 4.03Å; L356-I376 HydrophobicContact CB-CG1 4.09Å; L356-I376 HydrophobicContact CB-CG2 4.13Å; L356-I376 HydrophobicContact CD1-CG2 4.3Å; L356-I376 WeakPolarHBondContact O-CD1 3.42Å; V357-I376 HydrophobicContact CG2-CD1 4.25Å; V357-I376 HydrophobicContact CG2-CG2 4.5Å; A360-I376 HydrophobicContact CB-CD1 4.04Å; D372-I376 WeakPolarHBondContact O-CG1 3.45Å; D372-I376 PolarHBondContact O-N 2.93Å; L373-I376 HydrophobicContact CD2-CD1 4.27Å; L374-I376 VanDerWaalsContact C-N 3.35Å; L374-I376 PolarHBondContact O-N 3.25Å; I376-M378 VanDerWaalsContact C-N 3.35Å; I376-M378 PolarHBondContact O-N 3.14Å; I376-T379 PolarHBondContact O-N 2.79Å; I376-L380 HydrophobicContact CG2-CD1 3.63Å; I376-L380 HydrophobicContact CG2-CG 4.31Å; I376-L380 WeakPolarHBondContact O-CB 3.43Å; I376-L380 VanDerWaalsContact O-CG 3.29Å; I376-L380 WeakPolarHBondContact O-CG 3.36Å; I376-L380 PolarHBondContact O-N 2.8Å; I376-I394 HydrophobicContact CG2-CD1 4.31Å
377P94.5Very high93.7Very high35 Ų3557.5 Ų57.523%0.22730%0.296CS..Hα-helixtrans-55.4-45.9174.6-27.934.4000113.2L373 L374 T379 L380 E381 F390 I394L373-P377 WeakPolarHBondContact O-CD 3.34Å; L374-P377 WeakPolarHBondContact O-CD 3.45Å; P377-T379 VanDerWaalsContact C-N 3.29Å; P377-T379 PolarHBondContact O-N 3.44Å; P377-L380 PolarHBondContact O-N 3.05Å; P377-L380 VanDerWaalsContact O-N 3.16Å; P377-E381 WeakPolarHBondContact O-CG 3.29Å; P377-E381 PolarHBondContact O-N 3.17Å; P377-F390 HydrophobicContact CB-CE2 3.93Å; P377-F390 HydrophobicContact CB-CZ 4.47Å; P377-I394 HydrophobicContact CG-CD1 4.06Å
378M94.4Very high93.8Very high106 Ų10657.1 Ų57.152%0.52230%0.302SS..Hα-helixtrans-60.4-41.9179.7-67.6-171.3-85.500111.4L374 H375 I376 K382L374-M378 HydrophobicContact CB-CE 4.49Å; L374-M378 VanDerWaalsContact O-CE 3.24Å; L374-M378 WeakPolarHBondContact O-CE 3.48Å; H375-M378 PolarHBondContact O-N 3.26Å; I376-M378 VanDerWaalsContact C-N 3.35Å; I376-M378 PolarHBondContact O-N 3.14Å; M378-K382 WeakPolarHBondContact O-CG 3.16Å; M378-K382 PolarHBondContact O-N 2.77Å
379T94.2Very high93.7Very high3 Ų355.2 Ų55.22%0.01830%0.295CS..Hα-helixtrans-65.2-44.5175-57.10000112D335 Y337 H375 I376 P377 E381 K382 N383D335-T379 HydrophobicContact CB-CG2 3.76Å; D335-T379 WeakPolarHBondContact O-CG2 3.37Å; Y337-T379 HydrophobicContact CD2-CG2 3.56Å; Y337-T379 HydrophobicContact CE2-CG2 3.36Å; H375-T379 PolarHBondContact CD2-OG1 3.35Å; H375-T379 VanDerWaalsContact CD2-OG1 3.26Å; H375-T379 PolarHBondContact NE2-OG1 3.39Å; H375-T379 VanDerWaalsContact NE2-OG1 3.07Å; H375-T379 PolarHBondContact O-N 3.45Å; H375-T379 PolarHBondContact O-OG1 2.95Å; H375-T379 VanDerWaalsContact O-OG1 3.04Å; I376-T379 PolarHBondContact O-N 2.79Å; P377-T379 VanDerWaalsContact C-N 3.29Å; P377-T379 PolarHBondContact O-N 3.44Å; T379-E381 PolarHBondContact O-N 3.42Å; T379-K382 WeakPolarHBondContact O-CB 3.01Å; T379-K382 PolarHBondContact O-N 3.35Å; T379-N383 PolarHBondContact O-N 3.47Å; T379-N383 PolarHBondContact O-ND2 2.73Å
380L95.7Very high93.7Very high0 Ų053.6 Ų53.60%029%0.286CS..Hα-helixtrans-67.2-37.3-178.2-71.5170.3000112.4V353 L356 I376 P377 N383 G384 Y385 F390V353-L380 HydrophobicContact CB-CD1 4.31Å; V353-L380 HydrophobicContact CG1-CD1 3.89Å; V353-L380 HydrophobicContact CG2-CD1 3.85Å; V353-L380 HydrophobicContact CG2-CD2 3.94Å; L356-L380 HydrophobicContact CD1-CD2 4.17Å; L356-L380 HydrophobicContact CD1-CG 4.44Å; I376-L380 HydrophobicContact CG2-CD1 3.63Å; I376-L380 HydrophobicContact CG2-CG 4.31Å; I376-L380 WeakPolarHBondContact O-CB 3.43Å; I376-L380 VanDerWaalsContact O-CG 3.29Å; I376-L380 WeakPolarHBondContact O-CG 3.36Å; I376-L380 PolarHBondContact O-N 2.8Å; P377-L380 PolarHBondContact O-N 3.05Å; P377-L380 VanDerWaalsContact O-N 3.16Å; L380-N383 CarbonylContact O-C 3.47Å; L380-N383 PolarHBondContact O-N 3Å; L380-N383 VanDerWaalsContact O-N 3.11Å; L380-G384 PolarHBondContact O-N 3.39Å; L380-Y385 HydrophobicContact CB-CG 4.43Å; L380-Y385 HydrophobicContact CD2-CD1 4.32Å; L380-Y385 HydrophobicContact CD2-CD2 4.03Å; L380-Y385 HydrophobicContact CD2-CE2 4.26Å; L380-Y385 HydrophobicContact CD2-CG 4.09Å; L380-Y385 WeakPolarHBondContact O-CB 3.36Å; L380-Y385 PolarHBondContact O-N 3.06Å; L380-F390 HydrophobicContact CB-CD1 4.07Å; L380-F390 HydrophobicContact CB-CE1 4.45Å; L380-F390 HydrophobicContact CB-CG 4.36Å; L380-F390 HydrophobicContact CD1-CB 3.62Å; L380-F390 HydrophobicContact CD1-CG 4.08Å
381E95.3Very high93.7Very high81 Ų8151.4 Ų51.438%0.37928%0.279SS..Hα-helixtrans-61-44.4173-73.1-176.817100111.4P377 T379 N383 G384 K387 F390P377-E381 WeakPolarHBondContact O-CG 3.29Å; P377-E381 PolarHBondContact O-N 3.17Å; T379-E381 PolarHBondContact O-N 3.42Å; E381-N383 PolarHBondContact O-N 3.2Å; E381-G384 PolarHBondContact O-N 3.5Å; E381-K387 WeakPolarHBondContact OE1-CE 3.15Å; E381-K387 IonicContact OE1-NZ 3.8Å; E381-K387 PolarHBondContact OE1-NZ 2.91Å; E381-K387 IonicContact OE2-NZ 3.34Å; E381-F390 HydrophobicContact CG-CE1 3.78Å; E381-F390 HydrophobicContact CG-CZ 3.69Å
382K94.8Very high93.5Very high162 Ų16250.7 Ų50.770%0.70428%0.276SS*.Hα-helixtrans-60.9-25.2173.8-71.3175.5-177.6179.80113.5M378 T379M378-K382 WeakPolarHBondContact O-CG 3.16Å; M378-K382 PolarHBondContact O-N 2.77Å; T379-K382 WeakPolarHBondContact O-CB 3.01Å; T379-K382 PolarHBondContact O-N 3.35Å
383N95.5Very high93.4Very high10 Ų1050.5 Ų50.55%0.05327%0.274CS..THydrogen-bonded Turntrans-94.211.7176.7-71.6-83.9000113.3D335 Y337 H339 F340 T379 L380 E381 Y385D335-N383 PolarHBondContact O-ND2 3.06Å; Y337-N383 PolarHBondContact N-OD1 3.45Å; Y337-N383 PolarHBondContact O-OD1 3.42Å; H339-N383 WeakPolarHBondContact CA-O 3.44Å; H339-N383 PolarHBondContact CD2-O 3.47Å; F340-N383 PolarHBondContact N-O 3.39Å; T379-N383 PolarHBondContact O-N 3.47Å; T379-N383 PolarHBondContact O-ND2 2.73Å; L380-N383 CarbonylContact O-C 3.47Å; L380-N383 PolarHBondContact O-N 3Å; L380-N383 VanDerWaalsContact O-N 3.11Å; E381-N383 PolarHBondContact O-N 3.2Å; N383-Y385 HydrophobicContact CB-CD2 3.95Å; N383-Y385 HydrophobicContact CB-CE2 4.05Å; N383-Y385 PolarHBondContact O-N 3.23Å
384G94.8Very high93.3Very high34 Ų3450.1 Ų50.135%0.35127%0.273SS..THydrogen-bonded Turntrans7814173.800000115F340 L380 E381 P386F340-G384 VanDerWaalsContact CB-C 3.48Å; F340-G384 WeakPolarHBondContact CB-O 3.29Å; L380-G384 PolarHBondContact O-N 3.39Å; E381-G384 PolarHBondContact O-N 3.5Å; G384-P386 WeakPolarHBondContact O-CD 3.2Å
385Y96.1Very high93.2Very high7 Ų748.3 Ų48.33%0.02727%0.266CS..  trans-72.9130.2179.8-78.1-110.6000111.1L338 F340 K349 V353 L380 N383 F390L338-Y385 WeakPolarHBondContact O-CE2 3.32Å; L338-Y385 PolarHBondContact O-OH 2.92Å; F340-Y385 HydrophobicContact CB-CD2 4.19Å; F340-Y385 HydrophobicContact CB-CE2 4.43Å; F340-Y385 HydrophobicContact CB-CG 4.39Å; F340-Y385 AromaticContact CD2-CD1 3.96Å; F340-Y385 HydrophobicContact CD2-CD1 3.96Å; F340-Y385 HydrophobicContact CD2-CE1 4.21Å; F340-Y385 HydrophobicContact CD2-CG 4.2Å; K349-Y385 HydrophobicContact CB-CE1 3.91Å; V353-Y385 HydrophobicContact CG2-CD1 4.08Å; V353-Y385 HydrophobicContact CG2-CE1 4.09Å; L380-Y385 HydrophobicContact CB-CG 4.43Å; L380-Y385 HydrophobicContact CD2-CD1 4.32Å; L380-Y385 HydrophobicContact CD2-CD2 4.03Å; L380-Y385 HydrophobicContact CD2-CE2 4.26Å; L380-Y385 HydrophobicContact CD2-CG 4.09Å; L380-Y385 WeakPolarHBondContact O-CB 3.36Å; L380-Y385 PolarHBondContact O-N 3.06Å; N383-Y385 HydrophobicContact CB-CD2 3.95Å; N383-Y385 HydrophobicContact CB-CE2 4.05Å; N383-Y385 PolarHBondContact O-N 3.23Å; Y385-F390 WeakPolarHBondContact O-CE1 3.46Å
386P94.1Very high93.1Very high45 Ų4552.7 Ų52.729%0.29228%0.281SS..  trans-62.2135.5172.6-23.332.9000112.1F340 G384 T388 I389 F390F340-P386 HydrophobicContact CD1-CG 4.02Å; F340-P386 HydrophobicContact CE1-CG 3.62Å; F340-P386 HydrophobicContact CE2-CG 4.17Å; F340-P386 HydrophobicContact CG-CG 4.46Å; F340-P386 HydrophobicContact CZ-CG 3.71Å; G384-P386 WeakPolarHBondContact O-CD 3.2Å; P386-T388 PolarHBondContact O-N 3.16Å; P386-I389 HydrophobicContact CB-CD1 4.22Å; P386-I389 HydrophobicContact CB-CG1 4.3Å; P386-I389 HydrophobicContact CG-CD1 3.95Å; P386-I389 PolarHBondContact O-N 3.37Å; P386-F390 WeakPolarHBondContact O-CD1 3.3Å; P386-F390 PolarHBondContact O-N 2.9Å
387K94.1Very high92.8Very high117 Ų11757.7 Ų57.751%0.50930%0.3SS..Hα-helixtrans-52.8-39.7179.9-55.9-162.5-171.4-137.40113.1E381 I389 F390 C391E381-K387 WeakPolarHBondContact OE1-CE 3.15Å; E381-K387 IonicContact OE1-NZ 3.8Å; E381-K387 PolarHBondContact OE1-NZ 2.91Å; E381-K387 IonicContact OE2-NZ 3.34Å; K387-I389 VanDerWaalsContact C-N 3.25Å; K387-I389 PolarHBondContact O-N 3.28Å; K387-F390 HydrophobicContact CB-CE1 4.17Å; K387-F390 HydrophobicContact CB-CZ 3.95Å; K387-F390 HydrophobicContact CG-CE1 4.05Å; K387-F390 HydrophobicContact CG-CZ 3.78Å; K387-F390 PolarHBondContact O-N 3.43Å; K387-C391 WeakPolarHBondContact O-CB 3.32Å; K387-C391 PolarHBondContact O-N 3.1Å; K387-C391 PolarHBondContact O-SG 3.16Å
388T91.3Very high92.5Very high111 Ų11159.4 Ų59.468%0.68131%0.307SS*.Hα-helixtrans-57.9-36.2178.955.30000113P386 S392P386-T388 PolarHBondContact O-N 3.16Å; T388-S392 WeakPolarHBondContact O-CB 3.45Å; T388-S392 PolarHBondContact O-N 2.91Å; T388-S392 PolarHBondContact O-OG 3.39Å
389I89.4Confident92.1Very high24 Ų2459.7 Ų59.712%0.12331%0.31CS..Hα-helixtrans-78.9-48.5-175.6-63178000110.8F340 M346 R350 P386 K387 S392 T393F340-I389 HydrophobicContact CE2-CD1 3.51Å; F340-I389 HydrophobicContact CZ-CD1 3.53Å; M346-I389 HydrophobicContact CE-CD1 3.82Å; R350-I389 HydrophobicContact CG-CG2 4.3Å; P386-I389 HydrophobicContact CB-CD1 4.22Å; P386-I389 HydrophobicContact CB-CG1 4.3Å; P386-I389 HydrophobicContact CG-CD1 3.95Å; P386-I389 PolarHBondContact O-N 3.37Å; K387-I389 VanDerWaalsContact C-N 3.25Å; K387-I389 PolarHBondContact O-N 3.28Å; I389-S392 PolarHBondContact O-OG 3.22Å; I389-S392 VanDerWaalsContact O-OG 3.06Å; I389-T393 WeakPolarHBondContact O-CB 3.48Å; I389-T393 PolarHBondContact O-N 3Å; I389-T393 PolarHBondContact O-OG1 3.03Å
390F91.8Very high91.2Very high3 Ų364.3 Ų64.31%0.01334%0.34CS..Hα-helixtrans-76.2-39.9-177.567-110.7000112V353 P377 L380 E381 Y385 P386 K387 S392 T393 I394V353-F390 HydrophobicContact CG1-CB 4.03Å; V353-F390 HydrophobicContact CG2-CB 4.16Å; P377-F390 HydrophobicContact CB-CE2 3.93Å; P377-F390 HydrophobicContact CB-CZ 4.47Å; L380-F390 HydrophobicContact CB-CD1 4.07Å; L380-F390 HydrophobicContact CB-CE1 4.45Å; L380-F390 HydrophobicContact CB-CG 4.36Å; L380-F390 HydrophobicContact CD1-CB 3.62Å; L380-F390 HydrophobicContact CD1-CG 4.08Å; E381-F390 HydrophobicContact CG-CE1 3.78Å; E381-F390 HydrophobicContact CG-CZ 3.69Å; Y385-F390 WeakPolarHBondContact O-CE1 3.46Å; P386-F390 WeakPolarHBondContact O-CD1 3.3Å; P386-F390 PolarHBondContact O-N 2.9Å; K387-F390 HydrophobicContact CB-CE1 4.17Å; K387-F390 HydrophobicContact CB-CZ 3.95Å; K387-F390 HydrophobicContact CG-CE1 4.05Å; K387-F390 HydrophobicContact CG-CZ 3.78Å; K387-F390 PolarHBondContact O-N 3.43Å; F390-S392 PolarHBondContact O-N 2.92Å; F390-T393 PolarHBondContact O-N 3.31Å; F390-T393 VanDerWaalsContact O-N 3.17Å; F390-I394 HydrophobicContact CB-CD1 4.46Å; F390-I394 HydrophobicContact CD2-CD1 3.94Å; F390-I394 WeakPolarHBondContact O-CB 3.5Å; F390-I394 WeakPolarHBondContact O-CG1 3.3Å; F390-I394 PolarHBondContact O-N 3.24Å
391C92.5Very high89.6Confident60 Ų6073.7 Ų73.741%0.40538%0.381SS..Hα-helixtrans-59.8-48.2178.6-69.10000111K387 T393 I394 T395K387-C391 WeakPolarHBondContact O-CB 3.32Å; K387-C391 PolarHBondContact O-N 3.1Å; K387-C391 PolarHBondContact O-SG 3.16Å; C391-T393 VanDerWaalsContact C-N 3.29Å; C391-T393 PolarHBondContact O-N 2.93Å; C391-I394 PolarHBondContact O-N 2.99Å; C391-T395 WeakPolarHBondContact O-CB 3.29Å; C391-T395 PolarHBondContact O-N 3.48Å; C391-T395 PolarHBondContact O-OG1 3.41Å
392S89.9Confident87.5Confident65 Ų6579 Ų7946%0.45541%0.406SS..Hα-helixtrans-61.3-37.5177.859.40000112.7T388 I389 F390 R396T388-S392 WeakPolarHBondContact O-CB 3.45Å; T388-S392 PolarHBondContact O-N 2.91Å; T388-S392 PolarHBondContact O-OG 3.39Å; I389-S392 PolarHBondContact O-OG 3.22Å; I389-S392 VanDerWaalsContact O-OG 3.06Å; F390-S392 PolarHBondContact O-N 2.92Å; S392-R396 VanDerWaalsContact O-CB 3.31Å; S392-R396 WeakPolarHBondContact O-CB 3.49Å; S392-R396 PolarHBondContact O-N 3.04Å; S392-R396 VanDerWaalsContact O-N 3.13Å
393T89.1Confident85.1Confident1 Ų175 Ų751%0.00640%0.398CS..Hα-helixtrans-69.2-45.7177.7-57.10000111.3V353 T354 I389 F390 C391 R396 R397V353-T393 HydrophobicContact CB-CG2 4.03Å; V353-T393 HydrophobicContact CG1-CG2 3.75Å; T354-T393 WeakPolarHBondContact OG1-CG2 3.41Å; I389-T393 WeakPolarHBondContact O-CB 3.48Å; I389-T393 PolarHBondContact O-N 3Å; I389-T393 PolarHBondContact O-OG1 3.03Å; F390-T393 PolarHBondContact O-N 3.31Å; F390-T393 VanDerWaalsContact O-N 3.17Å; C391-T393 VanDerWaalsContact C-N 3.29Å; C391-T393 PolarHBondContact O-N 2.93Å; T393-R396 PolarHBondContact O-N 3.02Å; T393-R397 WeakPolarHBondContact O-CG 3.5Å; T393-R397 PolarHBondContact O-N 3.14Å; T393-R397 VanDerWaalsContact O-N 3.11Å
394I91.4Very high82.5Confident21 Ų2179.2 Ų79.211%0.10843%0.429CS..Hα-helixtrans-60.9-51.5177.6-66.2165.7000110.1V353 V357 I376 P377 F390 C391 R396 R397 L398V353-I394 HydrophobicContact CG1-CG1 4.07Å; V357-I394 HydrophobicContact CG2-CB 4.36Å; V357-I394 HydrophobicContact CG2-CG1 3.68Å; V357-I394 HydrophobicContact CG2-CG2 4.44Å; I376-I394 HydrophobicContact CG2-CD1 4.31Å; P377-I394 HydrophobicContact CG-CD1 4.06Å; F390-I394 HydrophobicContact CB-CD1 4.46Å; F390-I394 HydrophobicContact CD2-CD1 3.94Å; F390-I394 WeakPolarHBondContact O-CB 3.5Å; F390-I394 WeakPolarHBondContact O-CG1 3.3Å; F390-I394 PolarHBondContact O-N 3.24Å; C391-I394 PolarHBondContact O-N 2.99Å; I394-R396 VanDerWaalsContact C-N 3.28Å; I394-R396 PolarHBondContact O-N 3.17Å; I394-R397 PolarHBondContact O-N 3.17Å; I394-L398 HydrophobicContact CG2-CD1 3.68Å; I394-L398 HydrophobicContact CG2-CG 4.27Å; I394-L398 WeakPolarHBondContact O-CG 3.04Å; I394-L398 PolarHBondContact O-N 3.29Å
395T91Very high79.6Confident79 Ų7983.2 Ų83.249%0.48545%0.451SS..Hα-helixtrans-57.4-41179.3-57.40000111.9C391 R397 L398 N399C391-T395 WeakPolarHBondContact O-CB 3.29Å; C391-T395 PolarHBondContact O-N 3.48Å; C391-T395 PolarHBondContact O-OG1 3.41Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 2.84Å; T395-L398 PolarHBondContact O-N 3.23Å; T395-N399 WeakPolarHBondContact O-CB 3.27Å; T395-N399 PolarHBondContact O-N 3.29Å
396R90.1Very high76.8Confident139 Ų13985.5 Ų85.553%0.52547%0.466SS..Hα-helixtrans-66.8-32.6177.8-177.1179.361.9-168.6-1.7113S392 T393 I394 N399S392-R396 VanDerWaalsContact O-CB 3.31Å; S392-R396 WeakPolarHBondContact O-CB 3.49Å; S392-R396 PolarHBondContact O-N 3.04Å; S392-R396 VanDerWaalsContact O-N 3.13Å; T393-R396 PolarHBondContact O-N 3.02Å; I394-R396 VanDerWaalsContact C-N 3.28Å; I394-R396 PolarHBondContact O-N 3.17Å; R396-N399 CarbonylContact O-C 3.52Å
397R89Confident74.2Confident108 Ų10888 Ų8841%0.40848%0.481SS..Hα-helixtrans-78.4-35.2177.5-65.8-57.2-75.1177.9-12.6112.4T354 V357 D358 T393 I394 T395T354-R397 HydrophobicContact CG2-CG 4.34Å; V357-R397 HydrophobicContact CB-CB 4.48Å; V357-R397 HydrophobicContact CG1-CB 3.74Å; V357-R397 HydrophobicContact CG1-CG 4.45Å; D358-R397 IonicContact OD1-CZ 3.39Å; D358-R397 IonicContact OD1-NE 3.68Å; D358-R397 PolarHBondContact OD1-NE 2.75Å; D358-R397 IonicContact OD1-NH2 3.75Å; D358-R397 PolarHBondContact OD1-NH2 2.82Å; D358-R397 IonicContact OD2-CZ 2.74Å; D358-R397 IonicContact OD2-NE 2.75Å; D358-R397 IonicContact OD2-NH2 3.17Å; D358-R397 PolarHBondContact OD2-NH2 2.99Å; T393-R397 WeakPolarHBondContact O-CG 3.5Å; T393-R397 PolarHBondContact O-N 3.14Å; T393-R397 VanDerWaalsContact O-N 3.11Å; I394-R397 PolarHBondContact O-N 3.17Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 2.84Å
398L88.1Confident71.8Confident72 Ų7290.6 Ų90.638%0.37749%0.494SS..Hα-helixtrans-75.7-30.1177.1-65.1175.1000112.9V357 I361 L373 I394 T395 P400V357-L398 HydrophobicContact CG1-CD2 4.44Å; I361-L398 HydrophobicContact CD1-CD2 3.91Å; I361-L398 HydrophobicContact CG1-CD2 4.31Å; L373-L398 HydrophobicContact CD1-CD1 4.23Å; L373-L398 HydrophobicContact CD1-CD2 3.87Å; L373-L398 HydrophobicContact CD2-CD2 4.27Å; I394-L398 HydrophobicContact CG2-CD1 3.68Å; I394-L398 HydrophobicContact CG2-CG 4.27Å; I394-L398 WeakPolarHBondContact O-CG 3.04Å; I394-L398 PolarHBondContact O-N 3.29Å; T395-L398 PolarHBondContact O-N 3.23Å; L398-P400 VanDerWaalsContact C-CD 3.42Å; L398-P400 VanDerWaalsContact O-CD 3.25Å; L398-P400 WeakPolarHBondContact O-CD 3.2Å
399N87.2Confident69.6Low111 Ų11195 Ų9559%0.59450%0.498SS*.SBendtrans-115.275.2175.2-61.2-47.9000109.8T395 R396 K401T395-N399 WeakPolarHBondContact O-CB 3.27Å; T395-N399 PolarHBondContact O-N 3.29Å; R396-N399 CarbonylContact O-C 3.52Å; N399-K401 PolarHBondContact O-N 3.2Å
400P75.3Confident67.7Low100 Ų10099.7 Ų99.765%0.64952%0.524SS*.  trans-60.3115.3171.225.9-30.8000107.3L398 E402L398-P400 VanDerWaalsContact C-CD 3.42Å; L398-P400 VanDerWaalsContact O-CD 3.25Å; L398-P400 WeakPolarHBondContact O-CD 3.2Å; P400-E402 PolarHBondContact O-N 3.49Å; P400-E402 VanDerWaalsContact O-N 3.17Å
401K61.6Low65.7Low198 Ų198108.8 Ų108.886%0.86156%0.558SS**  trans-57.8125166.9-68-174.6178-173.80105.9N399 S403N399-K401 PolarHBondContact O-N 3.2Å; K401-S403 VanDerWaalsContact C-N 3.29Å; K401-S403 PolarHBondContact O-N 3.11Å
402E51.5Low63.1Low193 Ų193111.6 Ų111.690%0.90257%0.568SS**  trans-53.4103.2162.3-73.3-176.9166.500106.4P400 S404P400-E402 PolarHBondContact O-N 3.49Å; P400-E402 VanDerWaalsContact O-N 3.17Å; E402-S404 PolarHBondContact O-N 3.18Å
403S43.9Very low60.8Low76 Ų76112.9 Ų112.953%0.53158%0.575SS.*  trans-70.391.3173.456.70000106.3K401 S405K401-S403 VanDerWaalsContact C-N 3.29Å; K401-S403 PolarHBondContact O-N 3.11Å; S403-S405 PolarHBondContact O-N 2.7Å
404S41.2Very low58.7Low100 Ų100118.9 Ų118.970%0.69961%0.611SS**THydrogen-bonded Turntrans-25.5115.7155.9520000111.2E402 T406E402-S404 PolarHBondContact O-N 3.18Å; S404-T406 PolarHBondContact O-N 3.45Å
405S33.5Very low56.5Low117 Ų117125 Ų12582%0.81864%0.643SS**THydrogen-bonded Turntrans3668.1158.763.40000115.4S403S403-S405 PolarHBondContact O-N 2.7Å
406T37Very low54.3Low56 Ų56127 Ų12734%0.34466%0.656SS.*  trans-88108.3160.2-25.50000107S404 E408 D410S404-T406 PolarHBondContact O-N 3.45Å; T406-E408 PolarHBondContact O-N 2.8Å; T406-D410 HydrophobicContact CG2-CB 3.52Å; T406-D410 WeakPolarHBondContact CG2-OD2 3.09Å
407T40Very low52.2Low98 Ų98126.4 Ų126.460%0.60166%0.662SS**  trans-44.5137.6176-42.60000109.9R409 D410T407-R409 PolarHBondContact O-N 3.29Å; T407-D410 PolarHBondContact O-N 2.89Å
408E43.6Very low49.8Very low171 Ų171126.4 Ų126.480%0.79968%0.678SS**G310 helixtrans-46.5-23.1-174.6-157-178.8-158.900115.1T406 D410 R411T406-E408 PolarHBondContact O-N 2.8Å; E408-D410 VanDerWaalsContact C-N 3.35Å; E408-D410 PolarHBondContact O-N 3.33Å; E408-R411 PolarHBondContact O-N 2.7Å
409R45.6Very low48.3Very low203 Ų203137.2 Ų137.277%0.76672%0.716SS**G310 helixtrans-63.3-30175.1-63.8-174.2-157.41706.9114.9T407 R411T407-R409 PolarHBondContact O-N 3.29Å; R409-R411 VanDerWaalsContact C-N 3.27Å; R409-R411 PolarHBondContact O-N 3.04Å
410D48.9Very low46.3Very low122 Ų122138.6 Ų138.665%0.65272%0.722SS**G310 helixtrans-81.4-6.3-177.5-73.2-19.6000113.2T406 T407 E408T406-D410 HydrophobicContact CG2-CB 3.52Å; T406-D410 WeakPolarHBondContact CG2-OD2 3.09Å; T407-D410 PolarHBondContact O-N 2.89Å; E408-D410 VanDerWaalsContact C-N 3.35Å; E408-D410 PolarHBondContact O-N 3.33Å
411R49.2Very low44.8Very low195 Ų195140.6 Ų140.674%0.73673%0.726SS**G310 helixtrans-95.7-4.1176-68.2-174.2178.2166.80.3113.6E408 R409E408-R411 PolarHBondContact O-N 2.7Å; R409-R411 VanDerWaalsContact C-N 3.27Å; R409-R411 PolarHBondContact O-N 3.04Å
412L38.8Very low43.9Very low118 Ų118137.4 Ų137.462%0.61872%0.719SS**SBendtrans-81.3132.8176.2-70.8165.1000109.6V414L412-V414 PolarHBondContact O-N 3.22Å
413P40.9Very low43.4Very low92 Ų92134.1 Ų134.160%0.59771%0.708SS**  trans-60116.1173.423.8-30.9000109.3L415P413-L415 PolarHBondContact O-N 3.25Å
414V45.3Very low43.4Very low127 Ų127137.8 Ų137.877%0.7772%0.719SS**  trans-78.2112175.11780000108.2L412 T416L412-V414 PolarHBondContact O-N 3.22Å; V414-T416 PolarHBondContact O-N 3.37Å
415L44.2Very low43.5Very low149 Ų149140.3 Ų140.378%0.7872%0.72SS**  trans-87.699.7172.2-151.8105.1000108.8P413 I417P413-L415 PolarHBondContact O-N 3.25Å; L415-I417 HydrophobicContact CD2-CD1 4.47Å; L415-I417 HydrophobicContact CD2-CG1 4.05Å; L415-I417 PolarHBondContact O-N 2.71Å
416T45.6Very low44.3Very low121 Ų121141.9 Ų141.974%0.74271%0.713SS**  trans-78.7103.7175.8-46.10000109.6V414V414-T416 PolarHBondContact O-N 3.37Å
417I45.6Very low44.8Very low127 Ų127148.5 Ų148.565%0.65174%0.742SS**  trans-83.8115.2171.3-53.4175.7000107.6L415 Y419L415-I417 HydrophobicContact CD2-CD1 4.47Å; L415-I417 HydrophobicContact CD2-CG1 4.05Å; L415-I417 PolarHBondContact O-N 2.71Å; I417-Y419 PolarHBondContact O-N 2.78Å
418S39.6Very low45.2Very low108 Ų108152.8 Ų152.876%0.75575%0.754SS**  trans-70.2121.2167.1-48.30000108.6
419Y55.5Low45.4Very low300 Ų300151.1 Ų151.1100%1.17675%0.75SS**  trans-62.20169.6-76.1-84.9000111.9I417I417-Y419 PolarHBondContact O-N 2.78Å

Retrieved 419 of 419 residues in 2040.8 ms (Link to these results)

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