A0A077YZX7_TRITR Loading...

Prostatic acid phosphatase lysosomal acid phosph atase

AlphaFold DB , UniProt , Accession A0A077YZX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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
1M34.1Very low41.5Very low233 Ų233147.2 Ų147.2100%1.14879%0.793SS**  0102.80-75.1177-17400108.2
2F34.7Very low42.1Very low219 Ų219148.7 Ų148.796%0.96179%0.791SS**  trans17686.4152-91.4-65000105.3
3S33.7Very low42.5Very low104 Ų104143.9 Ų143.973%0.72776%0.759SS**  trans-96.994.2173.9161.20000107.5R5S3-R5 PolarHBondContact O-N 2.86Å
4S37.1Very low43.2Very low117 Ų117137.4 Ų137.482%0.81874%0.736SS**  trans-78.993168.258.60000109.1A6S4-A6 PolarHBondContact O-N 3.01Å
5R38.2Very low44.2Very low228 Ų228134.1 Ų134.186%0.8674%0.736SS**  trans-68.6110.5162.7-78.7179.1176.2-179.7-2.1107S3S3-R5 PolarHBondContact O-N 2.86Å
6A45.6Very low45.2Very low76 Ų76134.3 Ų134.363%0.62873%0.727SS**  trans-56138.316200000108.1S4 L8S4-A6 PolarHBondContact O-N 3.01Å; A6-L8 PolarHBondContact O-N 2.84Å; A6-L8 VanDerWaalsContact O-N 3.07Å
7P41.5Very low46.5Very low121 Ų121129.2 Ų129.279%0.78670%0.699SS**  trans-65.7116.4179.520.8-21.4000108.5V9P7-V9 PolarHBondContact O-N 3.4Å; P7-V9 VanDerWaalsContact O-N 3.14Å
8L46.3Very low47.9Very low168 Ų168129.3 Ų129.388%0.8869%0.692SS**  trans-60.5113.7169.1-73.7164.9000107.5A6 P10A6-L8 PolarHBondContact O-N 2.84Å; A6-L8 VanDerWaalsContact O-N 3.07Å; L8-P10 WeakPolarHBondContact O-CD 3.47Å
9V50.2Low49.3Very low100 Ų100124.2 Ų124.261%0.60667%0.667SS**  trans-57.5120.6169.9177.30000107.2P7 Q11 F13P7-V9 PolarHBondContact O-N 3.4Å; P7-V9 VanDerWaalsContact O-N 3.14Å; V9-Q11 PolarHBondContact O-N 2.84Å; V9-F13 HydrophobicContact CG1-CB 3.79Å
10P44.4Very low50.9Low71 Ų71121.1 Ų121.146%0.46165%0.647SS.*  trans-55.1134.5178.8-2229.5000109.9L8 H12 F13L8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-H12 PolarHBondContact O-N 3.07Å; P10-F13 HydrophobicContact CB-CD2 3.93Å; P10-F13 HydrophobicContact CB-CE2 4.45Å; P10-F13 HydrophobicContact CG-CD2 3.81Å; P10-F13 HydrophobicContact CG-CE2 4.1Å; P10-F13 PolarHBondContact O-N 3.3Å
11Q50.4Low52.4Low182 Ų182117 Ų11785%0.8562%0.624SS**Hα-helixtrans-53.5-26.8-176-72.6177.2-7.300113.1V9 F13 A14V9-Q11 PolarHBondContact O-N 2.84Å; Q11-F13 VanDerWaalsContact C-N 3.29Å; Q11-F13 PolarHBondContact O-N 3.25Å; Q11-A14 PolarHBondContact O-N 2.8Å
12H48.8Very low54.9Low165 Ų165107.4 Ų107.476%0.76458%0.579SS**Hα-helixtrans-63.7-25173.7-67.5-73.9000114.8P10P10-H12 PolarHBondContact O-N 3.07Å
13F47.8Very low57.4Low87 Ų8798.5 Ų98.538%0.38254%0.541SS..Hα-helixtrans-81.5-23.2177.9-80.5-72000113.5V9 P10 Q11 A15 F16V9-F13 HydrophobicContact CG1-CB 3.79Å; P10-F13 HydrophobicContact CB-CD2 3.93Å; P10-F13 HydrophobicContact CB-CE2 4.45Å; P10-F13 HydrophobicContact CG-CD2 3.81Å; P10-F13 HydrophobicContact CG-CE2 4.1Å; P10-F13 PolarHBondContact O-N 3.3Å; Q11-F13 VanDerWaalsContact C-N 3.29Å; Q11-F13 PolarHBondContact O-N 3.25Å; F13-A15 PolarHBondContact O-N 2.97Å; F13-F16 PolarHBondContact O-N 3.01Å
14A52.6Low60.1Low52 Ų5297 Ų9743%0.4352%0.522SS..Hα-helixtrans-64.6-30.1179.800000112.2Q11 F16 L17Q11-A14 PolarHBondContact O-N 2.8Å; A14-F16 PolarHBondContact O-N 2.88Å; A14-L17 PolarHBondContact O-N 3.24Å
15A58Low62.6Low89 Ų8993.6 Ų93.674%0.73649%0.494SS*.THydrogen-bonded Turntrans-65.8-20.4-179.300000114.3F13F13-A15 PolarHBondContact O-N 2.97Å
16F59.9Low65.1Low137 Ų13785.7 Ų85.760%0.60147%0.466SS*.THydrogen-bonded Turntrans-100.7-2.7-178.1-68.4-82.1000114F13 A14F13-F16 PolarHBondContact O-N 3.01Å; A14-F16 PolarHBondContact O-N 2.88Å
17L67.1Low67.4Low47 Ų4786.8 Ų86.825%0.24645%0.454CS..EExtended strand (participates in β ladder)trans-97.598.5-176.5-65177000110.1A14 R307 F308 R309A14-L17 PolarHBondContact O-N 3.24Å; L17-R307 HydrophobicContact CB-CB 4.15Å; L17-R307 HydrophobicContact CB-CG 4.42Å; L17-R307 HydrophobicContact CD1-CB 4.21Å; L17-R307 HydrophobicContact CD2-CB 4.14Å; L17-R307 HydrophobicContact CG-CB 4.39Å; L17-F308 WeakPolarHBondContact CD2-O 3.09Å; L17-R309 HydrophobicContact CD2-CG 4.02Å
18K71.3Confident70Confident131 Ų13182.6 Ų82.657%0.5742%0.424SS*.EExtended strand (participates in β ladder)trans-84.6128169.6-165.7176.7178.5174.70109.1F310K18-F310 HydrophobicContact CB-CD2 4.26Å; K18-F310 HydrophobicContact CB-CE2 3.74Å
19C75.4Confident72.4Confident33 Ų3374.8 Ų74.822%0.22338%0.384CS..EExtended strand (participates in β ladder)trans-67.3136.9166.4-167.40000107.6F21 L76C19-F21 PolarHBondContact SG-O 3.4Å; C19-L76 VanDerWaalsContact C-CD2 3.48Å; C19-L76 HydrophobicContact CB-CD1 4.24Å; C19-L76 HydrophobicContact CB-CD2 4.11Å; C19-L76 WeakPolarHBondContact O-CD2 3.48Å
20F81.6Confident74.6Confident61 Ų6171.6 Ų71.627%0.26836%0.362SS..EExtended strand (participates in β ladder)trans-119.7-13.8176.667.5-82.7000111.9C306 F308F20-C306 HydrophobicContact CD1-CB 4.44Å; F20-C306 WeakPolarHBondContact CD1-O 3.4Å; F20-C306 HydrophobicContact CE1-CB 3.26Å; F20-C306 WeakPolarHBondContact CE1-O 3.48Å; F20-C306 HydrophobicContact CE2-CB 4.42Å; F20-C306 HydrophobicContact CZ-CB 3.24Å; F20-F308 HydrophobicContact CB-CD2 4.5Å; F20-F308 HydrophobicContact CD1-CB 4.37Å; F20-F308 AromaticContact CD1-CD2 3.05Å; F20-F308 HydrophobicContact CD1-CD2 3.05Å; F20-F308 AromaticContact CD1-CE2 3.49Å; F20-F308 HydrophobicContact CD1-CE2 3.49Å; F20-F308 VanDerWaalsContact CD1-CE2 3.49Å; F20-F308 AromaticContact CD1-CG 3.95Å; F20-F308 HydrophobicContact CD1-CG 3.95Å; F20-F308 HydrophobicContact CD2-CD2 4.08Å; F20-F308 AromaticContact CD2-CE2 3.78Å; F20-F308 HydrophobicContact CD2-CE2 3.78Å; F20-F308 AromaticContact CE1-CD2 2.99Å; F20-F308 HydrophobicContact CE1-CD2 2.99Å; F20-F308 AromaticContact CE1-CE2 3.04Å; F20-F308 HydrophobicContact CE1-CE2 3.04Å; F20-F308 AromaticContact CE1-CG 3.77Å; F20-F308 HydrophobicContact CE1-CG 3.77Å; F20-F308 AromaticContact CE1-CZ 3.87Å; F20-F308 HydrophobicContact CE1-CZ 3.87Å; F20-F308 HydrophobicContact CE2-CD2 4.06Å; F20-F308 AromaticContact CE2-CE2 3.4Å; F20-F308 HydrophobicContact CE2-CE2 3.4Å; F20-F308 HydrophobicContact CE2-CZ 4.25Å; F20-F308 AromaticContact CG-CD2 3.61Å; F20-F308 HydrophobicContact CG-CD2 3.61Å; F20-F308 AromaticContact CG-CE2 3.82Å; F20-F308 HydrophobicContact CG-CE2 3.82Å; F20-F308 AromaticContact CZ-CD2 3.54Å; F20-F308 HydrophobicContact CZ-CD2 3.54Å; F20-F308 AromaticContact CZ-CE2 3Å; F20-F308 HydrophobicContact CZ-CE2 3Å; F20-F308 AromaticContact CZ-CZ 3.65Å; F20-F308 HydrophobicContact CZ-CZ 3.65Å
21F82.7Confident77.1Confident36 Ų3669.2 Ų69.216%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-158.3141-177.4179.1-118.6000110.2C19 I23 E266C19-F21 PolarHBondContact SG-O 3.4Å; F21-I23 HydrophobicContact CD1-CG1 4.38Å; F21-I23 HydrophobicContact CE1-CD1 3.49Å; F21-I23 VanDerWaalsContact CE1-CD1 3.49Å; F21-I23 HydrophobicContact CE1-CG1 3.39Å; F21-I23 HydrophobicContact CE2-CG1 4.34Å; F21-I23 HydrophobicContact CZ-CD1 3.7Å; F21-I23 HydrophobicContact CZ-CG1 3.36Å; F21-E266 HydrophobicContact CE1-CG 4.45Å
22C86.8Confident79.3Confident31 Ų3160.7 Ų60.721%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-136.9136.1177.5-170.90000110.3K24 Y73 L76C22-K24 WeakPolarHBondContact SG-CE 3.4Å; C22-Y73 HydrophobicContact CB-CD1 4.29Å; C22-Y73 HydrophobicContact CB-CE1 4.17Å; C22-Y73 VanDerWaalsContact SG-CZ 3.59Å; C22-L76 HydrophobicContact CB-CD1 4.02Å
23I87Confident81.6Confident32 Ų3252.8 Ų52.816%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-109.9131.5167.1-64.3175.6000108F21 V262F21-I23 HydrophobicContact CD1-CG1 4.38Å; F21-I23 HydrophobicContact CE1-CD1 3.49Å; F21-I23 VanDerWaalsContact CE1-CD1 3.49Å; F21-I23 HydrophobicContact CE1-CG1 3.39Å; F21-I23 HydrophobicContact CE2-CG1 4.34Å; F21-I23 HydrophobicContact CZ-CD1 3.7Å; F21-I23 HydrophobicContact CZ-CG1 3.36Å; I23-V262 HydrophobicContact CD1-CB 4.34Å; I23-V262 HydrophobicContact CD1-CG1 3.5Å; I23-V262 VanDerWaalsContact CD1-CG1 3.5Å; I23-V262 HydrophobicContact CD1-CG2 4.35Å
24K90.1Very high83.7Confident74 Ų7453.1 Ų53.132%0.32227%0.273SS..  trans-122.9122.8175.7-69.2-67.7176.7169.40110.6C22 F26 L69 Y73C22-K24 WeakPolarHBondContact SG-CE 3.4Å; K24-F26 HydrophobicContact CB-CD1 4.5Å; K24-L69 HydrophobicContact CD-CD2 4.01Å; K24-L69 HydrophobicContact CG-CD2 4Å; K24-Y73 HydrophobicContact CD-CE2 4.47Å; K24-Y73 WeakPolarHBondContact CE-OH 3.31Å; K24-Y73 PolarHBondContact NZ-OH 3.36Å
25L89.1Confident85.8Confident44 Ų4452.5 Ų52.523%0.2327%0.265CS..  trans-110.6130.4166.8-177.668.4000107.4F144 F258L25-F144 HydrophobicContact CD2-CE2 4.18Å; L25-F144 HydrophobicContact CD2-CZ 4.16Å; L25-F258 HydrophobicContact CD1-CZ 4.14Å; L25-F258 HydrophobicContact CD2-CE1 3.98Å; L25-F258 HydrophobicContact CD2-CZ 4.34Å
26F91.5Very high87.6Confident62 Ų6249 Ų4927%0.27224%0.235SC..  trans-142.9152.7175.952.2-91000109.9K24 Q62 L65 T103K24-F26 HydrophobicContact CB-CD1 4.5Å; F26-Q62 VanDerWaalsContact CD2-OE1 3.29Å; F26-Q62 VanDerWaalsContact CE2-OE1 3.26Å; F26-L65 HydrophobicContact CB-CD2 3.9Å; F26-L65 HydrophobicContact CD1-CD2 4.23Å; F26-L65 HydrophobicContact CD2-CD2 3.89Å; F26-L65 HydrophobicContact CE2-CD2 4.48Å; F26-L65 HydrophobicContact CG-CD2 3.75Å; F26-T103 HydrophobicContact CZ-CG2 4.1Å
27R93.2Very high89.3Confident100 Ų10042.6 Ų42.638%0.37721%0.207SC..  trans-77.6152.7172.1-172.9179.2167.4-173.7-7.6109Q62R27-Q62 PolarHBondContact O-NE2 3.16Å
28H95.6Very high90.7Very high32 Ų3244.1 Ų44.115%0.14822%0.219CC..  trans-53156.8166.663.476.3000111.7R95 T96 S99H28-R95 HydrophobicContact CB-CG 4.49Å; H28-T96 HydrophobicContact CB-CG2 4.03Å; H28-S99 VanDerWaalsContact CA-OG 3.24Å; H28-S99 WeakPolarHBondContact CA-OG 3.26Å; H28-S99 VanDerWaalsContact CB-OG 3.28Å; H28-S99 WeakPolarHBondContact CB-OG 3.42Å
29G96.4Very high92Very high4 Ų442.2 Ų42.24%0.04122%0.215CC..  trans-67.3-178.5172.200000112.8R31 S99G29-R31 PolarHBondContact O-N 3.45Å; G29-S99 PolarHBondContact N-OG 2.92Å
30E96.6Very high93Very high33 Ų3341 Ų4115%0.15421%0.207CC..  trans-49.6140.8173.3-170.7-169.684.400112.4L54 T55 K57 G58 L202E30-L54 WeakPolarHBondContact O-CD1 3.49Å; E30-T55 HydrophobicContact CG-CG2 4.47Å; E30-T55 PolarHBondContact O-N 3.07Å; E30-T55 PolarHBondContact O-OG1 2.69Å; E30-T55 PolarHBondContact OE1-OG1 2.92Å; E30-K57 VanDerWaalsContact OE2-CD 3.26Å; E30-K57 WeakPolarHBondContact OE2-CD 3.23Å; E30-K57 WeakPolarHBondContact OE2-CE 3.44Å; E30-K57 IonicContact OE2-NZ 2.7Å; E30-K57 PolarHBondContact OE2-NZ 3.26Å; E30-G58 VanDerWaalsContact N-CA 3.33Å; E30-G58 WeakPolarHBondContact O-CA 3.42Å; E30-L202 HydrophobicContact CG-CD2 4.37Å
31R96.5Very high93.8Very high22 Ų2243.6 Ų43.68%0.08323%0.227CC..BIsolated β-bridgetrans-135.9161.1-176.659159.7177.368.95.8110.7G29 Q53 D198 L202G29-R31 PolarHBondContact O-N 3.45Å; R31-Q53 CarbonylContact C-O 3.5Å; R31-Q53 WeakPolarHBondContact CA-O 3.33Å; R31-Q53 WeakPolarHBondContact CB-O 3.39Å; R31-D198 IonicContact CZ-OD2 2.93Å; R31-D198 IonicContact NH1-OD2 2.75Å; R31-D198 PolarHBondContact NH1-OD2 3.12Å; R31-D198 IonicContact NH2-OD1 2.64Å; R31-D198 PolarHBondContact NH2-OD1 3.31Å; R31-D198 IonicContact NH2-OD2 3.13Å; R31-D198 PolarHBondContact NH2-OD2 2.8Å; R31-L202 WeakPolarHBondContact O-CD2 3.31Å
32T97.2Very high94.4Very high2 Ų244.6 Ų44.61%0.01223%0.23CC..  trans-64.7161.116565.50000110.7W47 G50 G52 Q53 T55T32-W47 HydrophobicContact CG2-CB 4.06Å; T32-W47 HydrophobicContact CG2-CD2 4.28Å; T32-W47 HydrophobicContact CG2-CE3 3.65Å; T32-W47 HydrophobicContact CG2-CG 4.48Å; T32-W47 HydrophobicContact CG2-CZ3 4.48Å; T32-G50 WeakPolarHBondContact CB-O 3.5Å; T32-G50 PolarHBondContact OG1-O 3.22Å; T32-G52 PolarHBondContact OG1-N 3.1Å; T32-Q53 PolarHBondContact N-O 2.93Å; T32-Q53 PolarHBondContact OG1-N 2.95Å; T32-T55 HydrophobicContact CG2-CG2 4.07Å
33P96.5Very high94.9Very high0 Ų046.6 Ų46.60%024%0.237CC..  trans-55.9150.5177.5-25.134.2000111.6S35 W47 F51 G52 L202P33-S35 VanDerWaalsContact C-N 3.25Å; P33-S35 PolarHBondContact O-N 2.81Å; P33-W47 VanDerWaalsContact CD-CD2 3.46Å; P33-W47 VanDerWaalsContact CD-CZ2 3.42Å; P33-W47 HydrophobicContact CG-CD2 4.22Å; P33-W47 HydrophobicContact CG-CH2 3.82Å; P33-W47 HydrophobicContact CG-CZ2 3.36Å; P33-W47 HydrophobicContact CG-CZ3 4.42Å; P33-F51 HydrophobicContact CB-CD1 4.31Å; P33-F51 HydrophobicContact CB-CE1 4.45Å; P33-F51 CarbonylContact O-C 3.54Å; P33-F51 VanDerWaalsContact O-CA 3.27Å; P33-F51 WeakPolarHBondContact O-CA 3.43Å; P33-F51 WeakPolarHBondContact O-CB 3.39Å; P33-F51 WeakPolarHBondContact O-CD1 3.45Å; P33-G52 PolarHBondContact O-N 3.43Å; P33-L202 HydrophobicContact CB-CD1 4.21Å; P33-L202 HydrophobicContact CG-CB 4.08Å; P33-L202 HydrophobicContact CG-CD1 3.91Å
34L93.8Very high95.4Very high93 Ų9350 Ų5049%0.48725%0.252SS..SBendtrans-73.5-23.2175.7-64.5178.7000112.8
35S94.8Very high95.7Very high39 Ų3953.5 Ų53.527%0.27327%0.274SS..  trans-175.7166.2178.259.90000106.8P33 T199P33-S35 VanDerWaalsContact C-N 3.25Å; P33-S35 PolarHBondContact O-N 2.81Å; S35-T199 PolarHBondContact O-OG1 3.31Å; S35-T199 VanDerWaalsContact O-OG1 3.1Å
36T95.7Very high96.1Very high15 Ų1553.2 Ų53.29%0.09228%0.278CS..  trans-115.7-164.8169.6-166.30000112.7D40 F51 T199T36-D40 WeakPolarHBondContact CB-OD2 3.25Å; T36-D40 HydrophobicContact CG2-CB 3.93Å; T36-D40 WeakPolarHBondContact OG1-CB 3.32Å; T36-D40 VanDerWaalsContact OG1-CG 3.23Å; T36-D40 PolarHBondContact OG1-OD2 2.97Å; T36-F51 HydrophobicContact CG2-CZ 3.89Å; T36-T199 WeakPolarHBondContact OG1-CG2 3.22Å
37Y96.8Very high96.3Very high4 Ų451 Ų512%0.01627%0.268CS..  trans-104.1151.4173.853.2-82.1000111.2N39 D40 Q43 T183 L196 T199 L200 P211 W213Y37-N39 VanDerWaalsContact C-N 3.29Å; Y37-N39 HydrophobicContact CD2-CB 4.36Å; Y37-N39 PolarHBondContact O-N 2.71Å; Y37-D40 HydrophobicContact CD1-CB 4.04Å; Y37-D40 HydrophobicContact CD2-CB 3.78Å; Y37-D40 HydrophobicContact CE1-CB 3.79Å; Y37-D40 HydrophobicContact CE2-CB 3.56Å; Y37-D40 HydrophobicContact CG-CB 4.02Å; Y37-D40 VanDerWaalsContact O-CB 3.23Å; Y37-D40 WeakPolarHBondContact O-CB 3.42Å; Y37-D40 PolarHBondContact O-N 3.42Å; Y37-Q43 PolarHBondContact O-NE2 3Å; Y37-T183 HydrophobicContact CD2-CG2 4.22Å; Y37-T183 HydrophobicContact CG-CG2 4.3Å; Y37-L196 HydrophobicContact CD1-CD1 3.36Å; Y37-L196 HydrophobicContact CE1-CD1 3.54Å; Y37-L196 HydrophobicContact CG-CD1 4.04Å; Y37-T199 HydrophobicContact CD1-CG2 4.34Å; Y37-T199 HydrophobicContact CE1-CG2 4.08Å; Y37-L200 HydrophobicContact CE1-CD2 4.37Å; Y37-P211 WeakPolarHBondContact OH-CG 3.17Å; Y37-W213 HydrophobicContact CE2-CZ2 4.1Å
38P97.1Very high96.3Very high78 Ų7850.8 Ų50.851%0.50628%0.28SS..THydrogen-bonded Turntrans-52.7-39-174.1-31.334000115.9D40 T183 W185P38-D40 VanDerWaalsContact C-N 3.29Å; P38-D40 PolarHBondContact O-N 2.72Å; P38-T183 WeakPolarHBondContact CD-O 3.48Å; P38-W185 VanDerWaalsContact CD-NE1 3.25Å
39N97.5Very high96.3Very high91 Ų9156 Ų5649%0.48731%0.308SS..THydrogen-bonded Turntrans-87.55.5-178.1-65.8-4.7000113.7Y37 Q181 L182 T183 G184Y37-N39 VanDerWaalsContact C-N 3.29Å; Y37-N39 HydrophobicContact CD2-CB 4.36Å; Y37-N39 PolarHBondContact O-N 2.71Å; N39-Q181 PolarHBondContact ND2-O 3Å; N39-Q181 VanDerWaalsContact ND2-O 3.13Å; N39-L182 VanDerWaalsContact CB-O 3.31Å; N39-L182 WeakPolarHBondContact CB-O 3.42Å; N39-L182 PolarHBondContact ND2-O 3.16Å; N39-L182 VanDerWaalsContact ND2-O 3.07Å; N39-T183 PolarHBondContact N-O 3.26Å; N39-T183 VanDerWaalsContact N-O 3.08Å; N39-G184 PolarHBondContact ND2-N 2.7Å
40D97.3Very high96.3Very high9 Ų956.2 Ų56.25%0.04831%0.311CS..  trans-70.8138.2176.1-173.816.2000110.7T36 Y37 P38 Y42 Q43T36-D40 WeakPolarHBondContact CB-OD2 3.25Å; T36-D40 HydrophobicContact CG2-CB 3.93Å; T36-D40 WeakPolarHBondContact OG1-CB 3.32Å; T36-D40 VanDerWaalsContact OG1-CG 3.23Å; T36-D40 PolarHBondContact OG1-OD2 2.97Å; Y37-D40 HydrophobicContact CD1-CB 4.04Å; Y37-D40 HydrophobicContact CD2-CB 3.78Å; Y37-D40 HydrophobicContact CE1-CB 3.79Å; Y37-D40 HydrophobicContact CE2-CB 3.56Å; Y37-D40 HydrophobicContact CG-CB 4.02Å; Y37-D40 VanDerWaalsContact O-CB 3.23Å; Y37-D40 WeakPolarHBondContact O-CB 3.42Å; Y37-D40 PolarHBondContact O-N 3.42Å; P38-D40 VanDerWaalsContact C-N 3.29Å; P38-D40 PolarHBondContact O-N 2.72Å; D40-Y42 VanDerWaalsContact C-N 3.28Å; D40-Y42 PolarHBondContact OD1-N 2.77Å; D40-Y42 VanDerWaalsContact OD1-N 3.11Å; D40-Y42 VanDerWaalsContact OD2-O 3.05Å; D40-Q43 PolarHBondContact O-NE2 3.29Å
41V96.8Very high96.3Very high115 Ų11556.3 Ų56.370%0.69731%0.311SS*.SBendtrans-76.2-19.6175.3-59.80000111.9
42Y97.2Very high96.3Very high56 Ų5655.6 Ų55.622%0.2231%0.31CS..  trans-103.578.3-178.3-55-60.9000112.2D40 A46 E203 M208 K209D40-Y42 VanDerWaalsContact C-N 3.28Å; D40-Y42 PolarHBondContact OD1-N 2.77Å; D40-Y42 VanDerWaalsContact OD1-N 3.11Å; D40-Y42 VanDerWaalsContact OD2-O 3.05Å; Y42-A46 HydrophobicContact CD1-CB 4.06Å; Y42-A46 HydrophobicContact CG-CB 4.47Å; Y42-E203 HydrophobicContact CD2-CG 4.17Å; Y42-M208 HydrophobicContact CD1-SD 4.04Å; Y42-M208 HydrophobicContact CD2-CB 4.27Å; Y42-M208 HydrophobicContact CD2-SD 4.08Å; Y42-M208 HydrophobicContact CE1-CB 4.42Å; Y42-M208 HydrophobicContact CE1-SD 4.39Å; Y42-M208 HydrophobicContact CE2-CB 3.74Å; Y42-M208 HydrophobicContact CE2-SD 4.42Å; Y42-M208 HydrophobicContact CG-SD 3.87Å; Y42-K209 WeakPolarHBondContact CE2-O 3.47Å; Y42-K209 PolarHBondContact OH-N 3.32Å
43Q97.3Very high96.3Very high73 Ų7357.4 Ų57.434%0.34132%0.319SS..  trans-74.3-175.5173.3-60.3-59.6-42.500111.8Y37 D40 D45 A46Y37-Q43 PolarHBondContact O-NE2 3Å; D40-Q43 PolarHBondContact O-NE2 3.29Å; Q43-D45 PolarHBondContact O-N 2.96Å; Q43-D45 VanDerWaalsContact O-N 3.12Å; Q43-A46 VanDerWaalsContact O-CB 3.32Å; Q43-A46 WeakPolarHBondContact O-CB 3.49Å; Q43-A46 PolarHBondContact O-N 3.25Å
44E97.1Very high96.3Very high105 Ų10558.2 Ų58.249%0.49132%0.323SS..G310 helixtrans-56-34-170.1-172.1157.9-155.500113.9A46 W47 F51E44-A46 VanDerWaalsContact C-N 3.27Å; E44-A46 PolarHBondContact O-N 2.95Å; E44-W47 PolarHBondContact O-N 3.02Å; E44-F51 VanDerWaalsContact CA-CZ 3.42Å; E44-F51 HydrophobicContact CB-CD2 3.67Å; E44-F51 HydrophobicContact CB-CE1 4.41Å; E44-F51 HydrophobicContact CB-CE2 3.47Å; E44-F51 VanDerWaalsContact CB-CE2 3.47Å; E44-F51 HydrophobicContact CB-CG 4.25Å; E44-F51 HydrophobicContact CB-CZ 3.87Å; E44-F51 HydrophobicContact CG-CB 4.41Å; E44-F51 HydrophobicContact CG-CD1 4.48Å; E44-F51 HydrophobicContact CG-CD2 3.69Å; E44-F51 HydrophobicContact CG-CE2 4.05Å; E44-F51 HydrophobicContact CG-CG 3.93Å; E44-F51 VanDerWaalsContact N-CZ 3.29Å; E44-F51 PolarHBondContact OE1-N 3.22Å; E44-F51 VanDerWaalsContact OE1-N 3.11Å
45D96.6Very high96.5Very high146 Ų14655.2 Ų55.278%0.78131%0.309SS*.G310 helixtrans-67.1-22.4178.561.4-31.1000113.9Q43 W47Q43-D45 PolarHBondContact O-N 2.96Å; Q43-D45 VanDerWaalsContact O-N 3.12Å; D45-W47 PolarHBondContact O-N 2.87Å
46A96.8Very high96.5Very high38 Ų3861.3 Ų61.331%0.31433%0.33SS..G310 helixtrans-72.4-14.3174.200000113.1Y42 Q43 E44Y42-A46 HydrophobicContact CD1-CB 4.06Å; Y42-A46 HydrophobicContact CG-CB 4.47Å; Q43-A46 VanDerWaalsContact O-CB 3.32Å; Q43-A46 WeakPolarHBondContact O-CB 3.49Å; Q43-A46 PolarHBondContact O-N 3.25Å; E44-A46 VanDerWaalsContact C-N 3.27Å; E44-A46 PolarHBondContact O-N 2.95Å
47W96.2Very high96.5Very high15 Ų1564.9 Ų64.96%0.05734%0.344CS..SBendtrans-106.6126.6-174.3-66.791.2000111.6T32 P33 E44 D45 N49 G50 F51 L202 E203 A206 M208T32-W47 HydrophobicContact CG2-CB 4.06Å; T32-W47 HydrophobicContact CG2-CD2 4.28Å; T32-W47 HydrophobicContact CG2-CE3 3.65Å; T32-W47 HydrophobicContact CG2-CG 4.48Å; T32-W47 HydrophobicContact CG2-CZ3 4.48Å; P33-W47 VanDerWaalsContact CD-CD2 3.46Å; P33-W47 VanDerWaalsContact CD-CZ2 3.42Å; P33-W47 HydrophobicContact CG-CD2 4.22Å; P33-W47 HydrophobicContact CG-CH2 3.82Å; P33-W47 HydrophobicContact CG-CZ2 3.36Å; P33-W47 HydrophobicContact CG-CZ3 4.42Å; E44-W47 PolarHBondContact O-N 3.02Å; D45-W47 PolarHBondContact O-N 2.87Å; W47-N49 PolarHBondContact O-N 3.13Å; W47-G50 PolarHBondContact O-N 3.31Å; W47-F51 AromaticContact CD1-CD1 3.94Å; W47-F51 AromaticContact CD1-CE1 3.42Å; W47-F51 VanDerWaalsContact CD1-CE1 3.42Å; W47-F51 HydrophobicContact CG-CD1 4.36Å; W47-F51 HydrophobicContact CG-CE1 4.25Å; W47-F51 AromaticContact NE1-CE1 3.75Å; W47-L202 HydrophobicContact CH2-CB 4.05Å; W47-E203 HydrophobicContact CH2-CG 4.2Å; W47-E203 HydrophobicContact CZ2-CG 3.69Å; W47-A206 HydrophobicContact CH2-CB 4.13Å; W47-A206 HydrophobicContact CZ3-CB 3.97Å; W47-M208 HydrophobicContact CD2-CE 4.12Å; W47-M208 HydrophobicContact CE3-CE 4.08Å; W47-M208 HydrophobicContact CH2-CE 4.05Å; W47-M208 HydrophobicContact CH2-SD 4Å; W47-M208 HydrophobicContact CZ2-CE 4.06Å; W47-M208 HydrophobicContact CZ2-SD 3.8Å; W47-M208 HydrophobicContact CZ3-CE 4.06Å
48P93.5Very high96.5Very high97 Ų9764.7 Ų64.763%0.6334%0.344SS*.THydrogen-bonded Turntrans-56.4126.4173.7-25.734.6000111.7G50P48-G50 PolarHBondContact O-N 3.44Å
49N94.5Very high96.5Very high140 Ų14063 Ų6375%0.74933%0.334SS*.THydrogen-bonded Turntrans64.88.8-172.4-55.1-43.5000115.7W47 Q53W47-N49 PolarHBondContact O-N 3.13Å; N49-Q53 HydrophobicContact CB-CB 3.98Å; N49-Q53 HydrophobicContact CB-CG 3.86Å; N49-Q53 WeakPolarHBondContact O-CG 3.26Å
50G96.8Very high96.5Very high10 Ų1063.7 Ų63.710%0.10333%0.334CS..SBendtrans78.1-161178.800000113.8T32 W47 P48T32-G50 WeakPolarHBondContact CB-O 3.5Å; T32-G50 PolarHBondContact OG1-O 3.22Å; W47-G50 PolarHBondContact O-N 3.31Å; P48-G50 PolarHBondContact O-N 3.44Å
51F97.2Very high96.4Very high35 Ų3567 Ų6715%0.15435%0.349CS..THydrogen-bonded Turntrans-78.5146.5-171.4-71.4-37.6000113.9P33 T36 E44 W47 Q53P33-F51 HydrophobicContact CB-CD1 4.31Å; P33-F51 HydrophobicContact CB-CE1 4.45Å; P33-F51 CarbonylContact O-C 3.54Å; P33-F51 VanDerWaalsContact O-CA 3.27Å; P33-F51 WeakPolarHBondContact O-CA 3.43Å; P33-F51 WeakPolarHBondContact O-CB 3.39Å; P33-F51 WeakPolarHBondContact O-CD1 3.45Å; T36-F51 HydrophobicContact CG2-CZ 3.89Å; E44-F51 VanDerWaalsContact CA-CZ 3.42Å; E44-F51 HydrophobicContact CB-CD2 3.67Å; E44-F51 HydrophobicContact CB-CE1 4.41Å; E44-F51 HydrophobicContact CB-CE2 3.47Å; E44-F51 VanDerWaalsContact CB-CE2 3.47Å; E44-F51 HydrophobicContact CB-CG 4.25Å; E44-F51 HydrophobicContact CB-CZ 3.87Å; E44-F51 HydrophobicContact CG-CB 4.41Å; E44-F51 HydrophobicContact CG-CD1 4.48Å; E44-F51 HydrophobicContact CG-CD2 3.69Å; E44-F51 HydrophobicContact CG-CE2 4.05Å; E44-F51 HydrophobicContact CG-CG 3.93Å; E44-F51 VanDerWaalsContact N-CZ 3.29Å; E44-F51 PolarHBondContact OE1-N 3.22Å; E44-F51 VanDerWaalsContact OE1-N 3.11Å; W47-F51 AromaticContact CD1-CD1 3.94Å; W47-F51 AromaticContact CD1-CE1 3.42Å; W47-F51 VanDerWaalsContact CD1-CE1 3.42Å; W47-F51 HydrophobicContact CG-CD1 4.36Å; W47-F51 HydrophobicContact CG-CE1 4.25Å; W47-F51 AromaticContact NE1-CE1 3.75Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.17Å
52G95.7Very high96.5Very high6 Ų662.1 Ų62.16%0.06232%0.318CS..THydrogen-bonded Turntrans69.915.3173.800000115.8T32 P33 R95T32-G52 PolarHBondContact OG1-N 3.1Å; P33-G52 PolarHBondContact O-N 3.43Å; G52-R95 WeakPolarHBondContact O-CD 3.28Å; G52-R95 PolarHBondContact O-NH1 3.34Å
53Q97.6Very high96.5Very high40 Ų4062.8 Ų62.819%0.18732%0.321CS..PPolyproline II helixtrans-94.6151.8-177.7-63.6-56.1-2400112.6R31 T32 N49 F51 D94R31-Q53 CarbonylContact C-O 3.5Å; R31-Q53 WeakPolarHBondContact CA-O 3.33Å; R31-Q53 WeakPolarHBondContact CB-O 3.39Å; T32-Q53 PolarHBondContact N-O 2.93Å; T32-Q53 PolarHBondContact OG1-N 2.95Å; N49-Q53 HydrophobicContact CB-CB 3.98Å; N49-Q53 HydrophobicContact CB-CG 3.86Å; N49-Q53 WeakPolarHBondContact O-CG 3.26Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.17Å; Q53-D94 PolarHBondContact NE2-OD2 3.19Å; Q53-D94 VanDerWaalsContact NE2-OD2 3.16Å; Q53-D94 VanDerWaalsContact OE1-CB 3.32Å
54L97Very high96.4Very high18 Ų1863.7 Ų63.79%0.09433%0.325CS..BIsolated β-bridgetrans-67.9131.4177.3-167.574000110.1E30 C59 R95 N98 S99E30-L54 WeakPolarHBondContact O-CD1 3.49Å; L54-C59 HydrophobicContact CD2-CB 4.01Å; L54-R95 HydrophobicContact CB-CB 4.29Å; L54-N98 HydrophobicContact CB-CB 4.41Å; L54-N98 HydrophobicContact CD2-CB 3.77Å; L54-S99 VanDerWaalsContact CD1-OG 3.25Å; L54-S99 WeakPolarHBondContact CD1-OG 3.47Å
55T96.3Very high96.3Very high30 Ų3060 Ų6018%0.18431%0.309CS..PPolyproline II helixtrans-80.5164.7174.168.30000110.6E30 T32 K57 G58 C59E30-T55 HydrophobicContact CG-CG2 4.47Å; E30-T55 PolarHBondContact O-N 3.07Å; E30-T55 PolarHBondContact O-OG1 2.69Å; E30-T55 PolarHBondContact OE1-OG1 2.92Å; T32-T55 HydrophobicContact CG2-CG2 4.07Å; T55-K57 VanDerWaalsContact C-N 3.29Å; T55-K57 PolarHBondContact O-N 3.38Å; T55-G58 WeakPolarHBondContact O-CA 3.46Å; T55-G58 PolarHBondContact O-N 2.88Å; T55-G58 VanDerWaalsContact O-N 3.08Å; T55-G58 PolarHBondContact OG1-N 3.44Å; T55-C59 PolarHBondContact O-N 3.24Å
56K95.9Very high96.3Very high167 Ų16753 Ų5373%0.72627%0.272SS*.Hα-helixtrans-55.5-47171.6-177.8-177.4174.5-170.30111.1G58 C59 E60K56-G58 VanDerWaalsContact C-N 3.29Å; K56-G58 PolarHBondContact O-N 2.83Å; K56-C59 WeakPolarHBondContact O-CB 3.25Å; K56-C59 PolarHBondContact O-N 3.02Å; K56-E60 WeakPolarHBondContact CE-OE1 3.39Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 3.32Å
57K95.3Very high96.1Very high89 Ų8954 Ų5439%0.38727%0.271SS..Hα-helixtrans-58.6-39.6174.1178.7174.3168.5-148.60112E30 T55 C59 E60 Q61E30-K57 VanDerWaalsContact OE2-CD 3.26Å; E30-K57 WeakPolarHBondContact OE2-CD 3.23Å; E30-K57 WeakPolarHBondContact OE2-CE 3.44Å; E30-K57 IonicContact OE2-NZ 2.7Å; E30-K57 PolarHBondContact OE2-NZ 3.26Å; T55-K57 VanDerWaalsContact C-N 3.29Å; T55-K57 PolarHBondContact O-N 3.38Å; K57-C59 VanDerWaalsContact C-N 3.34Å; K57-C59 PolarHBondContact O-N 3.06Å; K57-E60 PolarHBondContact O-N 3.45Å; K57-Q61 VanDerWaalsContact O-CG 3.27Å; K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 3.39Å
58G96.6Very high96.1Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-60.8-38.8172.500000113.6E30 T55 K56 Q62E30-G58 VanDerWaalsContact N-CA 3.33Å; E30-G58 WeakPolarHBondContact O-CA 3.42Å; T55-G58 WeakPolarHBondContact O-CA 3.46Å; T55-G58 PolarHBondContact O-N 2.88Å; T55-G58 VanDerWaalsContact O-N 3.08Å; T55-G58 PolarHBondContact OG1-N 3.44Å; K56-G58 VanDerWaalsContact C-N 3.29Å; K56-G58 PolarHBondContact O-N 2.83Å; G58-Q62 VanDerWaalsContact O-CG 3.27Å; G58-Q62 WeakPolarHBondContact O-CG 3.43Å; G58-Q62 PolarHBondContact O-N 2.9Å
59C97.3Very high96.1Very high44 Ų4454.3 Ų54.330%0.29727%0.265SS..Hα-helixtrans-68.3-41.3173.4-175.60000112.1L54 T55 K56 K57 Q61 Q62 Y63 C102L54-C59 HydrophobicContact CD2-CB 4.01Å; T55-C59 PolarHBondContact O-N 3.24Å; K56-C59 WeakPolarHBondContact O-CB 3.25Å; K56-C59 PolarHBondContact O-N 3.02Å; K57-C59 VanDerWaalsContact C-N 3.34Å; K57-C59 PolarHBondContact O-N 3.06Å; C59-Q61 PolarHBondContact O-N 3.2Å; C59-Q62 PolarHBondContact O-N 3.01Å; C59-Q62 VanDerWaalsContact O-N 3.16Å; C59-Y63 WeakPolarHBondContact O-CB 3.49Å; C59-Y63 PolarHBondContact O-N 3.07Å; C59-C102 VanDerWaalsContact CA-SG 3.58Å; C59-C102 HydrophobicContact CB-CB 4.08Å; C59-C102 WeakPolarHBondContact CB-SG 3.45Å; C59-C102 WeakPolarHBondContact O-CB 3.37Å; C59-C102 WeakPolarHBondContact SG-CB 3.44Å; C59-C102 CovalentContact SG-SG 2.05Å; C59-C102 PolarHBondContact SG-SG 2.92Å
60E96.7Very high96Very high105 Ų10550.7 Ų50.749%0.49124%0.241SC..Hα-helixtrans-60.4-43.7175.9-69.5165.218000111.7K56 K57 Q62 Y63 E64K56-E60 WeakPolarHBondContact CE-OE1 3.39Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 3.32Å; K57-E60 PolarHBondContact O-N 3.45Å; E60-Q62 VanDerWaalsContact C-N 3.28Å; E60-Q62 PolarHBondContact O-N 3.37Å; E60-Y63 PolarHBondContact O-N 3.3Å; E60-E64 WeakPolarHBondContact O-CB 3.47Å; E60-E64 PolarHBondContact O-N 3.43Å
61Q97Very high95.8Very high78 Ų7858.4 Ų58.436%0.36428%0.275SS..Hα-helixtrans-57.5-40.2174-72.6166.2-8.300112.6K57 C59 L65K57-Q61 VanDerWaalsContact O-CG 3.27Å; K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 3.39Å; C59-Q61 PolarHBondContact O-N 3.2Å; Q61-L65 PolarHBondContact O-N 3.32Å
62Q97.7Very high95.5Very high12 Ų1264.2 Ų64.26%0.05630%0.296CS..Hα-helixtrans-75.2-39.1-179.9-69.3-67-5800111.3F26 R27 G58 C59 E60 E64 L65 G66 C102 T103F26-Q62 VanDerWaalsContact CD2-OE1 3.29Å; F26-Q62 VanDerWaalsContact CE2-OE1 3.26Å; R27-Q62 PolarHBondContact O-NE2 3.16Å; G58-Q62 VanDerWaalsContact O-CG 3.27Å; G58-Q62 WeakPolarHBondContact O-CG 3.43Å; G58-Q62 PolarHBondContact O-N 2.9Å; C59-Q62 PolarHBondContact O-N 3.01Å; C59-Q62 VanDerWaalsContact O-N 3.16Å; E60-Q62 VanDerWaalsContact C-N 3.28Å; E60-Q62 PolarHBondContact O-N 3.37Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 3.42Å; Q62-L65 WeakPolarHBondContact O-CB 2.9Å; Q62-L65 PolarHBondContact O-N 3.24Å; Q62-G66 PolarHBondContact O-N 2.89Å; Q62-C102 HydrophobicContact CB-CB 3.77Å; Q62-T103 WeakPolarHBondContact CB-OG1 3.31Å; Q62-T103 VanDerWaalsContact O-CA 3.23Å; Q62-T103 WeakPolarHBondContact O-CA 3.38Å; Q62-T103 PolarHBondContact O-OG1 3.32Å; Q62-T103 PolarHBondContact OE1-OG1 3.12Å
63Y96.4Very high95.2Very high70 Ų7064.9 Ų64.928%0.27530%0.296SS..Hα-helixtrans-57.9-46.9172.1-178.2-96.2000111.6C59 E60 L65 G66 L67 C102 A105 G106C59-Y63 WeakPolarHBondContact O-CB 3.49Å; C59-Y63 PolarHBondContact O-N 3.07Å; E60-Y63 PolarHBondContact O-N 3.3Å; Y63-L65 PolarHBondContact O-N 2.88Å; Y63-G66 VanDerWaalsContact O-CA 3.32Å; Y63-G66 WeakPolarHBondContact O-CA 3.24Å; Y63-G66 PolarHBondContact O-N 2.6Å; Y63-L67 HydrophobicContact CD1-CD1 4.11Å; Y63-L67 HydrophobicContact CD1-CG 4.37Å; Y63-L67 HydrophobicContact CE1-CD1 3.69Å; Y63-L67 HydrophobicContact CE1-CD2 4.3Å; Y63-L67 HydrophobicContact CE1-CG 4.04Å; Y63-L67 PolarHBondContact O-N 3.18Å; Y63-C102 WeakPolarHBondContact CA-O 3.26Å; Y63-A105 HydrophobicContact CD2-CB 4.05Å; Y63-A105 HydrophobicContact CE2-CB 4.24Å; Y63-A105 WeakPolarHBondContact CE2-O 3.32Å; Y63-G106 VanDerWaalsContact CD2-N 3.32Å; Y63-G106 VanDerWaalsContact CE2-CA 3.43Å
64E96Very high94.7Very high92 Ų9263.9 Ų63.943%0.4330%0.296SS..Hα-helixtrans-60.9-42.2175.2-178.857.7-150.600112.1E60 Q62 G66 L67 Q68E60-E64 WeakPolarHBondContact O-CB 3.47Å; E60-E64 PolarHBondContact O-N 3.43Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 3.42Å; E64-G66 VanDerWaalsContact C-N 3.25Å; E64-G66 PolarHBondContact O-N 3.19Å; E64-L67 PolarHBondContact O-N 2.88Å; E64-Q68 WeakPolarHBondContact O-CG 3.35Å; E64-Q68 PolarHBondContact O-N 3.07Å; E64-Q68 PolarHBondContact OE1-NE2 3.16Å
65L96.2Very high94.3Very high28 Ų2870.7 Ų70.715%0.14733%0.333CS..Hα-helixtrans-56.9-41.4170.6173.664.4000111.3F26 Q61 Q62 Y63 Q68 L69 T103F26-L65 HydrophobicContact CB-CD2 3.9Å; F26-L65 HydrophobicContact CD1-CD2 4.23Å; F26-L65 HydrophobicContact CD2-CD2 3.89Å; F26-L65 HydrophobicContact CE2-CD2 4.48Å; F26-L65 HydrophobicContact CG-CD2 3.75Å; Q61-L65 PolarHBondContact O-N 3.32Å; Q62-L65 WeakPolarHBondContact O-CB 2.9Å; Q62-L65 PolarHBondContact O-N 3.24Å; Y63-L65 PolarHBondContact O-N 2.88Å; L65-Q68 PolarHBondContact O-N 3.13Å; L65-L69 HydrophobicContact CD1-CD1 4.42Å; L65-L69 HydrophobicContact CD1-CG 4.25Å; L65-L69 HydrophobicContact CG-CD1 4.21Å; L65-L69 HydrophobicContact CG-CG 4.45Å; L65-L69 VanDerWaalsContact O-CG 3.26Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.5Å; L65-T103 HydrophobicContact CD2-CG2 4.45Å; L65-T103 HydrophobicContact CG-CG2 4.38Å
66G94.7Very high93.9Very high0 Ų071.5 Ų71.50%034%0.336CS..Hα-helixtrans-57.1-48174.500000113Q62 Y63 E64 Q68 L69 R70 T103 L107Q62-G66 PolarHBondContact O-N 2.89Å; Y63-G66 VanDerWaalsContact O-CA 3.32Å; Y63-G66 WeakPolarHBondContact O-CA 3.24Å; Y63-G66 PolarHBondContact O-N 2.6Å; E64-G66 VanDerWaalsContact C-N 3.25Å; E64-G66 PolarHBondContact O-N 3.19Å; G66-Q68 VanDerWaalsContact C-N 3.35Å; G66-Q68 PolarHBondContact O-N 3.22Å; G66-L69 PolarHBondContact O-N 3.43Å; G66-R70 PolarHBondContact O-N 3.11Å; G66-T103 VanDerWaalsContact CA-O 3.22Å; G66-T103 WeakPolarHBondContact CA-O 3.34Å; G66-L107 WeakPolarHBondContact O-CA 3.29Å
67L93.8Very high93.6Very high59 Ų5965 Ų6531%0.30931%0.309SS..Hα-helixtrans-59.8-44.7176-64.8177.4000111.6Y63 E64 L69 R70 Q71 G106 A109Y63-L67 HydrophobicContact CD1-CD1 4.11Å; Y63-L67 HydrophobicContact CD1-CG 4.37Å; Y63-L67 HydrophobicContact CE1-CD1 3.69Å; Y63-L67 HydrophobicContact CE1-CD2 4.3Å; Y63-L67 HydrophobicContact CE1-CG 4.04Å; Y63-L67 PolarHBondContact O-N 3.18Å; E64-L67 PolarHBondContact O-N 2.88Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.37Å; L67-R70 WeakPolarHBondContact O-CB 3.41Å; L67-R70 PolarHBondContact O-N 3.35Å; L67-R70 VanDerWaalsContact O-N 3.16Å; L67-Q71 PolarHBondContact O-N 3.07Å; L67-G106 WeakPolarHBondContact CD2-O 3.45Å; L67-A109 HydrophobicContact CD2-CB 4Å
68Q95Very high93.4Very high97 Ų9763 Ų6345%0.45331%0.307SS..Hα-helixtrans-64.1-37.3177.4-68.2174.314.500112.2E64 L65 G66 R72E64-Q68 WeakPolarHBondContact O-CG 3.35Å; E64-Q68 PolarHBondContact O-N 3.07Å; E64-Q68 PolarHBondContact OE1-NE2 3.16Å; L65-Q68 PolarHBondContact O-N 3.13Å; G66-Q68 VanDerWaalsContact C-N 3.35Å; G66-Q68 PolarHBondContact O-N 3.22Å; Q68-R72 VanDerWaalsContact O-CB 3.29Å; Q68-R72 WeakPolarHBondContact O-CB 3.21Å; Q68-R72 PolarHBondContact O-N 2.97Å
69L94Very high93Very high20 Ų2068 Ų6811%0.10533%0.33CS..Hα-helixtrans-66.5-40.4173.3-70.1175.4000111.2K24 L65 G66 L67 R72 Y73 T103 L107K24-L69 HydrophobicContact CD-CD2 4.01Å; K24-L69 HydrophobicContact CG-CD2 4Å; L65-L69 HydrophobicContact CD1-CD1 4.42Å; L65-L69 HydrophobicContact CD1-CG 4.25Å; L65-L69 HydrophobicContact CG-CD1 4.21Å; L65-L69 HydrophobicContact CG-CG 4.45Å; L65-L69 VanDerWaalsContact O-CG 3.26Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.5Å; G66-L69 PolarHBondContact O-N 3.43Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.37Å; L69-R72 PolarHBondContact O-N 3.34Å; L69-Y73 HydrophobicContact CB-CD2 4.42Å; L69-Y73 HydrophobicContact CD2-CD2 3.86Å; L69-Y73 HydrophobicContact CD2-CE2 3.7Å; L69-Y73 WeakPolarHBondContact O-CB 3.34Å; L69-Y73 WeakPolarHBondContact O-CD2 3.41Å; L69-Y73 PolarHBondContact O-N 2.97Å; L69-T103 HydrophobicContact CD1-CG2 3.98Å; L69-L107 HydrophobicContact CB-CD1 3.87Å
70R92.5Very high92.6Very high65 Ų6573 Ų7325%0.24534%0.343CS..Hα-helixtrans-62.6-45174.8-17854.7177.517110.4111.4G66 L67 R72 G74 L77 S78 L107G66-R70 PolarHBondContact O-N 3.11Å; L67-R70 WeakPolarHBondContact O-CB 3.41Å; L67-R70 PolarHBondContact O-N 3.35Å; L67-R70 VanDerWaalsContact O-N 3.16Å; R70-R72 VanDerWaalsContact C-N 3.29Å; R70-R72 PolarHBondContact O-N 3.48Å; R70-G74 WeakPolarHBondContact O-CA 3.28Å; R70-G74 PolarHBondContact O-N 3.12Å; R70-L77 PolarHBondContact NH1-O 3.09Å; R70-S78 PolarHBondContact NH1-O 3.27Å; R70-L107 HydrophobicContact CB-CD1 4.04Å; R70-L107 VanDerWaalsContact CD-O 3.3Å; R70-L107 WeakPolarHBondContact CD-O 3.37Å; R70-L107 WeakPolarHBondContact CG-O 3.31Å
71Q92.1Very high92.3Very high172 Ų17270.3 Ų70.380%0.80433%0.328SS*.Hα-helixtrans-61-39.3176.9-171.6-176.415.500111.8L67L67-Q71 PolarHBondContact O-N 3.07Å
72R90.9Very high92.1Very high157 Ų15769 Ų6959%0.59233%0.326SS*.Hα-helixtrans-84.1-31.1-175.6-171.7172.9-178.297.36.5114.3Q68 L69 R70Q68-R72 VanDerWaalsContact O-CB 3.29Å; Q68-R72 WeakPolarHBondContact O-CB 3.21Å; Q68-R72 PolarHBondContact O-N 2.97Å; L69-R72 PolarHBondContact O-N 3.34Å; R70-R72 VanDerWaalsContact C-N 3.29Å; R70-R72 PolarHBondContact O-N 3.48Å
73Y89.6Confident91.7Very high20 Ų2071.8 Ų71.88%0.07835%0.35CS..Hα-helixtrans-125.113.1-170.7-57.9-66.9000113.4C22 K24 L69 D75 L76 Q303C22-Y73 HydrophobicContact CB-CD1 4.29Å; C22-Y73 HydrophobicContact CB-CE1 4.17Å; C22-Y73 VanDerWaalsContact SG-CZ 3.59Å; K24-Y73 HydrophobicContact CD-CE2 4.47Å; K24-Y73 WeakPolarHBondContact CE-OH 3.31Å; K24-Y73 PolarHBondContact NZ-OH 3.36Å; L69-Y73 HydrophobicContact CB-CD2 4.42Å; L69-Y73 HydrophobicContact CD2-CD2 3.86Å; L69-Y73 HydrophobicContact CD2-CE2 3.7Å; L69-Y73 WeakPolarHBondContact O-CB 3.34Å; L69-Y73 WeakPolarHBondContact O-CD2 3.41Å; L69-Y73 PolarHBondContact O-N 2.97Å; Y73-D75 PolarHBondContact O-N 2.85Å; Y73-D75 VanDerWaalsContact O-N 3.17Å; Y73-L76 HydrophobicContact CD1-CD1 3.68Å; Y73-L76 HydrophobicContact CG-CD1 4.33Å; Y73-L76 WeakPolarHBondContact O-CB 3.33Å; Y73-L76 PolarHBondContact O-N 2.61Å; Y73-Q303 PolarHBondContact OH-OE1 2.88Å; Y73-Q303 VanDerWaalsContact OH-OE1 3.12Å
74G88Confident91.4Very high18 Ų1873.2 Ų73.219%0.18637%0.37CS..G310 helixtrans-53.7-35.3178.500000112.9R70 L76 L77R70-G74 WeakPolarHBondContact O-CA 3.28Å; R70-G74 PolarHBondContact O-N 3.12Å; G74-L76 PolarHBondContact O-N 3.41Å; G74-L77 PolarHBondContact O-N 3.4Å
75D88Confident91.1Very high161 Ų16172 Ų7286%0.86137%0.365SS*.G310 helixtrans-71.6-13.1177.9-61-24.4000114.3Y73Y73-D75 PolarHBondContact O-N 2.85Å; Y73-D75 VanDerWaalsContact O-N 3.17Å
76L88.9Confident90.9Very high48 Ų4872.3 Ų72.325%0.25137%0.366SS..G310 helixtrans-91.3-16.9175.1-67.2179.4000113.1C19 C22 Y73 G74C19-L76 VanDerWaalsContact C-CD2 3.48Å; C19-L76 HydrophobicContact CB-CD1 4.24Å; C19-L76 HydrophobicContact CB-CD2 4.11Å; C19-L76 WeakPolarHBondContact O-CD2 3.48Å; C22-L76 HydrophobicContact CB-CD1 4.02Å; Y73-L76 HydrophobicContact CD1-CD1 3.68Å; Y73-L76 HydrophobicContact CG-CD1 4.33Å; Y73-L76 WeakPolarHBondContact O-CB 3.33Å; Y73-L76 PolarHBondContact O-N 2.61Å; G74-L76 PolarHBondContact O-N 3.41Å
77L89.8Confident90.7Very high29 Ų2979.8 Ų79.815%0.15240%0.395CS..SBendtrans-130.5131-167-63.4175.1000110.1R70 G74 E85 I86 L107R70-L77 PolarHBondContact NH1-O 3.09Å; G74-L77 PolarHBondContact O-N 3.4Å; L77-E85 HydrophobicContact CD2-CB 4.05Å; L77-I86 HydrophobicContact CD2-CB 4.43Å; L77-L107 HydrophobicContact CD1-CD1 4.05Å; L77-L107 HydrophobicContact CD1-CD2 4.12Å; L77-L107 HydrophobicContact CD1-CG 4.36Å
78S90.2Very high90.6Very high49 Ų4978 Ų7834%0.34339%0.387SS..  trans-52.3151.6168.1-71.50000111R70 R80 E85R70-S78 PolarHBondContact NH1-O 3.27Å; S78-R80 CarbonylContact C-O 3.25Å; S78-R80 VanDerWaalsContact CB-O 3.31Å; S78-R80 WeakPolarHBondContact CB-O 3.44Å; S78-R80 PolarHBondContact O-N 3.23Å; S78-E85 VanDerWaalsContact CB-OE2 3.26Å; S78-E85 WeakPolarHBondContact CB-OE2 3.33Å; S78-E85 PolarHBondContact N-OE2 2.94Å; S78-E85 PolarHBondContact OG-OE1 2.93Å; S78-E85 PolarHBondContact OG-OE2 3.16Å
79E88.5Confident90.4Very high104 Ų10475.8 Ų75.849%0.48638%0.378SS..SBendtrans-60.3-31.7178.5-174.4176.1-168.800112.6S111E79-S111 PolarHBondContact OE1-OG 2.68Å
80R88.6Confident90.1Very high150 Ų15075.1 Ų75.157%0.56638%0.375SS*.SBendtrans-106.7156.4172.4-67.6-177.6177.3166.2-0.7110.2S78 V82S78-R80 CarbonylContact C-O 3.25Å; S78-R80 VanDerWaalsContact CB-O 3.31Å; S78-R80 WeakPolarHBondContact CB-O 3.44Å; S78-R80 PolarHBondContact O-N 3.23Å; R80-V82 PolarHBondContact O-N 3.5Å
81Y90.3Very high89.6Confident48 Ų4873.1 Ų73.119%0.18837%0.371CS..  trans-59.8127.7176.3164.4-101000111.1A83 I86 F108 Q123 V125 P126Y81-A83 HydrophobicContact CE1-CB 4.17Å; Y81-A83 WeakPolarHBondContact OH-CA 3.49Å; Y81-A83 WeakPolarHBondContact OH-CB 3.43Å; Y81-I86 HydrophobicContact CD2-CG2 3.55Å; Y81-I86 HydrophobicContact CE2-CG2 3.5Å; Y81-I86 VanDerWaalsContact CE2-CG2 3.5Å; Y81-F108 HydrophobicContact CD2-CZ 4.49Å; Y81-Q123 PolarHBondContact O-NE2 3.35Å; Y81-V125 HydrophobicContact CD2-CB 4.34Å; Y81-V125 HydrophobicContact CD2-CG1 3.67Å; Y81-V125 HydrophobicContact CD2-CG2 3.98Å; Y81-V125 HydrophobicContact CE2-CG1 3.8Å; Y81-V125 HydrophobicContact CG-CG1 4.4Å; Y81-V125 HydrophobicContact CG-CG2 3.95Å; Y81-P126 WeakPolarHBondContact OH-CD 3.31Å
82V91.7Very high89.3Confident51 Ų5166.7 Ų66.731%0.30934%0.342SS..  trans-123123170.71780000107.9R80 S84 E85R80-V82 PolarHBondContact O-N 3.5Å; V82-S84 WeakPolarHBondContact CG1-OG 3.37Å; V82-S84 PolarHBondContact O-N 3.2Å; V82-S84 VanDerWaalsContact O-N 3.08Å; V82-E85 HydrophobicContact CB-CB 4.42Å; V82-E85 HydrophobicContact CB-CG 3.91Å; V82-E85 HydrophobicContact CG1-CG 4.03Å; V82-E85 PolarHBondContact O-N 3.03Å
83A90.3Very high89.2Confident70 Ų7061.9 Ų61.958%0.57933%0.327SS*.THydrogen-bonded Turntrans-59.8-26.1-171.200000114.8Y81Y81-A83 HydrophobicContact CE1-CB 4.17Å; Y81-A83 WeakPolarHBondContact OH-CA 3.49Å; Y81-A83 WeakPolarHBondContact OH-CB 3.43Å
84S90.3Very high89.3Confident99 Ų9964.8 Ų64.869%0.69234%0.343SS*.THydrogen-bonded Turntrans-81.3-14.8178.553.20000114.5V82V82-S84 WeakPolarHBondContact CG1-OG 3.37Å; V82-S84 PolarHBondContact O-N 3.2Å; V82-S84 VanDerWaalsContact O-N 3.08Å
85E90.6Very high89.7Confident68 Ų6865.8 Ų65.832%0.31834%0.342SS..THydrogen-bonded Turntrans-92.6-31.3-172.5-65.8-179.5175.800113L77 S78 V82L77-E85 HydrophobicContact CD2-CB 4.05Å; S78-E85 VanDerWaalsContact CB-OE2 3.26Å; S78-E85 WeakPolarHBondContact CB-OE2 3.33Å; S78-E85 PolarHBondContact N-OE2 2.94Å; S78-E85 PolarHBondContact OG-OE1 2.93Å; S78-E85 PolarHBondContact OG-OE2 3.16Å; V82-E85 HydrophobicContact CB-CB 4.42Å; V82-E85 HydrophobicContact CB-CG 3.91Å; V82-E85 HydrophobicContact CG1-CG 4.03Å; V82-E85 PolarHBondContact O-N 3.03Å
86I91.2Very high90Very high34 Ų3459.3 Ų59.317%0.17431%0.308CS..  trans-132.3136-174.9-167.5174.1000111.9L77 Y81 V88 L104 L107 F108L77-I86 HydrophobicContact CD2-CB 4.43Å; Y81-I86 HydrophobicContact CD2-CG2 3.55Å; Y81-I86 HydrophobicContact CE2-CG2 3.5Å; Y81-I86 VanDerWaalsContact CE2-CG2 3.5Å; I86-V88 HydrophobicContact CD1-CG2 3.93Å; I86-V88 HydrophobicContact CG1-CG2 3.91Å; I86-L104 HydrophobicContact CD1-CD2 3.99Å; I86-L107 HydrophobicContact CD1-CD2 3.69Å; I86-F108 HydrophobicContact CD1-CE2 4.14Å; I86-F108 HydrophobicContact CD1-CZ 4.35Å; I86-F108 HydrophobicContact CG2-CZ 4.26Å
87Y90.9Very high90.2Very high156 Ų15659 Ų5961%0.61231%0.306SS*.  trans-124.2125.2170178.7-98.8000108.6L89 H128Y87-L89 HydrophobicContact CE1-CB 3.9Å; Y87-H128 AromaticContact CD2-CD2 3.83Å; Y87-H128 AromaticContact CE2-CD2 3.36Å; Y87-H128 WeakPolarHBondContact CE2-CD2 3.32Å; Y87-H128 AromaticContact CE2-CG 3.96Å; Y87-H128 AromaticContact CE2-NE2 3.81Å
88V92Very high90.5Very high21 Ų2161.1 Ų61.113%0.12732%0.318CS..  trans-117.8126.4-175.9-170.10000109.4I86 A100 L104 V125 V127 H128I86-V88 HydrophobicContact CD1-CG2 3.93Å; I86-V88 HydrophobicContact CG1-CG2 3.91Å; V88-A100 HydrophobicContact CG1-CB 4.21Å; V88-L104 HydrophobicContact CG1-CD1 4.19Å; V88-L104 HydrophobicContact CG2-CD1 4.09Å; V88-L104 HydrophobicContact CG2-CD2 3.91Å; V88-V125 HydrophobicContact CG2-CG1 4.49Å; V88-V127 HydrophobicContact CG1-CG1 4.35Å; V88-V127 HydrophobicContact CG1-CG2 4.25Å; V88-H128 WeakPolarHBondContact O-CB 3.48Å; V88-H128 PolarHBondContact O-CD2 3.18Å; V88-H128 PolarHBondContact O-N 3.48Å
89L88.9Confident90.9Very high51 Ų5158.9 Ų58.927%0.26730%0.302SS..EExtended strand (participates in β ladder)trans-128.4123.7179.7-173.768.7000109.9Y87 H128 T130 V141 L143Y87-L89 HydrophobicContact CE1-CB 3.9Å; L89-H128 WeakPolarHBondContact CA-O 3.37Å; L89-H128 HydrophobicContact CD1-CB 3.92Å; L89-T130 HydrophobicContact CD1-CG2 3.71Å; L89-T130 HydrophobicContact CD2-CG2 4.11Å; L89-T130 HydrophobicContact CG-CG2 4.09Å; L89-V141 HydrophobicContact CD2-CB 3.72Å; L89-V141 HydrophobicContact CD2-CG1 3.84Å; L89-V141 HydrophobicContact CD2-CG2 3.66Å; L89-L143 HydrophobicContact CD2-CD1 4.47Å
90A88.6Confident91.2Very high6 Ų654.1 Ų54.15%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-111.1153173.600000110.7I97 V127 H128 T129A90-I97 HydrophobicContact CB-CG1 4.15Å; A90-V127 HydrophobicContact CB-CG1 3.65Å; A90-H128 PolarHBondContact N-O 3.43Å; A90-T129 WeakPolarHBondContact O-CA 3.45Å
91S83Confident91.6Very high23 Ų2350.4 Ų50.416%0.16127%0.274CS..EExtended strand (participates in β ladder)trans-63.5151.8161.9880000109.1H93 T96S91-H93 PolarHBondContact O-N 3.49Å; S91-H93 PolarHBondContact OG-ND1 3.32Å; S91-T96 PolarHBondContact O-OG1 3.19Å; S91-T96 WeakPolarHBondContact OG-CG2 3.32Å; S91-T96 PolarHBondContact OG-OG1 2.7Å
92D85.5Confident91.8Very high37 Ų3748.8 Ų48.820%0.19827%0.27CS..SBendtrans-75.870.4176.6179.715.5000110.5T130 K132D92-T130 WeakPolarHBondContact CB-O 3.29Å; D92-K132 HydrophobicContact CB-CD 4.35Å; D92-K132 HydrophobicContact CB-CG 4.07Å; D92-K132 VanDerWaalsContact O-CD 3.24Å; D92-K132 WeakPolarHBondContact O-CD 3.46Å; D92-K132 WeakPolarHBondContact O-CE 3.34Å; D92-K132 PolarHBondContact O-NZ 3.38Å; D92-K132 WeakPolarHBondContact OD2-CB 3.49Å; D92-K132 WeakPolarHBondContact OD2-CD 3.15Å; D92-K132 VanDerWaalsContact OD2-CG 3.23Å; D92-K132 WeakPolarHBondContact OD2-CG 3.36Å; D92-K132 PolarHBondContact OD2-N 2.91Å
93H87.4Confident92Very high56 Ų5646.6 Ų46.626%0.25926%0.257SS..SBendtrans-138.3138.8167-63.590000108.5S91 R95 T96 I97S91-H93 PolarHBondContact O-N 3.49Å; S91-H93 PolarHBondContact OG-ND1 3.32Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 HydrophobicContact CB-CG 4.19Å; H93-R95 PolarHBondContact CD2-NH2 3.05Å; H93-R95 VanDerWaalsContact CD2-NH2 3.29Å; H93-R95 PolarHBondContact O-N 3.02Å; H93-T96 PolarHBondContact N-OG1 3.22Å; H93-T96 PolarHBondContact O-N 3.14Å; H93-T96 PolarHBondContact O-OG1 3.49Å; H93-I97 WeakPolarHBondContact O-CG1 3.47Å; H93-I97 PolarHBondContact O-N 2.9Å
94D93.2Very high92.2Very high81 Ų8144 Ų4443%0.43323%0.233SC..Hα-helixtrans-52.1-46.7-179-51.2-10.7000111.4Q53 T96 I97 N98Q53-D94 PolarHBondContact NE2-OD2 3.19Å; Q53-D94 VanDerWaalsContact NE2-OD2 3.16Å; Q53-D94 VanDerWaalsContact OE1-CB 3.32Å; D94-T96 VanDerWaalsContact C-N 3.29Å; D94-T96 PolarHBondContact O-N 2.98Å; D94-I97 PolarHBondContact O-N 3.34Å; D94-N98 VanDerWaalsContact O-CB 3.3Å; D94-N98 WeakPolarHBondContact O-CB 3.27Å; D94-N98 VanDerWaalsContact O-CG 3.3Å; D94-N98 PolarHBondContact O-N 2.81Å
95R94.9Very high92.4Very high40 Ų4040.5 Ų40.515%0.15121%0.21CC..Hα-helixtrans-58.5-34.2176.866.6176.2173.9-74.1-8.9114.6H28 G52 L54 H93 S99H28-R95 HydrophobicContact CB-CG 4.49Å; G52-R95 WeakPolarHBondContact O-CD 3.28Å; G52-R95 PolarHBondContact O-NH1 3.34Å; L54-R95 HydrophobicContact CB-CB 4.29Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 HydrophobicContact CB-CG 4.19Å; H93-R95 PolarHBondContact CD2-NH2 3.05Å; H93-R95 VanDerWaalsContact CD2-NH2 3.29Å; H93-R95 PolarHBondContact O-N 3.02Å; R95-S99 VanDerWaalsContact O-CB 3.23Å; R95-S99 WeakPolarHBondContact O-CB 3.15Å; R95-S99 PolarHBondContact O-N 3.49Å; R95-S99 VanDerWaalsContact O-N 3.08Å; R95-S99 PolarHBondContact O-OG 3.13Å
96T94.2Very high92.5Very high25 Ų2537.2 Ų37.215%0.15320%0.195CC..Hα-helixtrans-82.2-35.8179.745.50000111.7H28 S91 H93 D94 A100H28-T96 HydrophobicContact CB-CG2 4.03Å; S91-T96 PolarHBondContact O-OG1 3.19Å; S91-T96 WeakPolarHBondContact OG-CG2 3.32Å; S91-T96 PolarHBondContact OG-OG1 2.7Å; H93-T96 PolarHBondContact N-OG1 3.22Å; H93-T96 PolarHBondContact O-N 3.14Å; H93-T96 PolarHBondContact O-OG1 3.49Å; D94-T96 VanDerWaalsContact C-N 3.29Å; D94-T96 PolarHBondContact O-N 2.98Å; T96-A100 PolarHBondContact O-N 3.07Å
97I94.7Very high92.5Very high42 Ų4236.1 Ų36.122%0.21519%0.189CC..Hα-helixtrans-65.8-50.8174.9-62.7165.7000109.2A90 H93 D94 S99 A100 T101 V127 T129A90-I97 HydrophobicContact CB-CG1 4.15Å; H93-I97 WeakPolarHBondContact O-CG1 3.47Å; H93-I97 PolarHBondContact O-N 2.9Å; D94-I97 PolarHBondContact O-N 3.34Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 2.7Å; I97-A100 WeakPolarHBondContact O-CB 3.45Å; I97-A100 PolarHBondContact O-N 3.32Å; I97-A100 VanDerWaalsContact O-N 3.12Å; I97-T101 PolarHBondContact O-N 2.52Å; I97-T101 PolarHBondContact O-OG1 3.08Å; I97-T101 VanDerWaalsContact O-OG1 3.08Å; I97-V127 HydrophobicContact CG2-CG1 4.49Å; I97-T129 HydrophobicContact CD1-CG2 3.66Å; I97-T129 HydrophobicContact CG1-CG2 3.78Å
98N96.1Very high92.5Very high73 Ų7329.8 Ų29.839%0.3917%0.165SC..Hα-helixtrans-62.1-37.8177.6-69.1-14.3000111.9L54 D94 T101 C102L54-N98 HydrophobicContact CB-CB 4.41Å; L54-N98 HydrophobicContact CD2-CB 3.77Å; D94-N98 VanDerWaalsContact O-CB 3.3Å; D94-N98 WeakPolarHBondContact O-CB 3.27Å; D94-N98 VanDerWaalsContact O-CG 3.3Å; D94-N98 PolarHBondContact O-N 2.81Å; N98-T101 PolarHBondContact O-N 3.33Å; N98-C102 WeakPolarHBondContact O-CB 3.23Å; N98-C102 PolarHBondContact O-N 3.41Å; N98-C102 PolarHBondContact O-SG 3.12Å
99S97.1Very high92.2Very high1 Ų130.1 Ų30.11%0.00717%0.17CC..Hα-helixtrans-60.4-47.4173.2-69.20000111.8H28 G29 L54 R95 I97 T101 C102 T103H28-S99 VanDerWaalsContact CA-OG 3.24Å; H28-S99 WeakPolarHBondContact CA-OG 3.26Å; H28-S99 VanDerWaalsContact CB-OG 3.28Å; H28-S99 WeakPolarHBondContact CB-OG 3.42Å; G29-S99 PolarHBondContact N-OG 2.92Å; L54-S99 VanDerWaalsContact CD1-OG 3.25Å; L54-S99 WeakPolarHBondContact CD1-OG 3.47Å; R95-S99 VanDerWaalsContact O-CB 3.23Å; R95-S99 WeakPolarHBondContact O-CB 3.15Å; R95-S99 PolarHBondContact O-N 3.49Å; R95-S99 VanDerWaalsContact O-N 3.08Å; R95-S99 PolarHBondContact O-OG 3.13Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 2.7Å; S99-T101 VanDerWaalsContact C-N 3.32Å; S99-T101 PolarHBondContact O-N 3.02Å; S99-C102 PolarHBondContact O-N 2.64Å; S99-T103 PolarHBondContact O-N 3.1Å; S99-T103 PolarHBondContact O-OG1 3.23Å; S99-T103 VanDerWaalsContact O-OG1 3.08Å
100A96.2Very high91.4Very high4 Ų429.9 Ų29.93%0.03317%0.167CC..Hα-helixtrans-60.1-44.1176.900000111.1V88 T96 I97 C102 T103 L104 V127V88-A100 HydrophobicContact CG1-CB 4.21Å; T96-A100 PolarHBondContact O-N 3.07Å; I97-A100 WeakPolarHBondContact O-CB 3.45Å; I97-A100 PolarHBondContact O-N 3.32Å; I97-A100 VanDerWaalsContact O-N 3.12Å; A100-C102 PolarHBondContact O-N 3.26Å; A100-T103 PolarHBondContact O-N 2.91Å; A100-L104 WeakPolarHBondContact O-CB 3.07Å; A100-L104 WeakPolarHBondContact O-CD1 3.33Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.85Å; A100-V127 HydrophobicContact CB-CG1 3.91Å; A100-V127 HydrophobicContact CB-CG2 4Å
101T95.9Very high89.9Confident72 Ų7233.7 Ų33.744%0.44219%0.194SC..Hα-helixtrans-59.7-45.4175.7-55.40000112.3I97 N98 S99 L104 A105I97-T101 PolarHBondContact O-N 2.52Å; I97-T101 PolarHBondContact O-OG1 3.08Å; I97-T101 VanDerWaalsContact O-OG1 3.08Å; N98-T101 PolarHBondContact O-N 3.33Å; S99-T101 VanDerWaalsContact C-N 3.32Å; S99-T101 PolarHBondContact O-N 3.02Å; T101-L104 PolarHBondContact O-N 3.19Å; T101-A105 PolarHBondContact O-N 3.03Å
102C95.5Very high88.2Confident15 Ų1537.8 Ų37.810%0.10121%0.214CC..Hα-helixtrans-63.6-42.7176.7-63.30000111.6C59 Q62 Y63 N98 S99 A100 L104 A105 G106C59-C102 VanDerWaalsContact CA-SG 3.58Å; C59-C102 HydrophobicContact CB-CB 4.08Å; C59-C102 WeakPolarHBondContact CB-SG 3.45Å; C59-C102 WeakPolarHBondContact O-CB 3.37Å; C59-C102 WeakPolarHBondContact SG-CB 3.44Å; C59-C102 CovalentContact SG-SG 2.05Å; C59-C102 PolarHBondContact SG-SG 2.92Å; Q62-C102 HydrophobicContact CB-CB 3.77Å; Y63-C102 WeakPolarHBondContact CA-O 3.26Å; N98-C102 WeakPolarHBondContact O-CB 3.23Å; N98-C102 PolarHBondContact O-N 3.41Å; N98-C102 PolarHBondContact O-SG 3.12Å; S99-C102 PolarHBondContact O-N 2.64Å; A100-C102 PolarHBondContact O-N 3.26Å; C102-L104 VanDerWaalsContact C-N 3.34Å; C102-L104 PolarHBondContact O-N 3.11Å; C102-A105 WeakPolarHBondContact O-CB 3.21Å; C102-A105 PolarHBondContact O-N 3.08Å; C102-G106 PolarHBondContact O-N 3.17Å
103T95.8Very high86.6Confident5 Ų541.2 Ų41.23%0.03123%0.232CC..Hα-helixtrans-60.8-41.4174.2-61.10000112.3F26 Q62 L65 G66 L69 S99 A100 A105 G106 L107F26-T103 HydrophobicContact CZ-CG2 4.1Å; Q62-T103 WeakPolarHBondContact CB-OG1 3.31Å; Q62-T103 VanDerWaalsContact O-CA 3.23Å; Q62-T103 WeakPolarHBondContact O-CA 3.38Å; Q62-T103 PolarHBondContact O-OG1 3.32Å; Q62-T103 PolarHBondContact OE1-OG1 3.12Å; L65-T103 HydrophobicContact CD2-CG2 4.45Å; L65-T103 HydrophobicContact CG-CG2 4.38Å; G66-T103 VanDerWaalsContact CA-O 3.22Å; G66-T103 WeakPolarHBondContact CA-O 3.34Å; L69-T103 HydrophobicContact CD1-CG2 3.98Å; S99-T103 PolarHBondContact O-N 3.1Å; S99-T103 PolarHBondContact O-OG1 3.23Å; S99-T103 VanDerWaalsContact O-OG1 3.08Å; A100-T103 PolarHBondContact O-N 2.91Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-G106 PolarHBondContact O-N 2.85Å; T103-L107 WeakPolarHBondContact O-CB 3.21Å; T103-L107 PolarHBondContact O-N 3.48Å
104L94.8Very high84.7Confident14 Ų1447.7 Ų47.77%0.07326%0.263CS..Hα-helixtrans-68.6-34178.8-70.1165.6000112.6I86 V88 A100 T101 C102 G106 L107 F108 V125 V127I86-L104 HydrophobicContact CD1-CD2 3.99Å; V88-L104 HydrophobicContact CG1-CD1 4.19Å; V88-L104 HydrophobicContact CG2-CD1 4.09Å; V88-L104 HydrophobicContact CG2-CD2 3.91Å; A100-L104 WeakPolarHBondContact O-CB 3.07Å; A100-L104 WeakPolarHBondContact O-CD1 3.33Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.85Å; T101-L104 PolarHBondContact O-N 3.19Å; C102-L104 VanDerWaalsContact C-N 3.34Å; C102-L104 PolarHBondContact O-N 3.11Å; L104-G106 VanDerWaalsContact C-N 3.28Å; L104-G106 PolarHBondContact O-N 3.46Å; L104-L107 HydrophobicContact CD2-CD2 4.15Å; L104-L107 PolarHBondContact O-N 3.42Å; L104-F108 HydrophobicContact CD2-CD2 4.45Å; L104-F108 HydrophobicContact CD2-CE2 4.16Å; L104-F108 PolarHBondContact O-N 3.03Å; L104-V125 HydrophobicContact CB-CB 4.33Å; L104-V125 HydrophobicContact CD1-CB 3.92Å; L104-V125 HydrophobicContact CD1-CG1 3.83Å; L104-V125 HydrophobicContact CD2-CB 4.3Å; L104-V125 HydrophobicContact CD2-CG1 3.83Å; L104-V125 HydrophobicContact CG-CB 4.4Å; L104-V125 HydrophobicContact CG-CG1 4.32Å; L104-V127 HydrophobicContact CD1-CG2 3.58Å
105A93.1Very high82.5Confident26 Ų2647.3 Ų47.322%0.21527%0.271CS..Hα-helixtrans-62.8-34.8172.900000112.2Y63 T101 C102 T103 A109Y63-A105 HydrophobicContact CD2-CB 4.05Å; Y63-A105 HydrophobicContact CE2-CB 4.24Å; Y63-A105 WeakPolarHBondContact CE2-O 3.32Å; T101-A105 PolarHBondContact O-N 3.03Å; C102-A105 WeakPolarHBondContact O-CB 3.21Å; C102-A105 PolarHBondContact O-N 3.08Å; T103-A105 VanDerWaalsContact C-N 3.34Å; A105-A109 PolarHBondContact O-N 2.8Å
106G92.6Very high80.1Confident0 Ų048.8 Ų48.80%030%0.299CS..Hα-helixtrans-76.1-41.2172.200000112.7Y63 L67 C102 T103 L104 F108 A109Y63-G106 VanDerWaalsContact CD2-N 3.32Å; Y63-G106 VanDerWaalsContact CE2-CA 3.43Å; L67-G106 WeakPolarHBondContact CD2-O 3.45Å; C102-G106 PolarHBondContact O-N 3.17Å; T103-G106 PolarHBondContact O-N 2.85Å; L104-G106 VanDerWaalsContact C-N 3.28Å; L104-G106 PolarHBondContact O-N 3.46Å; G106-F108 VanDerWaalsContact C-N 3.31Å; G106-F108 PolarHBondContact O-N 3.48Å; G106-A109 WeakPolarHBondContact O-CB 3.21Å; G106-A109 PolarHBondContact O-N 2.98Å
107L92.7Very high77.9Confident11 Ų1152.4 Ų52.46%0.05832%0.317CS..Hα-helixtrans-62.2-37.4-177.8-177.861.1000113G66 L69 R70 L77 I86 T103 L104G66-L107 WeakPolarHBondContact O-CA 3.29Å; L69-L107 HydrophobicContact CB-CD1 3.87Å; R70-L107 HydrophobicContact CB-CD1 4.04Å; R70-L107 VanDerWaalsContact CD-O 3.3Å; R70-L107 WeakPolarHBondContact CD-O 3.37Å; R70-L107 WeakPolarHBondContact CG-O 3.31Å; L77-L107 HydrophobicContact CD1-CD1 4.05Å; L77-L107 HydrophobicContact CD1-CD2 4.12Å; L77-L107 HydrophobicContact CD1-CG 4.36Å; I86-L107 HydrophobicContact CD1-CD2 3.69Å; T103-L107 WeakPolarHBondContact O-CB 3.21Å; T103-L107 PolarHBondContact O-N 3.48Å; L104-L107 HydrophobicContact CD2-CD2 4.15Å; L104-L107 PolarHBondContact O-N 3.42Å
108F91.3Very high75.9Confident22 Ų2260.3 Ų60.310%0.09635%0.35CS..THydrogen-bonded Turntrans-111.127.5178.2-63.4-76.5000112.1Y81 I86 L104 G106 Q110 V125Y81-F108 HydrophobicContact CD2-CZ 4.49Å; I86-F108 HydrophobicContact CD1-CE2 4.14Å; I86-F108 HydrophobicContact CD1-CZ 4.35Å; I86-F108 HydrophobicContact CG2-CZ 4.26Å; L104-F108 HydrophobicContact CD2-CD2 4.45Å; L104-F108 HydrophobicContact CD2-CE2 4.16Å; L104-F108 PolarHBondContact O-N 3.03Å; G106-F108 VanDerWaalsContact C-N 3.31Å; G106-F108 PolarHBondContact O-N 3.48Å; F108-Q110 PolarHBondContact O-N 3.14Å; F108-V125 HydrophobicContact CD2-CG2 3.78Å; F108-V125 HydrophobicContact CE2-CG1 4.46Å; F108-V125 HydrophobicContact CE2-CG2 3.99Å
109A85Confident73.6Confident29 Ų2963.7 Ų63.724%0.2437%0.368CS..  trans-58.7123.6168.800000108.4L67 A105 G106L67-A109 HydrophobicContact CD2-CB 4Å; A105-A109 PolarHBondContact O-N 2.8Å; G106-A109 WeakPolarHBondContact O-CB 3.21Å; G106-A109 PolarHBondContact O-N 2.98Å
110Q71.2Confident71.2Confident45 Ų4568.2 Ų68.221%0.2139%0.39CS..  trans-78.6137-179.7-66-177.523.900108.7F108 N112 D113F108-Q110 PolarHBondContact O-N 3.14Å; Q110-N112 PolarHBondContact O-N 2.86Å; Q110-N112 VanDerWaalsContact O-N 3.09Å; Q110-D113 PolarHBondContact O-N 2.94Å
111S56.9Low69.3Low86 Ų8675.6 Ų75.660%0.60143%0.428SS*.THydrogen-bonded Turntrans-58.8-21.4175.852.80000112.7E79E79-S111 PolarHBondContact OE1-OG 2.68Å
112N48.2Very low67.9Low110 Ų11080.6 Ų80.659%0.58844%0.439SS*.THydrogen-bonded Turntrans-100.924-176.5-63.7-30.1000114.5Q110 E114 A115Q110-N112 PolarHBondContact O-N 2.86Å; Q110-N112 VanDerWaalsContact O-N 3.09Å; N112-E114 PolarHBondContact O-N 3.46Å; N112-A115 WeakPolarHBondContact O-CB 3.41Å; N112-A115 PolarHBondContact O-N 3.25Å
113D52.2Low67Low108 Ų10883.4 Ų83.458%0.57845%0.45SS*.THydrogen-bonded Turntrans-59.4-10.3169.6-81-9.3000112.5Q110 A115Q110-D113 PolarHBondContact O-N 2.94Å; D113-A115 VanDerWaalsContact C-N 3.32Å
114E47.4Very low66.6Low193 Ų19388.3 Ų88.390%0.90248%0.482SS*.THydrogen-bonded Turntrans-72.2-19168.5-63.5-167.4164.500114N112 G116N112-E114 PolarHBondContact O-N 3.46Å; E114-G116 PolarHBondContact O-N 3.17Å
115A46.7Very low66.4Low73 Ų7388.8 Ų88.860%0.60349%0.486SS*.SBendtrans-85.547.2-177.100000113.1N112 D113 N117N112-A115 WeakPolarHBondContact O-CB 3.41Å; N112-A115 PolarHBondContact O-N 3.25Å; D113-A115 VanDerWaalsContact C-N 3.32Å; A115-N117 WeakPolarHBondContact O-CB 3.47Å; A115-N117 PolarHBondContact O-N 3.44Å
116G45.4Very low66.4Low71 Ų7190.3 Ų90.373%0.73249%0.494SS*.  trans54.1-1.3154.600000120.1E114 K118E114-G116 PolarHBondContact O-N 3.17Å; G116-K118 VanDerWaalsContact C-N 3.34Å; G116-K118 PolarHBondContact O-N 3.5Å; G116-K118 VanDerWaalsContact O-N 3.08Å
117N47.5Very low66.4Low101 Ų10191.9 Ų91.954%0.5450%0.503SS..  trans-94.572.2-170-150.61.1000108.8A115 D119 M120A115-N117 WeakPolarHBondContact O-CB 3.47Å; A115-N117 PolarHBondContact O-N 3.44Å; N117-D119 PolarHBondContact O-N 3.4Å; N117-M120 PolarHBondContact O-N 3.11Å
118K52.2Low66.3Low207 Ų20795.5 Ų95.590%0.952%0.519SS*.THydrogen-bonded Turntrans-55.5-13.2175.5-69.6-179.6177.8177.10113.1G116G116-K118 VanDerWaalsContact C-N 3.34Å; G116-K118 PolarHBondContact O-N 3.5Å; G116-K118 VanDerWaalsContact O-N 3.08Å
119D48.5Very low65.8Low145 Ų14597.6 Ų97.678%0.77553%0.534SS*.THydrogen-bonded Turntrans-91.6-6.3179.1-65.7-28.1000114.4N117 L121N117-D119 PolarHBondContact O-N 3.4Å; D119-L121 PolarHBondContact O-N 2.92Å
120M46.5Very low65Low96 Ų9697 Ų9747%0.47353%0.528SS..SBendtrans-73.394.8166.9-92.4-169.167.200109.1N117 R122N117-M120 PolarHBondContact O-N 3.11Å; M120-R122 PolarHBondContact O-N 2.94Å; M120-R122 VanDerWaalsContact O-N 3.08Å
121L55.3Low64.5Low159 Ų15998.7 Ų98.783%0.83254%0.544SS*.  trans-43.7119.9164.1-70169.4000108.4D119 Q123D119-L121 PolarHBondContact O-N 2.92Å; L121-Q123 PolarHBondContact O-N 3.37Å; L121-Q123 VanDerWaalsContact O-N 3.15Å
122R67.3Low64.3Low177 Ų17798.9 Ų98.967%0.66853%0.534SS*.PPolyproline II helixtrans-47.7126.8171.4-73.3-177.5177.8165.8-1.7107.7M120 P124M120-R122 PolarHBondContact O-N 2.94Å; M120-R122 VanDerWaalsContact O-N 3.08Å; R122-P124 VanDerWaalsContact O-CD 3.32Å; R122-P124 WeakPolarHBondContact O-CD 3.49Å
123Q75.8Confident64.1Low73 Ų7399.3 Ų99.334%0.34154%0.54SS..PPolyproline II helixtrans-56117.8-176.7-173.1-179.716.600108.7Y81 L121 V125Y81-Q123 PolarHBondContact O-NE2 3.35Å; L121-Q123 PolarHBondContact O-N 3.37Å; L121-Q123 VanDerWaalsContact O-N 3.15Å; Q123-V125 PolarHBondContact O-N 3.39Å
124P87.1Confident63.3Low108 Ų108100.9 Ų100.970%0.70154%0.542SS*.PPolyproline II helixtrans-68.4134.5-178.726.9-33.1000109.3R122R122-P124 VanDerWaalsContact O-CD 3.32Å; R122-P124 WeakPolarHBondContact O-CD 3.49Å
125V92.4Very high63Low24 Ų24103.3 Ų103.315%0.14554%0.543CS..  trans-114.2123174.6-178.50000108.6Y81 V88 L104 F108 Q123 V127Y81-V125 HydrophobicContact CD2-CB 4.34Å; Y81-V125 HydrophobicContact CD2-CG1 3.67Å; Y81-V125 HydrophobicContact CD2-CG2 3.98Å; Y81-V125 HydrophobicContact CE2-CG1 3.8Å; Y81-V125 HydrophobicContact CG-CG1 4.4Å; Y81-V125 HydrophobicContact CG-CG2 3.95Å; V88-V125 HydrophobicContact CG2-CG1 4.49Å; L104-V125 HydrophobicContact CB-CB 4.33Å; L104-V125 HydrophobicContact CD1-CB 3.92Å; L104-V125 HydrophobicContact CD1-CG1 3.83Å; L104-V125 HydrophobicContact CD2-CB 4.3Å; L104-V125 HydrophobicContact CD2-CG1 3.83Å; L104-V125 HydrophobicContact CG-CB 4.4Å; L104-V125 HydrophobicContact CG-CG1 4.32Å; F108-V125 HydrophobicContact CD2-CG2 3.78Å; F108-V125 HydrophobicContact CE2-CG1 4.46Å; F108-V125 HydrophobicContact CE2-CG2 3.99Å; Q123-V125 PolarHBondContact O-N 3.39Å; V125-V127 PolarHBondContact O-N 2.86Å
126P93.1Very high62.4Low59 Ų59104.4 Ų104.438%0.38354%0.539SS..  trans-60.6132.9-178.7-25.334.8000112.9Y81Y81-P126 WeakPolarHBondContact OH-CD 3.31Å
127V92.5Very high61.9Low33 Ų33109 Ų10920%0.255%0.545CS..  trans-112.1110.4169.2179.90000107.9V88 A90 I97 A100 L104 V125V88-V127 HydrophobicContact CG1-CG1 4.35Å; V88-V127 HydrophobicContact CG1-CG2 4.25Å; A90-V127 HydrophobicContact CB-CG1 3.65Å; I97-V127 HydrophobicContact CG2-CG1 4.49Å; A100-V127 HydrophobicContact CB-CG1 3.91Å; A100-V127 HydrophobicContact CB-CG2 4Å; L104-V127 HydrophobicContact CD1-CG2 3.58Å; V125-V127 PolarHBondContact O-N 2.86Å
128H89.9Confident61.3Low86 Ų86112.9 Ų112.940%0.39856%0.558SS.*EExtended strand (participates in β ladder)trans-78.7151.8175-60.1-78.3000110.4Y87 V88 L89 A90Y87-H128 AromaticContact CD2-CD2 3.83Å; Y87-H128 AromaticContact CE2-CD2 3.36Å; Y87-H128 WeakPolarHBondContact CE2-CD2 3.32Å; Y87-H128 AromaticContact CE2-CG 3.96Å; Y87-H128 AromaticContact CE2-NE2 3.81Å; V88-H128 WeakPolarHBondContact O-CB 3.48Å; V88-H128 PolarHBondContact O-CD2 3.18Å; V88-H128 PolarHBondContact O-N 3.48Å; L89-H128 WeakPolarHBondContact CA-O 3.37Å; L89-H128 HydrophobicContact CD1-CB 3.92Å; A90-H128 PolarHBondContact N-O 3.43Å
129T81Confident60.6Low66 Ų66104.3 Ų104.341%0.40552%0.524SS..EExtended strand (participates in β ladder)trans-128162.7177.868.60000111.4A90 I97A90-T129 WeakPolarHBondContact O-CA 3.45Å; I97-T129 HydrophobicContact CD1-CG2 3.66Å; I97-T129 HydrophobicContact CG1-CG2 3.78Å
130T68.9Low60.1Low18 Ų18105.2 Ų105.211%0.1152%0.523CS..EExtended strand (participates in β ladder)trans-111.6117.2179.465.50000108.1L89 D92 V141L89-T130 HydrophobicContact CD1-CG2 3.71Å; L89-T130 HydrophobicContact CD2-CG2 4.11Å; L89-T130 HydrophobicContact CG-CG2 4.09Å; D92-T130 WeakPolarHBondContact CB-O 3.29Å; T130-V141 WeakPolarHBondContact CB-O 3.44Å; T130-V141 HydrophobicContact CG2-CB 4.08Å; T130-V141 WeakPolarHBondContact CG2-O 3.41Å
131C59.9Low60Low80 Ų80102 Ų10254%0.54151%0.509SS..  trans-50.9137.4-169.5-73.40000115.5
132K52.2Low59.8Low89 Ų8998.5 Ų98.539%0.38749%0.487SS..SBendtrans-73.4-26.4167.3-92.1165163.4152.40115.4D92D92-K132 HydrophobicContact CB-CD 4.35Å; D92-K132 HydrophobicContact CB-CG 4.07Å; D92-K132 VanDerWaalsContact O-CD 3.24Å; D92-K132 WeakPolarHBondContact O-CD 3.46Å; D92-K132 WeakPolarHBondContact O-CE 3.34Å; D92-K132 PolarHBondContact O-NZ 3.38Å; D92-K132 WeakPolarHBondContact OD2-CB 3.49Å; D92-K132 WeakPolarHBondContact OD2-CD 3.15Å; D92-K132 VanDerWaalsContact OD2-CG 3.23Å; D92-K132 WeakPolarHBondContact OD2-CG 3.36Å; D92-K132 PolarHBondContact OD2-N 2.91Å
133V44.8Very low59Low119 Ų11991.3 Ų91.372%0.72146%0.461SS*.SBendtrans-112-12.6-148.4-175.60000116.3
134F35.7Very low57.9Low141 Ų14192.7 Ų92.762%0.61847%0.467SS*.  trans-104.8126.1178.9-82.7-88.9000113.3D136F134-D136 PolarHBondContact O-N 2.95Å
135R41.2Very low56.2Low244 Ų24491.8 Ų91.892%0.92145%0.449SS*.  trans-63.5-7.5168.9-83-176.7-173.2-159.72.2112.6
136D32.7Very low54.1Low97 Ų9792.2 Ų92.252%0.51946%0.458SS..SBendtrans-94.6150.4-169.4-57.1-40.4000113.5F134 F138F134-D136 PolarHBondContact O-N 2.95Å; D136-F138 PolarHBondContact O-N 3.19Å
137L35.6Very low52.1Low167 Ų16792.2 Ų92.287%0.87446%0.455SS*.THydrogen-bonded Turntrans-48.52.3-164.3-96.961.3000119.7
138F34.2Very low50.4Low182 Ų18296.1 Ų96.180%0.79848%0.484SS*.THydrogen-bonded Turntrans-1087.2-163.2-70.9-80.4000116.6D136 E140D136-F138 PolarHBondContact O-N 3.19Å; F138-E140 PolarHBondContact O-N 2.98Å; F138-E140 VanDerWaalsContact O-N 3.11Å
139C38.2Very low48.9Very low27 Ų2795.7 Ų95.718%0.18248%0.484CS..  trans-81.987.9171.4-71.40000110.5V141 K142C139-V141 PolarHBondContact O-N 2.99Å; C139-K142 HydrophobicContact CB-CD 4.44Å; C139-K142 HydrophobicContact CB-CG 3.91Å
140E37.1Very low48.3Very low165 Ų16595.2 Ų95.277%0.77148%0.482SS*.SBendtrans-65-6-177.3-75.7-169.3147.800115.1F138 H257F138-E140 PolarHBondContact O-N 2.98Å; F138-E140 VanDerWaalsContact O-N 3.11Å; E140-H257 PolarHBondContact O-CE1 3.17Å
141V45.2Very low48.5Very low27 Ų2799.3 Ų99.316%0.16451%0.509CS..  trans-145.785.9171.2-163.40000110.5L89 T130 C139 L143 F258L89-V141 HydrophobicContact CD2-CB 3.72Å; L89-V141 HydrophobicContact CD2-CG1 3.84Å; L89-V141 HydrophobicContact CD2-CG2 3.66Å; T130-V141 WeakPolarHBondContact CB-O 3.44Å; T130-V141 HydrophobicContact CG2-CB 4.08Å; T130-V141 WeakPolarHBondContact CG2-O 3.41Å; C139-V141 PolarHBondContact O-N 2.99Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 HydrophobicContact CG1-CD2 3.79Å; V141-L143 HydrophobicContact CG1-CG 3.79Å; V141-L143 PolarHBondContact O-N 3.05Å; V141-F258 HydrophobicContact CG1-CD2 4.1Å
142K51.2Low49.3Very low86 Ų8698 Ų9837%0.37450%0.504SS..  trans-78.286.1168.2-68.3-174.4-176.8179.60108.8C139 F144C139-K142 HydrophobicContact CB-CD 4.44Å; C139-K142 HydrophobicContact CB-CG 3.91Å; K142-F144 PolarHBondContact O-N 3.3Å
143L50.6Low50.3Low26 Ų2694.8 Ų94.814%0.13649%0.492CS..THydrogen-bonded Turntrans-61.7109.1174.8-70.5170.7000109.4L89 V141 R145 F258L89-L143 HydrophobicContact CD2-CD1 4.47Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 HydrophobicContact CG1-CD2 3.79Å; V141-L143 HydrophobicContact CG1-CG 3.79Å; V141-L143 PolarHBondContact O-N 3.05Å; L143-R145 PolarHBondContact O-N 3.41Å; L143-F258 HydrophobicContact CD2-CD2 3.31Å; L143-F258 HydrophobicContact CD2-CE2 3.59Å; L143-F258 HydrophobicContact CD2-CG 4.02Å; L143-F258 HydrophobicContact CD2-CZ 4.49Å
144F52.6Low51.7Low103 Ų10394.7 Ų94.745%0.45248%0.482SS..THydrogen-bonded Turntrans53.855163.8-62-91.6000116.1L25 K142 I254L25-F144 HydrophobicContact CD2-CE2 4.18Å; L25-F144 HydrophobicContact CD2-CZ 4.16Å; K142-F144 PolarHBondContact O-N 3.3Å; F144-I254 HydrophobicContact CB-CG2 4.4Å; F144-I254 HydrophobicContact CD1-CG2 3.44Å; F144-I254 VanDerWaalsContact CD1-CG2 3.44Å; F144-I254 HydrophobicContact CE1-CG2 4.11Å; F144-I254 HydrophobicContact CG-CG2 4.32Å
145R50.6Low53.8Low89 Ų8990.3 Ų90.334%0.33647%0.472SS..  trans-98.1121170-68.8-159.4-176.6-161.95.8112.5L143 I149L143-R145 PolarHBondContact O-N 3.41Å; R145-I149 HydrophobicContact CB-CD1 3.86Å; R145-I149 HydrophobicContact CG-CD1 4.19Å
146G49.1Very low55.5Low32 Ų3286 Ų8633%0.3346%0.456SS..  trans-74.2-165.517700000114.5S148G146-S148 PolarHBondContact O-N 3.07Å
147D51.4Low57.6Low60 Ų6082.2 Ų82.232%0.32143%0.434SS..THydrogen-bonded Turntrans-49-12.9-159.1-50.4-4.4000118.1K154 K157D147-K154 HydrophobicContact CB-CB 3.94Å; D147-K154 HydrophobicContact CB-CD 4.22Å; D147-K154 HydrophobicContact CB-CG 3.93Å; D147-K157 WeakPolarHBondContact OD1-CD 3.45Å; D147-K157 WeakPolarHBondContact OD1-CE 3.21Å; D147-K157 IonicContact OD1-NZ 2.87Å; D147-K157 PolarHBondContact OD1-NZ 2.93Å
148S55.6Low59.8Low114 Ų11478.7 Ų78.780%0.79742%0.42SS*.THydrogen-bonded Turntrans-80.1-21.1-172.154.10000114.7G146G146-S148 PolarHBondContact O-N 3.07Å
149I59.6Low62Low78 Ų7876.2 Ų76.240%0.442%0.415SS..SBendtrans-100.2-33.9-173.9-62.3-178.6000112.4R145R145-I149 HydrophobicContact CB-CD1 3.86Å; R145-I149 HydrophobicContact CG-CD1 4.19Å
150C67.7Low64.1Low55 Ų5578.5 Ų78.537%0.37242%0.423SS..  trans-121.8101.1-175.9-172.20000109.6A152 V153 K154C150-A152 PolarHBondContact O-N 3.41Å; C150-A152 VanDerWaalsContact O-N 3.16Å; C150-V153 HydrophobicContact CB-CB 3.91Å; C150-V153 HydrophobicContact CB-CG2 3.72Å; C150-V153 WeakPolarHBondContact O-CB 3.47Å; C150-V153 PolarHBondContact O-N 3.18Å; C150-K154 PolarHBondContact O-N 2.98Å; C150-K154 VanDerWaalsContact O-N 3.13Å
151P74.2Confident66.2Low105 Ų10573.4 Ų73.468%0.68241%0.405SS*.Hα-helixtrans-53.2-34.8176-27.835.3000112.8K154 A155P151-K154 PolarHBondContact O-N 3.37Å; P151-A155 WeakPolarHBondContact O-CB 3.36Å; P151-A155 PolarHBondContact O-N 3.42Å
152A76.6Confident67.8Low53 Ų5374.3 Ų74.344%0.43841%0.413SS..Hα-helixtrans-65.4-38176.100000112.9C150 A155 R156C150-A152 PolarHBondContact O-N 3.41Å; C150-A152 VanDerWaalsContact O-N 3.16Å; A152-A155 PolarHBondContact O-N 3.04Å; A152-R156 WeakPolarHBondContact O-CB 3.25Å; A152-R156 VanDerWaalsContact O-CG 3.28Å; A152-R156 WeakPolarHBondContact O-CG 3.31Å; A152-R156 PolarHBondContact O-N 3.24Å
153V72.7Confident69Low20 Ų2074.3 Ų74.312%0.12142%0.423CS..Hα-helixtrans-64.6-44.2173.7166.50000110.5C150 R156 K157C150-V153 HydrophobicContact CB-CB 3.91Å; C150-V153 HydrophobicContact CB-CG2 3.72Å; C150-V153 WeakPolarHBondContact O-CB 3.47Å; C150-V153 PolarHBondContact O-N 3.18Å; V153-R156 PolarHBondContact O-N 3.38Å; V153-K157 WeakPolarHBondContact O-CG 3.39Å; V153-K157 PolarHBondContact O-N 2.96Å
154K73.9Confident70.3Confident117 Ų11777.5 Ų77.551%0.50944%0.441SS..Hα-helixtrans-59.8-49.1176.5-174.1177.8179.1-173.30111.4D147 C150 P151 R156 K157 V158D147-K154 HydrophobicContact CB-CB 3.94Å; D147-K154 HydrophobicContact CB-CD 4.22Å; D147-K154 HydrophobicContact CB-CG 3.93Å; C150-K154 PolarHBondContact O-N 2.98Å; C150-K154 VanDerWaalsContact O-N 3.13Å; P151-K154 PolarHBondContact O-N 3.37Å; K154-R156 VanDerWaalsContact C-N 3.35Å; K154-R156 PolarHBondContact O-N 3.12Å; K154-K157 PolarHBondContact O-N 2.86Å; K154-V158 WeakPolarHBondContact O-CG2 3.49Å; K154-V158 PolarHBondContact O-N 3.29Å; K154-V158 VanDerWaalsContact O-N 3.08Å
155A79.8Confident71.7Confident50 Ų5074.1 Ų74.141%0.41343%0.427SS..Hα-helixtrans-60-43.9177.800000111.8P151 A152 K157 V158 N159P151-A155 WeakPolarHBondContact O-CB 3.36Å; P151-A155 PolarHBondContact O-N 3.42Å; A152-A155 PolarHBondContact O-N 3.04Å; A155-K157 PolarHBondContact O-N 3.22Å; A155-V158 PolarHBondContact O-N 3.34Å; A155-N159 VanDerWaalsContact O-CG 3.26Å; A155-N159 PolarHBondContact O-N 2.96Å; A155-N159 PolarHBondContact O-OD1 3.08Å
156R77.9Confident73.2Confident154 Ų15473.1 Ų73.158%0.58143%0.433SS*.Hα-helixtrans-61.3-43.5176.2-77.2177.9-176.9-173.90.6112.6A152 V153 K154 V158 N159 Q160A152-R156 WeakPolarHBondContact O-CB 3.25Å; A152-R156 VanDerWaalsContact O-CG 3.28Å; A152-R156 WeakPolarHBondContact O-CG 3.31Å; A152-R156 PolarHBondContact O-N 3.24Å; V153-R156 PolarHBondContact O-N 3.38Å; K154-R156 VanDerWaalsContact C-N 3.35Å; K154-R156 PolarHBondContact O-N 3.12Å; R156-V158 VanDerWaalsContact C-N 3.32Å; R156-V158 PolarHBondContact O-N 2.94Å; R156-N159 PolarHBondContact O-N 3.38Å; R156-Q160 WeakPolarHBondContact O-CB 3.4Å; R156-Q160 WeakPolarHBondContact O-CG 3.46Å; R156-Q160 PolarHBondContact O-N 3.46Å
157K76.4Confident75.1Confident16 Ų1675.1 Ų75.17%0.0744%0.436CS..Hα-helixtrans-61.6-41.1176.5-76.2-174.1176.5-176.90112.6D147 V153 K154 A155 Q160 S161 K250D147-K157 WeakPolarHBondContact OD1-CD 3.45Å; D147-K157 WeakPolarHBondContact OD1-CE 3.21Å; D147-K157 IonicContact OD1-NZ 2.87Å; D147-K157 PolarHBondContact OD1-NZ 2.93Å; V153-K157 WeakPolarHBondContact O-CG 3.39Å; V153-K157 PolarHBondContact O-N 2.96Å; K154-K157 PolarHBondContact O-N 2.86Å; A155-K157 PolarHBondContact O-N 3.22Å; K157-Q160 CarbonylContact O-C 3.59Å; K157-Q160 PolarHBondContact O-N 3.19Å; K157-S161 PolarHBondContact O-N 3.48Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 3.5Å; K157-K250 HydrophobicContact CG-CG 4.16Å
158V80.3Confident77Confident93 Ų9372.9 Ų72.956%0.56442%0.424SS*.Hα-helixtrans-62.2-45.8175.2173.30000110.4K154 A155 R156 Q160 S161K154-V158 WeakPolarHBondContact O-CG2 3.49Å; K154-V158 PolarHBondContact O-N 3.29Å; K154-V158 VanDerWaalsContact O-N 3.08Å; A155-V158 PolarHBondContact O-N 3.34Å; R156-V158 VanDerWaalsContact C-N 3.32Å; R156-V158 PolarHBondContact O-N 2.94Å; V158-Q160 PolarHBondContact O-N 3.27Å; V158-S161 VanDerWaalsContact O-CB 3.24Å; V158-S161 WeakPolarHBondContact O-CB 3.44Å; V158-S161 PolarHBondContact O-N 3.37Å; V158-S161 PolarHBondContact O-OG 3.02Å
159N82.1Confident78.7Confident130 Ų13069.2 Ų69.270%0.69540%0.397SS*.Hα-helixtrans-64.3-26.4177.8-67.4-4.4000113.4A155 R156A155-N159 VanDerWaalsContact O-CG 3.26Å; A155-N159 PolarHBondContact O-N 2.96Å; A155-N159 PolarHBondContact O-OD1 3.08Å; R156-N159 PolarHBondContact O-N 3.38Å
160Q81.6Confident80.3Confident76 Ų7672 Ų7236%0.35541%0.407SS..THydrogen-bonded Turntrans-94.25.5177.8-65.7-68.7-29.700112.7R156 K157 V158 S162 E249 K250R156-Q160 WeakPolarHBondContact O-CB 3.4Å; R156-Q160 WeakPolarHBondContact O-CG 3.46Å; R156-Q160 PolarHBondContact O-N 3.46Å; K157-Q160 CarbonylContact O-C 3.59Å; K157-Q160 PolarHBondContact O-N 3.19Å; V158-Q160 PolarHBondContact O-N 3.27Å; Q160-S162 PolarHBondContact O-N 2.85Å; Q160-E249 HydrophobicContact CG-CB 3.98Å; Q160-E249 HydrophobicContact CG-CG 4.37Å; Q160-E249 PolarHBondContact OE1-OE2 2.76Å; Q160-K250 HydrophobicContact CB-CD 4.37Å; Q160-K250 HydrophobicContact CB-CG 4Å; Q160-K250 VanDerWaalsContact O-CE 3.28Å; Q160-K250 WeakPolarHBondContact O-CE 3.27Å; Q160-K250 PolarHBondContact O-NZ 3.32Å
161S80.7Confident81.5Confident57 Ų5774.3 Ų74.340%0.39941%0.41SS..  trans-73.7123.1177.6-60.60000109.3K157 V158 E165K157-S161 PolarHBondContact O-N 3.48Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 3.5Å; V158-S161 VanDerWaalsContact O-CB 3.24Å; V158-S161 WeakPolarHBondContact O-CB 3.44Å; V158-S161 PolarHBondContact O-N 3.37Å; V158-S161 PolarHBondContact O-OG 3.02Å; S161-E165 PolarHBondContact OG-OE2 3.15Å
162S79.1Confident82.6Confident47 Ų4769.4 Ų69.433%0.32938%0.378SS..  trans-69.9157.5177.362.20000111.5Q160 N164 E165Q160-S162 PolarHBondContact O-N 2.85Å; S162-N164 PolarHBondContact O-N 3.5Å; S162-E165 PolarHBondContact N-OE1 2.93Å; S162-E165 WeakPolarHBondContact O-CB 3.49Å; S162-E165 PolarHBondContact O-N 3.22Å; S162-E165 WeakPolarHBondContact OG-CG 3.27Å; S162-E165 PolarHBondContact OG-N 3.05Å; S162-E165 PolarHBondContact OG-OE1 2.79Å
163S77.3Confident83.4Confident85 Ų8572.6 Ų72.659%0.59438%0.384SS*.Hα-helixtrans-54.9-36.7170.753.50000111.7E165 S166 L167S163-E165 VanDerWaalsContact C-N 3.28Å; S163-E165 PolarHBondContact O-N 2.8Å; S163-S166 PolarHBondContact O-N 3.12Å; S163-S166 PolarHBondContact O-OG 2.96Å; S163-L167 WeakPolarHBondContact O-CG 3.06Å; S163-L167 PolarHBondContact O-N 3.33Å; S163-L167 VanDerWaalsContact O-N 3.14Å
164N77.2Confident84.5Confident94 Ų9477.7 Ų77.750%0.50341%0.411SS..Hα-helixtrans-57.3-36.7176.4-73.1-15.4000113.1S162 S166 L167 I168 Y239S162-N164 PolarHBondContact O-N 3.5Å; N164-S166 PolarHBondContact O-N 2.77Å; N164-L167 PolarHBondContact O-N 3.34Å; N164-I168 PolarHBondContact O-N 2.85Å; N164-Y239 VanDerWaalsContact C-OH 3.27Å; N164-Y239 PolarHBondContact O-OH 3.19Å
165E82.2Confident85.6Confident32 Ų3272.8 Ų72.815%0.1539%0.39CS..Hα-helixtrans-61-25.9176.8-73.4166.8-123.900112.4S161 S162 S163 P169 Y239 T243 N246 K250S161-E165 PolarHBondContact OG-OE2 3.15Å; S162-E165 PolarHBondContact N-OE1 2.93Å; S162-E165 WeakPolarHBondContact O-CB 3.49Å; S162-E165 PolarHBondContact O-N 3.22Å; S162-E165 WeakPolarHBondContact OG-CG 3.27Å; S162-E165 PolarHBondContact OG-N 3.05Å; S162-E165 PolarHBondContact OG-OE1 2.79Å; S163-E165 VanDerWaalsContact C-N 3.28Å; S163-E165 PolarHBondContact O-N 2.8Å; E165-P169 VanDerWaalsContact O-CD 3.29Å; E165-P169 WeakPolarHBondContact O-CD 3.37Å; E165-Y239 WeakPolarHBondContact CA-OH 3.39Å; E165-Y239 PolarHBondContact N-OH 2.89Å; E165-T243 HydrophobicContact CG-CG2 3.57Å; E165-N246 PolarHBondContact OE1-ND2 3.16Å; E165-K250 IonicContact OE1-NZ 2.8Å; E165-K250 PolarHBondContact OE1-NZ 3.08Å; E165-K250 IonicContact OE2-NZ 2.77Å; E165-K250 PolarHBondContact OE2-NZ 3.27Å; E165-K250 VanDerWaalsContact OE2-NZ 3.13Å
166S83Confident86.3Confident68 Ų6871.1 Ų71.148%0.47637%0.373SS..Hα-helixtrans-90.9-23.5174.477.80000113.9S163 N164S163-S166 PolarHBondContact O-N 3.12Å; S163-S166 PolarHBondContact O-OG 2.96Å; N164-S166 PolarHBondContact O-N 2.77Å
167L88.9Confident87.2Confident73 Ų7367.4 Ų67.438%0.38237%0.367SS..Hα-helixtrans-82.2-42.4-178.5-69.1172.1000112.6S163 N164 K170 K171S163-L167 WeakPolarHBondContact O-CG 3.06Å; S163-L167 PolarHBondContact O-N 3.33Å; S163-L167 VanDerWaalsContact O-N 3.14Å; N164-L167 PolarHBondContact O-N 3.34Å; L167-K170 WeakPolarHBondContact O-CA 3.34Å; L167-K170 WeakPolarHBondContact O-CB 3.21Å; L167-K170 PolarHBondContact O-N 3.32Å; L167-K171 PolarHBondContact O-N 2.96Å; L167-K171 VanDerWaalsContact O-N 3.07Å
168I90.9Very high88.2Confident13 Ų1371.5 Ų71.57%0.06739%0.387CS..Hα-helixtrans-55.9-48.8-177.6-67.8-64000112.3N164 K170 K171 Y172 L190 E222 L236 Y239N164-I168 PolarHBondContact O-N 2.85Å; I168-K170 PolarHBondContact O-N 3.15Å; I168-K170 VanDerWaalsContact O-N 3.16Å; I168-K171 HydrophobicContact CD1-CD 4.39Å; I168-K171 PolarHBondContact O-N 2.93Å; I168-K171 VanDerWaalsContact O-N 3.12Å; I168-Y172 HydrophobicContact CG2-CD2 4.16Å; I168-Y172 HydrophobicContact CG2-CE2 4.24Å; I168-Y172 WeakPolarHBondContact O-CD2 3.49Å; I168-Y172 PolarHBondContact O-N 3.48Å; I168-L190 HydrophobicContact CG2-CD1 4.3Å; I168-L190 HydrophobicContact CG2-CD2 4.25Å; I168-E222 HydrophobicContact CD1-CG 4.15Å; I168-E222 VanDerWaalsContact CD1-OE2 3.24Å; I168-E222 WeakPolarHBondContact CD1-OE2 3.23Å; I168-L236 HydrophobicContact CG2-CD2 3.95Å; I168-Y239 HydrophobicContact CB-CD1 4.5Å; I168-Y239 HydrophobicContact CB-CE1 3.83Å; I168-Y239 HydrophobicContact CG1-CE1 3.84Å; I168-Y239 HydrophobicContact CG1-CE2 4Å; I168-Y239 WeakPolarHBondContact CG1-OH 3.45Å; I168-Y239 HydrophobicContact CG2-CD1 4.04Å; I168-Y239 HydrophobicContact CG2-CE1 3.87Å
169P90.3Very high89Confident38 Ų3867.1 Ų67.125%0.24736%0.36CS..Hα-helixtrans-54.9-33.7174.7-23.631.7000114.4E165 E173 F176 L190E165-P169 VanDerWaalsContact O-CD 3.29Å; E165-P169 WeakPolarHBondContact O-CD 3.37Å; P169-E173 PolarHBondContact O-N 3.13Å; P169-F176 HydrophobicContact CB-CE2 4.2Å; P169-L190 HydrophobicContact CG-CD1 3.64Å; P169-L190 HydrophobicContact CG-CG 3.96Å
170K92.8Very high89.7Confident137 Ų13763.9 Ų63.960%0.59634%0.341SS*.Hα-helixtrans-72.6-38.3178.8-63.2179.9178.3-176.20111.9L167 I168 Y172 E173L167-K170 WeakPolarHBondContact O-CA 3.34Å; L167-K170 WeakPolarHBondContact O-CB 3.21Å; L167-K170 PolarHBondContact O-N 3.32Å; I168-K170 PolarHBondContact O-N 3.15Å; I168-K170 VanDerWaalsContact O-N 3.16Å; K170-Y172 PolarHBondContact O-N 2.77Å; K170-E173 VanDerWaalsContact O-CB 3.26Å; K170-E173 WeakPolarHBondContact O-CB 3.38Å; K170-E173 PolarHBondContact O-N 3.35Å
171K94.4Very high90.4Very high103 Ų10367.9 Ų67.945%0.44836%0.36SS..Hα-helixtrans-61.9-33.5177.1-62.8-171.5-177.3-179.50112.2L167 I168 V221 E222L167-K171 PolarHBondContact O-N 2.96Å; L167-K171 VanDerWaalsContact O-N 3.07Å; I168-K171 HydrophobicContact CD1-CD 4.39Å; I168-K171 PolarHBondContact O-N 2.93Å; I168-K171 VanDerWaalsContact O-N 3.12Å; K171-V221 HydrophobicContact CB-CG2 3.86Å; K171-V221 WeakPolarHBondContact O-CG2 3.47Å; K171-E222 WeakPolarHBondContact CD-OE1 3.19Å; K171-E222 VanDerWaalsContact CE-OE1 3.32Å; K171-E222 WeakPolarHBondContact CE-OE1 3.45Å; K171-E222 IonicContact NZ-OE1 3.23Å; K171-E222 PolarHBondContact NZ-OE1 3.29Å; K171-E222 IonicContact NZ-OE2 3.41Å; K171-E222 PolarHBondContact NZ-OE2 3.01Å
172Y95.7Very high91.1Very high2 Ų268 Ų681%0.00836%0.355CS..THydrogen-bonded Turntrans-98.521.8178.9-68.2-93.8000113I168 K170 D174 M175 F176 D220 V221 E222 V232 L236I168-Y172 HydrophobicContact CG2-CD2 4.16Å; I168-Y172 HydrophobicContact CG2-CE2 4.24Å; I168-Y172 WeakPolarHBondContact O-CD2 3.49Å; I168-Y172 PolarHBondContact O-N 3.48Å; K170-Y172 PolarHBondContact O-N 2.77Å; Y172-D174 PolarHBondContact O-N 3.49Å; Y172-M175 HydrophobicContact CD1-CE 3.88Å; Y172-M175 HydrophobicContact CD1-SD 3.79Å; Y172-M175 HydrophobicContact CE1-CE 4.23Å; Y172-M175 HydrophobicContact CE1-SD 4.46Å; Y172-M175 WeakPolarHBondContact O-CB 3.48Å; Y172-M175 PolarHBondContact O-N 3.2Å; Y172-F176 WeakPolarHBondContact O-CB 3.19Å; Y172-F176 VanDerWaalsContact O-CD1 3.31Å; Y172-F176 WeakPolarHBondContact O-CD1 3.38Å; Y172-F176 WeakPolarHBondContact O-CG 3.27Å; Y172-F176 PolarHBondContact O-N 3.27Å; Y172-D220 PolarHBondContact OH-OD1 3.28Å; Y172-V221 HydrophobicContact CD1-CG2 3.86Å; Y172-V221 HydrophobicContact CD2-CG2 3.74Å; Y172-V221 HydrophobicContact CE1-CG2 3.65Å; Y172-V221 HydrophobicContact CE2-CG2 3.49Å; Y172-V221 VanDerWaalsContact CE2-CG2 3.49Å; Y172-V221 HydrophobicContact CG-CG2 3.92Å; Y172-V221 VanDerWaalsContact CZ-CG2 3.45Å; Y172-E222 HydrophobicContact CE2-CG 3.92Å; Y172-V232 HydrophobicContact CD1-CG1 4.34Å; Y172-V232 HydrophobicContact CE1-CG1 3.64Å; Y172-L236 HydrophobicContact CD1-CD1 3.94Å; Y172-L236 HydrophobicContact CD2-CD1 4.43Å; Y172-L236 HydrophobicContact CD2-CD2 4.06Å; Y172-L236 HydrophobicContact CE1-CD1 4.09Å; Y172-L236 HydrophobicContact CE1-CD2 4.44Å; Y172-L236 HydrophobicContact CE2-CD2 3.75Å; Y172-L236 HydrophobicContact CG-CD1 4.11Å
173E94.8Very high92Very high120 Ų12065.7 Ų65.756%0.56134%0.339SS*.Hα-helixtrans-59.4-46.7-174.1-178.1163.6-158.300112.5P169 K170 M175 F176 V177P169-E173 PolarHBondContact O-N 3.13Å; K170-E173 VanDerWaalsContact O-CB 3.26Å; K170-E173 WeakPolarHBondContact O-CB 3.38Å; K170-E173 PolarHBondContact O-N 3.35Å; E173-M175 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 3.1Å; E173-F176 CarbonylContact O-C 3.42Å; E173-F176 WeakPolarHBondContact O-CA 3.31Å; E173-F176 WeakPolarHBondContact O-CB 3.5Å; E173-F176 PolarHBondContact O-N 3.35Å; E173-V177 WeakPolarHBondContact O-CG2 3.26Å; E173-V177 PolarHBondContact O-N 3.14Å
174D95Very high93Very high127 Ų12763 Ų6368%0.67932%0.324SS*.Hα-helixtrans-60.1-43.6179-64.5-21.5000112Y172 F176 V177 Q178Y172-D174 PolarHBondContact O-N 3.49Å; D174-F176 VanDerWaalsContact C-N 3.3Å; D174-F176 PolarHBondContact O-N 2.85Å; D174-V177 PolarHBondContact O-N 3.39Å; D174-Q178 WeakPolarHBondContact O-CG 3.24Å; D174-Q178 PolarHBondContact O-N 3.25Å
175M96.5Very high93.9Very high14 Ų1459.9 Ų59.97%0.06931%0.306CS..Hα-helixtrans-59.8-43.1173.6174.9177.8-59.200110.9Y172 E173 V177 Q178 L179 M193 W218 M219 F229 V232Y172-M175 HydrophobicContact CD1-CE 3.88Å; Y172-M175 HydrophobicContact CD1-SD 3.79Å; Y172-M175 HydrophobicContact CE1-CE 4.23Å; Y172-M175 HydrophobicContact CE1-SD 4.46Å; Y172-M175 WeakPolarHBondContact O-CB 3.48Å; Y172-M175 PolarHBondContact O-N 3.2Å; E173-M175 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 3.1Å; M175-V177 VanDerWaalsContact C-N 3.31Å; M175-V177 PolarHBondContact O-N 3.06Å; M175-Q178 PolarHBondContact O-N 2.97Å; M175-L179 HydrophobicContact CG-CD1 3.9Å; M175-L179 WeakPolarHBondContact O-CD1 3.49Å; M175-L179 VanDerWaalsContact O-CG 3.23Å; M175-L179 WeakPolarHBondContact O-CG 3.34Å; M175-L179 PolarHBondContact O-N 3.11Å; M175-M193 HydrophobicContact CG-CE 4.44Å; M175-M193 HydrophobicContact SD-CE 4.06Å; M175-W218 HydrophobicContact CB-CE3 4.44Å; M175-W218 HydrophobicContact CB-CZ3 4.4Å; M175-W218 HydrophobicContact CE-CB 4.2Å; M175-W218 HydrophobicContact CE-CE3 3.92Å; M175-W218 HydrophobicContact CG-CE3 3.65Å; M175-W218 HydrophobicContact CG-CZ3 3.61Å; M175-W218 HydrophobicContact SD-CE3 4.2Å; M175-M219 VanDerWaalsContact CE-O 3.26Å; M175-M219 WeakPolarHBondContact CE-O 3.3Å; M175-F229 HydrophobicContact SD-CE2 4.24Å; M175-V232 HydrophobicContact CE-CB 4.43Å; M175-V232 HydrophobicContact CE-CG1 3.8Å; M175-V232 HydrophobicContact SD-CG1 4.02Å
176F96.1Very high94.5Very high14 Ų1465.6 Ų65.66%0.06134%0.337CS..Hα-helixtrans-67.7-30.9179.8-82.926.4000112.4P169 Y172 E173 D174 Q180 M188 L190 M193 L236P169-F176 HydrophobicContact CB-CE2 4.2Å; Y172-F176 WeakPolarHBondContact O-CB 3.19Å; Y172-F176 VanDerWaalsContact O-CD1 3.31Å; Y172-F176 WeakPolarHBondContact O-CD1 3.38Å; Y172-F176 WeakPolarHBondContact O-CG 3.27Å; Y172-F176 PolarHBondContact O-N 3.27Å; E173-F176 CarbonylContact O-C 3.42Å; E173-F176 WeakPolarHBondContact O-CA 3.31Å; E173-F176 WeakPolarHBondContact O-CB 3.5Å; E173-F176 PolarHBondContact O-N 3.35Å; D174-F176 VanDerWaalsContact C-N 3.3Å; D174-F176 PolarHBondContact O-N 2.85Å; F176-Q180 WeakPolarHBondContact O-CG 3.28Å; F176-Q180 PolarHBondContact O-NE2 2.83Å; F176-M188 HydrophobicContact CB-CB 3.81Å; F176-M188 HydrophobicContact CB-CG 4.11Å; F176-M188 HydrophobicContact CD1-CG 3.92Å; F176-M188 HydrophobicContact CD2-CB 4.01Å; F176-M188 HydrophobicContact CD2-CG 3.92Å; F176-M188 HydrophobicContact CE1-CG 4.37Å; F176-M188 HydrophobicContact CE2-CG 4.36Å; F176-M188 HydrophobicContact CG-CB 3.85Å; F176-M188 HydrophobicContact CG-CG 3.68Å; F176-M188 WeakPolarHBondContact O-CB 3.09Å; F176-L190 HydrophobicContact CZ-CD2 4.01Å; F176-L190 HydrophobicContact CZ-CG 4.32Å; F176-M193 HydrophobicContact CD1-CE 3.84Å; F176-M193 HydrophobicContact CE1-CE 3.42Å; F176-M193 VanDerWaalsContact CE1-CE 3.42Å; F176-M193 HydrophobicContact CZ-CE 4.42Å; F176-L236 HydrophobicContact CE1-CD1 4.28Å
177V96.2Very high95Very high76 Ų7670.6 Ų70.646%0.46135%0.346SS..Hα-helixtrans-68.7-49.4172.8172.80000110.5E173 D174 M175 L179 Q180E173-V177 WeakPolarHBondContact O-CG2 3.26Å; E173-V177 PolarHBondContact O-N 3.14Å; D174-V177 PolarHBondContact O-N 3.39Å; M175-V177 VanDerWaalsContact C-N 3.31Å; M175-V177 PolarHBondContact O-N 3.06Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 3.47Å; V177-Q180 WeakPolarHBondContact O-CB 3.33Å; V177-Q180 PolarHBondContact O-N 2.99Å; V177-Q180 VanDerWaalsContact O-N 3.12Å
178Q96.4Very high95.3Very high103 Ų10367.6 Ų67.648%0.48133%0.33SS..Hα-helixtrans-58-42.7178.7-68.7177.838.200111.9D174 M175 Q180 Q181 L182 W218D174-Q178 WeakPolarHBondContact O-CG 3.24Å; D174-Q178 PolarHBondContact O-N 3.25Å; M175-Q178 PolarHBondContact O-N 2.97Å; Q178-Q180 PolarHBondContact O-N 2.64Å; Q178-Q181 PolarHBondContact O-N 3.32Å; Q178-L182 PolarHBondContact O-N 2.84Å; Q178-W218 HydrophobicContact CB-CH2 4.26Å; Q178-W218 HydrophobicContact CB-CZ3 4.33Å
179L97.3Very high95.4Very high0 Ų069.3 Ų69.30%034%0.341CS..Hα-helixtrans-66-22.2-179.5-69.4164.5000114M175 V177 Q181 L182 T183 M188 M193 L196 W213 W218 F229M175-L179 HydrophobicContact CG-CD1 3.9Å; M175-L179 WeakPolarHBondContact O-CD1 3.49Å; M175-L179 VanDerWaalsContact O-CG 3.23Å; M175-L179 WeakPolarHBondContact O-CG 3.34Å; M175-L179 PolarHBondContact O-N 3.11Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 3.47Å; L179-Q181 VanDerWaalsContact C-N 3.32Å; L179-L182 HydrophobicContact CD2-CD1 4.37Å; L179-L182 PolarHBondContact O-N 2.05Å; L179-T183 VanDerWaalsContact O-CB 3.28Å; L179-T183 WeakPolarHBondContact O-CB 3.17Å; L179-T183 VanDerWaalsContact O-CG2 3.31Å; L179-T183 WeakPolarHBondContact O-CG2 3.45Å; L179-T183 PolarHBondContact O-N 2.97Å; L179-T183 PolarHBondContact O-OG1 3.31Å; L179-M188 HydrophobicContact CB-CE 3.41Å; L179-M188 VanDerWaalsContact CB-CE 3.41Å; L179-M188 HydrophobicContact CD1-CE 3.97Å; L179-M188 HydrophobicContact CD1-CG 4.48Å; L179-M188 HydrophobicContact CG-CE 4.25Å; L179-M193 HydrophobicContact CD1-CE 3.27Å; L179-M193 HydrophobicContact CD1-SD 4.22Å; L179-L196 HydrophobicContact CD2-CD2 4.04Å; L179-W213 HydrophobicContact CD2-CZ3 4.33Å; L179-W218 HydrophobicContact CD1-CZ3 4.48Å; L179-W218 HydrophobicContact CD2-CH2 3.64Å; L179-W218 HydrophobicContact CD2-CZ2 4.48Å; L179-W218 HydrophobicContact CD2-CZ3 4.04Å; L179-W218 HydrophobicContact CG-CH2 3.93Å; L179-W218 HydrophobicContact CG-CZ3 3.94Å; L179-F229 HydrophobicContact CD1-CE2 3.76Å; L179-F229 HydrophobicContact CD1-CZ 3.97Å; L179-F229 HydrophobicContact CD2-CD2 4.46Å; L179-F229 HydrophobicContact CD2-CE1 4.35Å; L179-F229 HydrophobicContact CD2-CE2 3.67Å; L179-F229 HydrophobicContact CD2-CZ 3.58Å; L179-F229 HydrophobicContact CG-CE2 4.24Å; L179-F229 HydrophobicContact CG-CZ 4.42Å
180Q97.2Very high95.5Very high63 Ų6368.2 Ų68.229%0.29433%0.333SS..Hα-helixtrans-63.3-41.9175.9-70.7171.261.100111F176 V177 Q178 G184 W185 N186 M188F176-Q180 WeakPolarHBondContact O-CG 3.28Å; F176-Q180 PolarHBondContact O-NE2 2.83Å; V177-Q180 WeakPolarHBondContact O-CB 3.33Å; V177-Q180 PolarHBondContact O-N 2.99Å; V177-Q180 VanDerWaalsContact O-N 3.12Å; Q178-Q180 PolarHBondContact O-N 2.64Å; Q180-G184 WeakPolarHBondContact O-CA 3.32Å; Q180-G184 PolarHBondContact O-N 3.27Å; Q180-W185 WeakPolarHBondContact CA-O 3.4Å; Q180-W185 VanDerWaalsContact CB-O 3.32Å; Q180-W185 WeakPolarHBondContact CB-O 3.49Å; Q180-W185 VanDerWaalsContact CG-O 3.31Å; Q180-W185 WeakPolarHBondContact CG-O 3.4Å; Q180-N186 PolarHBondContact OE1-O 3.46Å; Q180-M188 HydrophobicContact CG-CB 4.41Å
181Q95.6Very high95.5Very high160 Ų16066.5 Ų66.575%0.74833%0.326SS*.Hα-helixtrans-68.4-43.2176.9-63.6179.3-7.200111.4N39 Q178 L179N39-Q181 PolarHBondContact ND2-O 3Å; N39-Q181 VanDerWaalsContact ND2-O 3.13Å; Q178-Q181 PolarHBondContact O-N 3.32Å; L179-Q181 VanDerWaalsContact C-N 3.32Å
182L97.3Very high95.5Very high58 Ų5865.5 Ų65.530%0.30432%0.319SS..Hα-helixtrans-68.9-40.5-178.1-63.6174.3000112.6N39 Q178 L179 W213 W218N39-L182 VanDerWaalsContact CB-O 3.31Å; N39-L182 WeakPolarHBondContact CB-O 3.42Å; N39-L182 PolarHBondContact ND2-O 3.16Å; N39-L182 VanDerWaalsContact ND2-O 3.07Å; Q178-L182 PolarHBondContact O-N 2.84Å; L179-L182 HydrophobicContact CD2-CD1 4.37Å; L179-L182 PolarHBondContact O-N 2.05Å; L182-W213 HydrophobicContact CD1-CB 4.19Å; L182-W213 HydrophobicContact CD1-CD2 4.05Å; L182-W213 HydrophobicContact CD1-CE3 4.28Å; L182-W213 HydrophobicContact CD1-CG 4Å; L182-W213 HydrophobicContact CD2-CG 4.26Å; L182-W218 HydrophobicContact CD1-CH2 3.64Å; L182-W218 HydrophobicContact CD1-CZ2 3.69Å
183T97.5Very high95.5Very high0 Ų065.4 Ų65.40%032%0.319CS..Hα-helixtrans-91.3-22.4-174.562.40000113.9Y37 P38 N39 L179 W185 M188 L196Y37-T183 HydrophobicContact CD2-CG2 4.22Å; Y37-T183 HydrophobicContact CG-CG2 4.3Å; P38-T183 WeakPolarHBondContact CD-O 3.48Å; N39-T183 PolarHBondContact N-O 3.26Å; N39-T183 VanDerWaalsContact N-O 3.08Å; L179-T183 VanDerWaalsContact O-CB 3.28Å; L179-T183 WeakPolarHBondContact O-CB 3.17Å; L179-T183 VanDerWaalsContact O-CG2 3.31Å; L179-T183 WeakPolarHBondContact O-CG2 3.45Å; L179-T183 PolarHBondContact O-N 2.97Å; L179-T183 PolarHBondContact O-OG1 3.31Å; T183-W185 VanDerWaalsContact C-N 3.31Å; T183-W185 HydrophobicContact CG2-CE3 4.34Å; T183-W185 HydrophobicContact CG2-CZ3 4.47Å; T183-W185 PolarHBondContact OG1-N 3.02Å; T183-M188 HydrophobicContact CG2-CE 4.16Å; T183-L196 HydrophobicContact CG2-CD1 3.99Å; T183-L196 HydrophobicContact CG2-CD2 3.83Å
184G97.2Very high95.5Very high27 Ų2760 Ų6028%0.27829%0.294SS..  trans79.99.2-172.300000113.8N39 Q180N39-G184 PolarHBondContact ND2-N 2.7Å; Q180-G184 WeakPolarHBondContact O-CA 3.32Å; Q180-G184 PolarHBondContact O-N 3.27Å
185W96.4Very high95.5Very high29 Ų2959.2 Ų59.211%0.1128%0.282CS..  trans-83.7131.4174.4-73.8-28000112.2P38 Q180 T183 R187 M188 R192 L196P38-W185 VanDerWaalsContact CD-NE1 3.25Å; Q180-W185 WeakPolarHBondContact CA-O 3.4Å; Q180-W185 VanDerWaalsContact CB-O 3.32Å; Q180-W185 WeakPolarHBondContact CB-O 3.49Å; Q180-W185 VanDerWaalsContact CG-O 3.31Å; Q180-W185 WeakPolarHBondContact CG-O 3.4Å; T183-W185 VanDerWaalsContact C-N 3.31Å; T183-W185 HydrophobicContact CG2-CE3 4.34Å; T183-W185 HydrophobicContact CG2-CZ3 4.47Å; T183-W185 PolarHBondContact OG1-N 3.02Å; W185-R187 PolarHBondContact O-N 2.94Å; W185-M188 HydrophobicContact CE3-CE 3.45Å; W185-M188 VanDerWaalsContact CE3-CE 3.45Å; W185-M188 HydrophobicContact CE3-SD 3.73Å; W185-M188 HydrophobicContact CZ3-CE 3.66Å; W185-M188 HydrophobicContact CZ3-SD 3.8Å; W185-R192 HydrophobicContact CD2-CG 4.38Å; W185-R192 HydrophobicContact CE3-CB 3.86Å; W185-R192 HydrophobicContact CE3-CG 4.17Å; W185-R192 HydrophobicContact CH2-CB 4.19Å; W185-R192 WeakPolarHBondContact CH2-O 3.11Å; W185-R192 HydrophobicContact CZ3-CB 3.66Å; W185-R192 HydrophobicContact CZ3-CG 4.25Å; W185-R192 WeakPolarHBondContact CZ3-O 3.48Å; W185-L196 HydrophobicContact CH2-CB 4.04Å; W185-L196 HydrophobicContact CZ3-CB 4.03Å
186N94.4Very high95.5Very high153 Ų15358.6 Ų58.682%0.81828%0.278SS*.SBendtrans-61.8-15.5176.4-60.7-3000115.6Q180Q180-N186 PolarHBondContact OE1-O 3.46Å
187R94.1Very high95.6Very high173 Ų17357.9 Ų57.965%0.65328%0.276SS*.SBendtrans-158.7124.6-178.8-178.5175.5178.6176.82.7110.5W185 T189 R192W185-R187 PolarHBondContact O-N 2.94Å; R187-T189 HydrophobicContact CG-CG2 4.4Å; R187-R192 WeakPolarHBondContact O-CD 3.25Å; R187-R192 PolarHBondContact O-NH1 3.16Å
188M94.8Very high95.6Very high10 Ų1055 Ų555%0.04926%0.257CS..  trans-85.2145.1171.3-166.75782.300111.2F176 L179 Q180 T183 W185 R192 L196F176-M188 HydrophobicContact CB-CB 3.81Å; F176-M188 HydrophobicContact CB-CG 4.11Å; F176-M188 HydrophobicContact CD1-CG 3.92Å; F176-M188 HydrophobicContact CD2-CB 4.01Å; F176-M188 HydrophobicContact CD2-CG 3.92Å; F176-M188 HydrophobicContact CE1-CG 4.37Å; F176-M188 HydrophobicContact CE2-CG 4.36Å; F176-M188 HydrophobicContact CG-CB 3.85Å; F176-M188 HydrophobicContact CG-CG 3.68Å; F176-M188 WeakPolarHBondContact O-CB 3.09Å; L179-M188 HydrophobicContact CB-CE 3.41Å; L179-M188 VanDerWaalsContact CB-CE 3.41Å; L179-M188 HydrophobicContact CD1-CE 3.97Å; L179-M188 HydrophobicContact CD1-CG 4.48Å; L179-M188 HydrophobicContact CG-CE 4.25Å; Q180-M188 HydrophobicContact CG-CB 4.41Å; T183-M188 HydrophobicContact CG2-CE 4.16Å; W185-M188 HydrophobicContact CE3-CE 3.45Å; W185-M188 VanDerWaalsContact CE3-CE 3.45Å; W185-M188 HydrophobicContact CE3-SD 3.73Å; W185-M188 HydrophobicContact CZ3-CE 3.66Å; W185-M188 HydrophobicContact CZ3-SD 3.8Å; M188-R192 HydrophobicContact SD-CB 3.59Å; M188-R192 VanDerWaalsContact SD-CB 3.59Å; M188-L196 HydrophobicContact CE-CD2 4.19Å
189T93.4Very high95.7Very high48 Ų4850.2 Ų50.229%0.29424%0.235SC..  trans-142.8160.8175.260.80000108.5R187 K191 R192 M193R187-T189 HydrophobicContact CG-CG2 4.4Å; T189-K191 PolarHBondContact O-N 3.47Å; T189-R192 CarbonylContact O-C 3.42Å; T189-R192 PolarHBondContact O-N 3.32Å; T189-R192 PolarHBondContact OG1-N 2.99Å; T189-R192 VanDerWaalsContact OG1-N 3.14Å; T189-M193 PolarHBondContact O-N 2.88Å
190L92.8Very high95.7Very high16 Ų1650.2 Ų50.28%0.08424%0.235CC..Hα-helixtrans-56-33.9174-78.9175.1000113.2I168 P169 F176 M193 S194 L236 Y239 W240I168-L190 HydrophobicContact CG2-CD1 4.3Å; I168-L190 HydrophobicContact CG2-CD2 4.25Å; P169-L190 HydrophobicContact CG-CD1 3.64Å; P169-L190 HydrophobicContact CG-CG 3.96Å; F176-L190 HydrophobicContact CZ-CD2 4.01Å; F176-L190 HydrophobicContact CZ-CG 4.32Å; L190-M193 PolarHBondContact O-N 3.42Å; L190-S194 WeakPolarHBondContact O-CB 3.17Å; L190-S194 PolarHBondContact O-N 2.89Å; L190-L236 HydrophobicContact CD2-CB 4.3Å; L190-L236 HydrophobicContact CD2-CD2 4.15Å; L190-Y239 HydrophobicContact CD1-CD1 3.96Å; L190-Y239 HydrophobicContact CD1-CE1 3.76Å; L190-Y239 HydrophobicContact CD2-CD1 4.49Å; L190-W240 HydrophobicContact CB-CB 4.2Å; L190-W240 HydrophobicContact CB-CG 4.14Å
191K91.7Very high95.7Very high101 Ų10148.9 Ų48.944%0.43923%0.23SC..Hα-helixtrans-65.9-41.8174-177.9176.3-179.6178.40112.3T189 S194 R195 W240T189-K191 PolarHBondContact O-N 3.47Å; K191-S194 PolarHBondContact O-N 3.22Å; K191-R195 WeakPolarHBondContact O-CG 3.27Å; K191-R195 PolarHBondContact O-N 2.9Å; K191-W240 HydrophobicContact CB-CZ2 3.96Å; K191-W240 HydrophobicContact CD-CZ2 4.08Å; K191-W240 HydrophobicContact CG-CH2 4.19Å; K191-W240 HydrophobicContact CG-CZ2 3.7Å
192R95Very high95.8Very high82 Ų8242.2 Ų42.231%0.30920%0.199SC..Hα-helixtrans-69.7-39.6175.7-82.8-179.3172.1172.2-3.3111.3W185 R187 M188 T189 S194 R195 L196W185-R192 HydrophobicContact CD2-CG 4.38Å; W185-R192 HydrophobicContact CE3-CB 3.86Å; W185-R192 HydrophobicContact CE3-CG 4.17Å; W185-R192 HydrophobicContact CH2-CB 4.19Å; W185-R192 WeakPolarHBondContact CH2-O 3.11Å; W185-R192 HydrophobicContact CZ3-CB 3.66Å; W185-R192 HydrophobicContact CZ3-CG 4.25Å; W185-R192 WeakPolarHBondContact CZ3-O 3.48Å; R187-R192 WeakPolarHBondContact O-CD 3.25Å; R187-R192 PolarHBondContact O-NH1 3.16Å; M188-R192 HydrophobicContact SD-CB 3.59Å; M188-R192 VanDerWaalsContact SD-CB 3.59Å; T189-R192 CarbonylContact O-C 3.42Å; T189-R192 PolarHBondContact O-N 3.32Å; T189-R192 PolarHBondContact OG1-N 2.99Å; T189-R192 VanDerWaalsContact OG1-N 3.14Å; R192-S194 VanDerWaalsContact C-N 3.34Å; R192-S194 PolarHBondContact O-N 3.34Å; R192-R195 WeakPolarHBondContact O-CB 3.41Å; R192-R195 PolarHBondContact O-N 2.9Å; R192-R195 VanDerWaalsContact O-N 3.08Å; R192-L196 PolarHBondContact O-N 2.95Å
193M95.5Very high95.7Very high0 Ų039.4 Ų39.40%019%0.185CC..Hα-helixtrans-57.6-46.4171-178.163.684.900111.4M175 F176 L179 T189 L190 R195 L196 A197 F229 A233 L236M175-M193 HydrophobicContact CG-CE 4.44Å; M175-M193 HydrophobicContact SD-CE 4.06Å; F176-M193 HydrophobicContact CD1-CE 3.84Å; F176-M193 HydrophobicContact CE1-CE 3.42Å; F176-M193 VanDerWaalsContact CE1-CE 3.42Å; F176-M193 HydrophobicContact CZ-CE 4.42Å; L179-M193 HydrophobicContact CD1-CE 3.27Å; L179-M193 HydrophobicContact CD1-SD 4.22Å; T189-M193 PolarHBondContact O-N 2.88Å; L190-M193 PolarHBondContact O-N 3.42Å; M193-R195 PolarHBondContact O-N 3.19Å; M193-L196 PolarHBondContact O-N 3.07Å; M193-A197 WeakPolarHBondContact O-CB 3.47Å; M193-A197 PolarHBondContact O-N 2.66Å; M193-F229 HydrophobicContact CE-CE2 4.21Å; M193-F229 HydrophobicContact CE-CZ 4.35Å; M193-F229 HydrophobicContact SD-CE2 4.27Å; M193-F229 HydrophobicContact SD-CZ 3.9Å; M193-A233 HydrophobicContact SD-CB 3.9Å; M193-L236 HydrophobicContact CE-CD1 3.93Å; M193-L236 HydrophobicContact CG-CB 3.84Å; M193-L236 HydrophobicContact CG-CD1 4.05Å
194S94.9Very high95.7Very high7 Ų745.4 Ų45.45%0.04921%0.211CC..Hα-helixtrans-59.4-33.7175.1173.50000113L190 K191 R192 D198L190-S194 WeakPolarHBondContact O-CB 3.17Å; L190-S194 PolarHBondContact O-N 2.89Å; K191-S194 PolarHBondContact O-N 3.22Å; R192-S194 VanDerWaalsContact C-N 3.34Å; R192-S194 PolarHBondContact O-N 3.34Å; S194-D198 PolarHBondContact O-N 3.29Å
195R95Very high95.6Very high110 Ų11049.1 Ų49.142%0.41522%0.221SC..Hα-helixtrans-74.6-44.4176-72.6175.8177-179.5-7.2111.4K191 R192 M193 A197 D198 T199K191-R195 WeakPolarHBondContact O-CG 3.27Å; K191-R195 PolarHBondContact O-N 2.9Å; R192-R195 WeakPolarHBondContact O-CB 3.41Å; R192-R195 PolarHBondContact O-N 2.9Å; R192-R195 VanDerWaalsContact O-N 3.08Å; M193-R195 PolarHBondContact O-N 3.19Å; R195-A197 VanDerWaalsContact C-N 3.32Å; R195-A197 PolarHBondContact O-N 3.23Å; R195-D198 WeakPolarHBondContact O-CB 3.41Å; R195-D198 PolarHBondContact O-N 3.38Å; R195-D198 VanDerWaalsContact O-N 3.11Å; R195-T199 PolarHBondContact O-N 3.07Å; R195-T199 PolarHBondContact O-OG1 3.35Å; R195-T199 VanDerWaalsContact O-OG1 3.12Å
196L97.4Very high95.5Very high0 Ų050.4 Ų50.40%024%0.238CC..Hα-helixtrans-56.8-47.2177-176.660.8000111.4Y37 L179 T183 W185 M188 R192 M193 D198 T199 L200 W213 F229Y37-L196 HydrophobicContact CD1-CD1 3.36Å; Y37-L196 HydrophobicContact CE1-CD1 3.54Å; Y37-L196 HydrophobicContact CG-CD1 4.04Å; L179-L196 HydrophobicContact CD2-CD2 4.04Å; T183-L196 HydrophobicContact CG2-CD1 3.99Å; T183-L196 HydrophobicContact CG2-CD2 3.83Å; W185-L196 HydrophobicContact CH2-CB 4.04Å; W185-L196 HydrophobicContact CZ3-CB 4.03Å; M188-L196 HydrophobicContact CE-CD2 4.19Å; R192-L196 PolarHBondContact O-N 2.95Å; M193-L196 PolarHBondContact O-N 3.07Å; L196-D198 PolarHBondContact O-N 3.18Å; L196-T199 PolarHBondContact O-N 3.07Å; L196-L200 HydrophobicContact CD1-CD1 4.12Å; L196-L200 HydrophobicContact CD1-CG 4.3Å; L196-L200 HydrophobicContact CG-CD1 3.99Å; L196-L200 WeakPolarHBondContact O-CG 3.26Å; L196-L200 PolarHBondContact O-N 3.27Å; L196-W213 HydrophobicContact CD1-CH2 4.17Å; L196-F229 HydrophobicContact CD2-CE1 4.02Å; L196-F229 HydrophobicContact CD2-CZ 3.76Å; L196-F229 HydrophobicContact CG-CE1 4.46Å
197A97.4Very high95.5Very high0 Ų046.5 Ų46.50%023%0.233CC..Hα-helixtrans-61.6-41.4175.100000112.6M193 R195 L201 A233 R237M193-A197 WeakPolarHBondContact O-CB 3.47Å; M193-A197 PolarHBondContact O-N 2.66Å; R195-A197 VanDerWaalsContact C-N 3.32Å; R195-A197 PolarHBondContact O-N 3.23Å; A197-L201 WeakPolarHBondContact O-CB 3.38Å; A197-L201 WeakPolarHBondContact O-CD1 3.39Å; A197-L201 WeakPolarHBondContact O-CG 3.23Å; A197-L201 PolarHBondContact O-N 3.34Å; A197-L201 VanDerWaalsContact O-N 3.09Å; A197-A233 HydrophobicContact CB-CB 3.89Å; A197-A233 WeakPolarHBondContact CB-O 3.22Å; A197-R237 HydrophobicContact CB-CB 3.95Å
198D96.7Very high95.6Very high15 Ų1540.2 Ų40.28%0.0821%0.212CC..Hα-helixtrans-60.2-47.7175.9-165.573.7000111R31 S194 R195 L196 L202 R237R31-D198 IonicContact CZ-OD2 2.93Å; R31-D198 IonicContact NH1-OD2 2.75Å; R31-D198 PolarHBondContact NH1-OD2 3.12Å; R31-D198 IonicContact NH2-OD1 2.64Å; R31-D198 PolarHBondContact NH2-OD1 3.31Å; R31-D198 IonicContact NH2-OD2 3.13Å; R31-D198 PolarHBondContact NH2-OD2 2.8Å; S194-D198 PolarHBondContact O-N 3.29Å; R195-D198 WeakPolarHBondContact O-CB 3.41Å; R195-D198 PolarHBondContact O-N 3.38Å; R195-D198 VanDerWaalsContact O-N 3.11Å; L196-D198 PolarHBondContact O-N 3.18Å; D198-L202 WeakPolarHBondContact O-CB 3.24Å; D198-L202 WeakPolarHBondContact O-CG 3.28Å; D198-L202 PolarHBondContact O-N 2.93Å; D198-R237 IonicContact OD1-CZ 3.77Å; D198-R237 VanDerWaalsContact OD1-CZ 3.23Å; D198-R237 IonicContact OD1-NE 3.35Å; D198-R237 IonicContact OD1-NH1 2.95Å; D198-R237 IonicContact OD1-NH2 3.88Å; D198-R237 PolarHBondContact OD1-NH2 3.02Å
199T97.4Very high95.7Very high3 Ų347.8 Ų47.82%0.01825%0.245CC..Hα-helixtrans-59.7-55.2178.8-64.40000112S35 T36 Y37 R195 L196 L201 L202 E203S35-T199 PolarHBondContact O-OG1 3.31Å; S35-T199 VanDerWaalsContact O-OG1 3.1Å; T36-T199 WeakPolarHBondContact OG1-CG2 3.22Å; Y37-T199 HydrophobicContact CD1-CG2 4.34Å; Y37-T199 HydrophobicContact CE1-CG2 4.08Å; R195-T199 PolarHBondContact O-N 3.07Å; R195-T199 PolarHBondContact O-OG1 3.35Å; R195-T199 VanDerWaalsContact O-OG1 3.12Å; L196-T199 PolarHBondContact O-N 3.07Å; T199-L201 VanDerWaalsContact C-N 3.31Å; T199-L201 PolarHBondContact O-N 2.75Å; T199-L202 PolarHBondContact O-N 3.33Å; T199-L202 VanDerWaalsContact O-N 3.13Å; T199-E203 WeakPolarHBondContact CG2-OE1 3.01Å; T199-E203 WeakPolarHBondContact O-CG 3.29Å; T199-E203 PolarHBondContact O-N 3.39Å
200L97.9Very high95.9Very high0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-62.5-36-178.1-66.6170.3000112.9Y37 L196 K204 I210 W213 A214 F229 L230Y37-L200 HydrophobicContact CE1-CD2 4.37Å; L196-L200 HydrophobicContact CD1-CD1 4.12Å; L196-L200 HydrophobicContact CD1-CG 4.3Å; L196-L200 HydrophobicContact CG-CD1 3.99Å; L196-L200 WeakPolarHBondContact O-CG 3.26Å; L196-L200 PolarHBondContact O-N 3.27Å; L200-K204 WeakPolarHBondContact O-CB 3.32Å; L200-K204 PolarHBondContact O-N 3.29Å; L200-I210 HydrophobicContact CD2-CB 4.44Å; L200-I210 HydrophobicContact CD2-CG2 4.43Å; L200-I210 WeakPolarHBondContact O-CG2 3.4Å; L200-W213 HydrophobicContact CD1-CH2 4Å; L200-W213 HydrophobicContact CD1-CZ3 4Å; L200-W213 HydrophobicContact CD2-CH2 4.2Å; L200-A214 HydrophobicContact CD1-CB 4Å; L200-A214 HydrophobicContact CD2-CB 4.21Å; L200-F229 HydrophobicContact CD1-CD1 4.23Å; L200-F229 HydrophobicContact CD1-CE1 3.8Å; L200-L230 HydrophobicContact CB-CD1 3.7Å; L200-L230 HydrophobicContact CD1-CD1 4.3Å
201L97Very high96.1Very high35 Ų3547.2 Ų47.218%0.18324%0.241CC..Hα-helixtrans-66-44.7175.1-75.1166.9000111.4A197 T199 K204 E205 L230 T234A197-L201 WeakPolarHBondContact O-CB 3.38Å; A197-L201 WeakPolarHBondContact O-CD1 3.39Å; A197-L201 WeakPolarHBondContact O-CG 3.23Å; A197-L201 PolarHBondContact O-N 3.34Å; A197-L201 VanDerWaalsContact O-N 3.09Å; T199-L201 VanDerWaalsContact C-N 3.31Å; T199-L201 PolarHBondContact O-N 2.75Å; L201-K204 PolarHBondContact O-N 3.45Å; L201-E205 WeakPolarHBondContact O-CB 3.38Å; L201-E205 VanDerWaalsContact O-CG 3.29Å; L201-E205 WeakPolarHBondContact O-CG 3.33Å; L201-E205 PolarHBondContact O-N 3.08Å; L201-L230 HydrophobicContact CD2-CD1 4.17Å; L201-L230 HydrophobicContact CD2-CD2 4.11Å; L201-L230 HydrophobicContact CD2-CG 4.22Å; L201-L230 HydrophobicContact CG-CD1 4.06Å; L201-T234 HydrophobicContact CD1-CG2 4.4Å
202L97Very high96.4Very high19 Ų1948.4 Ų48.410%0.09925%0.248CC..Hα-helixtrans-65.9-40.1179.4-71.1171000111.8E30 R31 P33 W47 D198 T199 E205 A206E30-L202 HydrophobicContact CG-CD2 4.37Å; R31-L202 WeakPolarHBondContact O-CD2 3.31Å; P33-L202 HydrophobicContact CB-CD1 4.21Å; P33-L202 HydrophobicContact CG-CB 4.08Å; P33-L202 HydrophobicContact CG-CD1 3.91Å; W47-L202 HydrophobicContact CH2-CB 4.05Å; D198-L202 WeakPolarHBondContact O-CB 3.24Å; D198-L202 WeakPolarHBondContact O-CG 3.28Å; D198-L202 PolarHBondContact O-N 2.93Å; T199-L202 PolarHBondContact O-N 3.33Å; T199-L202 VanDerWaalsContact O-N 3.13Å; L202-E205 PolarHBondContact O-N 3.28Å; L202-A206 VanDerWaalsContact O-CB 3.27Å; L202-A206 WeakPolarHBondContact O-CB 3.16Å; L202-A206 PolarHBondContact O-N 3.45Å
203E97.1Very high96.5Very high0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-58.8-49.5173.2-74.6166.8-164.600111.1Y42 W47 T199 E205 A206 G207 M208 I210Y42-E203 HydrophobicContact CD2-CG 4.17Å; W47-E203 HydrophobicContact CH2-CG 4.2Å; W47-E203 HydrophobicContact CZ2-CG 3.69Å; T199-E203 WeakPolarHBondContact CG2-OE1 3.01Å; T199-E203 WeakPolarHBondContact O-CG 3.29Å; T199-E203 PolarHBondContact O-N 3.39Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 2.95Å; E203-A206 CarbonylContact O-C 3.45Å; E203-A206 PolarHBondContact O-N 3.47Å; E203-G207 PolarHBondContact O-N 3.07Å; E203-M208 HydrophobicContact CB-CB 4.12Å; E203-M208 HydrophobicContact CB-SD 4.49Å; E203-M208 HydrophobicContact CG-SD 4.2Å; E203-M208 WeakPolarHBondContact O-CB 3.48Å; E203-M208 PolarHBondContact O-N 3.27Å; E203-I210 HydrophobicContact CB-CG2 3.82Å
204K96.2Very high96.6Very high126 Ų12646.4 Ų46.455%0.54824%0.241SC..Hα-helixtrans-59.8-43.8177.4-175.6179.6179.3179.20111.8L200 L201 A206 G207 I210 L230L200-K204 WeakPolarHBondContact O-CB 3.32Å; L200-K204 PolarHBondContact O-N 3.29Å; L201-K204 PolarHBondContact O-N 3.45Å; K204-A206 VanDerWaalsContact C-N 3.31Å; K204-A206 PolarHBondContact O-N 3.45Å; K204-G207 PolarHBondContact O-N 3.23Å; K204-G207 VanDerWaalsContact O-N 3.16Å; K204-I210 HydrophobicContact CB-CG2 4.07Å; K204-I210 HydrophobicContact CD-CD1 4.38Å; K204-L230 HydrophobicContact CD-CD2 3.95Å
205E94.7Very high96.7Very high105 Ų10548.8 Ų48.849%0.49126%0.255SS..Hα-helixtrans-67-30.8177.8-75.1172.7-176.600112.9L201 L202 E203 G207L201-E205 WeakPolarHBondContact O-CB 3.38Å; L201-E205 VanDerWaalsContact O-CG 3.29Å; L201-E205 WeakPolarHBondContact O-CG 3.33Å; L201-E205 PolarHBondContact O-N 3.08Å; L202-E205 PolarHBondContact O-N 3.28Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 2.95Å; E205-G207 PolarHBondContact O-N 2.82Å
206A94.6Very high96.9Very high56 Ų5646.7 Ų46.746%0.46325%0.252SS..THydrogen-bonded Turntrans-78.7-0.9173.900000113.4W47 L202 E203 K204 M208W47-A206 HydrophobicContact CH2-CB 4.13Å; W47-A206 HydrophobicContact CZ3-CB 3.97Å; L202-A206 VanDerWaalsContact O-CB 3.27Å; L202-A206 WeakPolarHBondContact O-CB 3.16Å; L202-A206 PolarHBondContact O-N 3.45Å; E203-A206 CarbonylContact O-C 3.45Å; E203-A206 PolarHBondContact O-N 3.47Å; K204-A206 VanDerWaalsContact C-N 3.31Å; K204-A206 PolarHBondContact O-N 3.45Å; A206-M208 VanDerWaalsContact C-N 3.28Å; A206-M208 HydrophobicContact CB-CE 4.27Å; A206-M208 HydrophobicContact CB-CG 4.17Å; A206-M208 PolarHBondContact O-N 3.5Å
207G95.7Very high96.9Very high70 Ų7052 Ų5272%0.72228%0.277SS*.THydrogen-bonded Turntrans75.913.8-177.100000114.1E203 K204 E205E203-G207 PolarHBondContact O-N 3.07Å; K204-G207 PolarHBondContact O-N 3.23Å; K204-G207 VanDerWaalsContact O-N 3.16Å; E205-G207 PolarHBondContact O-N 2.82Å
208M96Very high96.9Very high42 Ų4253.3 Ų53.321%0.20728%0.282CS..  trans-77152.6174.9-58.4180-179.800110.7Y42 W47 E203 A206 I210Y42-M208 HydrophobicContact CD1-SD 4.04Å; Y42-M208 HydrophobicContact CD2-CB 4.27Å; Y42-M208 HydrophobicContact CD2-SD 4.08Å; Y42-M208 HydrophobicContact CE1-CB 4.42Å; Y42-M208 HydrophobicContact CE1-SD 4.39Å; Y42-M208 HydrophobicContact CE2-CB 3.74Å; Y42-M208 HydrophobicContact CE2-SD 4.42Å; Y42-M208 HydrophobicContact CG-SD 3.87Å; W47-M208 HydrophobicContact CD2-CE 4.12Å; W47-M208 HydrophobicContact CE3-CE 4.08Å; W47-M208 HydrophobicContact CH2-CE 4.05Å; W47-M208 HydrophobicContact CH2-SD 4Å; W47-M208 HydrophobicContact CZ2-CE 4.06Å; W47-M208 HydrophobicContact CZ2-SD 3.8Å; W47-M208 HydrophobicContact CZ3-CE 4.06Å; E203-M208 HydrophobicContact CB-CB 4.12Å; E203-M208 HydrophobicContact CB-SD 4.49Å; E203-M208 HydrophobicContact CG-SD 4.2Å; E203-M208 WeakPolarHBondContact O-CB 3.48Å; E203-M208 PolarHBondContact O-N 3.27Å; A206-M208 VanDerWaalsContact C-N 3.28Å; A206-M208 HydrophobicContact CB-CE 4.27Å; A206-M208 HydrophobicContact CB-CG 4.17Å; A206-M208 PolarHBondContact O-N 3.5Å; M208-I210 PolarHBondContact O-N 3.34Å
209K97Very high96.9Very high169 Ų16956.2 Ų56.274%0.73530%0.296SS*.  trans-82.7103.4179.9-175.2-178.9178.9-178.40109.7Y42Y42-K209 WeakPolarHBondContact CE2-O 3.47Å; Y42-K209 PolarHBondContact OH-N 3.32Å
210I97.1Very high96.9Very high21 Ų2156.1 Ų56.111%0.10830%0.296CS..  trans-66.2151.8172.861.8174.7000111.4L200 E203 K204 M208 A214 T215 L230L200-I210 HydrophobicContact CD2-CB 4.44Å; L200-I210 HydrophobicContact CD2-CG2 4.43Å; L200-I210 WeakPolarHBondContact O-CG2 3.4Å; E203-I210 HydrophobicContact CB-CG2 3.82Å; K204-I210 HydrophobicContact CB-CG2 4.07Å; K204-I210 HydrophobicContact CD-CD1 4.38Å; M208-I210 PolarHBondContact O-N 3.34Å; I210-A214 HydrophobicContact CD1-CB 4.27Å; I210-T215 HydrophobicContact CD1-CG2 3.72Å; I210-T215 HydrophobicContact CG1-CG2 4.18Å; I210-L230 HydrophobicContact CD1-CD2 4.21Å
211P97.4Very high96.8Very high31 Ų3159 Ų5920%0.20131%0.313CS..  trans-59.8148.4178.9-24.434.3000113.2Y37 W213 A214Y37-P211 WeakPolarHBondContact OH-CG 3.17Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 HydrophobicContact CB-CD2 4.04Å; P211-W213 VanDerWaalsContact CB-CE2 3.41Å; P211-W213 HydrophobicContact CB-CG 4.13Å; P211-W213 HydrophobicContact CB-CZ2 3.84Å; P211-W213 HydrophobicContact CG-CZ2 3.7Å; P211-W213 PolarHBondContact O-N 3.02Å; P211-A214 VanDerWaalsContact O-CB 3.28Å; P211-A214 WeakPolarHBondContact O-CB 3.38Å; P211-A214 PolarHBondContact O-N 3Å
212Q97.2Very high96.6Very high126 Ų12661.2 Ų61.259%0.58932%0.322SS*.Hα-helixtrans-56-42.1-178-175.156.543.400112.4A214 T215 D216Q212-A214 PolarHBondContact O-N 3.26Å; Q212-A214 VanDerWaalsContact O-N 3.07Å; Q212-T215 PolarHBondContact NE2-OG1 3.09Å; Q212-T215 WeakPolarHBondContact O-CA 3.2Å; Q212-T215 PolarHBondContact O-N 3.36Å; Q212-T215 PolarHBondContact O-OG1 3.32Å; Q212-D216 PolarHBondContact NE2-OD1 3.39Å; Q212-D216 VanDerWaalsContact O-CG 3.23Å; Q212-D216 PolarHBondContact O-N 2.94Å
213W97.3Very high96.5Very high39 Ų3964.5 Ų64.515%0.14834%0.337CS..Hα-helixtrans-59.9-21.7178.458.7-104.6000113.7Y37 L179 L182 L196 L200 P211 T215 D216 W218 F229Y37-W213 HydrophobicContact CE2-CZ2 4.1Å; L179-W213 HydrophobicContact CD2-CZ3 4.33Å; L182-W213 HydrophobicContact CD1-CB 4.19Å; L182-W213 HydrophobicContact CD1-CD2 4.05Å; L182-W213 HydrophobicContact CD1-CE3 4.28Å; L182-W213 HydrophobicContact CD1-CG 4Å; L182-W213 HydrophobicContact CD2-CG 4.26Å; L196-W213 HydrophobicContact CD1-CH2 4.17Å; L200-W213 HydrophobicContact CD1-CH2 4Å; L200-W213 HydrophobicContact CD1-CZ3 4Å; L200-W213 HydrophobicContact CD2-CH2 4.2Å; P211-W213 VanDerWaalsContact C-N 3.28Å; P211-W213 HydrophobicContact CB-CD2 4.04Å; P211-W213 VanDerWaalsContact CB-CE2 3.41Å; P211-W213 HydrophobicContact CB-CG 4.13Å; P211-W213 HydrophobicContact CB-CZ2 3.84Å; P211-W213 HydrophobicContact CG-CZ2 3.7Å; P211-W213 PolarHBondContact O-N 3.02Å; W213-T215 VanDerWaalsContact C-N 3.31Å; W213-D216 WeakPolarHBondContact CA-OD2 3.49Å; W213-W218 HydrophobicContact CB-CZ2 4.49Å; W213-W218 PolarHBondContact O-NE1 2.88Å; W213-F229 HydrophobicContact CE3-CD1 4.08Å; W213-F229 HydrophobicContact CE3-CE1 4.32Å; W213-F229 AromaticContact CZ3-CD1 3.77Å; W213-F229 HydrophobicContact CZ3-CD1 3.77Å; W213-F229 AromaticContact CZ3-CE1 3.62Å; W213-F229 HydrophobicContact CZ3-CE1 3.62Å; W213-F229 HydrophobicContact CZ3-CZ 4.38Å; W213-F229 WeakPolarHBondContact O-CB 3.42Å
214A97.5Very high96.4Very high0 Ų070.8 Ų70.80%037%0.371CS..Hα-helixtrans-75.5-22.1175.200000112.8L200 I210 P211 Q212 F229 L230L200-A214 HydrophobicContact CD1-CB 4Å; L200-A214 HydrophobicContact CD2-CB 4.21Å; I210-A214 HydrophobicContact CD1-CB 4.27Å; P211-A214 VanDerWaalsContact O-CB 3.28Å; P211-A214 WeakPolarHBondContact O-CB 3.38Å; P211-A214 PolarHBondContact O-N 3Å; Q212-A214 PolarHBondContact O-N 3.26Å; Q212-A214 VanDerWaalsContact O-N 3.07Å; A214-F229 HydrophobicContact CB-CD1 4.29Å; A214-L230 WeakPolarHBondContact O-CB 3.47Å; A214-L230 PolarHBondContact O-N 2.89Å
215T97.4Very high96.5Very high58 Ų5870.9 Ų70.936%0.35637%0.367SS..Hα-helixtrans-101.6-15.3176.957.80000113.7I210 Q212 W213I210-T215 HydrophobicContact CD1-CG2 3.72Å; I210-T215 HydrophobicContact CG1-CG2 4.18Å; Q212-T215 PolarHBondContact NE2-OG1 3.09Å; Q212-T215 WeakPolarHBondContact O-CA 3.2Å; Q212-T215 PolarHBondContact O-N 3.36Å; Q212-T215 PolarHBondContact O-OG1 3.32Å; W213-T215 VanDerWaalsContact C-N 3.31Å
216D98Very high96.6Very high65 Ų6570.1 Ų70.135%0.34837%0.37SS..SBendtrans-65159.5176.7-65.9-19.6000111.6Q212 W213 W218 P228 F229Q212-D216 PolarHBondContact NE2-OD1 3.39Å; Q212-D216 VanDerWaalsContact O-CG 3.23Å; Q212-D216 PolarHBondContact O-N 2.94Å; W213-D216 WeakPolarHBondContact CA-OD2 3.49Å; D216-W218 VanDerWaalsContact O-CD1 3.24Å; D216-P228 CarbonylContact O-C 3.56Å; D216-P228 VanDerWaalsContact O-CA 3.31Å; D216-P228 WeakPolarHBondContact O-CA 3.34Å; D216-F229 PolarHBondContact O-N 3.16Å
217Q97.8Very high96.7Very high113 Ų11367.9 Ų67.953%0.52835%0.351SS..EExtended strand (participates in β ladder)trans-81120.1-177.5-62.5-58.3-60.700111.3V227Q217-V227 WeakPolarHBondContact CA-O 3.5Å; Q217-V227 VanDerWaalsContact OE1-C 3.29Å
218W97.7Very high96.8Very high27 Ų2766.4 Ų66.410%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-120151.5178.6-69.849.2000109.7M175 Q178 L179 L182 W213 D216 D220 T226 V227 F229M175-W218 HydrophobicContact CB-CE3 4.44Å; M175-W218 HydrophobicContact CB-CZ3 4.4Å; M175-W218 HydrophobicContact CE-CB 4.2Å; M175-W218 HydrophobicContact CE-CE3 3.92Å; M175-W218 HydrophobicContact CG-CE3 3.65Å; M175-W218 HydrophobicContact CG-CZ3 3.61Å; M175-W218 HydrophobicContact SD-CE3 4.2Å; Q178-W218 HydrophobicContact CB-CH2 4.26Å; Q178-W218 HydrophobicContact CB-CZ3 4.33Å; L179-W218 HydrophobicContact CD1-CZ3 4.48Å; L179-W218 HydrophobicContact CD2-CH2 3.64Å; L179-W218 HydrophobicContact CD2-CZ2 4.48Å; L179-W218 HydrophobicContact CD2-CZ3 4.04Å; L179-W218 HydrophobicContact CG-CH2 3.93Å; L179-W218 HydrophobicContact CG-CZ3 3.94Å; L182-W218 HydrophobicContact CD1-CH2 3.64Å; L182-W218 HydrophobicContact CD1-CZ2 3.69Å; W213-W218 HydrophobicContact CB-CZ2 4.49Å; W213-W218 PolarHBondContact O-NE1 2.88Å; D216-W218 VanDerWaalsContact O-CD1 3.24Å; W218-D220 PolarHBondContact O-N 3.24Å; W218-T226 WeakPolarHBondContact O-CA 3.3Å; W218-V227 PolarHBondContact N-O 3.21Å; W218-V227 PolarHBondContact O-N 2.82Å; W218-F229 HydrophobicContact CB-CB 4.44Å; W218-F229 HydrophobicContact CD2-CB 4.01Å; W218-F229 AromaticContact CD2-CD2 3.64Å; W218-F229 HydrophobicContact CD2-CD2 3.64Å; W218-F229 HydrophobicContact CD2-CG 4.2Å; W218-F229 AromaticContact CE2-CD2 3.95Å; W218-F229 AromaticContact CE3-CD2 3.67Å; W218-F229 HydrophobicContact CE3-CD2 3.67Å; W218-F229 HydrophobicContact CE3-CE2 4.24Å; W218-F229 HydrophobicContact CG-CB 3.8Å; W218-F229 HydrophobicContact CG-CD2 4.14Å; W218-F229 HydrophobicContact CG-CG 4.45Å; W218-F229 HydrophobicContact CH2-CD2 4.29Å; W218-F229 HydrophobicContact CZ2-CD2 4.26Å; W218-F229 HydrophobicContact CZ3-CD2 4.02Å; W218-F229 HydrophobicContact CZ3-CE2 4.23Å
219M97Very high96.9Very high75 Ų7564.4 Ų64.437%0.36932%0.318SS..EExtended strand (participates in β ladder)trans-74.5120.2179-17561172.200111.2M175 V221 N224 T226M175-M219 VanDerWaalsContact CE-O 3.26Å; M175-M219 WeakPolarHBondContact CE-O 3.3Å; M219-V221 HydrophobicContact CG-CG1 4.07Å; M219-V221 PolarHBondContact O-N 3.25Å; M219-N224 HydrophobicContact CE-CB 4.35Å; M219-N224 WeakPolarHBondContact CE-OD1 3.21Å; M219-T226 HydrophobicContact SD-CG2 4.29Å
220D96.8Very high97Very high2 Ų256.7 Ų56.71%0.01129%0.285CS..EExtended strand (participates in β ladder)trans-83.799.8160.6-173-39.4000108.2Y172 W218 E222 E223 N224 R225 V227 V232 K235Y172-D220 PolarHBondContact OH-OD1 3.28Å; W218-D220 PolarHBondContact O-N 3.24Å; D220-E222 PolarHBondContact O-N 3.23Å; D220-E222 PolarHBondContact OD1-N 3.26Å; D220-E223 HydrophobicContact CB-CB 4.32Å; D220-E223 PolarHBondContact O-N 3.17Å; D220-E223 PolarHBondContact OD1-N 3.45Å; D220-N224 WeakPolarHBondContact O-CA 3.48Å; D220-N224 PolarHBondContact O-N 3.28Å; D220-R225 PolarHBondContact N-O 3.36Å; D220-R225 PolarHBondContact O-N 2.87Å; D220-V227 HydrophobicContact CB-CG2 4.42Å; D220-V232 HydrophobicContact CB-CG2 4.26Å; D220-K235 IonicContact OD1-NZ 2.7Å; D220-K235 PolarHBondContact OD1-NZ 3.35Å; D220-K235 VanDerWaalsContact OD2-CD 3.25Å; D220-K235 WeakPolarHBondContact OD2-CD 3.5Å; D220-K235 WeakPolarHBondContact OD2-CE 3.42Å; D220-K235 IonicContact OD2-NZ 2.88Å; D220-K235 PolarHBondContact OD2-NZ 3.44Å
221V95.4Very high97Very high59 Ų5959.7 Ų59.736%0.35830%0.302SS..THydrogen-bonded Turntrans-66.3-22.4-176.8-63.20000113.5K171 Y172 M219K171-V221 HydrophobicContact CB-CG2 3.86Å; K171-V221 WeakPolarHBondContact O-CG2 3.47Å; Y172-V221 HydrophobicContact CD1-CG2 3.86Å; Y172-V221 HydrophobicContact CD2-CG2 3.74Å; Y172-V221 HydrophobicContact CE1-CG2 3.65Å; Y172-V221 HydrophobicContact CE2-CG2 3.49Å; Y172-V221 VanDerWaalsContact CE2-CG2 3.49Å; Y172-V221 HydrophobicContact CG-CG2 3.92Å; Y172-V221 VanDerWaalsContact CZ-CG2 3.45Å; M219-V221 HydrophobicContact CG-CG1 4.07Å; M219-V221 PolarHBondContact O-N 3.25Å
222E93.4Very high97Very high82 Ų8258.3 Ų58.338%0.38329%0.292SS..THydrogen-bonded Turntrans-81.5-33.9177.9-71.6-63.978.500111.9I168 K171 Y172 D220I168-E222 HydrophobicContact CD1-CG 4.15Å; I168-E222 VanDerWaalsContact CD1-OE2 3.24Å; I168-E222 WeakPolarHBondContact CD1-OE2 3.23Å; K171-E222 WeakPolarHBondContact CD-OE1 3.19Å; K171-E222 VanDerWaalsContact CE-OE1 3.32Å; K171-E222 WeakPolarHBondContact CE-OE1 3.45Å; K171-E222 IonicContact NZ-OE1 3.23Å; K171-E222 PolarHBondContact NZ-OE1 3.29Å; K171-E222 IonicContact NZ-OE2 3.41Å; K171-E222 PolarHBondContact NZ-OE2 3.01Å; Y172-E222 HydrophobicContact CE2-CG 3.92Å; D220-E222 PolarHBondContact O-N 3.23Å; D220-E222 PolarHBondContact OD1-N 3.26Å
223E94.6Very high97Very high89 Ų8952.3 Ų52.342%0.41626%0.264SS..THydrogen-bonded Turntrans-98.2-3.2179.6-73.2171.9-147.300113.3D220 R225 K235D220-E223 HydrophobicContact CB-CB 4.32Å; D220-E223 PolarHBondContact O-N 3.17Å; D220-E223 PolarHBondContact OD1-N 3.45Å; E223-R225 VanDerWaalsContact C-N 3.26Å; E223-R225 HydrophobicContact CB-CG 3.9Å; E223-R225 PolarHBondContact O-N 3.31Å; E223-R225 IonicContact OE2-CZ 3.14Å; E223-R225 IonicContact OE2-NE 2.72Å; E223-R225 PolarHBondContact OE2-NE 3.08Å; E223-R225 IonicContact OE2-NH2 2.71Å; E223-R225 PolarHBondContact OE2-NH2 3.32Å; E223-K235 VanDerWaalsContact CD-NZ 3.33Å; E223-K235 IonicContact OE1-NZ 2.6Å; E223-K235 PolarHBondContact OE1-NZ 3.49Å
224N95.7Very high97Very high131 Ų13151.9 Ų51.970%0.70127%0.266SS*.THydrogen-bonded Turntrans50.744.1-178.7-165.549.4000113M219 D220M219-N224 HydrophobicContact CE-CB 4.35Å; M219-N224 WeakPolarHBondContact CE-OD1 3.21Å; D220-N224 WeakPolarHBondContact O-CA 3.48Å; D220-N224 PolarHBondContact O-N 3.28Å
225R97.2Very high96.9Very high128 Ų12854.7 Ų54.748%0.48328%0.278SS..EExtended strand (participates in β ladder)trans-143.4155.8-18066.4179.2-177.3117.23.4111.5D220 E223 V227D220-R225 PolarHBondContact N-O 3.36Å; D220-R225 PolarHBondContact O-N 2.87Å; E223-R225 VanDerWaalsContact C-N 3.26Å; E223-R225 HydrophobicContact CB-CG 3.9Å; E223-R225 PolarHBondContact O-N 3.31Å; E223-R225 IonicContact OE2-CZ 3.14Å; E223-R225 IonicContact OE2-NE 2.72Å; E223-R225 PolarHBondContact OE2-NE 3.08Å; E223-R225 IonicContact OE2-NH2 2.71Å; E223-R225 PolarHBondContact OE2-NH2 3.32Å; R225-V227 HydrophobicContact CG-CG1 4.2Å; R225-V227 VanDerWaalsContact CZ-CG1 3.43Å
226T97.6Very high96.8Very high90 Ų9052 Ų5255%0.55226%0.262SS*.EExtended strand (participates in β ladder)trans-91.6135.6171.654.30000111W218 M219W218-T226 WeakPolarHBondContact O-CA 3.3Å; M219-T226 HydrophobicContact SD-CG2 4.29Å
227V97.7Very high96.7Very high8 Ų850.2 Ų50.25%0.04825%0.25CS..EExtended strand (participates in β ladder)trans-145.6164.1177.9-65.20000109.8Q217 W218 D220 R225 F229 D231 V232Q217-V227 WeakPolarHBondContact CA-O 3.5Å; Q217-V227 VanDerWaalsContact OE1-C 3.29Å; W218-V227 PolarHBondContact N-O 3.21Å; W218-V227 PolarHBondContact O-N 2.82Å; D220-V227 HydrophobicContact CB-CG2 4.42Å; R225-V227 HydrophobicContact CG-CG1 4.2Å; R225-V227 VanDerWaalsContact CZ-CG1 3.43Å; V227-F229 PolarHBondContact O-N 2.87Å; V227-D231 HydrophobicContact CB-CB 4.41Å; V227-D231 HydrophobicContact CG2-CB 4.18Å; V227-V232 HydrophobicContact CG2-CG2 3.33Å
228P98Very high96.6Very high39 Ų3950.4 Ų50.425%0.25325%0.246SC..EExtended strand (participates in β ladder)trans-49.8137.1170.5-27.235.1000112.1D216 L230 D231 V232D216-P228 CarbonylContact O-C 3.56Å; D216-P228 VanDerWaalsContact O-CA 3.31Å; D216-P228 WeakPolarHBondContact O-CA 3.34Å; P228-L230 PolarHBondContact O-N 3.08Å; P228-L230 VanDerWaalsContact O-N 3.13Å; P228-D231 WeakPolarHBondContact O-CB 3.35Å; P228-D231 PolarHBondContact O-N 3.26Å; P228-V232 PolarHBondContact O-N 3.23Å
229F98Very high96.4Very high0 Ų051.7 Ų51.70%025%0.252CS..Hα-helixtrans-49.5-42.8178.5169.2-100.3000112.6M175 L179 M193 L196 L200 W213 A214 D216 W218 V227 D231 V232 A233M175-F229 HydrophobicContact SD-CE2 4.24Å; L179-F229 HydrophobicContact CD1-CE2 3.76Å; L179-F229 HydrophobicContact CD1-CZ 3.97Å; L179-F229 HydrophobicContact CD2-CD2 4.46Å; L179-F229 HydrophobicContact CD2-CE1 4.35Å; L179-F229 HydrophobicContact CD2-CE2 3.67Å; L179-F229 HydrophobicContact CD2-CZ 3.58Å; L179-F229 HydrophobicContact CG-CE2 4.24Å; L179-F229 HydrophobicContact CG-CZ 4.42Å; M193-F229 HydrophobicContact CE-CE2 4.21Å; M193-F229 HydrophobicContact CE-CZ 4.35Å; M193-F229 HydrophobicContact SD-CE2 4.27Å; M193-F229 HydrophobicContact SD-CZ 3.9Å; L196-F229 HydrophobicContact CD2-CE1 4.02Å; L196-F229 HydrophobicContact CD2-CZ 3.76Å; L196-F229 HydrophobicContact CG-CE1 4.46Å; L200-F229 HydrophobicContact CD1-CD1 4.23Å; L200-F229 HydrophobicContact CD1-CE1 3.8Å; W213-F229 HydrophobicContact CE3-CD1 4.08Å; W213-F229 HydrophobicContact CE3-CE1 4.32Å; W213-F229 AromaticContact CZ3-CD1 3.77Å; W213-F229 HydrophobicContact CZ3-CD1 3.77Å; W213-F229 AromaticContact CZ3-CE1 3.62Å; W213-F229 HydrophobicContact CZ3-CE1 3.62Å; W213-F229 HydrophobicContact CZ3-CZ 4.38Å; W213-F229 WeakPolarHBondContact O-CB 3.42Å; A214-F229 HydrophobicContact CB-CD1 4.29Å; D216-F229 PolarHBondContact O-N 3.16Å; W218-F229 HydrophobicContact CB-CB 4.44Å; W218-F229 HydrophobicContact CD2-CB 4.01Å; W218-F229 AromaticContact CD2-CD2 3.64Å; W218-F229 HydrophobicContact CD2-CD2 3.64Å; W218-F229 HydrophobicContact CD2-CG 4.2Å; W218-F229 AromaticContact CE2-CD2 3.95Å; W218-F229 AromaticContact CE3-CD2 3.67Å; W218-F229 HydrophobicContact CE3-CD2 3.67Å; W218-F229 HydrophobicContact CE3-CE2 4.24Å; W218-F229 HydrophobicContact CG-CB 3.8Å; W218-F229 HydrophobicContact CG-CD2 4.14Å; W218-F229 HydrophobicContact CG-CG 4.45Å; W218-F229 HydrophobicContact CH2-CD2 4.29Å; W218-F229 HydrophobicContact CZ2-CD2 4.26Å; W218-F229 HydrophobicContact CZ3-CD2 4.02Å; W218-F229 HydrophobicContact CZ3-CE2 4.23Å; V227-F229 PolarHBondContact O-N 2.87Å; F229-D231 PolarHBondContact O-N 3.44Å; F229-V232 PolarHBondContact O-N 3.12Å; F229-V232 VanDerWaalsContact O-N 3.1Å; F229-A233 HydrophobicContact CD1-CB 4.29Å; F229-A233 HydrophobicContact CE1-CB 3.73Å; F229-A233 HydrophobicContact CE2-CB 4.21Å; F229-A233 HydrophobicContact CZ-CB 3.69Å; F229-A233 WeakPolarHBondContact O-CB 3.39Å; F229-A233 PolarHBondContact O-N 3.49Å
230L97.6Very high96.1Very high7 Ų751 Ų514%0.03725%0.245CC..Hα-helixtrans-56.5-32.8-179.6-172.558.8000112.7L200 L201 K204 I210 A214 P228 T234L200-L230 HydrophobicContact CB-CD1 3.7Å; L200-L230 HydrophobicContact CD1-CD1 4.3Å; L201-L230 HydrophobicContact CD2-CD1 4.17Å; L201-L230 HydrophobicContact CD2-CD2 4.11Å; L201-L230 HydrophobicContact CD2-CG 4.22Å; L201-L230 HydrophobicContact CG-CD1 4.06Å; K204-L230 HydrophobicContact CD-CD2 3.95Å; I210-L230 HydrophobicContact CD1-CD2 4.21Å; A214-L230 WeakPolarHBondContact O-CB 3.47Å; A214-L230 PolarHBondContact O-N 2.89Å; P228-L230 PolarHBondContact O-N 3.08Å; P228-L230 VanDerWaalsContact O-N 3.13Å; L230-T234 VanDerWaalsContact O-CB 3.25Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 PolarHBondContact O-N 3.3Å; L230-T234 PolarHBondContact O-OG1 2.91Å
231D97.5Very high95.8Very high85 Ų8553.6 Ų53.646%0.45526%0.257SS..Hα-helixtrans-71.8-44.8178.1-65.3-8.3000110.7V227 P228 F229 T234 K235V227-D231 HydrophobicContact CB-CB 4.41Å; V227-D231 HydrophobicContact CG2-CB 4.18Å; P228-D231 WeakPolarHBondContact O-CB 3.35Å; P228-D231 PolarHBondContact O-N 3.26Å; F229-D231 PolarHBondContact O-N 3.44Å; D231-T234 PolarHBondContact O-N 2.92Å; D231-K235 PolarHBondContact O-N 3.02Å
232V97.4Very high95.5Very high1 Ų153.5 Ų53.51%0.00626%0.259CS..Hα-helixtrans-61.1-46.5173.9-170.20000110.8Y172 M175 D220 V227 P228 F229 T234 K235 L236Y172-V232 HydrophobicContact CD1-CG1 4.34Å; Y172-V232 HydrophobicContact CE1-CG1 3.64Å; M175-V232 HydrophobicContact CE-CB 4.43Å; M175-V232 HydrophobicContact CE-CG1 3.8Å; M175-V232 HydrophobicContact SD-CG1 4.02Å; D220-V232 HydrophobicContact CB-CG2 4.26Å; V227-V232 HydrophobicContact CG2-CG2 3.33Å; P228-V232 PolarHBondContact O-N 3.23Å; F229-V232 PolarHBondContact O-N 3.12Å; F229-V232 VanDerWaalsContact O-N 3.1Å; V232-T234 VanDerWaalsContact C-N 3.31Å; V232-T234 PolarHBondContact O-N 2.91Å; V232-K235 WeakPolarHBondContact O-CB 3.2Å; V232-K235 PolarHBondContact O-N 3Å; V232-L236 HydrophobicContact CG1-CD1 4.19Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.35Å; V232-L236 PolarHBondContact O-N 2.83Å
233A97.4Very high95.2Very high0 Ų050 Ų500%024%0.243CC..Hα-helixtrans-62.4-40.1-18000000111.3M193 A197 F229 L236 R237M193-A233 HydrophobicContact SD-CB 3.9Å; A197-A233 HydrophobicContact CB-CB 3.89Å; A197-A233 WeakPolarHBondContact CB-O 3.22Å; F229-A233 HydrophobicContact CD1-CB 4.29Å; F229-A233 HydrophobicContact CE1-CB 3.73Å; F229-A233 HydrophobicContact CE2-CB 4.21Å; F229-A233 HydrophobicContact CZ-CB 3.69Å; F229-A233 WeakPolarHBondContact O-CB 3.39Å; F229-A233 PolarHBondContact O-N 3.49Å; A233-L236 PolarHBondContact O-N 2.75Å; A233-R237 WeakPolarHBondContact O-CB 3.45Å; A233-R237 PolarHBondContact O-N 2.82Å
234T97Very high94.7Very high30 Ų3048.1 Ų48.118%0.18423%0.234CC..Hα-helixtrans-64.9-43.9175.4-61.40000111.4L201 L230 D231 V232 R237 W238L201-T234 HydrophobicContact CD1-CG2 4.4Å; L230-T234 VanDerWaalsContact O-CB 3.25Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 PolarHBondContact O-N 3.3Å; L230-T234 PolarHBondContact O-OG1 2.91Å; D231-T234 PolarHBondContact O-N 2.92Å; V232-T234 VanDerWaalsContact C-N 3.31Å; V232-T234 PolarHBondContact O-N 2.91Å; T234-R237 WeakPolarHBondContact O-CB 3.44Å; T234-R237 PolarHBondContact O-N 3.17Å; T234-W238 PolarHBondContact O-N 2.77Å
235K96.5Very high94.2Very high59 Ų5944.2 Ų44.226%0.25722%0.215SC..Hα-helixtrans-58.6-48.2172.9170.9-177.1168174.90112D220 E223 D231 V232 R237 W238 Y239D220-K235 IonicContact OD1-NZ 2.7Å; D220-K235 PolarHBondContact OD1-NZ 3.35Å; D220-K235 VanDerWaalsContact OD2-CD 3.25Å; D220-K235 WeakPolarHBondContact OD2-CD 3.5Å; D220-K235 WeakPolarHBondContact OD2-CE 3.42Å; D220-K235 IonicContact OD2-NZ 2.88Å; D220-K235 PolarHBondContact OD2-NZ 3.44Å; E223-K235 VanDerWaalsContact CD-NZ 3.33Å; E223-K235 IonicContact OE1-NZ 2.6Å; E223-K235 PolarHBondContact OE1-NZ 3.49Å; D231-K235 PolarHBondContact O-N 3.02Å; V232-K235 WeakPolarHBondContact O-CB 3.2Å; V232-K235 PolarHBondContact O-N 3Å; K235-R237 VanDerWaalsContact C-N 3.31Å; K235-R237 PolarHBondContact O-N 2.83Å; K235-W238 WeakPolarHBondContact O-CB 3.45Å; K235-W238 PolarHBondContact O-N 3.4Å; K235-Y239 PolarHBondContact O-N 2.91Å
236L95.7Very high93.7Very high3 Ų341.9 Ų41.92%0.01621%0.212CC..Hα-helixtrans-66.8-32.3179.4-70.3178.8000112.7I168 Y172 F176 L190 M193 V232 A233 Y239 W240I168-L236 HydrophobicContact CG2-CD2 3.95Å; Y172-L236 HydrophobicContact CD1-CD1 3.94Å; Y172-L236 HydrophobicContact CD2-CD1 4.43Å; Y172-L236 HydrophobicContact CD2-CD2 4.06Å; Y172-L236 HydrophobicContact CE1-CD1 4.09Å; Y172-L236 HydrophobicContact CE1-CD2 4.44Å; Y172-L236 HydrophobicContact CE2-CD2 3.75Å; Y172-L236 HydrophobicContact CG-CD1 4.11Å; F176-L236 HydrophobicContact CE1-CD1 4.28Å; L190-L236 HydrophobicContact CD2-CB 4.3Å; L190-L236 HydrophobicContact CD2-CD2 4.15Å; M193-L236 HydrophobicContact CE-CD1 3.93Å; M193-L236 HydrophobicContact CG-CB 3.84Å; M193-L236 HydrophobicContact CG-CD1 4.05Å; V232-L236 HydrophobicContact CG1-CD1 4.19Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.35Å; V232-L236 PolarHBondContact O-N 2.83Å; A233-L236 PolarHBondContact O-N 2.75Å; L236-Y239 PolarHBondContact O-N 2.82Å; L236-W240 WeakPolarHBondContact O-CB 3.24Å; L236-W240 PolarHBondContact O-N 2.99Å
237R95.6Very high93.1Very high27 Ų2738.5 Ų38.510%0.10219%0.192CC..Hα-helixtrans-59.3-50.9169.1170.1177.2178.6-155.12.5111.1A197 D198 A233 T234 K235 Y239 W240 Q241A197-R237 HydrophobicContact CB-CB 3.95Å; D198-R237 IonicContact OD1-CZ 3.77Å; D198-R237 VanDerWaalsContact OD1-CZ 3.23Å; D198-R237 IonicContact OD1-NE 3.35Å; D198-R237 IonicContact OD1-NH1 2.95Å; D198-R237 IonicContact OD1-NH2 3.88Å; D198-R237 PolarHBondContact OD1-NH2 3.02Å; A233-R237 WeakPolarHBondContact O-CB 3.45Å; A233-R237 PolarHBondContact O-N 2.82Å; T234-R237 WeakPolarHBondContact O-CB 3.44Å; T234-R237 PolarHBondContact O-N 3.17Å; K235-R237 VanDerWaalsContact C-N 3.31Å; K235-R237 PolarHBondContact O-N 2.83Å; R237-Y239 VanDerWaalsContact C-N 3.33Å; R237-Y239 PolarHBondContact O-N 3.06Å; R237-W240 PolarHBondContact O-N 3.46Å; R237-Q241 WeakPolarHBondContact O-CG 3.47Å; R237-Q241 PolarHBondContact O-N 3.28Å
238W94Very high92.6Very high117 Ų11745.2 Ų45.244%0.44322%0.223SC..Hα-helixtrans-60.2-43.3177.7-75.3117.9000112.3T234 K235 Q241 S242 L298T234-W238 PolarHBondContact O-N 2.77Å; K235-W238 WeakPolarHBondContact O-CB 3.45Å; K235-W238 PolarHBondContact O-N 3.4Å; W238-Q241 PolarHBondContact O-N 3.19Å; W238-S242 WeakPolarHBondContact O-CB 2.77Å; W238-S242 PolarHBondContact O-N 3.39Å; W238-S242 PolarHBondContact O-OG 3.2Å; W238-L298 HydrophobicContact CH2-CD1 3.47Å; W238-L298 VanDerWaalsContact CH2-CD1 3.47Å; W238-L298 HydrophobicContact CH2-CG 3.67Å; W238-L298 HydrophobicContact CZ3-CD1 3.29Å; W238-L298 HydrophobicContact CZ3-CD2 4.38Å; W238-L298 HydrophobicContact CZ3-CG 3.82Å
239Y93.8Very high91.9Very high54 Ų5447.3 Ų47.321%0.21223%0.229CC..Hα-helixtrans-57.9-50173.9176.9-96.3000111.6N164 E165 I168 L190 K235 L236 R237 Q241 S242 T243N164-Y239 VanDerWaalsContact C-OH 3.27Å; N164-Y239 PolarHBondContact O-OH 3.19Å; E165-Y239 WeakPolarHBondContact CA-OH 3.39Å; E165-Y239 PolarHBondContact N-OH 2.89Å; I168-Y239 HydrophobicContact CB-CD1 4.5Å; I168-Y239 HydrophobicContact CB-CE1 3.83Å; I168-Y239 HydrophobicContact CG1-CE1 3.84Å; I168-Y239 HydrophobicContact CG1-CE2 4Å; I168-Y239 WeakPolarHBondContact CG1-OH 3.45Å; I168-Y239 HydrophobicContact CG2-CD1 4.04Å; I168-Y239 HydrophobicContact CG2-CE1 3.87Å; L190-Y239 HydrophobicContact CD1-CD1 3.96Å; L190-Y239 HydrophobicContact CD1-CE1 3.76Å; L190-Y239 HydrophobicContact CD2-CD1 4.49Å; K235-Y239 PolarHBondContact O-N 2.91Å; L236-Y239 PolarHBondContact O-N 2.82Å; R237-Y239 VanDerWaalsContact C-N 3.33Å; R237-Y239 PolarHBondContact O-N 3.06Å; Y239-Q241 VanDerWaalsContact C-N 3.33Å; Y239-Q241 PolarHBondContact O-N 2.88Å; Y239-S242 PolarHBondContact O-N 2.94Å; Y239-S242 PolarHBondContact O-OG 2.94Å; Y239-T243 HydrophobicContact CD1-CG2 4.39Å; Y239-T243 HydrophobicContact CE1-CG2 3.93Å; Y239-T243 HydrophobicContact CE2-CG2 4.09Å; Y239-T243 VanDerWaalsContact O-CG2 3.25Å; Y239-T243 WeakPolarHBondContact O-CG2 3.28Å; Y239-T243 PolarHBondContact O-N 2.79Å; Y239-T243 VanDerWaalsContact O-N 3.11Å; Y239-T243 PolarHBondContact O-OG1 3.34Å
240W91.6Very high91.1Very high61 Ų6147.4 Ų47.423%0.23123%0.23CC..Hα-helixtrans-63.2-38.4179.6179.275.3000112.7L190 K191 L236 R237 T243 Q244L190-W240 HydrophobicContact CB-CB 4.2Å; L190-W240 HydrophobicContact CB-CG 4.14Å; K191-W240 HydrophobicContact CB-CZ2 3.96Å; K191-W240 HydrophobicContact CD-CZ2 4.08Å; K191-W240 HydrophobicContact CG-CH2 4.19Å; K191-W240 HydrophobicContact CG-CZ2 3.7Å; L236-W240 WeakPolarHBondContact O-CB 3.24Å; L236-W240 PolarHBondContact O-N 2.99Å; R237-W240 PolarHBondContact O-N 3.46Å; W240-T243 PolarHBondContact O-OG1 3.49Å; W240-Q244 HydrophobicContact CH2-CG 4.47Å; W240-Q244 HydrophobicContact CZ2-CG 4.34Å; W240-Q244 WeakPolarHBondContact O-CG 3.49Å; W240-Q244 PolarHBondContact O-NE2 3.07Å
241Q89.5Confident90.4Very high56 Ų5650.8 Ų50.826%0.26225%0.247SC..Hα-helixtrans-67.9-42.8178-72.4178.5-1500111.9R237 W238 Y239 T243 Q244R237-Q241 WeakPolarHBondContact O-CG 3.47Å; R237-Q241 PolarHBondContact O-N 3.28Å; W238-Q241 PolarHBondContact O-N 3.19Å; Y239-Q241 VanDerWaalsContact C-N 3.33Å; Y239-Q241 PolarHBondContact O-N 2.88Å; Q241-T243 VanDerWaalsContact C-N 3.32Å; Q241-T243 PolarHBondContact O-N 2.64Å; Q241-Q244 WeakPolarHBondContact O-CB 3.24Å; Q241-Q244 PolarHBondContact O-N 2.86Å; Q241-Q244 VanDerWaalsContact O-N 3.15Å
242S90Very high89.6Confident57 Ų5748.9 Ų48.940%0.39924%0.243SC..Hα-helixtrans-64.4-38.1179.372.50000111.5W238 Y239 Q244 V245 N246W238-S242 WeakPolarHBondContact O-CB 2.77Å; W238-S242 PolarHBondContact O-N 3.39Å; W238-S242 PolarHBondContact O-OG 3.2Å; Y239-S242 PolarHBondContact O-N 2.94Å; Y239-S242 PolarHBondContact O-OG 2.94Å; S242-Q244 PolarHBondContact O-N 2.9Å; S242-Q244 VanDerWaalsContact O-N 3.12Å; S242-V245 CarbonylContact O-C 3.56Å; S242-V245 WeakPolarHBondContact O-CG2 3.46Å; S242-V245 PolarHBondContact O-N 3.3Å; S242-N246 VanDerWaalsContact O-CB 3.31Å; S242-N246 WeakPolarHBondContact O-CB 3.41Å; S242-N246 PolarHBondContact O-N 2.92Å
243T88Confident88.4Confident7 Ų750 Ų504%0.04325%0.251CS..Hα-helixtrans-65.8-15.6177.662.70000113.5E165 Y239 W240 Q241 V245 N246 K250E165-T243 HydrophobicContact CG-CG2 3.57Å; Y239-T243 HydrophobicContact CD1-CG2 4.39Å; Y239-T243 HydrophobicContact CE1-CG2 3.93Å; Y239-T243 HydrophobicContact CE2-CG2 4.09Å; Y239-T243 VanDerWaalsContact O-CG2 3.25Å; Y239-T243 WeakPolarHBondContact O-CG2 3.28Å; Y239-T243 PolarHBondContact O-N 2.79Å; Y239-T243 VanDerWaalsContact O-N 3.11Å; Y239-T243 PolarHBondContact O-OG1 3.34Å; W240-T243 PolarHBondContact O-OG1 3.49Å; Q241-T243 VanDerWaalsContact C-N 3.32Å; Q241-T243 PolarHBondContact O-N 2.64Å; T243-V245 VanDerWaalsContact C-N 3.26Å; T243-V245 PolarHBondContact O-N 3.13Å; T243-N246 PolarHBondContact O-OD1 2.87Å; T243-K250 WeakPolarHBondContact O-CD 3.47Å; T243-K250 PolarHBondContact O-NZ 2.98Å
244Q83.3Confident87.2Confident50 Ų5051.3 Ų51.323%0.23426%0.258CS..THydrogen-bonded Turntrans-74.8-17.8172.7-54.6-46.9-6600112.9W240 Q241 S242 I254W240-Q244 HydrophobicContact CH2-CG 4.47Å; W240-Q244 HydrophobicContact CZ2-CG 4.34Å; W240-Q244 WeakPolarHBondContact O-CG 3.49Å; W240-Q244 PolarHBondContact O-NE2 3.07Å; Q241-Q244 WeakPolarHBondContact O-CB 3.24Å; Q241-Q244 PolarHBondContact O-N 2.86Å; Q241-Q244 VanDerWaalsContact O-N 3.15Å; S242-Q244 PolarHBondContact O-N 2.9Å; S242-Q244 VanDerWaalsContact O-N 3.12Å; Q244-I254 VanDerWaalsContact O-CD1 3.32Å; Q244-I254 WeakPolarHBondContact O-CD1 3.45Å
245V84.8Confident86.2Confident49 Ų4951 Ų5130%0.29726%0.257SS..THydrogen-bonded Turntrans-138.716-171-67.20000113.3S242 T243 S247 L251 I254S242-V245 CarbonylContact O-C 3.56Å; S242-V245 WeakPolarHBondContact O-CG2 3.46Å; S242-V245 PolarHBondContact O-N 3.3Å; T243-V245 VanDerWaalsContact C-N 3.26Å; T243-V245 PolarHBondContact O-N 3.13Å; V245-S247 VanDerWaalsContact C-N 3.3Å; V245-S247 PolarHBondContact O-N 2.97Å; V245-L251 HydrophobicContact CB-CD2 3.68Å; V245-L251 HydrophobicContact CB-CG 4.12Å; V245-L251 HydrophobicContact CG1-CD2 3.98Å; V245-L251 WeakPolarHBondContact O-CD1 3.05Å; V245-L251 VanDerWaalsContact O-CG 3.31Å; V245-L251 WeakPolarHBondContact O-CG 3.4Å; V245-I254 HydrophobicContact CG1-CD1 3.84Å
246N86.9Confident85.1Confident79 Ų7949.6 Ų49.642%0.42226%0.259SS..SBendtrans-837.6-174.366.2-15.1000115.2E165 S242 T243 K250E165-N246 PolarHBondContact OE1-ND2 3.16Å; S242-N246 VanDerWaalsContact O-CB 3.31Å; S242-N246 WeakPolarHBondContact O-CB 3.41Å; S242-N246 PolarHBondContact O-N 2.92Å; T243-N246 PolarHBondContact O-OD1 2.87Å; N246-K250 VanDerWaalsContact OD1-CD 3.26Å; N246-K250 WeakPolarHBondContact OD1-CD 2.98Å; N246-K250 WeakPolarHBondContact OD1-CE 3.07Å; N246-K250 PolarHBondContact OD1-NZ 2.63Å
247S86Confident84.1Confident20 Ų2054.7 Ų54.714%0.1428%0.283CS..SBendtrans-135.9155.1174.11030000110.5V245 E249 K250 L251V245-S247 VanDerWaalsContact C-N 3.3Å; V245-S247 PolarHBondContact O-N 2.97Å; S247-E249 WeakPolarHBondContact CB-OE2 3.45Å; S247-E249 PolarHBondContact O-N 3.08Å; S247-E249 PolarHBondContact OG-N 2.95Å; S247-E249 PolarHBondContact OG-OE2 3.08Å; S247-K250 PolarHBondContact O-N 3.01Å; S247-K250 PolarHBondContact OG-N 3.32Å; S247-L251 WeakPolarHBondContact O-CB 3.32Å; S247-L251 PolarHBondContact O-N 2.81Å
248H86.6Confident83.1Confident148 Ų14855.1 Ų55.169%0.68529%0.285SS*.Hα-helixtrans-58.7-39.9177.1-175.175.1000111.2L251 A252H248-L251 PolarHBondContact O-N 2.71Å; H248-A252 WeakPolarHBondContact O-CB 3.42Å; H248-A252 PolarHBondContact O-N 3.23Å
249E83.5Confident82.1Confident83 Ų8353.2 Ų53.239%0.38829%0.287SS..Hα-helixtrans-67-42.1178.4-59.570.7-156.400111.5Q160 S247 S253Q160-E249 HydrophobicContact CG-CB 3.98Å; Q160-E249 HydrophobicContact CG-CG 4.37Å; Q160-E249 PolarHBondContact OE1-OE2 2.76Å; S247-E249 WeakPolarHBondContact CB-OE2 3.45Å; S247-E249 PolarHBondContact O-N 3.08Å; S247-E249 PolarHBondContact OG-N 2.95Å; S247-E249 PolarHBondContact OG-OE2 3.08Å; E249-S253 VanDerWaalsContact O-CB 3.24Å; E249-S253 WeakPolarHBondContact O-CB 3.26Å; E249-S253 PolarHBondContact O-N 3.26Å; E249-S253 PolarHBondContact O-OG 3Å
250K81.4Confident81Confident3 Ų353.2 Ų53.21%0.01330%0.298CS..Hα-helixtrans-63.9-45.6176.2-69.6-174.5179.51730110.7K157 Q160 E165 T243 N246 S247 S253 I254K157-K250 HydrophobicContact CG-CG 4.16Å; Q160-K250 HydrophobicContact CB-CD 4.37Å; Q160-K250 HydrophobicContact CB-CG 4Å; Q160-K250 VanDerWaalsContact O-CE 3.28Å; Q160-K250 WeakPolarHBondContact O-CE 3.27Å; Q160-K250 PolarHBondContact O-NZ 3.32Å; E165-K250 IonicContact OE1-NZ 2.8Å; E165-K250 PolarHBondContact OE1-NZ 3.08Å; E165-K250 IonicContact OE2-NZ 2.77Å; E165-K250 PolarHBondContact OE2-NZ 3.27Å; E165-K250 VanDerWaalsContact OE2-NZ 3.13Å; T243-K250 WeakPolarHBondContact O-CD 3.47Å; T243-K250 PolarHBondContact O-NZ 2.98Å; N246-K250 VanDerWaalsContact OD1-CD 3.26Å; N246-K250 WeakPolarHBondContact OD1-CD 2.98Å; N246-K250 WeakPolarHBondContact OD1-CE 3.07Å; N246-K250 PolarHBondContact OD1-NZ 2.63Å; S247-K250 PolarHBondContact O-N 3.01Å; S247-K250 PolarHBondContact OG-N 3.32Å; K250-S253 PolarHBondContact O-N 3.04Å; K250-I254 WeakPolarHBondContact O-CG1 3.31Å; K250-I254 PolarHBondContact O-N 3.08Å
251L81.9Confident79.9Confident77 Ų7751.9 Ų51.940%0.40330%0.298SS..Hα-helixtrans-60.5-53.9175-80.5166.2000111.8V245 S247 H248 S253 I254 S255V245-L251 HydrophobicContact CB-CD2 3.68Å; V245-L251 HydrophobicContact CB-CG 4.12Å; V245-L251 HydrophobicContact CG1-CD2 3.98Å; V245-L251 WeakPolarHBondContact O-CD1 3.05Å; V245-L251 VanDerWaalsContact O-CG 3.31Å; V245-L251 WeakPolarHBondContact O-CG 3.4Å; S247-L251 WeakPolarHBondContact O-CB 3.32Å; S247-L251 PolarHBondContact O-N 2.81Å; H248-L251 PolarHBondContact O-N 2.71Å; L251-S253 PolarHBondContact O-N 2.83Å; L251-I254 PolarHBondContact O-N 2.94Å; L251-S255 PolarHBondContact O-N 3.37Å; L251-S255 PolarHBondContact O-OG 2.95Å; L251-S255 VanDerWaalsContact O-OG 3.07Å
252A80Confident79.1Confident45 Ų4550 Ų5037%0.37229%0.29SS..Hα-helixtrans-58.2-34.3179.400000112.1H248 I254 G256H248-A252 WeakPolarHBondContact O-CB 3.42Å; H248-A252 PolarHBondContact O-N 3.23Å; A252-I254 VanDerWaalsContact C-N 3.27Å; A252-I254 PolarHBondContact O-N 3.17Å; A252-G256 WeakPolarHBondContact O-CA 3.23Å; A252-G256 PolarHBondContact O-N 3.19Å
253S73.6Confident78.1Confident24 Ų2448.5 Ų48.517%0.16828%0.284CS..Hα-helixtrans-68.2-24.8176.4-62.30000113.7E249 K250 L251E249-S253 VanDerWaalsContact O-CB 3.24Å; E249-S253 WeakPolarHBondContact O-CB 3.26Å; E249-S253 PolarHBondContact O-N 3.26Å; E249-S253 PolarHBondContact O-OG 3Å; K250-S253 PolarHBondContact O-N 3.04Å; L251-S253 PolarHBondContact O-N 2.83Å
254I71.5Confident77.1Confident29 Ų2955.4 Ų55.415%0.14931%0.313CS..Hα-helixtrans-98.2-43.3-177.6-65.9166.7000111.2F144 Q244 V245 K250 L251 A252F144-I254 HydrophobicContact CB-CG2 4.4Å; F144-I254 HydrophobicContact CD1-CG2 3.44Å; F144-I254 VanDerWaalsContact CD1-CG2 3.44Å; F144-I254 HydrophobicContact CE1-CG2 4.11Å; F144-I254 HydrophobicContact CG-CG2 4.32Å; Q244-I254 VanDerWaalsContact O-CD1 3.32Å; Q244-I254 WeakPolarHBondContact O-CD1 3.45Å; V245-I254 HydrophobicContact CG1-CD1 3.84Å; K250-I254 WeakPolarHBondContact O-CG1 3.31Å; K250-I254 PolarHBondContact O-N 3.08Å; L251-I254 PolarHBondContact O-N 2.94Å; A252-I254 VanDerWaalsContact C-N 3.27Å; A252-I254 PolarHBondContact O-N 3.17Å
255S76.1Confident76Confident24 Ų2456.3 Ų56.317%0.16832%0.324CS..Hα-helixtrans-114.7-10.3-171.765.90000114.3L251 H257 F258 T259L251-S255 PolarHBondContact O-N 3.37Å; L251-S255 PolarHBondContact O-OG 2.95Å; L251-S255 VanDerWaalsContact O-OG 3.07Å; S255-H257 VanDerWaalsContact C-N 3.29Å; S255-H257 PolarHBondContact O-N 2.94Å; S255-F258 WeakPolarHBondContact O-CA 3.17Å; S255-F258 WeakPolarHBondContact O-CB 3.36Å; S255-F258 PolarHBondContact O-N 3.31Å; S255-T259 PolarHBondContact O-N 3.44Å; S255-T259 PolarHBondContact O-OG1 2.97Å
256G74.1Confident74.7Confident29 Ų2955.1 Ų55.130%0.29932%0.315SS..Hα-helixtrans-57.5-39.1-171.100000113.7A252 A260A252-G256 WeakPolarHBondContact O-CA 3.23Å; A252-G256 PolarHBondContact O-N 3.19Å; G256-A260 VanDerWaalsContact O-CB 3.27Å; G256-A260 WeakPolarHBondContact O-CB 3.42Å; G256-A260 PolarHBondContact O-N 2.95Å
257H73.6Confident73.1Confident109 Ų10958.7 Ų58.751%0.50533%0.327SS..Hα-helixtrans-62.3-47.4173.5-175-68.6000111.9E140 S255 A260 S261E140-H257 PolarHBondContact O-CE1 3.17Å; S255-H257 VanDerWaalsContact C-N 3.29Å; S255-H257 PolarHBondContact O-N 2.94Å; H257-A260 PolarHBondContact O-N 3.15Å; H257-S261 PolarHBondContact CE1-OG 3.43Å; H257-S261 PolarHBondContact O-N 3.27Å; H257-S261 PolarHBondContact O-OG 3.44Å
258F74.3Confident71.5Confident37 Ų3762 Ų6216%0.16235%0.346CS..Hα-helixtrans-62.6-48179.7172.2-103.9000111.5L25 V141 L143 S255 A260 S261 V262L25-F258 HydrophobicContact CD1-CZ 4.14Å; L25-F258 HydrophobicContact CD2-CE1 3.98Å; L25-F258 HydrophobicContact CD2-CZ 4.34Å; V141-F258 HydrophobicContact CG1-CD2 4.1Å; L143-F258 HydrophobicContact CD2-CD2 3.31Å; L143-F258 HydrophobicContact CD2-CE2 3.59Å; L143-F258 HydrophobicContact CD2-CG 4.02Å; L143-F258 HydrophobicContact CD2-CZ 4.49Å; S255-F258 WeakPolarHBondContact O-CA 3.17Å; S255-F258 WeakPolarHBondContact O-CB 3.36Å; S255-F258 PolarHBondContact O-N 3.31Å; F258-A260 VanDerWaalsContact C-N 3.29Å; F258-A260 PolarHBondContact O-N 3.47Å; F258-S261 PolarHBondContact O-N 2.95Å; F258-S261 VanDerWaalsContact O-N 3.17Å; F258-V262 HydrophobicContact CD1-CG2 4.47Å; F258-V262 HydrophobicContact CD2-CG2 4.36Å; F258-V262 HydrophobicContact CE1-CG2 4.02Å; F258-V262 HydrophobicContact CE2-CG2 3.9Å; F258-V262 HydrophobicContact CZ-CG2 3.71Å; F258-V262 WeakPolarHBondContact O-CG2 3.33Å; F258-V262 PolarHBondContact O-N 3.35Å
259T74Confident69.7Low77 Ų7760.4 Ų60.447%0.47233%0.334SS..Hα-helixtrans-60.5-39.5177.4-52.70000111.5S255 V262 G263S255-T259 PolarHBondContact O-N 3.44Å; S255-T259 PolarHBondContact O-OG1 2.97Å; T259-V262 PolarHBondContact O-N 3.28Å; T259-G263 PolarHBondContact O-N 3.32Å
260A71.4Confident67.9Low54 Ų5458.1 Ų58.145%0.44633%0.327SS..Hα-helixtrans-65.7-41.3175.400000112.6G256 H257 F258 G263 K264G256-A260 VanDerWaalsContact O-CB 3.27Å; G256-A260 WeakPolarHBondContact O-CB 3.42Å; G256-A260 PolarHBondContact O-N 2.95Å; H257-A260 PolarHBondContact O-N 3.15Å; F258-A260 VanDerWaalsContact C-N 3.29Å; F258-A260 PolarHBondContact O-N 3.47Å; A260-G263 PolarHBondContact O-N 2.77Å; A260-K264 WeakPolarHBondContact O-CG 3.36Å; A260-K264 PolarHBondContact O-N 3.01Å
261S68.7Low65.8Low33 Ų3366.9 Ų66.923%0.23136%0.36CS..Hα-helixtrans-62.7-45.1175.3-64.90000111.6H257 F258 K264 C265H257-S261 PolarHBondContact CE1-OG 3.43Å; H257-S261 PolarHBondContact O-N 3.27Å; H257-S261 PolarHBondContact O-OG 3.44Å; F258-S261 PolarHBondContact O-N 2.95Å; F258-S261 VanDerWaalsContact O-N 3.17Å; S261-K264 PolarHBondContact O-N 3.08Å; S261-C265 PolarHBondContact O-N 3.39Å; S261-C265 VanDerWaalsContact O-N 3.16Å; S261-C265 PolarHBondContact O-SG 3.06Å
262V70.9Confident63.7Low17 Ų1768 Ų6810%0.10337%0.366CS..Hα-helixtrans-58.7-49.1175.2164.90000111.3I23 F258 T259 K264 C265 E266 L304I23-V262 HydrophobicContact CD1-CB 4.34Å; I23-V262 HydrophobicContact CD1-CG1 3.5Å; I23-V262 VanDerWaalsContact CD1-CG1 3.5Å; I23-V262 HydrophobicContact CD1-CG2 4.35Å; F258-V262 HydrophobicContact CD1-CG2 4.47Å; F258-V262 HydrophobicContact CD2-CG2 4.36Å; F258-V262 HydrophobicContact CE1-CG2 4.02Å; F258-V262 HydrophobicContact CE2-CG2 3.9Å; F258-V262 HydrophobicContact CZ-CG2 3.71Å; F258-V262 WeakPolarHBondContact O-CG2 3.33Å; F258-V262 PolarHBondContact O-N 3.35Å; T259-V262 PolarHBondContact O-N 3.28Å; V262-K264 VanDerWaalsContact C-N 3.29Å; V262-K264 PolarHBondContact O-N 2.92Å; V262-C265 WeakPolarHBondContact O-CB 3.49Å; V262-C265 PolarHBondContact O-N 2.91Å; V262-C265 VanDerWaalsContact O-N 3.17Å; V262-E266 PolarHBondContact O-N 2.68Å; V262-L304 HydrophobicContact CG1-CD1 3.72Å
263G69.7Low61.9Low25 Ų2567.2 Ų67.226%0.25836%0.357SS..Hα-helixtrans-65.1-28179.500000114.2T259 A260 K267T259-G263 PolarHBondContact O-N 3.32Å; A260-G263 PolarHBondContact O-N 2.77Å; G263-K267 WeakPolarHBondContact O-CG 3.46Å; G263-K267 PolarHBondContact O-N 3.49Å
264K67.5Low60.2Low152 Ų15268.3 Ų68.366%0.66136%0.364SS*.Hα-helixtrans-69.3-43.5172.1-76.7177.3-178.3179.20111.7A260 S261 V262 E266 K267 V268A260-K264 WeakPolarHBondContact O-CG 3.36Å; A260-K264 PolarHBondContact O-N 3.01Å; S261-K264 PolarHBondContact O-N 3.08Å; V262-K264 VanDerWaalsContact C-N 3.29Å; V262-K264 PolarHBondContact O-N 2.92Å; K264-E266 VanDerWaalsContact C-N 3.28Å; K264-E266 PolarHBondContact O-N 3.18Å; K264-K267 PolarHBondContact O-N 3.18Å; K264-V268 WeakPolarHBondContact O-CG2 3.35Å; K264-V268 PolarHBondContact O-N 3.12Å
265C59.6Low58.7Low69 Ų6977.1 Ų77.147%0.46640%0.396SS..Hα-helixtrans-58.5-41.2177-710000111.9S261 V262 V268 R269S261-C265 PolarHBondContact O-N 3.39Å; S261-C265 VanDerWaalsContact O-N 3.16Å; S261-C265 PolarHBondContact O-SG 3.06Å; V262-C265 WeakPolarHBondContact O-CB 3.49Å; V262-C265 PolarHBondContact O-N 2.91Å; V262-C265 VanDerWaalsContact O-N 3.17Å; C265-V268 PolarHBondContact O-N 3.38Å; C265-R269 PolarHBondContact O-N 3.18Å; C265-R269 VanDerWaalsContact O-N 3.17Å
266E57.4Low57.2Low24 Ų2484 Ų8411%0.11243%0.425CS..Hα-helixtrans-63-47.4176.5-70.6-178.5165.500112.2F21 V262 K264 V268 R269 C270 L304F21-E266 HydrophobicContact CE1-CG 4.45Å; V262-E266 PolarHBondContact O-N 2.68Å; K264-E266 VanDerWaalsContact C-N 3.28Å; K264-E266 PolarHBondContact O-N 3.18Å; E266-V268 VanDerWaalsContact C-N 3.29Å; E266-V268 PolarHBondContact O-N 2.88Å; E266-R269 PolarHBondContact O-N 3.41Å; E266-C270 WeakPolarHBondContact O-CB 3.49Å; E266-C270 PolarHBondContact O-N 3.49Å; E266-C270 PolarHBondContact O-SG 3.28Å; E266-C270 VanDerWaalsContact O-SG 3.38Å; E266-L304 WeakPolarHBondContact OE1-CB 3.39Å
267K54Low55.7Low153 Ų15387.7 Ų87.767%0.66544%0.435SS*.Hα-helixtrans-60.4-37-179.7-75.5-178.4-177.5-179.60113G263 K264 R271G263-K267 WeakPolarHBondContact O-CG 3.46Å; G263-K267 PolarHBondContact O-N 3.49Å; K264-K267 PolarHBondContact O-N 3.18Å; K267-R271 WeakPolarHBondContact O-CG 3.4Å; K267-R271 PolarHBondContact O-N 3.5Å
268V51.3Low53.6Low89 Ų8994.2 Ų94.254%0.53946%0.455SS..Hα-helixtrans-70.7-47.9178.9176.10000110.7K264 C265 E266 R271 L272K264-V268 WeakPolarHBondContact O-CG2 3.35Å; K264-V268 PolarHBondContact O-N 3.12Å; C265-V268 PolarHBondContact O-N 3.38Å; E266-V268 VanDerWaalsContact C-N 3.29Å; E266-V268 PolarHBondContact O-N 2.88Å; V268-R271 PolarHBondContact O-N 2.93Å; V268-L272 HydrophobicContact CG1-CD1 4.31Å; V268-L272 WeakPolarHBondContact O-CG 3.36Å; V268-L272 PolarHBondContact O-N 3.28Å
269R49Very low51.9Low115 Ų11598.6 Ų98.643%0.43448%0.476SS..Hα-helixtrans-69.6-37.5-178.9-75.8-174.3176-161-3.2112.9C265 E266 R271 L272 S273C265-R269 PolarHBondContact O-N 3.18Å; C265-R269 VanDerWaalsContact O-N 3.17Å; E266-R269 PolarHBondContact O-N 3.41Å; R269-R271 VanDerWaalsContact C-N 3.32Å; R269-R271 PolarHBondContact O-N 3.32Å; R269-L272 PolarHBondContact O-N 3.17Å; R269-S273 PolarHBondContact O-N 3.29Å
270C46.4Very low49.9Very low35 Ų35104.5 Ų104.524%0.23650%0.498CS..Hα-helixtrans-61.7-38.6173.6-72.30000112.1E266 L272 S273 C274 F308E266-C270 WeakPolarHBondContact O-CB 3.49Å; E266-C270 PolarHBondContact O-N 3.49Å; E266-C270 PolarHBondContact O-SG 3.28Å; E266-C270 VanDerWaalsContact O-SG 3.38Å; C270-L272 PolarHBondContact O-N 3.39Å; C270-S273 PolarHBondContact O-N 3.27Å; C270-C274 WeakPolarHBondContact O-CB 3.39Å; C270-C274 PolarHBondContact O-N 3.21Å; C270-C274 PolarHBondContact O-SG 2.91Å; C270-F308 HydrophobicContact CB-CZ 4.15Å
271R36Very low48.3Very low188 Ų188106 Ų10671%0.70950%0.498SS*.Hα-helixtrans-65.4-36174.5-77.7-178.9-174.3-157.81.5113K267 V268 R269 R275K267-R271 WeakPolarHBondContact O-CG 3.4Å; K267-R271 PolarHBondContact O-N 3.5Å; V268-R271 PolarHBondContact O-N 2.93Å; R269-R271 VanDerWaalsContact C-N 3.32Å; R269-R271 PolarHBondContact O-N 3.32Å; R271-R275 WeakPolarHBondContact O-CB 3.35Å; R271-R275 WeakPolarHBondContact O-CG 3.41Å; R271-R275 PolarHBondContact O-N 3.31Å; R271-R275 VanDerWaalsContact O-N 3.12Å
272L38.7Very low46.5Very low101 Ų101107.2 Ų107.253%0.52952%0.515SS..Hα-helixtrans-69.7-43.4176.7-68169.9000111.1V268 R269 C270 R275 Q276V268-L272 HydrophobicContact CG1-CD1 4.31Å; V268-L272 WeakPolarHBondContact O-CG 3.36Å; V268-L272 PolarHBondContact O-N 3.28Å; R269-L272 PolarHBondContact O-N 3.17Å; C270-L272 PolarHBondContact O-N 3.39Å; L272-R275 PolarHBondContact O-N 3.16Å; L272-Q276 PolarHBondContact O-N 3.11Å; L272-Q276 VanDerWaalsContact O-N 3.11Å
273S42.4Very low44.9Very low27 Ų27110.9 Ų110.919%0.18955%0.547CS..Hα-helixtrans-64.7-44.3176.3-164.80000112.3R269 C270 R275 Q276 H277 F308R269-S273 PolarHBondContact O-N 3.29Å; C270-S273 PolarHBondContact O-N 3.27Å; S273-R275 VanDerWaalsContact C-N 3.26Å; S273-R275 PolarHBondContact O-N 3.03Å; S273-Q276 PolarHBondContact O-N 2.79Å; S273-H277 PolarHBondContact O-N 3.48Å; S273-F308 WeakPolarHBondContact OG-CE2 3.43Å
274C38.8Very low43.2Very low47 Ų47119.1 Ų119.132%0.31858%0.576SS.*Hα-helixtrans-66.1-24174.4-75.60000113.6C270 H277C270-C274 WeakPolarHBondContact O-CB 3.39Å; C270-C274 PolarHBondContact O-N 3.21Å; C270-C274 PolarHBondContact O-SG 2.91Å; C274-H277 CarbonylContact C-O 3.58Å; C274-H277 WeakPolarHBondContact CA-O 3.47Å; C274-H277 CarbonylContact O-C 3.39Å; C274-H277 VanDerWaalsContact O-C 3.25Å
275R39.1Very low41.4Very low215 Ų215118.3 Ų118.381%0.81158%0.579SS**Hα-helixtrans-75.5-36173-84.9-175.5179.5-166.40.2111.9R271 L272 S273R271-R275 WeakPolarHBondContact O-CB 3.35Å; R271-R275 WeakPolarHBondContact O-CG 3.41Å; R271-R275 PolarHBondContact O-N 3.31Å; R271-R275 VanDerWaalsContact O-N 3.12Å; L272-R275 PolarHBondContact O-N 3.16Å; S273-R275 VanDerWaalsContact C-N 3.26Å; S273-R275 PolarHBondContact O-N 3.03Å
276Q44.4Very low40.2Very low167 Ų167121.5 Ų121.578%0.7859%0.585SS**Hα-helixtrans-77.1-26.7174.4-73.6-180-24.400112.4L272 S273L272-Q276 PolarHBondContact O-N 3.11Å; L272-Q276 VanDerWaalsContact O-N 3.11Å; S273-Q276 PolarHBondContact O-N 2.79Å
277H42Very low38.7Very low108 Ų108126 Ų12650%0.561%0.614SS.*SBendtrans-128.999.8175.7-68.6-13.5000110.1S273 C274 Q279 F310S273-H277 PolarHBondContact O-N 3.48Å; C274-H277 CarbonylContact C-O 3.58Å; C274-H277 WeakPolarHBondContact CA-O 3.47Å; C274-H277 CarbonylContact O-C 3.39Å; C274-H277 VanDerWaalsContact O-C 3.25Å; H277-Q279 VanDerWaalsContact C-N 3.31Å; H277-Q279 PolarHBondContact O-N 3.22Å; H277-F310 AromaticContact CD2-CE1 3.58Å; H277-F310 AromaticContact NE2-CE1 3.58Å
278R30.6Very low37.5Very low246 Ų246124.7 Ų124.793%0.92862%0.621SS**  trans-64.383.7176.2-79.6-173-178.6-1751.6111.1
279Q37.5Very low36.5Very low128 Ų128127.9 Ų127.960%0.59863%0.634SS**  trans-145133.7156.4-69.5-167.45.900110.3H277H277-Q279 VanDerWaalsContact C-N 3.31Å; H277-Q279 PolarHBondContact O-N 3.22Å
280Q32.3Very low35.5Very low201 Ų201130.9 Ų130.994%0.93965%0.653SS**  trans-78.2131.1-179.1-70.5177.9-11.500110.4
281I37.7Very low34.7Very low87 Ų87135.9 Ų135.945%0.44667%0.673SS.*  trans-130.1124.8169.2-54.6175.7000109.6F308I281-F308 HydrophobicContact CD1-CD1 3.95Å; I281-F308 HydrophobicContact CD1-CE1 4.49Å
282G31.6Very low34.2Very low58 Ų58133.7 Ų133.760%0.59868%0.68SS**  trans-80.9156.6178.100000113.1K284G282-K284 PolarHBondContact O-N 3.11Å
283A36.2Very low33.8Very low94 Ų94135 Ų13578%0.77769%0.688SS**THydrogen-bonded Turntrans-71.728.7-167.300000117.1
284K34.4Very low33.1Very low198 Ų198143.7 Ų143.786%0.86172%0.722SS**THydrogen-bonded Turntrans-100.1-0.8-169.1-74.4-168.6175.6-177.80117G282G282-K284 PolarHBondContact O-N 3.11Å
285D30.4Very low32.7Very low135 Ų135148.9 Ų148.972%0.72275%0.747SS**  trans-100.523.1-168.7-67.4-25.4000116.5T287D285-T287 PolarHBondContact O-N 2.85Å
286F33.4Very low32.2Very low136 Ų136141.3 Ų141.360%0.59673%0.73SS**  trans-93.5104.7178.6-66.3-81.4000111.8
287T27.2Very low31.3Very low118 Ų118138.7 Ų138.772%0.72473%0.728SS**  trans-111.9122.6169.4330000110.2D285D285-T287 PolarHBondContact O-N 2.85Å
288P28.4Very low30.7Very low125 Ų125135.2 Ų135.281%0.81271%0.712SS**PPolyproline II helixtrans-71136.4168-10.926.5000110
289I29.7Very low30.4Very low157 Ų157128.7 Ų128.781%0.80570%0.695SS**PPolyproline II helixtrans-88.9123.9170-62.4173.3000107.9
290E27.9Very low29.9Very low178 Ų178129.1 Ų129.183%0.83269%0.693SS**PPolyproline II helixtrans-70.8135.8173-73.6-178.6151.400111.6T292E290-T292 PolarHBondContact O-N 3.34Å
291E30.8Very low29.6Very low140 Ų140121.5 Ų121.565%0.65467%0.668SS**PPolyproline II helixtrans-67.3124.4177.3-76.5174.7162.300111.9
292T25.6Very low29.1Very low141 Ų141122.6 Ų122.687%0.86567%0.674SS**  trans-117.273.9167.241.90000110E290E290-T292 PolarHBondContact O-N 3.34Å
293N28.3Very low28.9Very low129 Ų129123.1 Ų123.169%0.6966%0.661SS**  trans-160.7114.6151.3-145.1-26000112.3N295N293-N295 PolarHBondContact O-N 3.22Å
294K28.5Very low28.5Very low210 Ų210121.2 Ų121.291%0.91364%0.637SS**THydrogen-bonded Turntrans-84-0.9-174.6-78.3-176.7175.9179.10115
295N30.2Very low28.3Very low156 Ų156113.8 Ų113.883%0.83461%0.61SS**THydrogen-bonded Turntrans-128.718.8-172.9-74.4-15.9000115.3N293N293-N295 PolarHBondContact O-N 3.22Å
296A28.2Very low28.2Very low55 Ų55108 Ų10846%0.45558%0.58SS.*SBendtrans-105.9140.6174.500000110.8L298A296-L298 PolarHBondContact O-N 3.49Å
297P27.1Very low28Very low113 Ų113108.2 Ų108.273%0.73458%0.577SS**SBendtrans-64.8100176.526.6-31.2000109.2L299P297-L299 PolarHBondContact O-N 3.44Å
298L28Very low28.1Very low34 Ų34103.8 Ų103.818%0.17855%0.548CS..  trans11.180.7170.6-77.9172.5000115.3W238 A296 Y300W238-L298 HydrophobicContact CH2-CD1 3.47Å; W238-L298 VanDerWaalsContact CH2-CD1 3.47Å; W238-L298 HydrophobicContact CH2-CG 3.67Å; W238-L298 HydrophobicContact CZ3-CD1 3.29Å; W238-L298 HydrophobicContact CZ3-CD2 4.38Å; W238-L298 HydrophobicContact CZ3-CG 3.82Å; A296-L298 PolarHBondContact O-N 3.49Å; L298-Y300 HydrophobicContact CB-CD2 4.02Å; L298-Y300 HydrophobicContact CB-CE2 4.11Å; L298-Y300 HydrophobicContact CD1-CD2 4.05Å; L298-Y300 HydrophobicContact CD1-CE2 3.36Å; L298-Y300 HydrophobicContact CD2-CD1 4.48Å; L298-Y300 HydrophobicContact CD2-CD2 3.92Å; L298-Y300 HydrophobicContact CD2-CE1 3.99Å; L298-Y300 HydrophobicContact CD2-CE2 3.39Å; L298-Y300 HydrophobicContact CD2-CG 4.44Å; L298-Y300 VanDerWaalsContact CD2-CZ 3.4Å; L298-Y300 HydrophobicContact CG-CD2 4.23Å; L298-Y300 HydrophobicContact CG-CE2 3.8Å; L298-Y300 PolarHBondContact O-N 3.32Å; L298-Y300 VanDerWaalsContact O-N 3.08Å
299L25.8Very low28.1Very low109 Ų109105 Ų10557%0.57154%0.536SS*.  trans-72.882.7151.2-85.4161.8000106.8P297 G301P297-L299 PolarHBondContact O-N 3.44Å; L299-G301 PolarHBondContact O-N 3.17Å
300Y27Very low28.2Very low137 Ų137104.3 Ų104.354%0.53753%0.527SS..  trans-69.877.1162.4-79.6-65.8000108.3L298L298-Y300 HydrophobicContact CB-CD2 4.02Å; L298-Y300 HydrophobicContact CB-CE2 4.11Å; L298-Y300 HydrophobicContact CD1-CD2 4.05Å; L298-Y300 HydrophobicContact CD1-CE2 3.36Å; L298-Y300 HydrophobicContact CD2-CD1 4.48Å; L298-Y300 HydrophobicContact CD2-CD2 3.92Å; L298-Y300 HydrophobicContact CD2-CE1 3.99Å; L298-Y300 HydrophobicContact CD2-CE2 3.39Å; L298-Y300 HydrophobicContact CD2-CG 4.44Å; L298-Y300 VanDerWaalsContact CD2-CZ 3.4Å; L298-Y300 HydrophobicContact CG-CD2 4.23Å; L298-Y300 HydrophobicContact CG-CE2 3.8Å; L298-Y300 PolarHBondContact O-N 3.32Å; L298-Y300 VanDerWaalsContact O-N 3.08Å
301G25.9Very low28.2Very low41 Ų41100.6 Ų100.642%0.42351%0.512SS..  trans-103.893176.200000109.7L299 Q303L299-G301 PolarHBondContact O-N 3.17Å; G301-Q303 PolarHBondContact O-N 2.81Å
302I26.4Very low28.1Very low111 Ų11198.5 Ų98.557%0.56951%0.505SS*.  trans-70.6104159.7-62.1175.6000106.1L304I302-L304 HydrophobicContact CG2-CD1 4.34Å; I302-L304 HydrophobicContact CG2-CG 4.09Å
303Q28.1Very low28.2Very low69 Ų6996.2 Ų96.232%0.32249%0.485SS..  trans-88.9106.2168.5-177.3178.9-59.700108.5Y73 G301Y73-Q303 PolarHBondContact OH-OE1 2.88Å; Y73-Q303 VanDerWaalsContact OH-OE1 3.12Å; G301-Q303 PolarHBondContact O-N 2.81Å
304L27.2Very low28.2Very low54 Ų5494.2 Ų94.228%0.28347%0.473SS..EExtended strand (participates in β ladder)trans-93.4110.6161.1-72.5161.2000107.3V262 E266 I302V262-L304 HydrophobicContact CG1-CD1 3.72Å; E266-L304 WeakPolarHBondContact OE1-CB 3.39Å; I302-L304 HydrophobicContact CG2-CD1 4.34Å; I302-L304 HydrophobicContact CG2-CG 4.09Å
305S29.1Very low28.2Very low41 Ų4187 Ų8729%0.28745%0.445SS..EExtended strand (participates in β ladder)trans-111.6107.1167.961.30000108R307S305-R307 PolarHBondContact O-N 3.12Å
306C29.9Very low28.1Very low15 Ų1582.4 Ų82.410%0.10142%0.419CS..EExtended strand (participates in β ladder)trans-72.1123.4164.7-72.50000108F20F20-C306 HydrophobicContact CD1-CB 4.44Å; F20-C306 WeakPolarHBondContact CD1-O 3.4Å; F20-C306 HydrophobicContact CE1-CB 3.26Å; F20-C306 WeakPolarHBondContact CE1-O 3.48Å; F20-C306 HydrophobicContact CE2-CB 4.42Å; F20-C306 HydrophobicContact CZ-CB 3.24Å
307R28.6Very low28.1Very low139 Ų13984.4 Ų84.453%0.52542%0.417SS..EExtended strand (participates in β ladder)trans-106.3122.4172.8-66.9-173.1-176.4-145.44.5107.4L17 S305L17-R307 HydrophobicContact CB-CB 4.15Å; L17-R307 HydrophobicContact CB-CG 4.42Å; L17-R307 HydrophobicContact CD1-CB 4.21Å; L17-R307 HydrophobicContact CD2-CB 4.14Å; L17-R307 HydrophobicContact CG-CB 4.39Å; S305-R307 PolarHBondContact O-N 3.12Å
308F29.2Very low28.2Very low26 Ų2682.2 Ų82.211%0.11439%0.392CS..EExtended strand (participates in β ladder)trans-93.4141.4169.1-79.1-56.8000109.7L17 F20 C270 S273 I281 F310L17-F308 WeakPolarHBondContact CD2-O 3.09Å; F20-F308 HydrophobicContact CB-CD2 4.5Å; F20-F308 HydrophobicContact CD1-CB 4.37Å; F20-F308 AromaticContact CD1-CD2 3.05Å; F20-F308 HydrophobicContact CD1-CD2 3.05Å; F20-F308 AromaticContact CD1-CE2 3.49Å; F20-F308 HydrophobicContact CD1-CE2 3.49Å; F20-F308 VanDerWaalsContact CD1-CE2 3.49Å; F20-F308 AromaticContact CD1-CG 3.95Å; F20-F308 HydrophobicContact CD1-CG 3.95Å; F20-F308 HydrophobicContact CD2-CD2 4.08Å; F20-F308 AromaticContact CD2-CE2 3.78Å; F20-F308 HydrophobicContact CD2-CE2 3.78Å; F20-F308 AromaticContact CE1-CD2 2.99Å; F20-F308 HydrophobicContact CE1-CD2 2.99Å; F20-F308 AromaticContact CE1-CE2 3.04Å; F20-F308 HydrophobicContact CE1-CE2 3.04Å; F20-F308 AromaticContact CE1-CG 3.77Å; F20-F308 HydrophobicContact CE1-CG 3.77Å; F20-F308 AromaticContact CE1-CZ 3.87Å; F20-F308 HydrophobicContact CE1-CZ 3.87Å; F20-F308 HydrophobicContact CE2-CD2 4.06Å; F20-F308 AromaticContact CE2-CE2 3.4Å; F20-F308 HydrophobicContact CE2-CE2 3.4Å; F20-F308 HydrophobicContact CE2-CZ 4.25Å; F20-F308 AromaticContact CG-CD2 3.61Å; F20-F308 HydrophobicContact CG-CD2 3.61Å; F20-F308 AromaticContact CG-CE2 3.82Å; F20-F308 HydrophobicContact CG-CE2 3.82Å; F20-F308 AromaticContact CZ-CD2 3.54Å; F20-F308 HydrophobicContact CZ-CD2 3.54Å; F20-F308 AromaticContact CZ-CE2 3Å; F20-F308 HydrophobicContact CZ-CE2 3Å; F20-F308 AromaticContact CZ-CZ 3.65Å; F20-F308 HydrophobicContact CZ-CZ 3.65Å; C270-F308 HydrophobicContact CB-CZ 4.15Å; S273-F308 WeakPolarHBondContact OG-CE2 3.43Å; I281-F308 HydrophobicContact CD1-CD1 3.95Å; I281-F308 HydrophobicContact CD1-CE1 4.49Å; F308-F310 HydrophobicContact CB-CE2 4.49Å
309R28.6Very low28.2Very low149 Ų14986.2 Ų86.256%0.56241%0.41SS*.EExtended strand (participates in β ladder)trans-77.2127.9159.2-106.6-179.2-179.6178.73.3107.5L17L17-R309 HydrophobicContact CD2-CG 4.02Å
310F32.3Very low28.4Very low143 Ų14384.1 Ų84.163%0.62740%0.395SS*.  trans-910160.2-70.3-92.5000109.1K18 H277 F308K18-F310 HydrophobicContact CB-CD2 4.26Å; K18-F310 HydrophobicContact CB-CE2 3.74Å; H277-F310 AromaticContact CD2-CE1 3.58Å; H277-F310 AromaticContact NE2-CE1 3.58Å; F308-F310 HydrophobicContact CB-CE2 4.49Å

Retrieved 310 of 310 residues in 218.2 ms (Link to these results)

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