A0A077YYK5_TRITR Loading...

cAMP-dependent protein kinase catalytic subunit

AlphaFold DB , UniProt , Accession A0A077YYK5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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
1M31.2Very low60.8Low227 Ų227113.3 Ų113.3100%1.11856%0.561SS**  092.20-171.9178.5-117.300106.5V3M1-V3 PolarHBondContact O-N 3.36Å
2F32.1Very low63.7Low184 Ų184114.3 Ų114.381%0.80757%0.57SS**  trans-80106.9172.6-82.3-86.4000107.2Y4F2-Y4 HydrophobicContact CB-CD2 3.77Å; F2-Y4 HydrophobicContact CB-CE2 3.79Å; F2-Y4 HydrophobicContact CD1-CE2 4.34Å; F2-Y4 HydrophobicContact CG-CE2 4.22Å; F2-Y4 PolarHBondContact O-N 3.21Å
3V30Very low66.3Low132 Ų132110.2 Ų110.280%0.855%0.552SS**  trans-77.696.7168.8-1770000105.7M1M1-V3 PolarHBondContact O-N 3.36Å
4Y43.6Very low68.6Low154 Ų154103 Ų10360%0.60452%0.515SS*.  trans-80.7127177.7-97.8-86.6000110.3F2 T8F2-Y4 HydrophobicContact CB-CD2 3.77Å; F2-Y4 HydrophobicContact CB-CE2 3.79Å; F2-Y4 HydrophobicContact CD1-CE2 4.34Å; F2-Y4 HydrophobicContact CG-CE2 4.22Å; F2-Y4 PolarHBondContact O-N 3.21Å; Y4-T8 HydrophobicContact CD1-CG2 3.68Å; Y4-T8 HydrophobicContact CE1-CG2 4.09Å
5Q44Very low70.5Confident167 Ų167101 Ų10178%0.7850%0.503SS*.  trans-65145.2170.4-81.5172.8-39.900110.4E7Q5-E7 PolarHBondContact O-N 2.98Å; Q5-E7 VanDerWaalsContact O-N 3.09Å
6Q57.1Low72.1Confident124 Ų124101.4 Ų101.458%0.57950%0.497SS*.SBendtrans-61.4-17.7-170.9-103.7175.4-31.300114.9
7E66Low73.6Confident115 Ų11599.5 Ų99.554%0.53749%0.489SS..  trans-139.5110.5178.6-67.8177169.600108.5Q5Q5-E7 PolarHBondContact O-N 2.98Å; Q5-E7 VanDerWaalsContact O-N 3.09Å
8T81.4Confident74.9Confident45 Ų4595.9 Ų95.928%0.27647%0.471SS..  trans-101-6.3-171.755.50000113.6Y4 F79 A80Y4-T8 HydrophobicContact CD1-CG2 3.68Å; Y4-T8 HydrophobicContact CE1-CG2 4.09Å; T8-F79 VanDerWaalsContact OG1-CA 3.23Å; T8-F79 WeakPolarHBondContact OG1-CA 3.45Å; T8-F79 WeakPolarHBondContact OG1-CB 3.46Å; T8-A80 PolarHBondContact N-O 3.08Å; T8-A80 PolarHBondContact OG1-N 2.82Å
9A92.7Very high76Confident22 Ų2290.9 Ų90.918%0.18245%0.446CS..  trans-164.8175.9-179.100000110.2F14 F79 F81A9-F14 HydrophobicContact CB-CE2 3.82Å; A9-F14 HydrophobicContact CB-CZ 4.11Å; A9-F79 HydrophobicContact CB-CB 4.03Å; A9-F79 HydrophobicContact CB-CD1 3.93Å; A9-F79 HydrophobicContact CB-CG 4.05Å; A9-F81 HydrophobicContact CB-CD1 3.96Å; A9-F81 HydrophobicContact CB-CE1 4.08Å; A9-F81 WeakPolarHBondContact O-CB 3.19Å; A9-F81 WeakPolarHBondContact O-CD1 3.47Å; A9-F81 VanDerWaalsContact O-CG 3.24Å; A9-F81 WeakPolarHBondContact O-CG 3.5Å
10S94.6Very high77Confident50 Ų5086.8 Ų86.835%0.3543%0.426SS..  trans-127.3166.2171.772.20000110.9D12 D13 F14S10-D12 PolarHBondContact O-N 3.09Å; S10-D13 WeakPolarHBondContact CA-OD2 3.24Å; S10-D13 PolarHBondContact N-OD2 3.25Å; S10-D13 WeakPolarHBondContact O-CB 3.17Å; S10-D13 PolarHBondContact O-N 3.44Å; S10-D13 PolarHBondContact OG-OD2 2.61Å; S10-F14 VanDerWaalsContact O-CD2 3.22Å; S10-F14 WeakPolarHBondContact O-CD2 3.01Å; S10-F14 WeakPolarHBondContact O-CE2 3.37Å
11L95.8Very high77.7Confident26 Ų2683.4 Ų83.414%0.13641%0.413CS..G310 helixtrans-61.8-34.7178.1-175.165.7000112.1D13 F14 M42 F81 Y88 L306 I308L11-D13 PolarHBondContact O-N 2.76Å; L11-F14 PolarHBondContact O-N 3.38Å; L11-F14 VanDerWaalsContact O-N 3.14Å; L11-M42 HydrophobicContact CD1-CE 4.24Å; L11-M42 HydrophobicContact CD1-SD 3.79Å; L11-F81 HydrophobicContact CB-CE2 4.02Å; L11-F81 HydrophobicContact CB-CZ 4.49Å; L11-F81 VanDerWaalsContact N-CE2 3.28Å; L11-Y88 HydrophobicContact CD1-CD1 4.2Å; L11-Y88 HydrophobicContact CD1-CE1 3.66Å; L11-Y88 HydrophobicContact CD2-CE1 4.49Å; L11-L306 HydrophobicContact CD1-CD2 4.33Å; L11-L306 HydrophobicContact CD2-CD2 3.64Å; L11-I308 HydrophobicContact CD2-CD1 3.71Å
12D96.4Very high80.6Confident126 Ų12676.6 Ų76.667%0.67438%0.384SS*.G310 helixtrans-69.4-14.3-176.8-71.9-28.7000113.4S10 F14 K34S10-D12 PolarHBondContact O-N 3.09Å; D12-F14 PolarHBondContact O-N 3.12Å; D12-K34 WeakPolarHBondContact O-CD 3.39Å; D12-K34 VanDerWaalsContact O-CE 3.25Å; D12-K34 WeakPolarHBondContact O-CE 3.47Å; D12-K34 PolarHBondContact O-NZ 3.33Å
13D97.2Very high83Confident61 Ų6170.3 Ų70.333%0.32637%0.372SS..G310 helixtrans-72.9-11.4174.2-59.9-48000112.6S10 L11 H33 K34S10-D13 WeakPolarHBondContact CA-OD2 3.24Å; S10-D13 PolarHBondContact N-OD2 3.25Å; S10-D13 WeakPolarHBondContact O-CB 3.17Å; S10-D13 PolarHBondContact O-N 3.44Å; S10-D13 PolarHBondContact OG-OD2 2.61Å; L11-D13 PolarHBondContact O-N 2.76Å; D13-H33 PolarHBondContact O-CD2 3.45Å; D13-K34 WeakPolarHBondContact O-CG 3.38Å; D13-K34 PolarHBondContact O-N 2.8Å
14F98.1Very high85.5Confident9 Ų968.9 Ų68.94%0.03937%0.368CS..EExtended strand (participates in β ladder)trans-120.8141.3-173-56.5-87.4000112.5A9 S10 L11 D12 V31 R32 H33 Y40 M42 F79 F81 V90A9-F14 HydrophobicContact CB-CE2 3.82Å; A9-F14 HydrophobicContact CB-CZ 4.11Å; S10-F14 VanDerWaalsContact O-CD2 3.22Å; S10-F14 WeakPolarHBondContact O-CD2 3.01Å; S10-F14 WeakPolarHBondContact O-CE2 3.37Å; L11-F14 PolarHBondContact O-N 3.38Å; L11-F14 VanDerWaalsContact O-N 3.14Å; D12-F14 PolarHBondContact O-N 3.12Å; F14-V31 HydrophobicContact CB-CB 4.13Å; F14-V31 HydrophobicContact CB-CG2 4.3Å; F14-V31 HydrophobicContact CD1-CB 4.44Å; F14-V31 HydrophobicContact CD1-CG2 3.77Å; F14-V31 HydrophobicContact CG-CG2 4.27Å; F14-R32 WeakPolarHBondContact CA-O 3.5Å; F14-H33 HydrophobicContact CD1-CB 4Å; F14-H33 HydrophobicContact CE1-CB 3.92Å; F14-H33 AromaticContact CE1-CD2 3.78Å; F14-Y40 HydrophobicContact CD1-CD2 4.46Å; F14-Y40 AromaticContact CE1-CD2 3.95Å; F14-Y40 HydrophobicContact CE1-CD2 3.95Å; F14-Y40 HydrophobicContact CE1-CE2 4.35Å; F14-M42 HydrophobicContact CB-CE 3.76Å; F14-M42 HydrophobicContact CD1-CE 4.13Å; F14-M42 HydrophobicContact CD2-CE 3.49Å; F14-M42 VanDerWaalsContact CD2-CE 3.49Å; F14-M42 HydrophobicContact CE2-CE 4.09Å; F14-M42 HydrophobicContact CG-CE 3.51Å; F14-F79 HydrophobicContact CE1-CD2 4.36Å; F14-F79 HydrophobicContact CE1-CE2 4.43Å; F14-F79 AromaticContact CZ-CD2 3.87Å; F14-F79 HydrophobicContact CZ-CD2 3.87Å; F14-F79 HydrophobicContact CZ-CE2 4.22Å; F14-F79 HydrophobicContact CZ-CG 4.34Å; F14-F81 HydrophobicContact CD2-CE1 4.49Å; F14-F81 HydrophobicContact CD2-CZ 4.37Å; F14-F81 AromaticContact CE2-CE1 3.87Å; F14-F81 HydrophobicContact CE2-CE1 3.87Å; F14-F81 HydrophobicContact CE2-CZ 4.19Å; F14-V90 HydrophobicContact CE1-CG1 3.99Å; F14-V90 HydrophobicContact CE2-CG2 4.32Å; F14-V90 HydrophobicContact CZ-CG1 4.18Å; F14-V90 HydrophobicContact CZ-CG2 4.09Å
15E97.7Very high87.7Confident73 Ų7363.5 Ų63.534%0.34135%0.347SS..EExtended strand (participates in β ladder)trans-94.4127.1164.6-179.8-173.1-164.300108.9L17 V31 R32E15-L17 HydrophobicContact CG-CD2 3.93Å; E15-V31 CarbonylContact O-C 3.48Å; E15-V31 WeakPolarHBondContact O-CA 3.12Å; E15-V31 WeakPolarHBondContact O-CB 3.46Å; E15-R32 HydrophobicContact CB-CB 4.48Å; E15-R32 PolarHBondContact N-O 3.2Å; E15-R32 PolarHBondContact O-N 3.37Å; E15-R32 IonicContact OE1-NH2 2.89Å; E15-R32 IonicContact OE2-CZ 2.8Å; E15-R32 IonicContact OE2-NE 3.63Å; E15-R32 PolarHBondContact OE2-NE 3.31Å; E15-R32 IonicContact OE2-NH2 2.78Å; E15-R32 PolarHBondContact OE2-NH2 3.37Å
16R96.7Very high89.8Confident108 Ų10856.5 Ų56.541%0.40832%0.32SS..EExtended strand (participates in β ladder)trans-87.6129.5178.5-64.3177.8-70.7147.6-2.6109.8M29 V31R16-M29 HydrophobicContact CB-CE 4.01Å; R16-M29 HydrophobicContact CB-SD 4.46Å; R16-M29 HydrophobicContact CG-SD 4.38Å; R16-V31 HydrophobicContact CG-CG1 4.11Å
17L96.6Very high91.7Very high68 Ų6851.9 Ų51.936%0.35630%0.298SS..EExtended strand (participates in β ladder)trans-112.9-57.2-170.3-60.7177.6000113.3E15 L30 R32 Y39E15-L17 HydrophobicContact CG-CD2 3.93Å; L17-L30 HydrophobicContact CB-CB 4.46Å; L17-L30 HydrophobicContact CB-CD2 4.32Å; L17-L30 HydrophobicContact CB-CG 4.24Å; L17-L30 WeakPolarHBondContact CB-O 3.18Å; L17-L30 HydrophobicContact CD1-CD2 4.18Å; L17-L30 HydrophobicContact CD1-CG 4.11Å; L17-L30 PolarHBondContact N-O 2.84Å; L17-R32 HydrophobicContact CD1-CB 3.96Å; L17-Y39 HydrophobicContact CD1-CD1 3.87Å; L17-Y39 HydrophobicContact CD1-CE1 3.52Å
18K96.7Very high93.1Very high36 Ų3648.3 Ų48.316%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-151.2142.2-175.7175.1175.1171.3-177.90110.7L20 M29 L30 A295 F298 D299 D300 E303K18-L20 PolarHBondContact O-N 3.32Å; K18-M29 CarbonylContact O-C 3.59Å; K18-M29 WeakPolarHBondContact O-CA 3.08Å; K18-L30 PolarHBondContact O-N 2.81Å; K18-A295 HydrophobicContact CD-CB 4.04Å; K18-F298 PolarHBondContact NZ-O 2.94Å; K18-D299 WeakPolarHBondContact CE-O 3Å; K18-D299 PolarHBondContact NZ-O 2.79Å; K18-D300 WeakPolarHBondContact CE-OD1 3.46Å; K18-D300 IonicContact NZ-OD1 3.38Å; K18-D300 PolarHBondContact NZ-OD1 2.65Å; K18-E303 VanDerWaalsContact CA-OE1 3.31Å; K18-E303 WeakPolarHBondContact CA-OE1 2.99Å
19T96.6Very high93.9Very high0 Ų046.4 Ų46.40%027%0.272CS..EExtended strand (participates in β ladder)trans-71.4121.4166.3-65.50000109.9T22 R27 Y301 E303T19-T22 HydrophobicContact CG2-CG2 3.86Å; T19-R27 PolarHBondContact OG1-NE 3.2Å; T19-R27 PolarHBondContact OG1-NH2 3.04Å; T19-R27 VanDerWaalsContact OG1-NH2 3.08Å; T19-Y301 HydrophobicContact CG2-CD2 4.28Å; T19-Y301 HydrophobicContact CG2-CG 4.09Å; T19-E303 PolarHBondContact N-OE1 3.09Å; T19-E303 PolarHBondContact N-OE2 2.84Å; T19-E303 PolarHBondContact OG1-OE2 2.79Å
20L94.8Very high94.1Very high9 Ų945.7 Ų45.75%0.04727%0.265CS..EExtended strand (participates in β ladder)trans-90.3-23.1178.4-63.4175.4000112.8K18 V28 L30 A41 F93 A295 F298 Y301K18-L20 PolarHBondContact O-N 3.32Å; L20-V28 HydrophobicContact CB-CG1 4.32Å; L20-V28 HydrophobicContact CD1-CG1 4.27Å; L20-V28 PolarHBondContact N-O 2.8Å; L20-L30 HydrophobicContact CD1-CB 4.02Å; L20-L30 HydrophobicContact CD2-CB 4.02Å; L20-L30 HydrophobicContact CG-CB 3.97Å; L20-A41 HydrophobicContact CD1-CB 4.14Å; L20-F93 HydrophobicContact CD1-CD2 3.78Å; L20-F93 HydrophobicContact CD1-CE2 3.58Å; L20-F93 HydrophobicContact CD2-CE2 3.98Å; L20-F93 HydrophobicContact CD2-CZ 4.49Å; L20-F93 HydrophobicContact CG-CE2 4.45Å; L20-A295 HydrophobicContact CD2-CB 3.84Å; L20-F298 HydrophobicContact CB-CD1 4.12Å; L20-F298 HydrophobicContact CB-CE1 4.45Å; L20-F298 HydrophobicContact CD2-CB 4.14Å; L20-F298 HydrophobicContact CD2-CD1 4.14Å; L20-F298 HydrophobicContact CD2-CD2 3.88Å; L20-F298 HydrophobicContact CD2-CE2 4.31Å; L20-F298 HydrophobicContact CD2-CG 3.79Å; L20-Y301 WeakPolarHBondContact O-CE2 3.4Å
21G92.5Very high94.3Very high15 Ų1543.3 Ų43.316%0.15525%0.248CC..EExtended strand (participates in β ladder)trans-176.2155.7-178.800000111.9R27 V28G21-R27 WeakPolarHBondContact O-CA 3.35Å; G21-V28 PolarHBondContact N-O 3.15Å; G21-V28 PolarHBondContact O-N 3.16Å
22T91.7Very high94.4Very high84 Ų8445.2 Ų45.252%0.51525%0.254SS..EExtended strand (participates in β ladder)trans-124.2145.5177.459.20000110.3T19 R27 Y301T19-T22 HydrophobicContact CG2-CG2 3.86Å; T22-R27 HydrophobicContact CG2-CB 4.34Å; T22-Y301 HydrophobicContact CG2-CD1 3.94Å; T22-Y301 HydrophobicContact CG2-CG 4.35Å
23G84.1Confident94.5Very high53 Ų5340.4 Ų40.455%0.54623%0.227SC..EExtended strand (participates in β ladder)trans-134.1-179178.200000111.6F25 G26G23-F25 PolarHBondContact O-N 3.21Å; G23-F25 VanDerWaalsContact O-N 3.15Å; G23-G26 PolarHBondContact N-O 3.47Å
24S81.2Confident94.5Very high102 Ų10242.9 Ų42.971%0.71324%0.235SC*.THydrogen-bonded Turntrans-63.5-26.7-170.1-34.30000114.4
25F89.2Confident94.4Very high40 Ų4050.7 Ų50.718%0.17527%0.271CS..THydrogen-bonded Turntrans-135.211.9-176.647.7-92.2000113.4G23 L45 D46 K49 V50 L53 Q55G23-F25 PolarHBondContact O-N 3.21Å; G23-F25 VanDerWaalsContact O-N 3.15Å; F25-L45 HydrophobicContact CD2-CD2 3.78Å; F25-L45 HydrophobicContact CE2-CD1 4.32Å; F25-L45 HydrophobicContact CE2-CD2 3.76Å; F25-D46 PolarHBondContact O-N 3.41Å; F25-K49 HydrophobicContact CB-CB 3.85Å; F25-V50 HydrophobicContact CB-CG2 4.27Å; F25-V50 HydrophobicContact CD2-CG2 3.65Å; F25-V50 HydrophobicContact CE2-CG2 4.35Å; F25-V50 HydrophobicContact CG-CG2 4.18Å; F25-L53 HydrophobicContact CB-CD1 4.11Å; F25-L53 HydrophobicContact CD1-CD1 4.02Å; F25-Q55 HydrophobicContact CD1-CG 4.24Å; F25-Q55 HydrophobicContact CE1-CB 4.5Å; F25-Q55 HydrophobicContact CE1-CG 3.92Å; F25-Q55 HydrophobicContact CZ-CG 4.42Å
26G89.9Confident94.4Very high21 Ų2150.2 Ų50.222%0.21628%0.276CS..EExtended strand (participates in β ladder)trans-172.2-176-17600000113.4G23 I44G23-G26 PolarHBondContact N-O 3.47Å; G26-I44 CarbonylContact C-O 3.43Å; G26-I44 WeakPolarHBondContact CA-O 3.43Å
27R95.1Very high94.4Very high26 Ų2649.4 Ų49.410%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-143.3158.4177.774.3-168.2-42.7154.912.2110.5T19 G21 T22 M29 K43 I44 D302 E304T19-R27 PolarHBondContact OG1-NE 3.2Å; T19-R27 PolarHBondContact OG1-NH2 3.04Å; T19-R27 VanDerWaalsContact OG1-NH2 3.08Å; G21-R27 WeakPolarHBondContact O-CA 3.35Å; T22-R27 HydrophobicContact CG2-CB 4.34Å; R27-M29 HydrophobicContact CG-CG 4.04Å; R27-K43 WeakPolarHBondContact O-CA 3.41Å; R27-I44 HydrophobicContact CG-CB 4.36Å; R27-I44 PolarHBondContact N-O 3.23Å; R27-I44 PolarHBondContact O-N 3.04Å; R27-D302 PolarHBondContact NH2-O 2.73Å; R27-E304 IonicContact NH1-OE2 2.85Å; R27-E304 PolarHBondContact NH1-OE2 3.46Å
28V96.4Very high94.4Very high40 Ų4051 Ų5124%0.24228%0.282CS..EExtended strand (participates in β ladder)trans-109.4126.5171.4-175.90000107.6L20 G21 A41 M42 K43L20-V28 HydrophobicContact CB-CG1 4.32Å; L20-V28 HydrophobicContact CD1-CG1 4.27Å; L20-V28 PolarHBondContact N-O 2.8Å; G21-V28 PolarHBondContact N-O 3.15Å; G21-V28 PolarHBondContact O-N 3.16Å; V28-A41 HydrophobicContact CG1-CB 3.92Å; V28-M42 CarbonylContact C-O 3.57Å; V28-M42 WeakPolarHBondContact CA-O 2.89Å; V28-K43 HydrophobicContact CG2-CB 4.28Å; V28-K43 HydrophobicContact CG2-CG 4.12Å
29M97.4Very high94.5Very high6 Ų652 Ų523%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-116.9138.8177.2-61.2-169.279.100110.8R16 K18 R27 V31 A41 M42 I44R16-M29 HydrophobicContact CB-CE 4.01Å; R16-M29 HydrophobicContact CB-SD 4.46Å; R16-M29 HydrophobicContact CG-SD 4.38Å; K18-M29 CarbonylContact O-C 3.59Å; K18-M29 WeakPolarHBondContact O-CA 3.08Å; R27-M29 HydrophobicContact CG-CG 4.04Å; M29-V31 HydrophobicContact CB-CG1 4.21Å; M29-V31 PolarHBondContact O-N 3.46Å; M29-A41 CarbonylContact O-C 3.39Å; M29-A41 WeakPolarHBondContact O-CA 3.33Å; M29-M42 PolarHBondContact N-O 3.37Å; M29-M42 PolarHBondContact O-N 2.77Å; M29-I44 HydrophobicContact CG-CD1 4.04Å; M29-I44 HydrophobicContact SD-CD1 3.72Å
30L98Very high94.6Very high6 Ų652.4 Ų52.43%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-66.3125.7159.817962.6000108.3L17 K18 L20 Y39 Y40 F93 G293 A295L17-L30 HydrophobicContact CB-CB 4.46Å; L17-L30 HydrophobicContact CB-CD2 4.32Å; L17-L30 HydrophobicContact CB-CG 4.24Å; L17-L30 WeakPolarHBondContact CB-O 3.18Å; L17-L30 HydrophobicContact CD1-CD2 4.18Å; L17-L30 HydrophobicContact CD1-CG 4.11Å; L17-L30 PolarHBondContact N-O 2.84Å; K18-L30 PolarHBondContact O-N 2.81Å; L20-L30 HydrophobicContact CD1-CB 4.02Å; L20-L30 HydrophobicContact CD2-CB 4.02Å; L20-L30 HydrophobicContact CG-CB 3.97Å; L30-Y39 HydrophobicContact CD1-CD1 3.97Å; L30-Y39 HydrophobicContact CD1-CG 4.45Å; L30-Y39 HydrophobicContact CD2-CD1 4.49Å; L30-Y39 HydrophobicContact CG-CD1 4.36Å; L30-Y40 WeakPolarHBondContact CA-O 3.47Å; L30-F93 HydrophobicContact CD1-CB 4.36Å; L30-F93 HydrophobicContact CD1-CD1 3.6Å; L30-F93 HydrophobicContact CD1-CD2 3.88Å; L30-F93 HydrophobicContact CD1-CE1 3.74Å; L30-F93 HydrophobicContact CD1-CE2 4.03Å; L30-F93 HydrophobicContact CD1-CG 3.67Å; L30-F93 HydrophobicContact CD1-CZ 3.96Å; L30-F93 HydrophobicContact CD2-CZ 4.49Å; L30-G293 WeakPolarHBondContact CD2-O 3.31Å; L30-A295 HydrophobicContact CD2-CB 4.14Å
31V98.3Very high94.7Very high0 Ų052.5 Ų52.50%029%0.289CS..EExtended strand (participates in β ladder)trans-129.5152.8176.3-55.90000110.6F14 E15 R16 M29 Y39 Y40 M42F14-V31 HydrophobicContact CB-CB 4.13Å; F14-V31 HydrophobicContact CB-CG2 4.3Å; F14-V31 HydrophobicContact CD1-CB 4.44Å; F14-V31 HydrophobicContact CD1-CG2 3.77Å; F14-V31 HydrophobicContact CG-CG2 4.27Å; E15-V31 CarbonylContact O-C 3.48Å; E15-V31 WeakPolarHBondContact O-CA 3.12Å; E15-V31 WeakPolarHBondContact O-CB 3.46Å; R16-V31 HydrophobicContact CG-CG1 4.11Å; M29-V31 HydrophobicContact CB-CG1 4.21Å; M29-V31 PolarHBondContact O-N 3.46Å; V31-Y39 CarbonylContact O-C 3.49Å; V31-Y39 WeakPolarHBondContact O-CA 3.22Å; V31-Y40 PolarHBondContact N-O 3.15Å; V31-Y40 PolarHBondContact O-N 2.7Å; V31-M42 HydrophobicContact CB-CB 4.49Å; V31-M42 HydrophobicContact CB-CE 4.36Å; V31-M42 HydrophobicContact CG1-CB 3.69Å; V31-M42 HydrophobicContact CG1-CE 3.99Å; V31-M42 HydrophobicContact CG1-SD 4.17Å; V31-M42 HydrophobicContact CG2-CB 3.93Å; V31-M42 HydrophobicContact CG2-CE 3.94Å
32R98.4Very high95Very high67 Ų6751.8 Ų51.825%0.25328%0.282SS..EExtended strand (participates in β ladder)trans-113.5123.3172-179.1172.667.7164.2-7.3109.3F14 E15 L17 K34 Q37 Q38 Y39F14-R32 WeakPolarHBondContact CA-O 3.5Å; E15-R32 HydrophobicContact CB-CB 4.48Å; E15-R32 PolarHBondContact N-O 3.2Å; E15-R32 PolarHBondContact O-N 3.37Å; E15-R32 IonicContact OE1-NH2 2.89Å; E15-R32 IonicContact OE2-CZ 2.8Å; E15-R32 IonicContact OE2-NE 3.63Å; E15-R32 PolarHBondContact OE2-NE 3.31Å; E15-R32 IonicContact OE2-NH2 2.78Å; E15-R32 PolarHBondContact OE2-NH2 3.37Å; L17-R32 HydrophobicContact CD1-CB 3.96Å; R32-K34 PolarHBondContact O-N 2.86Å; R32-Q37 VanDerWaalsContact CZ-OE1 3.23Å; R32-Q38 WeakPolarHBondContact CA-O 3.35Å; R32-Y39 HydrophobicContact CB-CD1 4.25Å; R32-Y39 HydrophobicContact CB-CE1 4.2Å; R32-Y39 HydrophobicContact CG-CE1 4.43Å
33H98Very high95.2Very high24 Ų2449 Ų4911%0.11126%0.263CS..EExtended strand (participates in β ladder)trans-69.7122.5174-179-122.6000109.7D13 F14 Q35 S36 Q37 Q38 Y40D13-H33 PolarHBondContact O-CD2 3.45Å; F14-H33 HydrophobicContact CD1-CB 4Å; F14-H33 HydrophobicContact CE1-CB 3.92Å; F14-H33 AromaticContact CE1-CD2 3.78Å; H33-Q35 VanDerWaalsContact C-N 3.32Å; H33-Q35 PolarHBondContact O-N 3.25Å; H33-S36 PolarHBondContact ND1-N 2.84Å; H33-S36 PolarHBondContact ND1-OG 3.29Å; H33-Q37 WeakPolarHBondContact O-CA 3.33Å; H33-Q37 PolarHBondContact O-N 3.14Å; H33-Q38 PolarHBondContact N-O 2.88Å; H33-Y40 HydrophobicContact CB-CD2 4.1Å; H33-Y40 HydrophobicContact CB-CE2 3.72Å
34K97.8Very high95.9Very high113 Ų11346.7 Ų46.749%0.49124%0.238SC..THydrogen-bonded Turntrans-62.6-37.9-168.7-69.4175.7-177.5170.80112.6D12 D13 R32 Q37D12-K34 WeakPolarHBondContact O-CD 3.39Å; D12-K34 VanDerWaalsContact O-CE 3.25Å; D12-K34 WeakPolarHBondContact O-CE 3.47Å; D12-K34 PolarHBondContact O-NZ 3.33Å; D13-K34 WeakPolarHBondContact O-CG 3.38Å; D13-K34 PolarHBondContact O-N 2.8Å; R32-K34 PolarHBondContact O-N 2.86Å; K34-Q37 PolarHBondContact O-NE2 3.31Å
35Q96.2Very high96.6Very high174 Ų17441.9 Ų41.981%0.81320%0.204SC*.THydrogen-bonded Turntrans-77.2-50.4-177.9-170.8-177.615.100112.6H33H33-Q35 VanDerWaalsContact C-N 3.32Å; H33-Q35 PolarHBondContact O-N 3.25Å
36S96.2Very high97Very high62 Ų6242 Ų4243%0.43421%0.206SC..THydrogen-bonded Turntrans-89.5-9.6-174.469.40000114.2H33 Q38H33-S36 PolarHBondContact ND1-N 2.84Å; H33-S36 PolarHBondContact ND1-OG 3.29Å; S36-Q38 PolarHBondContact O-N 3.22Å; S36-Q38 WeakPolarHBondContact OG-CB 3.23Å; S36-Q38 PolarHBondContact OG-N 3.28Å
37Q96.9Very high97.4Very high92 Ų9241.1 Ų41.143%0.4320%0.197SC..  trans59.811.7-173.9-60.3-66.6-55.500114.3R32 H33 K34R32-Q37 VanDerWaalsContact CZ-OE1 3.23Å; H33-Q37 WeakPolarHBondContact O-CA 3.33Å; H33-Q37 PolarHBondContact O-N 3.14Å; K34-Q37 PolarHBondContact O-NE2 3.31Å
38Q97.1Very high97.5Very high101 Ų10145.1 Ų45.147%0.47222%0.216SC..  trans-79.4143.3-179.9-170.3167.7-1.400111.2R32 H33 S36 Y40R32-Q38 WeakPolarHBondContact CA-O 3.35Å; H33-Q38 PolarHBondContact N-O 2.88Å; S36-Q38 PolarHBondContact O-N 3.22Å; S36-Q38 WeakPolarHBondContact OG-CB 3.23Å; S36-Q38 PolarHBondContact OG-N 3.28Å; Q38-Y40 HydrophobicContact CB-CE2 3.97Å; Q38-Y40 VanDerWaalsContact CD-OH 3.22Å; Q38-Y40 HydrophobicContact CG-CE1 4.13Å; Q38-Y40 HydrophobicContact CG-CE2 4.12Å; Q38-Y40 PolarHBondContact OE1-OH 3.32Å
39Y98.1Very high97.5Very high58 Ų5848.1 Ų48.123%0.22723%0.226CC..EExtended strand (participates in β ladder)trans-90.7140.8178.9-64.7-87.7000111.7L17 L30 V31 R32 P292L17-Y39 HydrophobicContact CD1-CD1 3.87Å; L17-Y39 HydrophobicContact CD1-CE1 3.52Å; L30-Y39 HydrophobicContact CD1-CD1 3.97Å; L30-Y39 HydrophobicContact CD1-CG 4.45Å; L30-Y39 HydrophobicContact CD2-CD1 4.49Å; L30-Y39 HydrophobicContact CG-CD1 4.36Å; V31-Y39 CarbonylContact O-C 3.49Å; V31-Y39 WeakPolarHBondContact O-CA 3.22Å; R32-Y39 HydrophobicContact CB-CD1 4.25Å; R32-Y39 HydrophobicContact CB-CE1 4.2Å; R32-Y39 HydrophobicContact CG-CE1 4.43Å; Y39-P292 HydrophobicContact CD2-CB 4.02Å; Y39-P292 HydrophobicContact CE2-CB 4.36Å
40Y98.4Very high97.4Very high8 Ų847.9 Ų47.93%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-139.1158.9179.7-62-69.4000111.3F14 L30 V31 H33 Q38 M78 F79 V90 L91F14-Y40 HydrophobicContact CD1-CD2 4.46Å; F14-Y40 AromaticContact CE1-CD2 3.95Å; F14-Y40 HydrophobicContact CE1-CD2 3.95Å; F14-Y40 HydrophobicContact CE1-CE2 4.35Å; L30-Y40 WeakPolarHBondContact CA-O 3.47Å; V31-Y40 PolarHBondContact N-O 3.15Å; V31-Y40 PolarHBondContact O-N 2.7Å; H33-Y40 HydrophobicContact CB-CD2 4.1Å; H33-Y40 HydrophobicContact CB-CE2 3.72Å; Q38-Y40 HydrophobicContact CB-CE2 3.97Å; Q38-Y40 VanDerWaalsContact CD-OH 3.22Å; Q38-Y40 HydrophobicContact CG-CE1 4.13Å; Q38-Y40 HydrophobicContact CG-CE2 4.12Å; Q38-Y40 PolarHBondContact OE1-OH 3.32Å; Y40-M78 HydrophobicContact CD1-CB 4.47Å; Y40-M78 HydrophobicContact CD1-CG 4.06Å; Y40-M78 HydrophobicContact CE1-CB 4.11Å; Y40-M78 HydrophobicContact CE1-CG 3.67Å; Y40-F79 HydrophobicContact CE1-CE2 4.49Å; Y40-F79 AromaticContact CE2-CE2 4Å; Y40-F79 HydrophobicContact CE2-CE2 4Å; Y40-F79 AromaticContact CZ-CE2 3.91Å; Y40-V90 VanDerWaalsContact CB-CG1 3.42Å; Y40-V90 HydrophobicContact CD1-CG1 4.21Å; Y40-V90 HydrophobicContact CD2-CG1 4.1Å; Y40-V90 HydrophobicContact CG-CG1 3.65Å; Y40-L91 WeakPolarHBondContact CA-O 3.49Å; Y40-L91 WeakPolarHBondContact CB-O 3.37Å
41A98.1Very high97.4Very high11 Ų1149.9 Ų49.99%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-99.9107.8168.200000108.9L20 V28 M29 L91 F93L20-A41 HydrophobicContact CD1-CB 4.14Å; V28-A41 HydrophobicContact CG1-CB 3.92Å; M29-A41 CarbonylContact O-C 3.39Å; M29-A41 WeakPolarHBondContact O-CA 3.33Å; A41-L91 HydrophobicContact CB-CB 4.42Å; A41-L91 PolarHBondContact N-O 3.21Å; A41-L91 WeakPolarHBondContact O-CB 3.29Å; A41-L91 PolarHBondContact O-N 3.46Å; A41-F93 HydrophobicContact CB-CD2 4.45Å
42M98Very high97.3Very high0 Ų058.2 Ų58.20%027%0.274CS..EExtended strand (participates in β ladder)trans-92.7108.2179-175.3-178.6-68.500110.1L11 F14 V28 M29 V31 I44 F81 Y88 V90L11-M42 HydrophobicContact CD1-CE 4.24Å; L11-M42 HydrophobicContact CD1-SD 3.79Å; F14-M42 HydrophobicContact CB-CE 3.76Å; F14-M42 HydrophobicContact CD1-CE 4.13Å; F14-M42 HydrophobicContact CD2-CE 3.49Å; F14-M42 VanDerWaalsContact CD2-CE 3.49Å; F14-M42 HydrophobicContact CE2-CE 4.09Å; F14-M42 HydrophobicContact CG-CE 3.51Å; V28-M42 CarbonylContact C-O 3.57Å; V28-M42 WeakPolarHBondContact CA-O 2.89Å; M29-M42 PolarHBondContact N-O 3.37Å; M29-M42 PolarHBondContact O-N 2.77Å; V31-M42 HydrophobicContact CB-CB 4.49Å; V31-M42 HydrophobicContact CB-CE 4.36Å; V31-M42 HydrophobicContact CG1-CB 3.69Å; V31-M42 HydrophobicContact CG1-CE 3.99Å; V31-M42 HydrophobicContact CG1-SD 4.17Å; V31-M42 HydrophobicContact CG2-CB 3.93Å; V31-M42 HydrophobicContact CG2-CE 3.94Å; M42-I44 HydrophobicContact CG-CD1 4.45Å; M42-I44 HydrophobicContact CG-CG1 3.85Å; M42-I44 HydrophobicContact SD-CD1 4.18Å; M42-I44 HydrophobicContact SD-CG1 4.08Å; M42-F81 HydrophobicContact CE-CZ 4.1Å; M42-Y88 HydrophobicContact CG-CD1 4.19Å; M42-Y88 HydrophobicContact SD-CD1 3.7Å; M42-Y88 HydrophobicContact SD-CE1 4.25Å; M42-V90 HydrophobicContact CE-CG2 3.98Å; M42-V90 HydrophobicContact CG-CG2 4.26Å
43K97Very high97.1Very high25 Ų2558.9 Ų58.911%0.10928%0.282CS..EExtended strand (participates in β ladder)trans-78.8116.5168.8-166.5174.6-167.1-173.10108.1R27 V28 L45 E62 Y88 M89 D155R27-K43 WeakPolarHBondContact O-CA 3.41Å; V28-K43 HydrophobicContact CG2-CB 4.28Å; V28-K43 HydrophobicContact CG2-CG 4.12Å; K43-L45 HydrophobicContact CD-CD2 4.36Å; K43-L45 HydrophobicContact CG-CD2 3.9Å; K43-L45 HydrophobicContact CG-CG 4.41Å; K43-E62 IonicContact NZ-OE1 3Å; K43-E62 PolarHBondContact NZ-OE1 3.36Å; K43-E62 IonicContact NZ-OE2 3.53Å; K43-E62 PolarHBondContact NZ-OE2 2.89Å; K43-Y88 WeakPolarHBondContact O-CA 3.28Å; K43-M89 HydrophobicContact CB-CB 4.34Å; K43-M89 HydrophobicContact CD-CE 3.92Å; K43-M89 HydrophobicContact CG-CE 4.43Å; K43-M89 PolarHBondContact N-O 3.45Å; K43-M89 PolarHBondContact O-N 2.9Å; K43-D155 IonicContact NZ-OD1 2.7Å; K43-D155 PolarHBondContact NZ-OD1 3.23Å
44I97.5Very high96.9Very high4 Ų466.5 Ų66.52%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-110.5119-178.8-50.8175.5000107.9G26 R27 M29 M42 N86 L87 Y88 L306G26-I44 CarbonylContact C-O 3.43Å; G26-I44 WeakPolarHBondContact CA-O 3.43Å; R27-I44 HydrophobicContact CG-CB 4.36Å; R27-I44 PolarHBondContact N-O 3.23Å; R27-I44 PolarHBondContact O-N 3.04Å; M29-I44 HydrophobicContact CG-CD1 4.04Å; M29-I44 HydrophobicContact SD-CD1 3.72Å; M42-I44 HydrophobicContact CG-CD1 4.45Å; M42-I44 HydrophobicContact CG-CG1 3.85Å; M42-I44 HydrophobicContact SD-CD1 4.18Å; M42-I44 HydrophobicContact SD-CG1 4.08Å; I44-N86 HydrophobicContact CG2-CB 4.02Å; I44-L87 WeakPolarHBondContact CA-O 3.24Å; I44-Y88 HydrophobicContact CB-CD1 4.45Å; I44-Y88 HydrophobicContact CB-CE1 4.41Å; I44-Y88 HydrophobicContact CD1-CE1 4.36Å; I44-Y88 HydrophobicContact CG1-CD1 3.97Å; I44-Y88 HydrophobicContact CG1-CE1 4.05Å; I44-Y88 HydrophobicContact CG2-CD1 4.15Å; I44-Y88 HydrophobicContact CG2-CE1 3.72Å; I44-L306 HydrophobicContact CD1-CD2 4.31Å; I44-L306 HydrophobicContact CG2-CD1 3.79Å
45L96.8Very high96.7Very high2 Ų263.1 Ų63.11%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-117.5127.6-177.7-50.8178.1000110.4F25 K43 K47 V50 T59 N86 L87 M89F25-L45 HydrophobicContact CD2-CD2 3.78Å; F25-L45 HydrophobicContact CE2-CD1 4.32Å; F25-L45 HydrophobicContact CE2-CD2 3.76Å; K43-L45 HydrophobicContact CD-CD2 4.36Å; K43-L45 HydrophobicContact CG-CD2 3.9Å; K43-L45 HydrophobicContact CG-CG 4.41Å; L45-K47 PolarHBondContact O-N 3.11Å; L45-V50 HydrophobicContact CB-CG2 4.07Å; L45-T59 HydrophobicContact CD1-CG2 3.54Å; L45-N86 CarbonylContact O-C 3.59Å; L45-N86 WeakPolarHBondContact O-CA 3.28Å; L45-L87 HydrophobicContact CB-CB 4.26Å; L45-L87 PolarHBondContact N-O 3.06Å; L45-L87 PolarHBondContact O-N 2.92Å; L45-M89 HydrophobicContact CD1-CE 3.6Å; L45-M89 HydrophobicContact CG-CE 4.41Å
46D97.1Very high96.7Very high42 Ų4256.4 Ų56.423%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-75.5118.1176.3174.5-41.2000109.7F25 Q48 K49 V50F25-D46 PolarHBondContact O-N 3.41Å; D46-Q48 VanDerWaalsContact C-N 3.3Å; D46-Q48 PolarHBondContact O-N 3.32Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.06Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.49Å; D46-Q48 PolarHBondContact OD1-N 3.46Å; D46-K49 HydrophobicContact CB-CB 3.98Å; D46-K49 HydrophobicContact CB-CD 3.9Å; D46-K49 HydrophobicContact CB-CG 3.96Å; D46-K49 PolarHBondContact O-N 2.83Å; D46-K49 PolarHBondContact OD1-N 3.32Å; D46-K49 WeakPolarHBondContact OD2-CE 3.49Å; D46-V50 VanDerWaalsContact O-CG2 3.28Å; D46-V50 WeakPolarHBondContact O-CG2 3.19Å; D46-V50 PolarHBondContact O-N 3.4Å
47K97.7Very high96.6Very high2 Ų258.4 Ų58.41%0.00927%0.274CS..Hα-helixtrans-56.8-42.2-176.7-71.9-175.6-170.9-1790112.2L45 V50 V51 D83 S85 L87 D312 K313 C314 F318L45-K47 PolarHBondContact O-N 3.11Å; K47-V50 PolarHBondContact O-N 2.83Å; K47-V51 WeakPolarHBondContact O-CG2 3.49Å; K47-V51 PolarHBondContact O-N 3Å; K47-D83 WeakPolarHBondContact CE-O 3.45Å; K47-D83 PolarHBondContact NZ-O 2.79Å; K47-S85 WeakPolarHBondContact CB-O 3.29Å; K47-S85 WeakPolarHBondContact CG-O 3.45Å; K47-S85 PolarHBondContact N-O 3.34Å; K47-L87 HydrophobicContact CD-CD2 4.25Å; K47-L87 HydrophobicContact CG-CD1 4.49Å; K47-L87 HydrophobicContact CG-CD2 3.89Å; K47-L87 HydrophobicContact CG-CG 3.86Å; K47-D312 IonicContact NZ-OD1 3.8Å; K47-D312 PolarHBondContact NZ-OD1 3.4Å; K47-K313 WeakPolarHBondContact CD-O 3.4Å; K47-K313 PolarHBondContact NZ-O 3.12Å; K47-C314 HydrophobicContact CB-CB 4.15Å; K47-F318 HydrophobicContact CB-CD2 4Å; K47-F318 HydrophobicContact CB-CE2 3.69Å; K47-F318 HydrophobicContact CD-CD2 3.87Å; K47-F318 HydrophobicContact CD-CE2 4.42Å; K47-F318 HydrophobicContact CG-CD2 3.75Å; K47-F318 HydrophobicContact CG-CE2 3.87Å
48Q97.1Very high96.4Very high110 Ų11055.2 Ų55.251%0.51426%0.259SS..Hα-helixtrans-69.5-39.8-178.2-60-170.5-87.600111.1D46 V51 K52 K313D46-Q48 VanDerWaalsContact C-N 3.3Å; D46-Q48 PolarHBondContact O-N 3.32Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.06Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.49Å; D46-Q48 PolarHBondContact OD1-N 3.46Å; Q48-V51 PolarHBondContact O-N 2.84Å; Q48-K52 VanDerWaalsContact O-CB 3.29Å; Q48-K52 WeakPolarHBondContact O-CB 3.24Å; Q48-K52 PolarHBondContact O-N 3.33Å; Q48-K313 HydrophobicContact CG-CB 3.96Å; Q48-K313 HydrophobicContact CG-CG 4.23Å
49K96.8Very high96.3Very high104 Ų10450.5 Ų50.545%0.45224%0.237SC..Hα-helixtrans-65.1-42.7174.7-67.9-178.1-170.1174.80111.6F25 D46 V51 K52 L53F25-K49 HydrophobicContact CB-CB 3.85Å; D46-K49 HydrophobicContact CB-CB 3.98Å; D46-K49 HydrophobicContact CB-CD 3.9Å; D46-K49 HydrophobicContact CB-CG 3.96Å; D46-K49 PolarHBondContact O-N 2.83Å; D46-K49 PolarHBondContact OD1-N 3.32Å; D46-K49 WeakPolarHBondContact OD2-CE 3.49Å; K49-V51 VanDerWaalsContact C-N 3.34Å; K49-V51 PolarHBondContact O-N 3.17Å; K49-K52 PolarHBondContact O-N 2.89Å; K49-L53 WeakPolarHBondContact O-CB 3.37Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 3.12Å
50V96.9Very high96.2Very high0 Ų048.7 Ų48.70%023%0.231CC..Hα-helixtrans-58.8-45.8176.3173.60000110.8F25 L45 D46 K47 K54 Q55 V56 T59 F318F25-V50 HydrophobicContact CB-CG2 4.27Å; F25-V50 HydrophobicContact CD2-CG2 3.65Å; F25-V50 HydrophobicContact CE2-CG2 4.35Å; F25-V50 HydrophobicContact CG-CG2 4.18Å; L45-V50 HydrophobicContact CB-CG2 4.07Å; D46-V50 VanDerWaalsContact O-CG2 3.28Å; D46-V50 WeakPolarHBondContact O-CG2 3.19Å; D46-V50 PolarHBondContact O-N 3.4Å; K47-V50 PolarHBondContact O-N 2.83Å; V50-K54 PolarHBondContact O-N 3.48Å; V50-Q55 HydrophobicContact CG1-CB 3.97Å; V50-Q55 PolarHBondContact O-N 2.73Å; V50-V56 HydrophobicContact CG1-CG2 4.32Å; V50-T59 WeakPolarHBondContact CG1-OG1 3.25Å; V50-F318 HydrophobicContact CB-CZ 3.89Å; V50-F318 HydrophobicContact CG1-CE1 3.89Å; V50-F318 HydrophobicContact CG1-CZ 3.52Å
51V97Very high96Very high48 Ų4849.8 Ų49.829%0.29124%0.238SC..Hα-helixtrans-64.1-47.7176.3172.20000111.3K47 Q48 K49 L53 K54 V56 C314 E317 F318K47-V51 WeakPolarHBondContact O-CG2 3.49Å; K47-V51 PolarHBondContact O-N 3Å; Q48-V51 PolarHBondContact O-N 2.84Å; K49-V51 VanDerWaalsContact C-N 3.34Å; K49-V51 PolarHBondContact O-N 3.17Å; V51-L53 VanDerWaalsContact C-N 3.29Å; V51-L53 PolarHBondContact O-N 2.77Å; V51-K54 PolarHBondContact O-N 3.35Å; V51-V56 HydrophobicContact CB-CG2 4.44Å; V51-V56 HydrophobicContact CG2-CG2 3.77Å; V51-C314 HydrophobicContact CG2-CB 3.99Å; V51-E317 HydrophobicContact CG2-CB 4.21Å; V51-E317 HydrophobicContact CG2-CG 4.04Å; V51-F318 HydrophobicContact CG2-CE2 3.79Å; V51-F318 HydrophobicContact CG2-CZ 4.03Å
52K96.6Very high96Very high176 Ų17649.4 Ų49.477%0.76523%0.234SC*.Hα-helixtrans-58.3-39.5-180-176.8179.7177.5-177.70112.4Q48 K49 K54Q48-K52 VanDerWaalsContact O-CB 3.29Å; Q48-K52 WeakPolarHBondContact O-CB 3.24Å; Q48-K52 PolarHBondContact O-N 3.33Å; K49-K52 PolarHBondContact O-N 2.89Å; K52-K54 VanDerWaalsContact C-N 3.28Å; K52-K54 PolarHBondContact O-N 2.79Å
53L94.1Very high95.9Very high80 Ų8049.9 Ų49.942%0.41924%0.236SC..THydrogen-bonded Turntrans-87.98.7178.8-62.5-179.8000113.6F25 K49 V51 Q55F25-L53 HydrophobicContact CB-CD1 4.11Å; F25-L53 HydrophobicContact CD1-CD1 4.02Å; K49-L53 WeakPolarHBondContact O-CB 3.37Å; K49-L53 WeakPolarHBondContact O-CG 3.39Å; K49-L53 PolarHBondContact O-N 3.12Å; V51-L53 VanDerWaalsContact C-N 3.29Å; V51-L53 PolarHBondContact O-N 2.77Å; L53-Q55 VanDerWaalsContact C-N 3.26Å; L53-Q55 HydrophobicContact CB-CG 4.07Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-Q55 PolarHBondContact O-NE2 3.45Å
54K94.2Very high95.8Very high184 Ų18454.4 Ų54.480%0.825%0.252SS*.THydrogen-bonded Turntrans5636.5178.7-55.9-179.7178.4179.50113.4V50 V51 K52V50-K54 PolarHBondContact O-N 3.48Å; V51-K54 PolarHBondContact O-N 3.35Å; K52-K54 VanDerWaalsContact C-N 3.28Å; K52-K54 PolarHBondContact O-N 2.79Å
55Q94Very high95.8Very high42 Ų4254.7 Ų54.720%0.19625%0.254CS..  trans-98.87.9-177.6-63.5-54.5-5600114F25 V50 L53 E57 H58 T59F25-Q55 HydrophobicContact CD1-CG 4.24Å; F25-Q55 HydrophobicContact CE1-CB 4.5Å; F25-Q55 HydrophobicContact CE1-CG 3.92Å; F25-Q55 HydrophobicContact CZ-CG 4.42Å; V50-Q55 HydrophobicContact CG1-CB 3.97Å; V50-Q55 PolarHBondContact O-N 2.73Å; L53-Q55 VanDerWaalsContact C-N 3.26Å; L53-Q55 HydrophobicContact CB-CG 4.07Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-Q55 PolarHBondContact O-NE2 3.45Å; Q55-E57 PolarHBondContact O-N 3.45Å; Q55-H58 PolarHBondContact O-N 3.4Å; Q55-H58 VanDerWaalsContact O-N 3.15Å; Q55-H58 PolarHBondContact OE1-ND1 2.85Å; Q55-T59 PolarHBondContact O-N 2.78Å; Q55-T59 PolarHBondContact O-OG1 3.44Å
56V95.6Very high95.8Very high33 Ų3354.8 Ų54.820%0.225%0.254CS..Hα-helixtrans-54.3-50.1-176.1-179.20000112.4V50 V51 H58 T59 L60 E317 F318V50-V56 HydrophobicContact CG1-CG2 4.32Å; V51-V56 HydrophobicContact CB-CG2 4.44Å; V51-V56 HydrophobicContact CG2-CG2 3.77Å; V56-H58 PolarHBondContact O-N 3.04Å; V56-T59 PolarHBondContact O-N 3.38Å; V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 WeakPolarHBondContact O-CG 3.27Å; V56-L60 PolarHBondContact O-N 3.02Å; V56-E317 HydrophobicContact CG1-CB 4.27Å; V56-E317 HydrophobicContact CG2-CB 4.5Å; V56-F318 HydrophobicContact CB-CE1 4.37Å; V56-F318 HydrophobicContact CG1-CD1 4.43Å; V56-F318 HydrophobicContact CG1-CE1 3.94Å; V56-F318 HydrophobicContact CG1-CZ 4.41Å; V56-F318 HydrophobicContact CG2-CE1 4.27Å; V56-F318 HydrophobicContact CG2-CZ 3.98Å
57E93.6Very high95.7Very high104 Ų10456.8 Ų56.849%0.48626%0.262SS..Hα-helixtrans-61.7-43.3179.2-170.1-164.9144.800111.5Q55 L60 N61 K160Q55-E57 PolarHBondContact O-N 3.45Å; E57-L60 PolarHBondContact O-N 3.45Å; E57-N61 VanDerWaalsContact O-CB 3.27Å; E57-N61 WeakPolarHBondContact O-CB 3.21Å; E57-N61 PolarHBondContact O-N 3.45Å; E57-N61 PolarHBondContact O-ND2 3.32Å; E57-N61 PolarHBondContact OE1-ND2 2.77Å; E57-K160 IonicContact OE1-NZ 3.54Å; E57-K160 PolarHBondContact OE1-NZ 2.92Å
58H92.3Very high95.5Very high26 Ų2659.8 Ų59.812%0.1228%0.283CS..Hα-helixtrans-63.5-44179.3-70.6163.8000111.8Q55 V56 N61 E62 G157Q55-H58 PolarHBondContact O-N 3.4Å; Q55-H58 VanDerWaalsContact O-N 3.15Å; Q55-H58 PolarHBondContact OE1-ND1 2.85Å; V56-H58 PolarHBondContact O-N 3.04Å; H58-N61 PolarHBondContact O-N 3.07Å; H58-E62 WeakPolarHBondContact O-CB 3.38Å; H58-E62 PolarHBondContact O-N 2.83Å; H58-G157 WeakPolarHBondContact CB-O 3.42Å
59T95.6Very high95.5Very high1 Ų155.1 Ų55.11%0.00626%0.262CS..Hα-helixtrans-64.3-43.1177.6-59.30000112.5L45 V50 Q55 V56 E62 K63 L87 F321L45-T59 HydrophobicContact CD1-CG2 3.54Å; V50-T59 WeakPolarHBondContact CG1-OG1 3.25Å; Q55-T59 PolarHBondContact O-N 2.78Å; Q55-T59 PolarHBondContact O-OG1 3.44Å; V56-T59 PolarHBondContact O-N 3.38Å; T59-E62 PolarHBondContact O-N 2.85Å; T59-K63 PolarHBondContact O-N 3.04Å; T59-K63 VanDerWaalsContact O-N 3.12Å; T59-L87 HydrophobicContact CG2-CD1 3.6Å; T59-F321 HydrophobicContact CG2-CD2 4.25Å; T59-F321 HydrophobicContact CG2-CE2 3.85Å
60L96.1Very high95.5Very high21 Ų2156 Ų5611%0.1127%0.272CS..Hα-helixtrans-66-39.2175.9-68.2173.8000111.7V56 E57 R64 F318 F321V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 WeakPolarHBondContact O-CG 3.27Å; V56-L60 PolarHBondContact O-N 3.02Å; E57-L60 PolarHBondContact O-N 3.45Å; L60-R64 WeakPolarHBondContact O-CB 3.39Å; L60-R64 VanDerWaalsContact O-CG 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.38Å; L60-R64 PolarHBondContact O-N 3.39Å; L60-F318 HydrophobicContact CD2-CD1 4.44Å; L60-F321 HydrophobicContact CD2-CB 3.91Å; L60-F321 HydrophobicContact CD2-CD2 4.12Å
61N94.9Very high95.6Very high31 Ų3156.9 Ų56.917%0.16628%0.276CS..Hα-helixtrans-65.7-44.9176-76-21.5000111.8E57 H58 K63 R64 I65E57-N61 VanDerWaalsContact O-CB 3.27Å; E57-N61 WeakPolarHBondContact O-CB 3.21Å; E57-N61 PolarHBondContact O-N 3.45Å; E57-N61 PolarHBondContact O-ND2 3.32Å; E57-N61 PolarHBondContact OE1-ND2 2.77Å; H58-N61 PolarHBondContact O-N 3.07Å; N61-K63 PolarHBondContact O-N 2.87Å; N61-R64 PolarHBondContact O-N 3.48Å; N61-I65 VanDerWaalsContact O-CB 3.32Å; N61-I65 WeakPolarHBondContact O-CB 3.42Å; N61-I65 VanDerWaalsContact O-CG1 3.26Å; N61-I65 WeakPolarHBondContact O-CG1 3.41Å; N61-I65 PolarHBondContact O-N 3.19Å
62E96.3Very high95.6Very high3 Ų356.2 Ų56.21%0.01427%0.273CS..Hα-helixtrans-54.4-54.1176.7175.5169.4-152.300110.2K43 H58 T59 R64 I65 L66 M89 F156 G157K43-E62 IonicContact NZ-OE1 3Å; K43-E62 PolarHBondContact NZ-OE1 3.36Å; K43-E62 IonicContact NZ-OE2 3.53Å; K43-E62 PolarHBondContact NZ-OE2 2.89Å; H58-E62 WeakPolarHBondContact O-CB 3.38Å; H58-E62 PolarHBondContact O-N 2.83Å; T59-E62 PolarHBondContact O-N 2.85Å; E62-R64 PolarHBondContact O-N 3.17Å; E62-I65 PolarHBondContact O-N 2.8Å; E62-L66 HydrophobicContact CG-CD1 3.76Å; E62-L66 HydrophobicContact CG-CG 4.5Å; E62-L66 WeakPolarHBondContact O-CB 3.41Å; E62-L66 WeakPolarHBondContact O-CG 3.22Å; E62-L66 PolarHBondContact O-N 2.81Å; E62-M89 HydrophobicContact CG-CE 4.27Å; E62-M89 HydrophobicContact CG-SD 4.05Å; E62-F156 HydrophobicContact CG-CB 3.95Å; E62-F156 PolarHBondContact OE1-N 3.42Å; E62-G157 PolarHBondContact OE1-N 2.82Å
63K96.3Very high95.7Very high10 Ų1047.9 Ų47.94%0.04324%0.236CC..Hα-helixtrans-57.8-51.1178.5-174.5-90.8-176.1168.10111.5T59 N61 I65 L66 Q67 M77 A80 M89 F321T59-K63 PolarHBondContact O-N 3.04Å; T59-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 PolarHBondContact O-N 2.87Å; K63-I65 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.91Å; K63-L66 PolarHBondContact O-N 2.84Å; K63-Q67 HydrophobicContact CD-CG 4.41Å; K63-Q67 WeakPolarHBondContact O-CG 3.37Å; K63-Q67 PolarHBondContact O-N 3.35Å; K63-M77 HydrophobicContact CG-CE 4.23Å; K63-A80 HydrophobicContact CG-CB 4.32Å; K63-M89 HydrophobicContact CB-SD 4.03Å; K63-F321 HydrophobicContact CB-CD2 4.43Å; K63-F321 HydrophobicContact CB-CE2 3.9Å; K63-F321 HydrophobicContact CB-CZ 4.27Å; K63-F321 WeakPolarHBondContact CD-OXT 3.4Å; K63-F321 WeakPolarHBondContact CE-OXT 3.37Å; K63-F321 HydrophobicContact CG-CD2 4.43Å; K63-F321 HydrophobicContact CG-CE1 4.34Å; K63-F321 HydrophobicContact CG-CE2 3.97Å; K63-F321 HydrophobicContact CG-CZ 3.93Å; K63-F321 PolarHBondContact NZ-OXT 2.64Å
64R96.4Very high95.9Very high119 Ų11944 Ų4445%0.44922%0.216SC..Hα-helixtrans-61.4-40.6-179.3-75.1173.2-177.9173.4-0.1112.5L60 N61 E62 S68 D320L60-R64 WeakPolarHBondContact O-CB 3.39Å; L60-R64 VanDerWaalsContact O-CG 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.38Å; L60-R64 PolarHBondContact O-N 3.39Å; N61-R64 PolarHBondContact O-N 3.48Å; E62-R64 PolarHBondContact O-N 3.17Å; R64-S68 WeakPolarHBondContact O-CB 3.25Å; R64-S68 PolarHBondContact O-N 3.35Å; R64-S68 PolarHBondContact O-OG 3.05Å; R64-D320 IonicContact NH2-OD2 3.38Å; R64-D320 PolarHBondContact NH2-OD2 3.03Å
65I97.2Very high96.1Very high10 Ų1035.4 Ų35.45%0.05118%0.179CC..Hα-helixtrans-67.3-50.7179-72.5169.2000109.8N61 E62 K63 Q67 S68 V69 I133 F156 A159N61-I65 VanDerWaalsContact O-CB 3.32Å; N61-I65 WeakPolarHBondContact O-CB 3.42Å; N61-I65 VanDerWaalsContact O-CG1 3.26Å; N61-I65 WeakPolarHBondContact O-CG1 3.41Å; N61-I65 PolarHBondContact O-N 3.19Å; E62-I65 PolarHBondContact O-N 2.8Å; K63-I65 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.91Å; I65-Q67 PolarHBondContact O-N 3.26Å; I65-S68 WeakPolarHBondContact O-CA 3.45Å; I65-S68 PolarHBondContact O-N 3.49Å; I65-S68 PolarHBondContact O-OG 2.99Å; I65-V69 HydrophobicContact CG2-CG1 4.18Å; I65-V69 WeakPolarHBondContact O-CG2 3.44Å; I65-V69 PolarHBondContact O-N 2.94Å; I65-I133 HydrophobicContact CD1-CG2 4.34Å; I65-I133 HydrophobicContact CG2-CD1 4.03Å; I65-I133 HydrophobicContact CG2-CG2 4.23Å; I65-F156 HydrophobicContact CG2-CD1 3.59Å; I65-F156 HydrophobicContact CG2-CE1 4.03Å; I65-A159 VanDerWaalsContact CD1-C 3.41Å; I65-A159 HydrophobicContact CD1-CB 3.66Å; I65-A159 WeakPolarHBondContact CD1-O 3.43Å; I65-A159 HydrophobicContact CG2-CB 4.31Å
66L96.8Very high96.2Very high4 Ų435.3 Ų35.32%0.02118%0.18CC..Hα-helixtrans-57.4-35179.1-76.3171000112.7E62 K63 S68 V75 M77 M89 L91 F156E62-L66 HydrophobicContact CG-CD1 3.76Å; E62-L66 HydrophobicContact CG-CG 4.5Å; E62-L66 WeakPolarHBondContact O-CB 3.41Å; E62-L66 WeakPolarHBondContact O-CG 3.22Å; E62-L66 PolarHBondContact O-N 2.81Å; K63-L66 PolarHBondContact O-N 2.84Å; L66-S68 VanDerWaalsContact C-N 3.28Å; L66-S68 PolarHBondContact O-N 3.29Å; L66-V75 HydrophobicContact CD2-CG1 4.11Å; L66-M77 HydrophobicContact CB-CB 3.97Å; L66-M77 HydrophobicContact CB-CE 4.05Å; L66-M77 HydrophobicContact CB-SD 4.14Å; L66-M77 HydrophobicContact CD1-SD 4.39Å; L66-M89 HydrophobicContact CD1-SD 4.23Å; L66-L91 HydrophobicContact CD1-CD2 4.09Å; L66-F156 HydrophobicContact CD1-CB 4.34Å; L66-F156 HydrophobicContact CD2-CB 4.15Å; L66-F156 HydrophobicContact CD2-CD1 4.4Å; L66-F156 HydrophobicContact CD2-CD2 3.7Å; L66-F156 HydrophobicContact CD2-CE2 4.16Å; L66-F156 HydrophobicContact CD2-CG 3.83Å; L66-F156 HydrophobicContact CG-CB 4Å; L66-F156 HydrophobicContact CG-CD2 4.49Å; L66-F156 HydrophobicContact CG-CG 4.18Å
67Q94.3Very high96.3Very high85 Ų8535.1 Ų35.140%0.39718%0.177SC..Hα-helixtrans-69.5-24.7173.6-69.8-173.3-49.100114.1K63 I65 M77K63-Q67 HydrophobicContact CD-CG 4.41Å; K63-Q67 WeakPolarHBondContact O-CG 3.37Å; K63-Q67 PolarHBondContact O-N 3.35Å; I65-Q67 PolarHBondContact O-N 3.26Å; Q67-M77 HydrophobicContact CB-CE 4.21Å; Q67-M77 HydrophobicContact CG-CE 3.06Å
68S93.9Very high96.4Very high64 Ų6433.7 Ų33.745%0.44817%0.171SC..Hα-helixtrans-97.8-7.6-171.972.70000114R64 I65 L66R64-S68 WeakPolarHBondContact O-CB 3.25Å; R64-S68 PolarHBondContact O-N 3.35Å; R64-S68 PolarHBondContact O-OG 3.05Å; I65-S68 WeakPolarHBondContact O-CA 3.45Å; I65-S68 PolarHBondContact O-N 3.49Å; I65-S68 PolarHBondContact O-OG 2.99Å; L66-S68 VanDerWaalsContact C-N 3.28Å; L66-S68 PolarHBondContact O-N 3.29Å
69V96.8Very high96.6Very high12 Ų1234.4 Ų34.47%0.07317%0.174CC..  trans-109.5142.6-176.2-62.80000111.5I65 L74 Y127 L128 L131 I133I65-V69 HydrophobicContact CG2-CG1 4.18Å; I65-V69 WeakPolarHBondContact O-CG2 3.44Å; I65-V69 PolarHBondContact O-N 2.94Å; V69-L74 HydrophobicContact CB-CD1 4.16Å; V69-L74 HydrophobicContact CG2-CD1 4.22Å; V69-Y127 WeakPolarHBondContact CA-OH 3.49Å; V69-Y127 HydrophobicContact CB-CE1 3.97Å; V69-Y127 HydrophobicContact CG1-CE1 4.08Å; V69-L128 HydrophobicContact CG1-CD2 3.92Å; V69-L131 HydrophobicContact CG1-CD1 4.36Å; V69-I133 HydrophobicContact CG1-CD1 3.78Å
70N96.5Very high96.6Very high123 Ų12334.5 Ų34.566%0.65818%0.175SC*.  trans-147.3108171.1178.49.9000108.2Y127N70-Y127 PolarHBondContact N-OH 3.01Å
71F98.4Very high96.7Very high19 Ų1933.8 Ų33.88%0.08317%0.171CC..  trans-152.4145.1-178.1-163-104.7000110.8F73 L74 L123 A124 Y127 Y277F71-F73 HydrophobicContact CD1-CB 4.47Å; F71-F73 HydrophobicContact CD1-CD2 4.23Å; F71-F73 AromaticContact CE1-CD2 3.69Å; F71-F73 HydrophobicContact CE1-CD2 3.69Å; F71-F73 HydrophobicContact CE1-CE2 4.19Å; F71-F73 PolarHBondContact O-N 2.91Å; F71-L74 HydrophobicContact CB-CB 4.4Å; F71-L74 HydrophobicContact CB-CD1 3.79Å; F71-L74 HydrophobicContact CB-CG 3.88Å; F71-L74 HydrophobicContact CD1-CG 4.45Å; F71-L74 PolarHBondContact O-N 2.82Å; F71-L123 HydrophobicContact CE1-CB 4.06Å; F71-L123 HydrophobicContact CZ-CB 3.99Å; F71-L123 WeakPolarHBondContact CZ-O 3.44Å; F71-A124 HydrophobicContact CD1-CB 4.32Å; F71-A124 HydrophobicContact CE1-CB 4.29Å; F71-Y127 HydrophobicContact CB-CD1 3.75Å; F71-Y127 HydrophobicContact CB-CD2 4.48Å; F71-Y127 HydrophobicContact CB-CE1 3.87Å; F71-Y127 HydrophobicContact CB-CG 4.09Å; F71-Y127 AromaticContact CD2-CD1 3.98Å; F71-Y127 HydrophobicContact CD2-CD1 3.98Å; F71-Y127 AromaticContact CD2-CD2 3.48Å; F71-Y127 HydrophobicContact CD2-CD2 3.48Å; F71-Y127 VanDerWaalsContact CD2-CD2 3.48Å; F71-Y127 HydrophobicContact CD2-CE2 4.1Å; F71-Y127 AromaticContact CD2-CG 3.4Å; F71-Y127 HydrophobicContact CD2-CG 3.4Å; F71-Y127 AromaticContact CE2-CD2 3.99Å; F71-Y127 HydrophobicContact CE2-CD2 3.99Å; F71-Y127 AromaticContact CE2-CG 3.9Å; F71-Y127 HydrophobicContact CE2-CG 3.9Å; F71-Y127 AromaticContact CG-CD1 3.88Å; F71-Y127 HydrophobicContact CG-CD1 3.88Å; F71-Y127 HydrophobicContact CG-CD2 4.23Å; F71-Y127 HydrophobicContact CG-CE1 4.45Å; F71-Y127 AromaticContact CG-CG 3.76Å; F71-Y127 HydrophobicContact CG-CG 3.76Å; F71-Y277 HydrophobicContact CD2-CE2 4.24Å; F71-Y277 HydrophobicContact CE2-CD2 4.07Å; F71-Y277 AromaticContact CE2-CE2 3.57Å; F71-Y277 HydrophobicContact CE2-CE2 3.57Å; F71-Y277 AromaticContact CZ-CD2 3.88Å; F71-Y277 HydrophobicContact CZ-CD2 3.88Å; F71-Y277 AromaticContact CZ-CE2 3.87Å; F71-Y277 HydrophobicContact CZ-CE2 3.87Å
72P98.1Very high96.8Very high34 Ų3434.7 Ų34.722%0.22117%0.173CC..THydrogen-bonded Turntrans-56.4-29.9-170.2-29.136.5000115.6K152 Y277P72-K152 VanDerWaalsContact O-CE 3.24Å; P72-K152 WeakPolarHBondContact O-CE 3.27Å; P72-K152 PolarHBondContact O-NZ 3.21Å; P72-Y277 HydrophobicContact CG-CD2 4.03Å; P72-Y277 HydrophobicContact CG-CE2 3.62Å
73F98.7Very high96.8Very high0 Ų036.1 Ų36.10%018%0.181CC..THydrogen-bonded Turntrans-105.611.3-176-44.5-47.8000113.7F71 Q120 L123 Y150 V151 K152 I153 I276 K279F71-F73 HydrophobicContact CD1-CB 4.47Å; F71-F73 HydrophobicContact CD1-CD2 4.23Å; F71-F73 AromaticContact CE1-CD2 3.69Å; F71-F73 HydrophobicContact CE1-CD2 3.69Å; F71-F73 HydrophobicContact CE1-CE2 4.19Å; F71-F73 PolarHBondContact O-N 2.91Å; F73-Q120 HydrophobicContact CB-CB 4.5Å; F73-Q120 HydrophobicContact CD1-CB 4.25Å; F73-Q120 HydrophobicContact CD1-CG 4.14Å; F73-Q120 HydrophobicContact CD2-CB 3.74Å; F73-Q120 HydrophobicContact CD2-CG 4.17Å; F73-Q120 WeakPolarHBondContact CD2-O 3.44Å; F73-Q120 HydrophobicContact CE1-CB 4.49Å; F73-Q120 HydrophobicContact CE1-CG 3.97Å; F73-Q120 HydrophobicContact CE2-CB 4Å; F73-Q120 HydrophobicContact CE2-CG 3.98Å; F73-Q120 HydrophobicContact CG-CB 3.9Å; F73-Q120 HydrophobicContact CG-CG 4.26Å; F73-Q120 HydrophobicContact CZ-CB 4.37Å; F73-Q120 HydrophobicContact CZ-CG 3.88Å; F73-L123 HydrophobicContact CD2-CB 4.31Å; F73-L123 HydrophobicContact CE2-CB 4.07Å; F73-L123 HydrophobicContact CE2-CD1 3.81Å; F73-Y150 HydrophobicContact CD1-CD1 4.3Å; F73-Y150 AromaticContact CE1-CD1 3.6Å; F73-Y150 HydrophobicContact CE1-CD1 3.6Å; F73-Y150 HydrophobicContact CE1-CE1 4.2Å; F73-Y150 HydrophobicContact CZ-CD1 4.4Å; F73-V151 VanDerWaalsContact CA-O 3.31Å; F73-V151 WeakPolarHBondContact CA-O 3.41Å; F73-V151 WeakPolarHBondContact CB-O 3.47Å; F73-K152 WeakPolarHBondContact O-CA 3.15Å; F73-I153 PolarHBondContact O-N 3.35Å; F73-I276 HydrophobicContact CE2-CG2 4.25Å; F73-I276 HydrophobicContact CZ-CG2 3.96Å; F73-I276 WeakPolarHBondContact CZ-O 3.29Å; F73-K279 HydrophobicContact CE1-CG 4.21Å
74L98.7Very high96.8Very high0 Ų038.3 Ų38.30%019%0.193CC..BIsolated β-bridgetrans-106146.7171.4-57.2-177.2000109.2V69 F71 A124 Y127 L128 K152 I153 F156V69-L74 HydrophobicContact CB-CD1 4.16Å; V69-L74 HydrophobicContact CG2-CD1 4.22Å; F71-L74 HydrophobicContact CB-CB 4.4Å; F71-L74 HydrophobicContact CB-CD1 3.79Å; F71-L74 HydrophobicContact CB-CG 3.88Å; F71-L74 HydrophobicContact CD1-CG 4.45Å; F71-L74 PolarHBondContact O-N 2.82Å; L74-A124 HydrophobicContact CD2-CB 4.04Å; L74-Y127 HydrophobicContact CD1-CD1 3.94Å; L74-Y127 HydrophobicContact CD1-CE1 3.93Å; L74-L128 HydrophobicContact CD1-CD2 3.78Å; L74-L128 HydrophobicContact CD1-CG 4.18Å; L74-L128 HydrophobicContact CD2-CD1 4.36Å; L74-K152 WeakPolarHBondContact O-CD 3.47Å; L74-K152 PolarHBondContact O-NZ 3.21Å; L74-I153 HydrophobicContact CD2-CB 3.79Å; L74-I153 HydrophobicContact CD2-CD1 3.72Å; L74-I153 HydrophobicContact CD2-CG1 4.27Å; L74-I153 HydrophobicContact CD2-CG2 4.33Å; L74-F156 HydrophobicContact CD1-CZ 4.2Å; L74-F156 HydrophobicContact CD2-CZ 3.9Å; L74-F156 HydrophobicContact CG-CZ 4.41Å
75V97.7Very high96.9Very high3 Ų333.1 Ų33.12%0.01818%0.176CC..PPolyproline II helixtrans-65.9132169.877.50000109.5L66 L91 E92 I153L66-V75 HydrophobicContact CD2-CG1 4.11Å; V75-L91 HydrophobicContact CG1-CD1 4.39Å; V75-L91 HydrophobicContact CG2-CB 4Å; V75-E92 VanDerWaalsContact CA-OE1 3.29Å; V75-E92 WeakPolarHBondContact CA-OE1 3.37Å; V75-E92 HydrophobicContact CG2-CG 3.59Å; V75-I153 WeakPolarHBondContact CB-O 3.47Å; V75-I153 WeakPolarHBondContact CG1-O 3.35Å; V75-I153 PolarHBondContact N-O 2.97Å
76N96.2Very high96.9Very high40 Ų4033.1 Ų33.121%0.21418%0.175CC..PPolyproline II helixtrans-87.7134.8176.4-66.2-63.8000110.7M78 L91 E92N76-M78 HydrophobicContact CB-SD 4.21Å; N76-L91 CarbonylContact O-C 3.5Å; N76-L91 WeakPolarHBondContact O-CA 3.47Å; N76-E92 HydrophobicContact CB-CG 4.46Å; N76-E92 PolarHBondContact N-OE1 2.93Å; N76-E92 PolarHBondContact ND2-OE1 2.74Å; N76-E92 VanDerWaalsContact ND2-OE1 3.09Å; N76-E92 PolarHBondContact O-N 3.48Å
77M96.8Very high97Very high28 Ų2832.9 Ų32.914%0.13817%0.174CC..EExtended strand (participates in β ladder)trans-91.5124.6166.6-172.5168.671.800110.2K63 L66 Q67 A80 M89 L91K63-M77 HydrophobicContact CG-CE 4.23Å; L66-M77 HydrophobicContact CB-CB 3.97Å; L66-M77 HydrophobicContact CB-CE 4.05Å; L66-M77 HydrophobicContact CB-SD 4.14Å; L66-M77 HydrophobicContact CD1-SD 4.39Å; Q67-M77 HydrophobicContact CB-CE 4.21Å; Q67-M77 HydrophobicContact CG-CE 3.06Å; M77-A80 HydrophobicContact CE-CB 4.09Å; M77-A80 HydrophobicContact SD-CB 4.14Å; M77-M89 HydrophobicContact SD-CB 3.8Å; M77-M89 HydrophobicContact SD-CG 3.73Å; M77-M89 HydrophobicContact SD-SD 4.24Å; M77-L91 HydrophobicContact CB-CD2 3.72Å; M77-L91 HydrophobicContact CG-CD2 3.84Å; M77-L91 HydrophobicContact SD-CD2 4.37Å
78M95.9Very high97.1Very high74 Ų7428.9 Ų28.937%0.36516%0.156SC..EExtended strand (participates in β ladder)trans-97.4-40.5-173.9-57.5-57.5-61.200111.5Y40 N76 V90Y40-M78 HydrophobicContact CD1-CB 4.47Å; Y40-M78 HydrophobicContact CD1-CG 4.06Å; Y40-M78 HydrophobicContact CE1-CB 4.11Å; Y40-M78 HydrophobicContact CE1-CG 3.67Å; N76-M78 HydrophobicContact CB-SD 4.21Å; M78-V90 PolarHBondContact N-O 2.91Å
79F96.4Very high97.3Very high41 Ų4125.8 Ų25.818%0.1813%0.134CC..EExtended strand (participates in β ladder)trans-141.1152.2179.2-46.1-85.3000110.7T8 A9 F14 Y40 V90T8-F79 VanDerWaalsContact OG1-CA 3.23Å; T8-F79 WeakPolarHBondContact OG1-CA 3.45Å; T8-F79 WeakPolarHBondContact OG1-CB 3.46Å; A9-F79 HydrophobicContact CB-CB 4.03Å; A9-F79 HydrophobicContact CB-CD1 3.93Å; A9-F79 HydrophobicContact CB-CG 4.05Å; F14-F79 HydrophobicContact CE1-CD2 4.36Å; F14-F79 HydrophobicContact CE1-CE2 4.43Å; F14-F79 AromaticContact CZ-CD2 3.87Å; F14-F79 HydrophobicContact CZ-CD2 3.87Å; F14-F79 HydrophobicContact CZ-CE2 4.22Å; F14-F79 HydrophobicContact CZ-CG 4.34Å; Y40-F79 HydrophobicContact CE1-CE2 4.49Å; Y40-F79 AromaticContact CE2-CE2 4Å; Y40-F79 HydrophobicContact CE2-CE2 4Å; Y40-F79 AromaticContact CZ-CE2 3.91Å; F79-V90 HydrophobicContact CB-CB 3.88Å; F79-V90 HydrophobicContact CB-CG2 3.98Å; F79-V90 HydrophobicContact CD2-CB 3.9Å; F79-V90 HydrophobicContact CD2-CG1 3.81Å; F79-V90 HydrophobicContact CD2-CG2 4.46Å; F79-V90 HydrophobicContact CG-CB 4.4Å; F79-V90 PolarHBondContact N-O 2.96Å; F79-V90 PolarHBondContact O-N 3.47Å
80A96.7Very high97.3Very high3 Ų325.2 Ų25.23%0.02513%0.131CC..EExtended strand (participates in β ladder)trans-142.2140166.500000109.6T8 K63 M77 Y88 F321T8-A80 PolarHBondContact N-O 3.08Å; T8-A80 PolarHBondContact OG1-N 2.82Å; K63-A80 HydrophobicContact CG-CB 4.32Å; M77-A80 HydrophobicContact CE-CB 4.09Å; M77-A80 HydrophobicContact SD-CB 4.14Å; A80-Y88 VanDerWaalsContact CA-O 3.28Å; A80-Y88 WeakPolarHBondContact CA-O 3.44Å; A80-F321 HydrophobicContact CB-CE1 4.43Å
81F96.9Very high97.4Very high7 Ų719.8 Ų19.83%0.03110%0.101CC..EExtended strand (participates in β ladder)trans-159.9174178.757.2-88.9000110.4A9 L11 F14 M42 Y88 V90 F321A9-F81 HydrophobicContact CB-CD1 3.96Å; A9-F81 HydrophobicContact CB-CE1 4.08Å; A9-F81 WeakPolarHBondContact O-CB 3.19Å; A9-F81 WeakPolarHBondContact O-CD1 3.47Å; A9-F81 VanDerWaalsContact O-CG 3.24Å; A9-F81 WeakPolarHBondContact O-CG 3.5Å; L11-F81 HydrophobicContact CB-CE2 4.02Å; L11-F81 HydrophobicContact CB-CZ 4.49Å; L11-F81 VanDerWaalsContact N-CE2 3.28Å; F14-F81 HydrophobicContact CD2-CE1 4.49Å; F14-F81 HydrophobicContact CD2-CZ 4.37Å; F14-F81 AromaticContact CE2-CE1 3.87Å; F14-F81 HydrophobicContact CE2-CE1 3.87Å; F14-F81 HydrophobicContact CE2-CZ 4.19Å; M42-F81 HydrophobicContact CE-CZ 4.1Å; F81-Y88 AromaticContact CD2-CD2 3.36Å; F81-Y88 HydrophobicContact CD2-CD2 3.36Å; F81-Y88 HydrophobicContact CD2-CE2 4.13Å; F81-Y88 AromaticContact CD2-CG 3.7Å; F81-Y88 HydrophobicContact CD2-CG 3.7Å; F81-Y88 HydrophobicContact CE1-CG 4.44Å; F81-Y88 VanDerWaalsContact CE2-CB 3.49Å; F81-Y88 AromaticContact CE2-CD1 3.84Å; F81-Y88 HydrophobicContact CE2-CD1 3.84Å; F81-Y88 AromaticContact CE2-CD2 3.25Å; F81-Y88 HydrophobicContact CE2-CD2 3.25Å; F81-Y88 HydrophobicContact CE2-CE1 4.37Å; F81-Y88 AromaticContact CE2-CE2 3.87Å; F81-Y88 HydrophobicContact CE2-CE2 3.87Å; F81-Y88 AromaticContact CE2-CG 3.23Å; F81-Y88 HydrophobicContact CE2-CG 3.23Å; F81-Y88 HydrophobicContact CG-CD2 4.33Å; F81-Y88 HydrophobicContact CG-CG 4.46Å; F81-Y88 HydrophobicContact CZ-CD1 4.06Å; F81-Y88 HydrophobicContact CZ-CD2 4.16Å; F81-Y88 AromaticContact CZ-CG 3.67Å; F81-Y88 HydrophobicContact CZ-CG 3.67Å; F81-Y88 PolarHBondContact N-O 2.91Å; F81-Y88 VanDerWaalsContact N-O 3.11Å; F81-Y88 WeakPolarHBondContact O-CB 3.37Å; F81-Y88 PolarHBondContact O-N 3.47Å; F81-V90 HydrophobicContact CE1-CG2 3.74Å; F81-V90 HydrophobicContact CZ-CG2 4.48Å; F81-F321 WeakPolarHBondContact O-CE1 3.38Å
82K97.1Very high97.3Very high49 Ų4921 Ų2121%0.21311%0.108CC..EExtended strand (participates in β ladder)trans-141.5157.4177.364.3-161.4172.8-152.70110.1N86 L87 F318 A319 F321K82-N86 WeakPolarHBondContact CA-O 3.32Å; K82-L87 HydrophobicContact CB-CD2 3.76Å; K82-L87 HydrophobicContact CD-CD2 4.47Å; K82-F318 PolarHBondContact NZ-O 2.89Å; K82-A319 PolarHBondContact NZ-O 3.11Å; K82-F321 HydrophobicContact CB-CD1 4.37Å; K82-F321 HydrophobicContact CD-CB 4.17Å; K82-F321 HydrophobicContact CD-CD1 4.44Å; K82-F321 PolarHBondContact NZ-O 3.32Å
83D96.7Very high97.3Very high33 Ų3320.7 Ų20.718%0.17610%0.103CC..  trans-127.3-164.2168.871.611.7000109.8K47 S85 N86 Y88 I308K47-D83 WeakPolarHBondContact CE-O 3.45Å; K47-D83 PolarHBondContact NZ-O 2.79Å; D83-S85 PolarHBondContact O-N 3.5Å; D83-S85 PolarHBondContact OD1-N 3.15Å; D83-N86 PolarHBondContact N-O 2.89Å; D83-N86 PolarHBondContact OD1-N 3.17Å; D83-Y88 HydrophobicContact CB-CE2 4.17Å; D83-Y88 PolarHBondContact OD2-OH 2.75Å; D83-I308 HydrophobicContact CB-CG2 4.35Å; D83-I308 WeakPolarHBondContact OD2-CD1 3.35Å; D83-I308 VanDerWaalsContact OD2-CG1 3.25Å; D83-I308 WeakPolarHBondContact OD2-CG1 3.23Å; D83-I308 WeakPolarHBondContact OD2-CG2 3.49Å
84N97.7Very high97.2Very high56 Ų5621 Ų2130%0.29911%0.105SC..SBendtrans-63.1-21.3-179.3-74.1-14000114.7I308 S309 K313N84-I308 HydrophobicContact CB-CG2 4.28Å; N84-S309 WeakPolarHBondContact CB-O 3.26Å; N84-S309 PolarHBondContact ND2-O 2.91Å; N84-K313 WeakPolarHBondContact O-CB 3.36Å; N84-K313 WeakPolarHBondContact O-CG 3.49Å; N84-K313 PolarHBondContact O-N 3.07Å
85S97.7Very high97Very high11 Ų1121.8 Ų21.88%0.07711%0.109CC..SBendtrans-120.6-30.8-172.2-80.60000113.8K47 D83 S309K47-S85 WeakPolarHBondContact CB-O 3.29Å; K47-S85 WeakPolarHBondContact CG-O 3.45Å; K47-S85 PolarHBondContact N-O 3.34Å; D83-S85 PolarHBondContact O-N 3.5Å; D83-S85 PolarHBondContact OD1-N 3.15Å; S85-S309 WeakPolarHBondContact OG-CB 3.48Å; S85-S309 PolarHBondContact OG-N 3.2Å
86N97.8Very high97Very high9 Ų921.6 Ų21.65%0.04811%0.108CC..EExtended strand (participates in β ladder)trans-133.1157.9-162.3-53.4-68.2000112.2I44 L45 K82 D83 Y88 H307I44-N86 HydrophobicContact CG2-CB 4.02Å; L45-N86 CarbonylContact O-C 3.59Å; L45-N86 WeakPolarHBondContact O-CA 3.28Å; K82-N86 WeakPolarHBondContact CA-O 3.32Å; D83-N86 PolarHBondContact N-O 2.89Å; D83-N86 PolarHBondContact OD1-N 3.17Å; N86-Y88 HydrophobicContact CB-CD2 4.43Å; N86-Y88 HydrophobicContact CB-CE1 4.22Å; N86-Y88 HydrophobicContact CB-CE2 3.62Å; N86-Y88 VanDerWaalsContact CB-CZ 3.5Å; N86-Y88 WeakPolarHBondContact CB-OH 3.23Å; N86-Y88 PolarHBondContact ND2-OH 3.29Å; N86-H307 PolarHBondContact ND2-O 3.29Å
87L97.5Very high96.9Very high0 Ų019.7 Ų19.70%010%0.098CC..EExtended strand (participates in β ladder)trans-110.9139.8168-50.3170.9000108.2I44 L45 K47 T59 K82 F318 F321I44-L87 WeakPolarHBondContact CA-O 3.24Å; L45-L87 HydrophobicContact CB-CB 4.26Å; L45-L87 PolarHBondContact N-O 3.06Å; L45-L87 PolarHBondContact O-N 2.92Å; K47-L87 HydrophobicContact CD-CD2 4.25Å; K47-L87 HydrophobicContact CG-CD1 4.49Å; K47-L87 HydrophobicContact CG-CD2 3.89Å; K47-L87 HydrophobicContact CG-CG 3.86Å; T59-L87 HydrophobicContact CG2-CD1 3.6Å; K82-L87 HydrophobicContact CB-CD2 3.76Å; K82-L87 HydrophobicContact CD-CD2 4.47Å; L87-F318 HydrophobicContact CD1-CD1 3.52Å; L87-F318 HydrophobicContact CD1-CD2 4.44Å; L87-F318 HydrophobicContact CD1-CE1 3.52Å; L87-F318 HydrophobicContact CD1-CE2 4.44Å; L87-F318 HydrophobicContact CD1-CG 4.01Å; L87-F318 HydrophobicContact CD1-CZ 4Å; L87-F318 HydrophobicContact CD2-CB 3.98Å; L87-F318 HydrophobicContact CD2-CD1 4.21Å; L87-F318 HydrophobicContact CD2-CD2 4.45Å; L87-F318 HydrophobicContact CD2-CG 3.95Å; L87-F318 HydrophobicContact CG-CD1 4.46Å; L87-F321 HydrophobicContact CB-CD1 4.44Å; L87-F321 HydrophobicContact CB-CD2 4.29Å; L87-F321 HydrophobicContact CB-CE1 4Å; L87-F321 HydrophobicContact CB-CE2 3.85Å; L87-F321 HydrophobicContact CB-CZ 3.69Å; L87-F321 HydrophobicContact CD1-CD2 3.79Å; L87-F321 HydrophobicContact CD1-CE2 3.89Å; L87-F321 HydrophobicContact CD1-CG 4.41Å; L87-F321 HydrophobicContact CD2-CB 4.15Å; L87-F321 HydrophobicContact CD2-CD1 3.95Å; L87-F321 HydrophobicContact CD2-CD2 3.99Å; L87-F321 HydrophobicContact CD2-CE1 4.36Å; L87-F321 HydrophobicContact CD2-CE2 4.41Å; L87-F321 HydrophobicContact CD2-CG 3.75Å; L87-F321 HydrophobicContact CG-CD2 4.23Å; L87-F321 HydrophobicContact CG-CE2 4.26Å; L87-F321 HydrophobicContact CG-CG 4.45Å; L87-F321 HydrophobicContact CG-CZ 4.49Å
88Y97.6Very high96.9Very high0 Ų021 Ų210%010%0.103CC..EExtended strand (participates in β ladder)trans-124.6125.9-174.9-57.3-90.5000110.2L11 M42 K43 I44 A80 F81 D83 N86 L306L11-Y88 HydrophobicContact CD1-CD1 4.2Å; L11-Y88 HydrophobicContact CD1-CE1 3.66Å; L11-Y88 HydrophobicContact CD2-CE1 4.49Å; M42-Y88 HydrophobicContact CG-CD1 4.19Å; M42-Y88 HydrophobicContact SD-CD1 3.7Å; M42-Y88 HydrophobicContact SD-CE1 4.25Å; K43-Y88 WeakPolarHBondContact O-CA 3.28Å; I44-Y88 HydrophobicContact CB-CD1 4.45Å; I44-Y88 HydrophobicContact CB-CE1 4.41Å; I44-Y88 HydrophobicContact CD1-CE1 4.36Å; I44-Y88 HydrophobicContact CG1-CD1 3.97Å; I44-Y88 HydrophobicContact CG1-CE1 4.05Å; I44-Y88 HydrophobicContact CG2-CD1 4.15Å; I44-Y88 HydrophobicContact CG2-CE1 3.72Å; A80-Y88 VanDerWaalsContact CA-O 3.28Å; A80-Y88 WeakPolarHBondContact CA-O 3.44Å; F81-Y88 AromaticContact CD2-CD2 3.36Å; F81-Y88 HydrophobicContact CD2-CD2 3.36Å; F81-Y88 HydrophobicContact CD2-CE2 4.13Å; F81-Y88 AromaticContact CD2-CG 3.7Å; F81-Y88 HydrophobicContact CD2-CG 3.7Å; F81-Y88 HydrophobicContact CE1-CG 4.44Å; F81-Y88 VanDerWaalsContact CE2-CB 3.49Å; F81-Y88 AromaticContact CE2-CD1 3.84Å; F81-Y88 HydrophobicContact CE2-CD1 3.84Å; F81-Y88 AromaticContact CE2-CD2 3.25Å; F81-Y88 HydrophobicContact CE2-CD2 3.25Å; F81-Y88 HydrophobicContact CE2-CE1 4.37Å; F81-Y88 AromaticContact CE2-CE2 3.87Å; F81-Y88 HydrophobicContact CE2-CE2 3.87Å; F81-Y88 AromaticContact CE2-CG 3.23Å; F81-Y88 HydrophobicContact CE2-CG 3.23Å; F81-Y88 HydrophobicContact CG-CD2 4.33Å; F81-Y88 HydrophobicContact CG-CG 4.46Å; F81-Y88 HydrophobicContact CZ-CD1 4.06Å; F81-Y88 HydrophobicContact CZ-CD2 4.16Å; F81-Y88 AromaticContact CZ-CG 3.67Å; F81-Y88 HydrophobicContact CZ-CG 3.67Å; F81-Y88 PolarHBondContact N-O 2.91Å; F81-Y88 VanDerWaalsContact N-O 3.11Å; F81-Y88 WeakPolarHBondContact O-CB 3.37Å; F81-Y88 PolarHBondContact O-N 3.47Å; D83-Y88 HydrophobicContact CB-CE2 4.17Å; D83-Y88 PolarHBondContact OD2-OH 2.75Å; N86-Y88 HydrophobicContact CB-CD2 4.43Å; N86-Y88 HydrophobicContact CB-CE1 4.22Å; N86-Y88 HydrophobicContact CB-CE2 3.62Å; N86-Y88 VanDerWaalsContact CB-CZ 3.5Å; N86-Y88 WeakPolarHBondContact CB-OH 3.23Å; N86-Y88 PolarHBondContact ND2-OH 3.29Å; Y88-L306 HydrophobicContact CE1-CD2 4.11Å; Y88-L306 WeakPolarHBondContact OH-CD2 3.45Å
89M97.2Very high97Very high0 Ų017.5 Ų17.50%09%0.086CC..EExtended strand (participates in β ladder)trans-120.2115.5167.2-67.7177-81.300108K43 L45 E62 K63 L66 M77 L91 F321K43-M89 HydrophobicContact CB-CB 4.34Å; K43-M89 HydrophobicContact CD-CE 3.92Å; K43-M89 HydrophobicContact CG-CE 4.43Å; K43-M89 PolarHBondContact N-O 3.45Å; K43-M89 PolarHBondContact O-N 2.9Å; L45-M89 HydrophobicContact CD1-CE 3.6Å; L45-M89 HydrophobicContact CG-CE 4.41Å; E62-M89 HydrophobicContact CG-CE 4.27Å; E62-M89 HydrophobicContact CG-SD 4.05Å; K63-M89 HydrophobicContact CB-SD 4.03Å; L66-M89 HydrophobicContact CD1-SD 4.23Å; M77-M89 HydrophobicContact SD-CB 3.8Å; M77-M89 HydrophobicContact SD-CG 3.73Å; M77-M89 HydrophobicContact SD-SD 4.24Å; M89-L91 HydrophobicContact CB-CD2 4.46Å; M89-F321 HydrophobicContact CG-CZ 3.92Å
90V97.7Very high97Very high0 Ų018.3 Ų18.30%09%0.09CC..EExtended strand (participates in β ladder)trans-98.1106.9-179.1-172.30000108.2F14 Y40 M42 M78 F79 F81F14-V90 HydrophobicContact CE1-CG1 3.99Å; F14-V90 HydrophobicContact CE2-CG2 4.32Å; F14-V90 HydrophobicContact CZ-CG1 4.18Å; F14-V90 HydrophobicContact CZ-CG2 4.09Å; Y40-V90 VanDerWaalsContact CB-CG1 3.42Å; Y40-V90 HydrophobicContact CD1-CG1 4.21Å; Y40-V90 HydrophobicContact CD2-CG1 4.1Å; Y40-V90 HydrophobicContact CG-CG1 3.65Å; M42-V90 HydrophobicContact CE-CG2 3.98Å; M42-V90 HydrophobicContact CG-CG2 4.26Å; M78-V90 PolarHBondContact N-O 2.91Å; F79-V90 HydrophobicContact CB-CB 3.88Å; F79-V90 HydrophobicContact CB-CG2 3.98Å; F79-V90 HydrophobicContact CD2-CB 3.9Å; F79-V90 HydrophobicContact CD2-CG1 3.81Å; F79-V90 HydrophobicContact CD2-CG2 4.46Å; F79-V90 HydrophobicContact CG-CB 4.4Å; F79-V90 PolarHBondContact N-O 2.96Å; F79-V90 PolarHBondContact O-N 3.47Å; F81-V90 HydrophobicContact CE1-CG2 3.74Å; F81-V90 HydrophobicContact CZ-CG2 4.48Å
91L97.5Very high96.9Very high8 Ų820.3 Ų20.34%0.04210%0.103CC..EExtended strand (participates in β ladder)trans-100157.3-176.5-51.2178.3000110.5Y40 A41 L66 V75 N76 M77 M89 F93Y40-L91 WeakPolarHBondContact CA-O 3.49Å; Y40-L91 WeakPolarHBondContact CB-O 3.37Å; A41-L91 HydrophobicContact CB-CB 4.42Å; A41-L91 PolarHBondContact N-O 3.21Å; A41-L91 WeakPolarHBondContact O-CB 3.29Å; A41-L91 PolarHBondContact O-N 3.46Å; L66-L91 HydrophobicContact CD1-CD2 4.09Å; V75-L91 HydrophobicContact CG1-CD1 4.39Å; V75-L91 HydrophobicContact CG2-CB 4Å; N76-L91 CarbonylContact O-C 3.5Å; N76-L91 WeakPolarHBondContact O-CA 3.47Å; M77-L91 HydrophobicContact CB-CD2 3.72Å; M77-L91 HydrophobicContact CG-CD2 3.84Å; M77-L91 HydrophobicContact SD-CD2 4.37Å; M89-L91 HydrophobicContact CB-CD2 4.46Å; L91-F93 PolarHBondContact O-N 3.3Å
92E96.6Very high96.9Very high46 Ų4620.2 Ų20.222%0.21510%0.103CC..EExtended strand (participates in β ladder)trans-5613816770.7-176.814000110.6V75 N76 V94 K152V75-E92 VanDerWaalsContact CA-OE1 3.29Å; V75-E92 WeakPolarHBondContact CA-OE1 3.37Å; V75-E92 HydrophobicContact CG2-CG 3.59Å; N76-E92 HydrophobicContact CB-CG 4.46Å; N76-E92 PolarHBondContact N-OE1 2.93Å; N76-E92 PolarHBondContact ND2-OE1 2.74Å; N76-E92 VanDerWaalsContact ND2-OE1 3.09Å; N76-E92 PolarHBondContact O-N 3.48Å; E92-V94 HydrophobicContact CG-CG2 4.17Å; E92-K152 WeakPolarHBondContact OE1-CE 3.29Å; E92-K152 IonicContact OE1-NZ 2.64Å; E92-K152 PolarHBondContact OE1-NZ 3.36Å; E92-K152 IonicContact OE2-NZ 3.14Å; E92-K152 PolarHBondContact OE2-NZ 3.13Å
93F97.8Very high96.9Very high27 Ų2717.9 Ų17.912%0.1189%0.093CC..PPolyproline II helixtrans-84.1121.9175.9177.4-127.1000110.4L20 L30 A41 L91 N95 P292 A295 F298L20-F93 HydrophobicContact CD1-CD2 3.78Å; L20-F93 HydrophobicContact CD1-CE2 3.58Å; L20-F93 HydrophobicContact CD2-CE2 3.98Å; L20-F93 HydrophobicContact CD2-CZ 4.49Å; L20-F93 HydrophobicContact CG-CE2 4.45Å; L30-F93 HydrophobicContact CD1-CB 4.36Å; L30-F93 HydrophobicContact CD1-CD1 3.6Å; L30-F93 HydrophobicContact CD1-CD2 3.88Å; L30-F93 HydrophobicContact CD1-CE1 3.74Å; L30-F93 HydrophobicContact CD1-CE2 4.03Å; L30-F93 HydrophobicContact CD1-CG 3.67Å; L30-F93 HydrophobicContact CD1-CZ 3.96Å; L30-F93 HydrophobicContact CD2-CZ 4.49Å; A41-F93 HydrophobicContact CB-CD2 4.45Å; L91-F93 PolarHBondContact O-N 3.3Å; F93-N95 HydrophobicContact CD1-CB 4.14Å; F93-N95 HydrophobicContact CE1-CB 3.52Å; F93-N95 HydrophobicContact CZ-CB 3.83Å; F93-P292 VanDerWaalsContact CD1-O 3.3Å; F93-P292 WeakPolarHBondContact CD1-O 3.38Å; F93-P292 WeakPolarHBondContact CE1-O 3.27Å; F93-A295 HydrophobicContact CZ-CB 4.41Å; F93-F298 HydrophobicContact CE2-CD2 4.37Å; F93-F298 AromaticContact CE2-CE2 3.61Å; F93-F298 HydrophobicContact CE2-CE2 3.61Å; F93-F298 AromaticContact CE2-CZ 3.96Å; F93-F298 HydrophobicContact CE2-CZ 3.96Å; F93-F298 HydrophobicContact CZ-CD2 4.49Å; F93-F298 AromaticContact CZ-CE2 3.91Å; F93-F298 HydrophobicContact CZ-CE2 3.91Å
94V97.4Very high96.9Very high7 Ų721.8 Ų21.84%0.04211%0.105CC..  trans-107.8101179.4-173.10000108.5E92 G96 L144 I145 D146 K152 F298E92-V94 HydrophobicContact CG-CG2 4.17Å; V94-G96 PolarHBondContact O-N 3.5Å; V94-L144 HydrophobicContact CB-CB 3.89Å; V94-L144 HydrophobicContact CB-CD1 3.86Å; V94-L144 HydrophobicContact CG1-CB 3.62Å; V94-L144 HydrophobicContact CG2-CD1 4.24Å; V94-I145 VanDerWaalsContact CG1-O 3.31Å; V94-I145 WeakPolarHBondContact CG1-O 3.34Å; V94-D146 HydrophobicContact CG1-CB 3.93Å; V94-K152 HydrophobicContact CG1-CB 4.19Å; V94-K152 HydrophobicContact CG1-CG 4.2Å; V94-K152 HydrophobicContact CG2-CB 3.87Å; V94-K152 HydrophobicContact CG2-CG 3.87Å; V94-F298 VanDerWaalsContact O-CZ 3.29Å; V94-F298 WeakPolarHBondContact O-CZ 3.49Å
95N95.2Very high96.8Very high15 Ų1527 Ų278%0.0812%0.121CC..THydrogen-bonded Turntrans-82.6-7.2-16364.9-6000115.9F93 G97 C289 N297F93-N95 HydrophobicContact CD1-CB 4.14Å; F93-N95 HydrophobicContact CE1-CB 3.52Å; F93-N95 HydrophobicContact CZ-CB 3.83Å; N95-G97 VanDerWaalsContact C-N 3.26Å; N95-G97 PolarHBondContact O-N 2.89Å; N95-C289 WeakPolarHBondContact ND2-CB 3.49Å; N95-C289 PolarHBondContact OD1-SG 3.42Å; N95-C289 VanDerWaalsContact OD1-SG 3.4Å; N95-N297 PolarHBondContact O-ND2 2.91Å
96G96.4Very high96.8Very high0 Ų030.7 Ų30.70%014%0.139CC..THydrogen-bonded Turntrans-80.8-2.3-179.500000114.6V94 H102 I145 A287V94-G96 PolarHBondContact O-N 3.5Å; G96-H102 PolarHBondContact O-NE2 2.85Å; G96-I145 CarbonylContact C-O 3.55Å; G96-I145 WeakPolarHBondContact CA-O 3.32Å; G96-I145 PolarHBondContact N-O 3.36Å; G96-A287 VanDerWaalsContact CA-CB 3.42Å
97G95.3Very high96.8Very high0 Ų032.1 Ų32.10%016%0.155CC..  trans74.5-172.3177.200000113.7N95 L144 I145N95-G97 VanDerWaalsContact C-N 3.26Å; N95-G97 PolarHBondContact O-N 2.89Å; G97-L144 CarbonylContact O-C 3.58Å; G97-L144 WeakPolarHBondContact O-CA 3.36Å; G97-I145 PolarHBondContact O-N 3.25Å
98E96.1Very high96.8Very high54 Ų5437.9 Ų37.925%0.25218%0.177SC..BIsolated β-bridgetrans-77.5140.6-174-60.4175.6-170.200112.6F100 S101 H102 L144E98-F100 HydrophobicContact CB-CB 4.23Å; E98-F100 PolarHBondContact O-N 3.01Å; E98-S101 PolarHBondContact O-N 3.31Å; E98-H102 PolarHBondContact O-CD2 2.82Å; E98-H102 PolarHBondContact O-N 2.64Å; E98-L144 HydrophobicContact CG-CD2 3.88Å
99M97.9Very high96.9Very high1 Ų138.1 Ų38.11%0.00518%0.178CC..Hα-helixtrans-56.1-34.6169.4-179.5-179.7-67.100111S101 H102 L103 F109 Y117 P140 L143 I145 V151 M202M99-S101 PolarHBondContact O-N 3.06Å; M99-H102 PolarHBondContact O-N 3Å; M99-L103 VanDerWaalsContact O-CB 3.3Å; M99-L103 WeakPolarHBondContact O-CB 3.5Å; M99-L103 PolarHBondContact O-N 3.03Å; M99-F109 HydrophobicContact CG-CE2 3.99Å; M99-F109 HydrophobicContact CG-CZ 4.27Å; M99-F109 HydrophobicContact SD-CE2 4.23Å; M99-Y117 HydrophobicContact CE-CD1 4.02Å; M99-Y117 HydrophobicContact CE-CD2 3.48Å; M99-Y117 VanDerWaalsContact CE-CD2 3.48Å; M99-Y117 HydrophobicContact CE-CE1 4.43Å; M99-Y117 HydrophobicContact CE-CE2 3.91Å; M99-Y117 HydrophobicContact CE-CG 3.52Å; M99-Y117 HydrophobicContact SD-CD2 4.28Å; M99-P140 HydrophobicContact CB-CB 4.45Å; M99-P140 HydrophobicContact CG-CB 4.47Å; M99-P140 PolarHBondContact N-O 3.1Å; M99-L143 HydrophobicContact CB-CB 3.98Å; M99-L143 WeakPolarHBondContact CB-O 3.31Å; M99-L143 HydrophobicContact CE-CB 4.19Å; M99-L143 HydrophobicContact CE-CD1 3.9Å; M99-L143 PolarHBondContact N-O 3.32Å; M99-L143 HydrophobicContact SD-CB 4.46Å; M99-L143 HydrophobicContact SD-CD1 3.85Å; M99-I145 HydrophobicContact CB-CD1 4.3Å; M99-I145 HydrophobicContact CE-CD1 4.05Å; M99-V151 HydrophobicContact CE-CG2 3.54Å; M99-M202 HydrophobicContact CE-SD 4.42Å; M99-M202 HydrophobicContact SD-CG 4.27Å; M99-M202 HydrophobicContact SD-SD 3.76Å
100F96.5Very high96.9Very high59 Ų5941.5 Ų41.526%0.25920%0.202SC..Hα-helixtrans-51.2-55.1175.2-176.4-94.9000112.2E98 H102 L103 R104 P140 E141E98-F100 HydrophobicContact CB-CB 4.23Å; E98-F100 PolarHBondContact O-N 3.01Å; F100-H102 VanDerWaalsContact C-N 3.31Å; F100-H102 PolarHBondContact O-N 3.37Å; F100-L103 PolarHBondContact O-N 2.84Å; F100-R104 HydrophobicContact CD1-CG 4.11Å; F100-R104 HydrophobicContact CD2-CG 4.47Å; F100-R104 HydrophobicContact CE1-CG 3.78Å; F100-R104 HydrophobicContact CE2-CG 4.18Å; F100-R104 HydrophobicContact CG-CG 4.44Å; F100-R104 HydrophobicContact CZ-CG 3.82Å; F100-R104 WeakPolarHBondContact O-CG 3.5Å; F100-R104 PolarHBondContact O-N 3.15Å; F100-P140 HydrophobicContact CB-CB 3.84Å; F100-P140 HydrophobicContact CD2-CB 4.22Å; F100-P140 PolarHBondContact N-O 3.45Å; F100-E141 HydrophobicContact CB-CG 3.99Å; F100-E141 HydrophobicContact CD2-CG 3.97Å; F100-E141 HydrophobicContact CG-CG 3.96Å
101S94.9Very high97Very high44 Ų4442.7 Ų42.731%0.30821%0.207SC..Hα-helixtrans-61.9-38.6-178.8-58.60000112.2E98 M99 R105E98-S101 PolarHBondContact O-N 3.31Å; M99-S101 PolarHBondContact O-N 3.06Å; S101-R105 VanDerWaalsContact O-CB 3.27Å; S101-R105 WeakPolarHBondContact O-CB 3.5Å; S101-R105 PolarHBondContact O-N 3.2Å; S101-R105 VanDerWaalsContact O-N 3.15Å
102H96.1Very high97Very high6 Ų646.2 Ų46.23%0.02823%0.231CC..Hα-helixtrans-65.5-47174-69.2-70.4000112.3G96 E98 M99 F100 R105 I106 F109 L285G96-H102 PolarHBondContact O-NE2 2.85Å; E98-H102 PolarHBondContact O-CD2 2.82Å; E98-H102 PolarHBondContact O-N 2.64Å; M99-H102 PolarHBondContact O-N 3Å; F100-H102 VanDerWaalsContact C-N 3.31Å; F100-H102 PolarHBondContact O-N 3.37Å; H102-R105 PolarHBondContact CE1-NH2 2.88Å; H102-R105 PolarHBondContact ND1-NH2 3.44Å; H102-R105 PolarHBondContact O-N 2.71Å; H102-I106 WeakPolarHBondContact O-CB 3.34Å; H102-I106 WeakPolarHBondContact O-CG1 3.34Å; H102-I106 PolarHBondContact O-N 3.09Å; H102-F109 HydrophobicContact CB-CZ 4.45Å; H102-L285 HydrophobicContact CB-CD1 3.98Å
103L97.8Very high97.1Very high0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-62.7-47-178.9179.460000111.1M99 F100 R105 I106 G107 F109 E201M99-L103 VanDerWaalsContact O-CB 3.3Å; M99-L103 WeakPolarHBondContact O-CB 3.5Å; M99-L103 PolarHBondContact O-N 3.03Å; F100-L103 PolarHBondContact O-N 2.84Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-R105 PolarHBondContact O-N 3.03Å; L103-I106 PolarHBondContact O-N 3.35Å; L103-G107 CarbonylContact O-C 3.45Å; L103-G107 WeakPolarHBondContact O-CA 3.43Å; L103-G107 PolarHBondContact O-N 2.91Å; L103-F109 HydrophobicContact CB-CE1 4.37Å; L103-F109 HydrophobicContact CB-CE2 4.32Å; L103-F109 HydrophobicContact CB-CZ 3.89Å; L103-F109 HydrophobicContact CD1-CD1 4.13Å; L103-F109 HydrophobicContact CD1-CD2 4.1Å; L103-F109 HydrophobicContact CD1-CE1 4.09Å; L103-F109 HydrophobicContact CD1-CE2 4.06Å; L103-F109 HydrophobicContact CD1-CG 4.11Å; L103-F109 HydrophobicContact CD1-CZ 4.06Å; L103-E201 HydrophobicContact CD2-CG 3.98Å
104R97.1Very high97.1Very high114 Ų11443.6 Ų43.643%0.4322%0.219SC..Hα-helixtrans-62.5-40.4178.4-67.6-65.3174.8-146.8-9.6112.4F100 E201 G205F100-R104 HydrophobicContact CD1-CG 4.11Å; F100-R104 HydrophobicContact CD2-CG 4.47Å; F100-R104 HydrophobicContact CE1-CG 3.78Å; F100-R104 HydrophobicContact CE2-CG 4.18Å; F100-R104 HydrophobicContact CG-CG 4.44Å; F100-R104 HydrophobicContact CZ-CG 3.82Å; F100-R104 WeakPolarHBondContact O-CG 3.5Å; F100-R104 PolarHBondContact O-N 3.15Å; R104-E201 IonicContact CZ-OE1 3.7Å; R104-E201 IonicContact NH2-OE1 2.73Å; R104-E201 PolarHBondContact NH2-OE1 3.49Å; R104-G205 PolarHBondContact NH1-O 3.38Å
105R95.8Very high97.2Very high167 Ų16745.2 Ų45.263%0.6322%0.224SC*.Hα-helixtrans-67.2-39.7177.4176.6172.452.1-175.1-8.5113S101 H102 L103S101-R105 VanDerWaalsContact O-CB 3.27Å; S101-R105 WeakPolarHBondContact O-CB 3.5Å; S101-R105 PolarHBondContact O-N 3.2Å; S101-R105 VanDerWaalsContact O-N 3.15Å; H102-R105 PolarHBondContact CE1-NH2 2.88Å; H102-R105 PolarHBondContact ND1-NH2 3.44Å; H102-R105 PolarHBondContact O-N 2.71Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-R105 PolarHBondContact O-N 3.03Å
106I96.6Very high97.4Very high88 Ų8845.2 Ų45.245%0.45122%0.223SC..Hα-helixtrans-81.8-23.7-179.2-67.1166.6000111.2H102 L103 R108 F109 L285H102-I106 WeakPolarHBondContact O-CB 3.34Å; H102-I106 WeakPolarHBondContact O-CG1 3.34Å; H102-I106 PolarHBondContact O-N 3.09Å; L103-I106 PolarHBondContact O-N 3.35Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 WeakPolarHBondContact CG2-O 3.4Å; I106-R108 PolarHBondContact O-N 2.89Å; I106-F109 HydrophobicContact CB-CE1 4.48Å; I106-F109 HydrophobicContact CD1-CD1 4.49Å; I106-F109 HydrophobicContact CD1-CE1 3.92Å; I106-F109 HydrophobicContact CG2-CD1 4.42Å; I106-L285 HydrophobicContact CD1-CD1 3.53Å
107G98.2Very high97.5Very high39 Ų3945.2 Ų45.240%0.40222%0.224SC..SBendtrans92.6-56.7-176.100000111.6L103 G205L103-G107 CarbonylContact O-C 3.45Å; L103-G107 WeakPolarHBondContact O-CA 3.43Å; L103-G107 PolarHBondContact O-N 2.91Å; G107-G205 WeakPolarHBondContact O-CA 3.34Å
108R98Very high97.7Very high120 Ų12045.2 Ų45.245%0.45322%0.224SC..SBendtrans-156.3154173.571.4-173.4-172.6-172.28111.2I106 D203 H231I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 WeakPolarHBondContact CG2-O 3.4Å; I106-R108 PolarHBondContact O-N 2.89Å; R108-D203 WeakPolarHBondContact CD-O 3.31Å; R108-H231 PolarHBondContact NH1-CE1 3.11Å; R108-H231 PolarHBondContact NH1-ND1 3.33Å; R108-H231 PolarHBondContact NH1-NE2 3.14Å; R108-H231 VanDerWaalsContact NH1-NE2 3.11Å
109F98.4Very high97.8Very high5 Ų542.7 Ų42.72%0.02221%0.212CC..  trans-82.8154.9170.6-60.6-27.1000111.5M99 H102 L103 I106 H113 Y117 M202M99-F109 HydrophobicContact CG-CE2 3.99Å; M99-F109 HydrophobicContact CG-CZ 4.27Å; M99-F109 HydrophobicContact SD-CE2 4.23Å; H102-F109 HydrophobicContact CB-CZ 4.45Å; L103-F109 HydrophobicContact CB-CE1 4.37Å; L103-F109 HydrophobicContact CB-CE2 4.32Å; L103-F109 HydrophobicContact CB-CZ 3.89Å; L103-F109 HydrophobicContact CD1-CD1 4.13Å; L103-F109 HydrophobicContact CD1-CD2 4.1Å; L103-F109 HydrophobicContact CD1-CE1 4.09Å; L103-F109 HydrophobicContact CD1-CE2 4.06Å; L103-F109 HydrophobicContact CD1-CG 4.11Å; L103-F109 HydrophobicContact CD1-CZ 4.06Å; I106-F109 HydrophobicContact CB-CE1 4.48Å; I106-F109 HydrophobicContact CD1-CD1 4.49Å; I106-F109 HydrophobicContact CD1-CE1 3.92Å; I106-F109 HydrophobicContact CG2-CD1 4.42Å; F109-H113 HydrophobicContact CB-CB 4Å; F109-H113 AromaticContact CD1-CE1 3.46Å; F109-H113 VanDerWaalsContact CD1-CE1 3.46Å; F109-H113 WeakPolarHBondContact CD1-CE1 3.46Å; F109-H113 AromaticContact CD1-ND1 3.57Å; F109-H113 AromaticContact CD1-NE2 3.97Å; F109-H113 AromaticContact CE1-CE1 3.71Å; F109-H113 AromaticContact CG-CE1 3.9Å; F109-H113 AromaticContact CG-CG 3.88Å; F109-H113 AromaticContact CG-ND1 3.78Å; F109-Y117 HydrophobicContact CD2-CD2 4.05Å; F109-Y117 HydrophobicContact CD2-CE2 4.05Å; F109-Y117 AromaticContact CE2-CD2 3.86Å; F109-Y117 HydrophobicContact CE2-CD2 3.86Å; F109-Y117 AromaticContact CE2-CE2 3.61Å; F109-Y117 HydrophobicContact CE2-CE2 3.61Å; F109-Y117 HydrophobicContact CZ-CE2 4.11Å; F109-M202 HydrophobicContact CD2-CB 3.91Å; F109-M202 HydrophobicContact CD2-CG 3.89Å; F109-M202 HydrophobicContact CD2-SD 4.08Å; F109-M202 HydrophobicContact CE2-CG 4.19Å; F109-M202 HydrophobicContact CE2-SD 4.32Å; F109-M202 PolarHBondContact N-O 2.87Å
110S98.4Very high97.8Very high71 Ų7142.6 Ų42.650%0.49721%0.211SC..  trans-74.2156.9166.665.80000109.8H113 G114S110-H113 CarbonylContact O-C 3.59Å; S110-H113 WeakPolarHBondContact O-CA 3.49Å; S110-H113 WeakPolarHBondContact O-CB 3.47Å; S110-H113 PolarHBondContact O-N 3.43Å; S110-H113 WeakPolarHBondContact OG-CB 3.41Å; S110-G114 PolarHBondContact O-N 3.4Å
111E98.6Very high98Very high26 Ų2639.8 Ų39.812%0.12120%0.199CC..Hα-helixtrans-57.9-39.5-178.7-50.7-160.5-174.700114H113 G114 R115 D203 T233 L236 W267E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.9Å; E111-G114 PolarHBondContact O-N 2.76Å; E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 PolarHBondContact O-N 3.24Å; E111-D203 VanDerWaalsContact CA-OD1 3.25Å; E111-D203 WeakPolarHBondContact CA-OD1 3.15Å; E111-D203 WeakPolarHBondContact CG-OD1 3.4Å; E111-T233 VanDerWaalsContact CD-OG1 3.3Å; E111-T233 WeakPolarHBondContact OE1-CB 3.3Å; E111-T233 VanDerWaalsContact OE1-CG2 3.22Å; E111-T233 WeakPolarHBondContact OE1-CG2 3.48Å; E111-T233 PolarHBondContact OE1-N 2.88Å; E111-T233 PolarHBondContact OE1-OG1 2.93Å; E111-T233 VanDerWaalsContact OE1-OG1 3.07Å; E111-T233 WeakPolarHBondContact OE2-CG2 3.17Å; E111-T233 PolarHBondContact OE2-OG1 3.33Å; E111-L236 HydrophobicContact CG-CD2 4.11Å; E111-L236 WeakPolarHBondContact OE1-CD2 3.44Å; E111-W267 HydrophobicContact CB-CZ2 4.31Å; E111-W267 PolarHBondContact OE2-NE1 2.86Å
112P98.5Very high98.1Very high82 Ų8237.7 Ų37.753%0.53218%0.184SC..Hα-helixtrans-60.7-36.1172.7-2536000113.4F116P112-F116 PolarHBondContact O-N 2.81Å
113H98.1Very high98.3Very high18 Ų1838 Ų388%0.08319%0.186CC..Hα-helixtrans-70.5-49.9177.6-175.4170.1000110.9F109 S110 E111 R115 F116 Y117 P284F109-H113 HydrophobicContact CB-CB 4Å; F109-H113 AromaticContact CD1-CE1 3.46Å; F109-H113 VanDerWaalsContact CD1-CE1 3.46Å; F109-H113 WeakPolarHBondContact CD1-CE1 3.46Å; F109-H113 AromaticContact CD1-ND1 3.57Å; F109-H113 AromaticContact CD1-NE2 3.97Å; F109-H113 AromaticContact CE1-CE1 3.71Å; F109-H113 AromaticContact CG-CE1 3.9Å; F109-H113 AromaticContact CG-CG 3.88Å; F109-H113 AromaticContact CG-ND1 3.78Å; S110-H113 CarbonylContact O-C 3.59Å; S110-H113 WeakPolarHBondContact O-CA 3.49Å; S110-H113 WeakPolarHBondContact O-CB 3.47Å; S110-H113 PolarHBondContact O-N 3.43Å; S110-H113 WeakPolarHBondContact OG-CB 3.41Å; E111-H113 VanDerWaalsContact C-N 3.28Å; E111-H113 PolarHBondContact O-N 2.9Å; H113-R115 VanDerWaalsContact C-N 3.29Å; H113-R115 PolarHBondContact O-N 2.82Å; H113-F116 WeakPolarHBondContact O-CB 3.27Å; H113-F116 PolarHBondContact O-N 3.2Å; H113-Y117 AromaticContact CD2-CD2 3.78Å; H113-Y117 AromaticContact CD2-CE2 3.28Å; H113-Y117 WeakPolarHBondContact CD2-CE2 3.16Å; H113-Y117 AromaticContact CD2-CZ 3.84Å; H113-Y117 AromaticContact NE2-CE2 3.08Å; H113-Y117 WeakPolarHBondContact NE2-CE2 3.16Å; H113-Y117 AromaticContact NE2-CZ 3.44Å; H113-Y117 PolarHBondContact NE2-OH 3.4Å; H113-Y117 PolarHBondContact O-N 2.91Å; H113-P284 HydrophobicContact CB-CB 4.08Å; H113-P284 HydrophobicContact CB-CG 4.2Å; H113-P284 WeakPolarHBondContact CD2-CG 3.43Å
114G98.4Very high98.3Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-57.5-41.7173.700000112.1S110 E111 F116 Y117 A118 M202S110-G114 PolarHBondContact O-N 3.4Å; E111-G114 PolarHBondContact O-N 2.76Å; G114-F116 PolarHBondContact O-N 3.42Å; G114-Y117 PolarHBondContact O-N 3.4Å; G114-A118 VanDerWaalsContact O-CB 3.29Å; G114-A118 WeakPolarHBondContact O-CB 3.33Å; G114-A118 PolarHBondContact O-N 2.92Å; G114-M202 WeakPolarHBondContact O-CE 3.48Å
115R98.8Very high98.4Very high40 Ų4032.5 Ų32.515%0.15117%0.165CC..Hα-helixtrans-61.6-41.3176.6-172.8-172-55.7129.39.8113.1E111 H113 Y117 A118 A119 W267 F268 S270 T271E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 PolarHBondContact O-N 3.24Å; H113-R115 VanDerWaalsContact C-N 3.29Å; H113-R115 PolarHBondContact O-N 2.82Å; R115-Y117 VanDerWaalsContact C-N 3.32Å; R115-Y117 PolarHBondContact O-N 3.32Å; R115-A118 PolarHBondContact O-N 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.27Å; R115-A119 PolarHBondContact O-N 3.46Å; R115-W267 HydrophobicContact CB-CE3 4.37Å; R115-W267 HydrophobicContact CB-CH2 3.55Å; R115-W267 HydrophobicContact CB-CZ2 3.9Å; R115-W267 HydrophobicContact CB-CZ3 3.78Å; R115-W267 WeakPolarHBondContact CD-O 3.32Å; R115-W267 HydrophobicContact CG-CE3 4.06Å; R115-W267 HydrophobicContact CG-CH2 4.13Å; R115-W267 HydrophobicContact CG-CZ3 3.82Å; R115-W267 PolarHBondContact NE-O 2.86Å; R115-F268 HydrophobicContact CG-CD1 3.66Å; R115-F268 HydrophobicContact CG-CE1 3.81Å; R115-S270 PolarHBondContact NH1-OG 2.8Å; R115-T271 WeakPolarHBondContact CD-OG1 3.24Å
116F98.8Very high98.6Very high15 Ų1527.5 Ų27.57%0.06615%0.149CC..Hα-helixtrans-57.9-45.4177.6170.9-99.7000111.5P112 H113 G114 Q120 Y150 I276 I281 A283 P284P112-F116 PolarHBondContact O-N 2.81Å; H113-F116 WeakPolarHBondContact O-CB 3.27Å; H113-F116 PolarHBondContact O-N 3.2Å; G114-F116 PolarHBondContact O-N 3.42Å; F116-Q120 VanDerWaalsContact CD1-NE2 3.28Å; F116-Q120 VanDerWaalsContact CZ-NE2 3.31Å; F116-Q120 PolarHBondContact O-NE2 3.01Å; F116-Y150 AromaticContact CE2-CE1 3.91Å; F116-Y150 HydrophobicContact CE2-CE1 3.91Å; F116-Y150 HydrophobicContact CE2-CE2 4.36Å; F116-Y150 AromaticContact CE2-CZ 3.8Å; F116-Y150 AromaticContact CZ-CD1 3.91Å; F116-Y150 HydrophobicContact CZ-CD1 3.91Å; F116-Y150 HydrophobicContact CZ-CD2 4.05Å; F116-Y150 AromaticContact CZ-CE1 3.71Å; F116-Y150 HydrophobicContact CZ-CE1 3.71Å; F116-Y150 AromaticContact CZ-CE2 3.82Å; F116-Y150 HydrophobicContact CZ-CE2 3.82Å; F116-Y150 HydrophobicContact CZ-CG 4.09Å; F116-Y150 AromaticContact CZ-CZ 3.64Å; F116-I276 HydrophobicContact CD2-CD1 3.57Å; F116-I276 HydrophobicContact CE2-CD1 3.73Å; F116-I281 HydrophobicContact CD2-CG2 4.15Å; F116-I281 HydrophobicContact CE2-CB 4.18Å; F116-I281 HydrophobicContact CE2-CG2 4.08Å; F116-A283 HydrophobicContact CE1-CB 3.9Å; F116-A283 HydrophobicContact CZ-CB 3.81Å; F116-P284 HydrophobicContact CB-CG 4.28Å; F116-P284 HydrophobicContact CD1-CG 3.76Å; F116-P284 HydrophobicContact CE1-CG 4.39Å; F116-P284 HydrophobicContact CG-CG 4.17Å
117Y98.9Very high98.7Very high1 Ų125.6 Ų25.60%0.00414%0.136CC..Hα-helixtrans-72.4-44.5176.4-64-40000112.5M99 F109 H113 G114 R115 A119 Q120 I121 I145 G149 V151 M202M99-Y117 HydrophobicContact CE-CD1 4.02Å; M99-Y117 HydrophobicContact CE-CD2 3.48Å; M99-Y117 VanDerWaalsContact CE-CD2 3.48Å; M99-Y117 HydrophobicContact CE-CE1 4.43Å; M99-Y117 HydrophobicContact CE-CE2 3.91Å; M99-Y117 HydrophobicContact CE-CG 3.52Å; M99-Y117 HydrophobicContact SD-CD2 4.28Å; F109-Y117 HydrophobicContact CD2-CD2 4.05Å; F109-Y117 HydrophobicContact CD2-CE2 4.05Å; F109-Y117 AromaticContact CE2-CD2 3.86Å; F109-Y117 HydrophobicContact CE2-CD2 3.86Å; F109-Y117 AromaticContact CE2-CE2 3.61Å; F109-Y117 HydrophobicContact CE2-CE2 3.61Å; F109-Y117 HydrophobicContact CZ-CE2 4.11Å; H113-Y117 AromaticContact CD2-CD2 3.78Å; H113-Y117 AromaticContact CD2-CE2 3.28Å; H113-Y117 WeakPolarHBondContact CD2-CE2 3.16Å; H113-Y117 AromaticContact CD2-CZ 3.84Å; H113-Y117 AromaticContact NE2-CE2 3.08Å; H113-Y117 WeakPolarHBondContact NE2-CE2 3.16Å; H113-Y117 AromaticContact NE2-CZ 3.44Å; H113-Y117 PolarHBondContact NE2-OH 3.4Å; H113-Y117 PolarHBondContact O-N 2.91Å; G114-Y117 PolarHBondContact O-N 3.4Å; R115-Y117 VanDerWaalsContact C-N 3.32Å; R115-Y117 PolarHBondContact O-N 3.32Å; Y117-A119 PolarHBondContact O-N 3.17Å; Y117-Q120 WeakPolarHBondContact O-CB 3.3Å; Y117-Q120 PolarHBondContact O-N 3.24Å; Y117-I121 WeakPolarHBondContact O-CG1 3.11Å; Y117-I121 PolarHBondContact O-N 2.67Å; Y117-I121 VanDerWaalsContact O-N 3.14Å; Y117-I145 HydrophobicContact CE1-CD1 3.96Å; Y117-G149 WeakPolarHBondContact CE1-O 3.33Å; Y117-V151 HydrophobicContact CD1-CG2 3.44Å; Y117-V151 VanDerWaalsContact CD1-CG2 3.44Å; Y117-V151 HydrophobicContact CE1-CG2 3.99Å; Y117-V151 HydrophobicContact CG-CG2 4.04Å; Y117-M202 HydrophobicContact CD2-SD 4.04Å
118A98.9Very high98.7Very high0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-56.4-38.9177.800000112.1G114 R115 Q120 I121 V122 L195 I199 M202 W267 F268G114-A118 VanDerWaalsContact O-CB 3.29Å; G114-A118 WeakPolarHBondContact O-CB 3.33Å; G114-A118 PolarHBondContact O-N 2.92Å; R115-A118 PolarHBondContact O-N 3.3Å; A118-Q120 VanDerWaalsContact C-N 3.3Å; A118-Q120 PolarHBondContact O-N 3.26Å; A118-I121 PolarHBondContact O-N 2.93Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.43Å; A118-V122 PolarHBondContact O-N 3.38Å; A118-L195 HydrophobicContact CB-CD1 4.48Å; A118-I199 HydrophobicContact CB-CD1 3.88Å; A118-I199 HydrophobicContact CB-CG1 3.73Å; A118-M202 HydrophobicContact CB-CE 4.29Å; A118-W267 HydrophobicContact CB-CH2 4.33Å; A118-W267 HydrophobicContact CB-CZ3 4.07Å; A118-F268 HydrophobicContact CB-CE1 4.11Å; A118-F268 HydrophobicContact CB-CZ 3.89Å
119A98.9Very high98.7Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-60.3-39176.600000112.5R115 Y117 V122 L123 F268 T271 W273 I276R115-A119 WeakPolarHBondContact O-CB 3.27Å; R115-A119 PolarHBondContact O-N 3.46Å; Y117-A119 PolarHBondContact O-N 3.17Å; A119-V122 PolarHBondContact O-N 2.96Å; A119-L123 WeakPolarHBondContact O-CG 3.45Å; A119-L123 PolarHBondContact O-N 2.99Å; A119-L123 VanDerWaalsContact O-N 3.1Å; A119-F268 HydrophobicContact CB-CE1 4.18Å; A119-T271 HydrophobicContact CB-CG2 3.76Å; A119-W273 HydrophobicContact CB-CE3 4.42Å; A119-W273 HydrophobicContact CB-CH2 4.19Å; A119-W273 HydrophobicContact CB-CZ3 3.81Å; A119-W273 WeakPolarHBondContact O-CZ3 3.4Å; A119-I276 HydrophobicContact CB-CG1 4.43Å; A119-I276 HydrophobicContact CB-CG2 4.39Å
120Q98.9Very high98.7Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-67.9-41.4177.2-64.916565.800111.4F73 F116 Y117 A118 L123 A124 Y150 I276F73-Q120 HydrophobicContact CB-CB 4.5Å; F73-Q120 HydrophobicContact CD1-CB 4.25Å; F73-Q120 HydrophobicContact CD1-CG 4.14Å; F73-Q120 HydrophobicContact CD2-CB 3.74Å; F73-Q120 HydrophobicContact CD2-CG 4.17Å; F73-Q120 WeakPolarHBondContact CD2-O 3.44Å; F73-Q120 HydrophobicContact CE1-CB 4.49Å; F73-Q120 HydrophobicContact CE1-CG 3.97Å; F73-Q120 HydrophobicContact CE2-CB 4Å; F73-Q120 HydrophobicContact CE2-CG 3.98Å; F73-Q120 HydrophobicContact CG-CB 3.9Å; F73-Q120 HydrophobicContact CG-CG 4.26Å; F73-Q120 HydrophobicContact CZ-CB 4.37Å; F73-Q120 HydrophobicContact CZ-CG 3.88Å; F116-Q120 VanDerWaalsContact CD1-NE2 3.28Å; F116-Q120 VanDerWaalsContact CZ-NE2 3.31Å; F116-Q120 PolarHBondContact O-NE2 3.01Å; Y117-Q120 WeakPolarHBondContact O-CB 3.3Å; Y117-Q120 PolarHBondContact O-N 3.24Å; A118-Q120 VanDerWaalsContact C-N 3.3Å; A118-Q120 PolarHBondContact O-N 3.26Å; Q120-L123 PolarHBondContact O-N 2.7Å; Q120-A124 WeakPolarHBondContact O-CB 3.01Å; Q120-A124 PolarHBondContact O-N 2.88Å; Q120-Y150 HydrophobicContact CG-CD1 4.29Å; Q120-Y150 VanDerWaalsContact OE1-CD1 3.27Å; Q120-I276 HydrophobicContact CG-CG2 3.69Å
121I98.9Very high98.7Very high0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-64.7-41175.9-55.2-54.8000111.2Y117 A118 L123 A124 F125 L138 L143 V151 I153 L195 L198Y117-I121 WeakPolarHBondContact O-CG1 3.11Å; Y117-I121 PolarHBondContact O-N 2.67Å; Y117-I121 VanDerWaalsContact O-N 3.14Å; A118-I121 PolarHBondContact O-N 2.93Å; I121-L123 VanDerWaalsContact C-N 3.33Å; I121-L123 PolarHBondContact O-N 2.73Å; I121-A124 PolarHBondContact O-N 3.49Å; I121-F125 HydrophobicContact CG2-CD2 3.95Å; I121-F125 HydrophobicContact CG2-CE1 4.24Å; I121-F125 HydrophobicContact CG2-CE2 3.63Å; I121-F125 HydrophobicContact CG2-CG 4.38Å; I121-F125 HydrophobicContact CG2-CZ 3.81Å; I121-F125 WeakPolarHBondContact O-CB 3.42Å; I121-F125 PolarHBondContact O-N 2.85Å; I121-L138 HydrophobicContact CD1-CD1 4.36Å; I121-L138 HydrophobicContact CG2-CD1 4.04Å; I121-L138 HydrophobicContact CG2-CD2 4.05Å; I121-L143 HydrophobicContact CD1-CD1 3.99Å; I121-L143 HydrophobicContact CD1-CD2 3.64Å; I121-L143 HydrophobicContact CD1-CG 4.48Å; I121-L143 HydrophobicContact CG1-CD1 4.48Å; I121-V151 HydrophobicContact CD1-CG1 3.94Å; I121-I153 HydrophobicContact CD1-CD1 3.82Å; I121-I153 HydrophobicContact CD1-CG1 3.87Å; I121-L195 HydrophobicContact CB-CD1 4.04Å; I121-L195 HydrophobicContact CG2-CD1 3.86Å; I121-L198 HydrophobicContact CG1-CD2 4.06Å
122V99Very high98.6Very high0 Ų023.1 Ų23.10%013%0.125CC..Hα-helixtrans-57.6-47174.7168.50000110.9A118 A119 F125 E126 W192 L195 V259 I262 K263 F268 W273A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.43Å; A118-V122 PolarHBondContact O-N 3.38Å; A119-V122 PolarHBondContact O-N 2.96Å; V122-F125 PolarHBondContact O-N 3.32Å; V122-E126 WeakPolarHBondContact O-CB 3.31Å; V122-E126 PolarHBondContact O-N 2.85Å; V122-W192 HydrophobicContact CG1-CZ3 4.5Å; V122-W192 HydrophobicContact CG2-CZ3 4.29Å; V122-L195 HydrophobicContact CG2-CD2 3.56Å; V122-V259 HydrophobicContact CG1-CG2 3.69Å; V122-I262 HydrophobicContact CG1-CG2 4.47Å; V122-I262 HydrophobicContact CG2-CG2 3.83Å; V122-K263 HydrophobicContact CG1-CD 4.34Å; V122-K263 HydrophobicContact CG1-CG 3.82Å; V122-F268 HydrophobicContact CG2-CZ 4.22Å; V122-W273 HydrophobicContact CB-CH2 4.11Å; V122-W273 HydrophobicContact CB-CZ3 3.88Å; V122-W273 HydrophobicContact CG1-CH2 3.85Å; V122-W273 HydrophobicContact CG1-CZ3 3.71Å; V122-W273 HydrophobicContact CG2-CH2 4.43Å
123L98.9Very high98.6Very high11 Ų1119.3 Ų19.36%0.05810%0.1CC..Hα-helixtrans-65.2-39.4177.6-70.7172.5000112.2F71 F73 A119 Q120 I121 E126 Y127 W273 I276F71-L123 HydrophobicContact CE1-CB 4.06Å; F71-L123 HydrophobicContact CZ-CB 3.99Å; F71-L123 WeakPolarHBondContact CZ-O 3.44Å; F73-L123 HydrophobicContact CD2-CB 4.31Å; F73-L123 HydrophobicContact CE2-CB 4.07Å; F73-L123 HydrophobicContact CE2-CD1 3.81Å; A119-L123 WeakPolarHBondContact O-CG 3.45Å; A119-L123 PolarHBondContact O-N 2.99Å; A119-L123 VanDerWaalsContact O-N 3.1Å; Q120-L123 PolarHBondContact O-N 2.7Å; I121-L123 VanDerWaalsContact C-N 3.33Å; I121-L123 PolarHBondContact O-N 2.73Å; L123-E126 PolarHBondContact O-N 3.22Å; L123-Y127 PolarHBondContact O-N 2.93Å; L123-W273 HydrophobicContact CD1-CE3 4.21Å; L123-W273 HydrophobicContact CD2-CE3 3.94Å; L123-W273 HydrophobicContact CG-CE3 3.89Å; L123-W273 HydrophobicContact CG-CZ3 4.25Å; L123-I276 HydrophobicContact CD1-CB 4.29Å; L123-I276 HydrophobicContact CD1-CG2 3.77Å
124A98.9Very high98.6Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-65.8-42.6177.200000112.2F71 L74 Q120 I121 Y127 L128 I153F71-A124 HydrophobicContact CD1-CB 4.32Å; F71-A124 HydrophobicContact CE1-CB 4.29Å; L74-A124 HydrophobicContact CD2-CB 4.04Å; Q120-A124 WeakPolarHBondContact O-CB 3.01Å; Q120-A124 PolarHBondContact O-N 2.88Å; I121-A124 PolarHBondContact O-N 3.49Å; A124-Y127 PolarHBondContact O-N 2.59Å; A124-L128 WeakPolarHBondContact O-CG 3.44Å; A124-L128 PolarHBondContact O-N 3.15Å; A124-I153 HydrophobicContact CB-CD1 3.45Å; A124-I153 VanDerWaalsContact CB-CD1 3.45Å
125F98.9Very high98.7Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-68.2-40.1174.6-72.5-11.6000112.3I121 V122 Y127 L128 H129 Y135 L138 D191 W192 L195I121-F125 HydrophobicContact CG2-CD2 3.95Å; I121-F125 HydrophobicContact CG2-CE1 4.24Å; I121-F125 HydrophobicContact CG2-CE2 3.63Å; I121-F125 HydrophobicContact CG2-CG 4.38Å; I121-F125 HydrophobicContact CG2-CZ 3.81Å; I121-F125 WeakPolarHBondContact O-CB 3.42Å; I121-F125 PolarHBondContact O-N 2.85Å; V122-F125 PolarHBondContact O-N 3.32Å; F125-Y127 VanDerWaalsContact C-N 3.26Å; F125-Y127 PolarHBondContact O-N 3.33Å; F125-L128 HydrophobicContact CD1-CD1 4.49Å; F125-L128 PolarHBondContact O-N 3.31Å; F125-H129 WeakPolarHBondContact O-CB 3.33Å; F125-H129 PolarHBondContact O-CD2 3.46Å; F125-H129 PolarHBondContact O-N 3.24Å; F125-Y135 HydrophobicContact CE1-CD1 4.03Å; F125-Y135 HydrophobicContact CE1-CG 4.3Å; F125-Y135 HydrophobicContact CZ-CD1 4.4Å; F125-L138 HydrophobicContact CE2-CD2 3.79Å; F125-L138 HydrophobicContact CZ-CB 4.09Å; F125-L138 HydrophobicContact CZ-CD1 4.02Å; F125-L138 HydrophobicContact CZ-CD2 3.63Å; F125-L138 HydrophobicContact CZ-CG 4.12Å; F125-D191 HydrophobicContact CD1-CB 4.5Å; F125-D191 HydrophobicContact CD2-CB 3.95Å; F125-D191 HydrophobicContact CE1-CB 4.28Å; F125-D191 HydrophobicContact CE2-CB 3.72Å; F125-D191 VanDerWaalsContact CE2-O 3.26Å; F125-D191 WeakPolarHBondContact CE2-O 3.37Å; F125-D191 HydrophobicContact CG-CB 4.34Å; F125-D191 HydrophobicContact CZ-CB 3.89Å; F125-W192 HydrophobicContact CB-CH2 3.56Å; F125-W192 HydrophobicContact CB-CZ2 3.99Å; F125-W192 HydrophobicContact CB-CZ3 3.93Å; F125-W192 HydrophobicContact CD2-CE3 4.02Å; F125-W192 HydrophobicContact CD2-CH2 4.39Å; F125-W192 AromaticContact CD2-CZ3 3.91Å; F125-W192 HydrophobicContact CD2-CZ3 3.91Å; F125-W192 HydrophobicContact CG-CZ3 4.46Å; F125-L195 HydrophobicContact CE2-CB 4.22Å
126E98.8Very high98.6Very high61 Ų6117.4 Ų17.429%0.2859%0.092SC..Hα-helixtrans-53.1-47.6172-177.5171.1-153.900110.9V122 L123 S130 V259 K263V122-E126 WeakPolarHBondContact O-CB 3.31Å; V122-E126 PolarHBondContact O-N 2.85Å; L123-E126 PolarHBondContact O-N 3.22Å; E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 3.15Å; E126-S130 VanDerWaalsContact O-N 3.15Å; E126-V259 HydrophobicContact CB-CG2 4.3Å; E126-V259 HydrophobicContact CG-CG1 4Å; E126-V259 WeakPolarHBondContact OE1-CG1 3.37Å; E126-K263 IonicContact OE1-NZ 3.01Å; E126-K263 PolarHBondContact OE1-NZ 2.96Å; E126-K263 IonicContact OE2-NZ 2.81Å; E126-K263 PolarHBondContact OE2-NZ 3.13Å
127Y98.8Very high98.6Very high49 Ų4917 Ų1719%0.1929%0.091CC..Hα-helixtrans-62.9-54.9175.5172-97.7000112.8V69 N70 F71 L74 L123 A124 F125 H129 S130 L131V69-Y127 WeakPolarHBondContact CA-OH 3.49Å; V69-Y127 HydrophobicContact CB-CE1 3.97Å; V69-Y127 HydrophobicContact CG1-CE1 4.08Å; N70-Y127 PolarHBondContact N-OH 3.01Å; F71-Y127 HydrophobicContact CB-CD1 3.75Å; F71-Y127 HydrophobicContact CB-CD2 4.48Å; F71-Y127 HydrophobicContact CB-CE1 3.87Å; F71-Y127 HydrophobicContact CB-CG 4.09Å; F71-Y127 AromaticContact CD2-CD1 3.98Å; F71-Y127 HydrophobicContact CD2-CD1 3.98Å; F71-Y127 AromaticContact CD2-CD2 3.48Å; F71-Y127 HydrophobicContact CD2-CD2 3.48Å; F71-Y127 VanDerWaalsContact CD2-CD2 3.48Å; F71-Y127 HydrophobicContact CD2-CE2 4.1Å; F71-Y127 AromaticContact CD2-CG 3.4Å; F71-Y127 HydrophobicContact CD2-CG 3.4Å; F71-Y127 AromaticContact CE2-CD2 3.99Å; F71-Y127 HydrophobicContact CE2-CD2 3.99Å; F71-Y127 AromaticContact CE2-CG 3.9Å; F71-Y127 HydrophobicContact CE2-CG 3.9Å; F71-Y127 AromaticContact CG-CD1 3.88Å; F71-Y127 HydrophobicContact CG-CD1 3.88Å; F71-Y127 HydrophobicContact CG-CD2 4.23Å; F71-Y127 HydrophobicContact CG-CE1 4.45Å; F71-Y127 AromaticContact CG-CG 3.76Å; F71-Y127 HydrophobicContact CG-CG 3.76Å; L74-Y127 HydrophobicContact CD1-CD1 3.94Å; L74-Y127 HydrophobicContact CD1-CE1 3.93Å; L123-Y127 PolarHBondContact O-N 2.93Å; A124-Y127 PolarHBondContact O-N 2.59Å; F125-Y127 VanDerWaalsContact C-N 3.26Å; F125-Y127 PolarHBondContact O-N 3.33Å; Y127-H129 VanDerWaalsContact C-N 3.35Å; Y127-H129 PolarHBondContact O-N 3.07Å; Y127-S130 WeakPolarHBondContact O-CB 3.43Å; Y127-S130 PolarHBondContact O-N 3.29Å; Y127-S130 PolarHBondContact O-OG 3.16Å; Y127-L131 HydrophobicContact CD1-CD1 4.46Å; Y127-L131 HydrophobicContact CE1-CD1 3.74Å; Y127-L131 HydrophobicContact CE2-CD1 4.02Å; Y127-L131 VanDerWaalsContact CZ-CD1 3.48Å; Y127-L131 PolarHBondContact O-N 3.41Å; Y127-L131 WeakPolarHBondContact OH-CD1 3.37Å
128L98.7Very high98.6Very high0 Ų017.1 Ų17.10%09%0.091CC..Hα-helixtrans-60.6-44.2-177.1-71.9175.5000111.9V69 L74 A124 F125 S130 L131 D132 I133 F156V69-L128 HydrophobicContact CG1-CD2 3.92Å; L74-L128 HydrophobicContact CD1-CD2 3.78Å; L74-L128 HydrophobicContact CD1-CG 4.18Å; L74-L128 HydrophobicContact CD2-CD1 4.36Å; A124-L128 WeakPolarHBondContact O-CG 3.44Å; A124-L128 PolarHBondContact O-N 3.15Å; F125-L128 HydrophobicContact CD1-CD1 4.49Å; F125-L128 PolarHBondContact O-N 3.31Å; L128-S130 VanDerWaalsContact C-N 3.26Å; L128-S130 PolarHBondContact O-N 2.68Å; L128-L131 CarbonylContact O-C 3.56Å; L128-L131 WeakPolarHBondContact O-CA 3.36Å; L128-L131 WeakPolarHBondContact O-CB 3.36Å; L128-L131 PolarHBondContact O-N 3.25Å; L128-D132 PolarHBondContact O-N 3.28Å; L128-I133 CarbonylContact C-O 3.6Å; L128-I133 HydrophobicContact CB-CB 4.24Å; L128-I133 HydrophobicContact CB-CG2 4.42Å; L128-I133 HydrophobicContact CD2-CB 4.29Å; L128-I133 HydrophobicContact CD2-CD1 4.28Å; L128-I133 HydrophobicContact CD2-CG2 4.06Å; L128-I133 WeakPolarHBondContact O-CB 3.41Å; L128-I133 PolarHBondContact O-N 2.91Å; L128-F156 HydrophobicContact CD1-CE1 4.31Å; L128-F156 HydrophobicContact CD1-CZ 4.47Å; L128-F156 HydrophobicContact CD2-CE1 4.11Å
129H98.5Very high98.5Very high14 Ų1418.7 Ų18.77%0.06510%0.098CC..Hα-helixtrans-67.5-27.9-179.5-67.2-175.9000112.1F125 Y127 L131 D132 I133 K188 D191 W192F125-H129 WeakPolarHBondContact O-CB 3.33Å; F125-H129 PolarHBondContact O-CD2 3.46Å; F125-H129 PolarHBondContact O-N 3.24Å; Y127-H129 VanDerWaalsContact C-N 3.35Å; Y127-H129 PolarHBondContact O-N 3.07Å; H129-L131 PolarHBondContact O-N 3.25Å; H129-D132 PolarHBondContact O-N 3.05Å; H129-I133 PolarHBondContact CD2-O 3.38Å; H129-I133 VanDerWaalsContact CD2-O 3.24Å; H129-K188 HydrophobicContact CB-CD 3.94Å; H129-K188 PolarHBondContact CE1-O 2.8Å; H129-D191 IonicContact CD2-OD2 3.37Å; H129-D191 IonicContact CE1-OD2 2.67Å; H129-D191 IonicContact NE2-OD2 2.71Å; H129-D191 PolarHBondContact NE2-OD2 3.2Å; H129-W192 AromaticContact CE1-CE2 3.64Å; H129-W192 AromaticContact CE1-CZ2 3.89Å; H129-W192 AromaticContact CE1-NE1 3.43Å; H129-W192 PolarHBondContact CE1-NE1 2.7Å; H129-W192 AromaticContact ND1-CE2 3.67Å; H129-W192 AromaticContact ND1-CZ2 3.65Å; H129-W192 AromaticContact ND1-NE1 3.4Å; H129-W192 PolarHBondContact ND1-NE1 2.94Å
130S97.8Very high98.5Very high87 Ų8718.7 Ų18.761%0.60810%0.098SC*.Hα-helixtrans-66.7-20.5172.281.10000113E126 Y127 L128E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 3.15Å; E126-S130 VanDerWaalsContact O-N 3.15Å; Y127-S130 WeakPolarHBondContact O-CB 3.43Å; Y127-S130 PolarHBondContact O-N 3.29Å; Y127-S130 PolarHBondContact O-OG 3.16Å; L128-S130 VanDerWaalsContact C-N 3.26Å; L128-S130 PolarHBondContact O-N 2.68Å
131L97.9Very high98.4Very high46 Ų4621.8 Ų21.824%0.24111%0.112CC..THydrogen-bonded Turntrans-100.714.3177.8-59.6178.3000113V69 Y127 L128 H129 I133 R161V69-L131 HydrophobicContact CG1-CD1 4.36Å; Y127-L131 HydrophobicContact CD1-CD1 4.46Å; Y127-L131 HydrophobicContact CE1-CD1 3.74Å; Y127-L131 HydrophobicContact CE2-CD1 4.02Å; Y127-L131 VanDerWaalsContact CZ-CD1 3.48Å; Y127-L131 PolarHBondContact O-N 3.41Å; Y127-L131 WeakPolarHBondContact OH-CD1 3.37Å; L128-L131 CarbonylContact O-C 3.56Å; L128-L131 WeakPolarHBondContact O-CA 3.36Å; L128-L131 WeakPolarHBondContact O-CB 3.36Å; L128-L131 PolarHBondContact O-N 3.25Å; H129-L131 PolarHBondContact O-N 3.25Å; L131-I133 HydrophobicContact CB-CD1 3.9Å; L131-I133 HydrophobicContact CB-CG1 4.24Å; L131-I133 HydrophobicContact CD1-CD1 4.33Å; L131-I133 PolarHBondContact O-N 2.74Å; L131-R161 PolarHBondContact O-NE 3.39Å; L131-R161 PolarHBondContact O-NH2 3.04Å; L131-R161 VanDerWaalsContact O-NH2 3.15Å
132D98.1Very high98.3Very high62 Ų6222.3 Ų22.333%0.33212%0.115SC..THydrogen-bonded Turntrans58.823.4-172.2-59.1-51000113.5L128 H129 R161 V162 K163L128-D132 PolarHBondContact O-N 3.28Å; H129-D132 PolarHBondContact O-N 3.05Å; D132-R161 HydrophobicContact CB-CG 4.08Å; D132-R161 CarbonylContact O-C 3.48Å; D132-R161 VanDerWaalsContact O-CA 3.23Å; D132-R161 WeakPolarHBondContact O-CA 3.48Å; D132-V162 PolarHBondContact O-N 3.47Å; D132-K163 HydrophobicContact CB-CG 4.24Å; D132-K163 WeakPolarHBondContact OD2-CE 3.28Å; D132-K163 WeakPolarHBondContact OD2-CG 3.41Å
133I98.5Very high98.3Very high1 Ų122.3 Ų22.31%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-96.6128-179.9-63.2161.9000109.6I65 V69 L128 H129 L131 A159 K160 R161I65-I133 HydrophobicContact CD1-CG2 4.34Å; I65-I133 HydrophobicContact CG2-CD1 4.03Å; I65-I133 HydrophobicContact CG2-CG2 4.23Å; V69-I133 HydrophobicContact CG1-CD1 3.78Å; L128-I133 CarbonylContact C-O 3.6Å; L128-I133 HydrophobicContact CB-CB 4.24Å; L128-I133 HydrophobicContact CB-CG2 4.42Å; L128-I133 HydrophobicContact CD2-CB 4.29Å; L128-I133 HydrophobicContact CD2-CD1 4.28Å; L128-I133 HydrophobicContact CD2-CG2 4.06Å; L128-I133 WeakPolarHBondContact O-CB 3.41Å; L128-I133 PolarHBondContact O-N 2.91Å; H129-I133 PolarHBondContact CD2-O 3.38Å; H129-I133 VanDerWaalsContact CD2-O 3.24Å; L131-I133 HydrophobicContact CB-CD1 3.9Å; L131-I133 HydrophobicContact CB-CG1 4.24Å; L131-I133 HydrophobicContact CD1-CD1 4.33Å; L131-I133 PolarHBondContact O-N 2.74Å; I133-A159 HydrophobicContact CG2-CB 4.35Å; I133-K160 WeakPolarHBondContact CA-O 3.35Å; I133-R161 HydrophobicContact CG1-CB 4.47Å
134I98.4Very high98.2Very high5 Ų522.7 Ų22.73%0.02612%0.117CC..EExtended strand (participates in β ladder)trans-104.9132.2170-46.9175.5000107.6R136 A159 K160 V162 T166 K188 V190 D191I134-R136 HydrophobicContact CB-CG 4.02Å; I134-R136 HydrophobicContact CG2-CG 3.43Å; I134-R136 VanDerWaalsContact CG2-CG 3.43Å; I134-A159 CarbonylContact O-C 3.4Å; I134-A159 VanDerWaalsContact O-CA 3.27Å; I134-A159 WeakPolarHBondContact O-CA 3.44Å; I134-K160 PolarHBondContact N-O 2.96Å; I134-K160 PolarHBondContact O-N 3.35Å; I134-V162 HydrophobicContact CD1-CB 3.75Å; I134-V162 HydrophobicContact CD1-CG1 4.12Å; I134-V162 HydrophobicContact CD1-CG2 3.95Å; I134-V162 HydrophobicContact CG1-CB 4.27Å; I134-V162 HydrophobicContact CG1-CG2 4.44Å; I134-T166 HydrophobicContact CD1-CG2 4.48Å; I134-K188 HydrophobicContact CG1-CB 4.22Å; I134-V190 HydrophobicContact CG2-CG2 3.87Å; I134-D191 VanDerWaalsContact CG2-OD2 3.27Å; I134-D191 WeakPolarHBondContact CG2-OD2 3.31Å
135Y98.6Very high98.2Very high0 Ų022.7 Ų22.70%012%0.117CC..  trans-82.4-48-173.5178.4-117.5000113.2F125 D137 L138 N142 I153 T154 D155 F156 F158 A159 D191F125-Y135 HydrophobicContact CE1-CD1 4.03Å; F125-Y135 HydrophobicContact CE1-CG 4.3Å; F125-Y135 HydrophobicContact CZ-CD1 4.4Å; Y135-D137 VanDerWaalsContact C-N 3.29Å; Y135-D137 WeakPolarHBondContact CE1-O 3.24Å; Y135-D137 PolarHBondContact O-N 2.97Å; Y135-L138 HydrophobicContact CD1-CB 4.13Å; Y135-L138 HydrophobicContact CE1-CB 4.15Å; Y135-L138 HydrophobicContact CE1-CD1 4.43Å; Y135-N142 WeakPolarHBondContact OH-CB 3.41Å; Y135-N142 PolarHBondContact OH-ND2 3.41Å; Y135-I153 HydrophobicContact CD2-CG2 4.29Å; Y135-I153 HydrophobicContact CE1-CG2 3.97Å; Y135-I153 HydrophobicContact CE2-CG2 3.63Å; Y135-I153 VanDerWaalsContact CZ-CG2 3.46Å; Y135-T154 PolarHBondContact OH-O 3.45Å; Y135-D155 VanDerWaalsContact CE2-O 3.3Å; Y135-D155 WeakPolarHBondContact CE2-O 3.33Å; Y135-D155 PolarHBondContact OH-O 3.16Å; Y135-F156 HydrophobicContact CD2-CD1 4.39Å; Y135-F156 HydrophobicContact CD2-CE1 4.32Å; Y135-F156 HydrophobicContact CD2-CZ 4.4Å; Y135-F156 HydrophobicContact CE2-CD2 4.07Å; Y135-F156 HydrophobicContact CE2-CE2 4.12Å; Y135-F156 HydrophobicContact CE2-CG 4.32Å; Y135-F156 HydrophobicContact CE2-CZ 4.42Å; Y135-F158 CarbonylContact O-C 3.55Å; Y135-A159 PolarHBondContact O-N 3.32Å; Y135-D191 PolarHBondContact N-OD1 3.29Å; Y135-D191 PolarHBondContact N-OD2 3.15Å
136R98.1Very high98Very high14 Ų1423.4 Ų23.45%0.05312%0.121CC..  trans66.83.1169.8-50.6-171.5-67.9163.15.3118.3I134 F158 C170 Y186 V190 D191I134-R136 HydrophobicContact CB-CG 4.02Å; I134-R136 HydrophobicContact CG2-CG 3.43Å; I134-R136 VanDerWaalsContact CG2-CG 3.43Å; R136-F158 HydrophobicContact CB-CB 4.18Å; R136-F158 PolarHBondContact NE-O 2.93Å; R136-F158 PolarHBondContact NH2-O 3.32Å; R136-C170 PolarHBondContact NH1-SG 3Å; R136-Y186 WeakPolarHBondContact CD-OH 3.33Å; R136-Y186 PolarHBondContact NH1-OH 3.47Å; R136-V190 HydrophobicContact CG-CG2 4.37Å; R136-D191 PolarHBondContact N-OD1 3.43Å
137D97.5Very high97.7Very high7 Ų724.1 Ų24.14%0.03713%0.133CC..  trans-138.243173.7-151.732.2000113.4Y135 K139 N142 F158 T172Y135-D137 VanDerWaalsContact C-N 3.29Å; Y135-D137 WeakPolarHBondContact CE1-O 3.24Å; Y135-D137 PolarHBondContact O-N 2.97Å; D137-K139 PolarHBondContact O-N 2.88Å; D137-K139 IonicContact OD1-NZ 2.66Å; D137-K139 VanDerWaalsContact OD2-CE 3.23Å; D137-K139 WeakPolarHBondContact OD2-CE 3.35Å; D137-K139 IonicContact OD2-NZ 3.71Å; D137-K139 PolarHBondContact OD2-NZ 3.43Å; D137-N142 PolarHBondContact O-ND2 2.91Å; D137-N142 PolarHBondContact OD2-ND2 2.79Å; D137-F158 HydrophobicContact CB-CB 4.42Å; D137-F158 HydrophobicContact CB-CD2 3.71Å; D137-F158 HydrophobicContact CB-CE2 4.47Å; D137-T172 PolarHBondContact OD1-N 3.23Å; D137-T172 PolarHBondContact OD1-OG1 2.89Å
138L98.8Very high97.5Very high2 Ų226.9 Ų26.91%0.0115%0.148CC..  trans-69.1123.4174.6-174.171.1000110.1I121 F125 Y135 L143 Y175 A194 L195 L198I121-L138 HydrophobicContact CD1-CD1 4.36Å; I121-L138 HydrophobicContact CG2-CD1 4.04Å; I121-L138 HydrophobicContact CG2-CD2 4.05Å; F125-L138 HydrophobicContact CE2-CD2 3.79Å; F125-L138 HydrophobicContact CZ-CB 4.09Å; F125-L138 HydrophobicContact CZ-CD1 4.02Å; F125-L138 HydrophobicContact CZ-CD2 3.63Å; F125-L138 HydrophobicContact CZ-CG 4.12Å; Y135-L138 HydrophobicContact CD1-CB 4.13Å; Y135-L138 HydrophobicContact CE1-CB 4.15Å; Y135-L138 HydrophobicContact CE1-CD1 4.43Å; L138-L143 HydrophobicContact CD1-CD1 4.32Å; L138-L143 HydrophobicContact CD1-CD2 3.95Å; L138-L143 HydrophobicContact CD1-CG 4.46Å; L138-Y175 WeakPolarHBondContact O-CD1 3.48Å; L138-Y175 WeakPolarHBondContact O-CE1 3.46Å; L138-A194 HydrophobicContact CB-CB 3.9Å; L138-A194 HydrophobicContact CD2-CB 4.09Å; L138-L195 HydrophobicContact CD2-CB 4.3Å; L138-L198 HydrophobicContact CD1-CD2 4.08Å; L138-L198 HydrophobicContact CD2-CB 4.15Å; L138-L198 HydrophobicContact CD2-CD2 3.91Å; L138-L198 HydrophobicContact CG-CD2 4.09Å
139K98Very high97.5Very high34 Ų3426.9 Ų26.915%0.14815%0.148CC..SBendtrans-165.8159.1174.360.1-177.6160.3-162.50109.5D137 E141 N142 T172 Y175D137-K139 PolarHBondContact O-N 2.88Å; D137-K139 IonicContact OD1-NZ 2.66Å; D137-K139 VanDerWaalsContact OD2-CE 3.23Å; D137-K139 WeakPolarHBondContact OD2-CE 3.35Å; D137-K139 IonicContact OD2-NZ 3.71Å; D137-K139 PolarHBondContact OD2-NZ 3.43Å; K139-E141 VanDerWaalsContact CB-OE2 3.31Å; K139-E141 WeakPolarHBondContact CB-OE2 3.31Å; K139-E141 HydrophobicContact CD-CB 4.22Å; K139-E141 WeakPolarHBondContact CD-OE2 3.35Å; K139-E141 HydrophobicContact CG-CB 4.22Å; K139-E141 WeakPolarHBondContact CG-OE2 3.41Å; K139-E141 PolarHBondContact O-N 3.31Å; K139-E141 VanDerWaalsContact O-N 3.16Å; K139-N142 VanDerWaalsContact CE-CG 3.47Å; K139-N142 WeakPolarHBondContact CE-ND2 3.42Å; K139-N142 WeakPolarHBondContact CE-OD1 3.45Å; K139-N142 HydrophobicContact CG-CB 4.13Å; K139-N142 PolarHBondContact O-N 2.85Å; K139-T172 HydrophobicContact CD-CG2 4.26Å; K139-T172 WeakPolarHBondContact CD-OG1 3.3Å; K139-T172 PolarHBondContact NZ-OG1 3.42Å; K139-Y175 HydrophobicContact CB-CD2 4.15Å; K139-Y175 HydrophobicContact CB-CE2 4.03Å
140P98.2Very high97.5Very high0 Ų026.4 Ų26.40%015%0.145CC..G310 helixtrans-58.5-28.3-176.6-25.335.1000114.2M99 F100 N142 L143 Y175 L198M99-P140 HydrophobicContact CB-CB 4.45Å; M99-P140 HydrophobicContact CG-CB 4.47Å; M99-P140 PolarHBondContact N-O 3.1Å; F100-P140 HydrophobicContact CB-CB 3.84Å; F100-P140 HydrophobicContact CD2-CB 4.22Å; F100-P140 PolarHBondContact N-O 3.45Å; P140-N142 VanDerWaalsContact C-N 3.3Å; P140-N142 PolarHBondContact O-N 2.82Å; P140-L143 PolarHBondContact O-N 2.74Å; P140-Y175 VanDerWaalsContact CD-OH 3.26Å; P140-Y175 WeakPolarHBondContact CD-OH 3.18Å; P140-L198 HydrophobicContact CG-CD1 3.88Å
141E96.4Very high97.5Very high64 Ų6422.2 Ų22.230%0.29912%0.116SC..G310 helixtrans-66.5-32.8177.5-60.190.1150.100111.6F100 K139 L143F100-E141 HydrophobicContact CB-CG 3.99Å; F100-E141 HydrophobicContact CD2-CG 3.97Å; F100-E141 HydrophobicContact CG-CG 3.96Å; K139-E141 VanDerWaalsContact CB-OE2 3.31Å; K139-E141 WeakPolarHBondContact CB-OE2 3.31Å; K139-E141 HydrophobicContact CD-CB 4.22Å; K139-E141 WeakPolarHBondContact CD-OE2 3.35Å; K139-E141 HydrophobicContact CG-CB 4.22Å; K139-E141 WeakPolarHBondContact CG-OE2 3.41Å; K139-E141 PolarHBondContact O-N 3.31Å; K139-E141 VanDerWaalsContact O-N 3.16Å; E141-L143 VanDerWaalsContact C-N 3.3Å; E141-L143 PolarHBondContact O-N 2.88Å
142N97.7Very high97.5Very high12 Ų1220.6 Ų20.66%0.06411%0.107CC..G310 helixtrans-89.88.3179.5-72.3-6.8000113.4Y135 D137 K139 P140 T154Y135-N142 WeakPolarHBondContact OH-CB 3.41Å; Y135-N142 PolarHBondContact OH-ND2 3.41Å; D137-N142 PolarHBondContact O-ND2 2.91Å; D137-N142 PolarHBondContact OD2-ND2 2.79Å; K139-N142 VanDerWaalsContact CE-CG 3.47Å; K139-N142 WeakPolarHBondContact CE-ND2 3.42Å; K139-N142 WeakPolarHBondContact CE-OD1 3.45Å; K139-N142 HydrophobicContact CG-CB 4.13Å; K139-N142 PolarHBondContact O-N 2.85Å; P140-N142 VanDerWaalsContact C-N 3.3Å; P140-N142 PolarHBondContact O-N 2.82Å; N142-T154 WeakPolarHBondContact O-CG2 3.49Å; N142-T154 PolarHBondContact O-N 3.43Å
143L98.4Very high97.5Very high0 Ų017.7 Ų17.70%09%0.091CC..EExtended strand (participates in β ladder)trans-114.1106.3177-58.3-176.3000109.3M99 I121 L138 P140 E141 V151 I153 L198M99-L143 HydrophobicContact CB-CB 3.98Å; M99-L143 WeakPolarHBondContact CB-O 3.31Å; M99-L143 HydrophobicContact CE-CB 4.19Å; M99-L143 HydrophobicContact CE-CD1 3.9Å; M99-L143 PolarHBondContact N-O 3.32Å; M99-L143 HydrophobicContact SD-CB 4.46Å; M99-L143 HydrophobicContact SD-CD1 3.85Å; I121-L143 HydrophobicContact CD1-CD1 3.99Å; I121-L143 HydrophobicContact CD1-CD2 3.64Å; I121-L143 HydrophobicContact CD1-CG 4.48Å; I121-L143 HydrophobicContact CG1-CD1 4.48Å; L138-L143 HydrophobicContact CD1-CD1 4.32Å; L138-L143 HydrophobicContact CD1-CD2 3.95Å; L138-L143 HydrophobicContact CD1-CG 4.46Å; P140-L143 PolarHBondContact O-N 2.74Å; E141-L143 VanDerWaalsContact C-N 3.3Å; E141-L143 PolarHBondContact O-N 2.88Å; L143-V151 HydrophobicContact CB-CG1 4.03Å; L143-V151 HydrophobicContact CD2-CG1 3.85Å; L143-V151 HydrophobicContact CG-CG1 4.35Å; L143-I153 HydrophobicContact CD2-CB 4.32Å; L143-I153 HydrophobicContact CD2-CG1 3.53Å; L143-L198 HydrophobicContact CD1-CD1 4.03Å; L143-L198 HydrophobicContact CD1-CD2 3.63Å; L143-L198 HydrophobicContact CD1-CG 4.47Å
144L97.8Very high97.5Very high19 Ų1918.8 Ų18.810%0.09910%0.098CC..EExtended strand (participates in β ladder)trans-88.9147.7175.6-57.8177.4000110.5V94 G97 E98 V151 K152 T154 F298V94-L144 HydrophobicContact CB-CB 3.89Å; V94-L144 HydrophobicContact CB-CD1 3.86Å; V94-L144 HydrophobicContact CG1-CB 3.62Å; V94-L144 HydrophobicContact CG2-CD1 4.24Å; G97-L144 CarbonylContact O-C 3.58Å; G97-L144 WeakPolarHBondContact O-CA 3.36Å; E98-L144 HydrophobicContact CG-CD2 3.88Å; L144-V151 CarbonylContact O-C 3.52Å; L144-V151 WeakPolarHBondContact O-CA 3.49Å; L144-K152 HydrophobicContact CB-CB 4.39Å; L144-K152 PolarHBondContact N-O 2.73Å; L144-K152 PolarHBondContact O-N 3.42Å; L144-T154 HydrophobicContact CD1-CG2 4Å; L144-T154 HydrophobicContact CG-CG2 3.93Å; L144-F298 HydrophobicContact CD2-CE1 4.46Å
145I97.8Very high97.3Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-99.1124.2174.3-53.6-57.1000109V94 G96 G97 M99 Y117 Y150 V151 L285V94-I145 VanDerWaalsContact CG1-O 3.31Å; V94-I145 WeakPolarHBondContact CG1-O 3.34Å; G96-I145 CarbonylContact C-O 3.55Å; G96-I145 WeakPolarHBondContact CA-O 3.32Å; G96-I145 PolarHBondContact N-O 3.36Å; G97-I145 PolarHBondContact O-N 3.25Å; M99-I145 HydrophobicContact CB-CD1 4.3Å; M99-I145 HydrophobicContact CE-CD1 4.05Å; Y117-I145 HydrophobicContact CE1-CD1 3.96Å; I145-Y150 CarbonylContact C-O 3.59Å; I145-Y150 WeakPolarHBondContact CA-O 3.47Å; I145-V151 HydrophobicContact CD1-CG2 4.02Å; I145-L285 HydrophobicContact CG2-CD2 4Å
146D95.7Very high97.2Very high14 Ų1421 Ų218%0.07511%0.11CC..  trans-80.1176.2177.476.816.7000112.9V94 Q148 G149 Y150 K152 K279V94-D146 HydrophobicContact CG1-CB 3.93Å; D146-Q148 PolarHBondContact O-N 2.96Å; D146-Q148 VanDerWaalsContact O-N 3.15Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.46Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.38Å; D146-Q148 PolarHBondContact OD1-N 2.61Å; D146-G149 PolarHBondContact O-N 2.96Å; D146-G149 PolarHBondContact OD1-N 3.37Å; D146-Y150 PolarHBondContact N-O 3.48Å; D146-Y150 PolarHBondContact OD1-N 2.78Å; D146-K152 HydrophobicContact CB-CG 4.35Å; D146-K279 IonicContact OD2-NZ 3.73Å; D146-K279 PolarHBondContact OD2-NZ 3.34Å
147S92.5Very high97Very high77 Ų7720.9 Ų20.954%0.53811%0.113SC..THydrogen-bonded Turntrans-65.1-14.6-178.757.50000114.2V286S147-V286 WeakPolarHBondContact O-CG1 3.26Å
148Q94.7Very high96.9Very high107 Ų10723.1 Ų23.150%0.512%0.123SC..THydrogen-bonded Turntrans-97.9-1.2174.4-56.4-174.6-66.900112D146 Y150 A283D146-Q148 PolarHBondContact O-N 2.96Å; D146-Q148 VanDerWaalsContact O-N 3.15Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.46Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.38Å; D146-Q148 PolarHBondContact OD1-N 2.61Å; Q148-Y150 HydrophobicContact CB-CD2 4.06Å; Q148-A283 WeakPolarHBondContact O-CB 3.19Å
149G97.4Very high96.8Very high0 Ų023.1 Ų23.10%012%0.123CC..SBendtrans83.210.9-177.100000114.6Y117 D146 L285Y117-G149 WeakPolarHBondContact CE1-O 3.33Å; D146-G149 PolarHBondContact O-N 2.96Å; D146-G149 PolarHBondContact OD1-N 3.37Å; G149-L285 WeakPolarHBondContact CA-O 3.28Å
150Y98.5Very high96.7Very high3 Ų323.4 Ų23.41%0.01212%0.124CC..  trans-89.2157.4175.8-78.9-105.3000111.3F73 F116 Q120 I145 D146 Q148 K279 I281F73-Y150 HydrophobicContact CD1-CD1 4.3Å; F73-Y150 AromaticContact CE1-CD1 3.6Å; F73-Y150 HydrophobicContact CE1-CD1 3.6Å; F73-Y150 HydrophobicContact CE1-CE1 4.2Å; F73-Y150 HydrophobicContact CZ-CD1 4.4Å; F116-Y150 AromaticContact CE2-CE1 3.91Å; F116-Y150 HydrophobicContact CE2-CE1 3.91Å; F116-Y150 HydrophobicContact CE2-CE2 4.36Å; F116-Y150 AromaticContact CE2-CZ 3.8Å; F116-Y150 AromaticContact CZ-CD1 3.91Å; F116-Y150 HydrophobicContact CZ-CD1 3.91Å; F116-Y150 HydrophobicContact CZ-CD2 4.05Å; F116-Y150 AromaticContact CZ-CE1 3.71Å; F116-Y150 HydrophobicContact CZ-CE1 3.71Å; F116-Y150 AromaticContact CZ-CE2 3.82Å; F116-Y150 HydrophobicContact CZ-CE2 3.82Å; F116-Y150 HydrophobicContact CZ-CG 4.09Å; F116-Y150 AromaticContact CZ-CZ 3.64Å; Q120-Y150 HydrophobicContact CG-CD1 4.29Å; Q120-Y150 VanDerWaalsContact OE1-CD1 3.27Å; I145-Y150 CarbonylContact C-O 3.59Å; I145-Y150 WeakPolarHBondContact CA-O 3.47Å; D146-Y150 PolarHBondContact N-O 3.48Å; D146-Y150 PolarHBondContact OD1-N 2.78Å; Q148-Y150 HydrophobicContact CB-CD2 4.06Å; Y150-K279 HydrophobicContact CD1-CB 4.45Å; Y150-K279 HydrophobicContact CD1-CD 4.25Å; Y150-K279 HydrophobicContact CD1-CG 3.84Å; Y150-K279 HydrophobicContact CD2-CB 4.45Å; Y150-K279 HydrophobicContact CD2-CD 4.29Å; Y150-K279 HydrophobicContact CD2-CG 4.38Å; Y150-K279 HydrophobicContact CE1-CB 4.04Å; Y150-K279 HydrophobicContact CE1-CG 3.83Å; Y150-K279 HydrophobicContact CE2-CB 4.06Å; Y150-K279 HydrophobicContact CE2-CG 4.4Å; Y150-K279 HydrophobicContact CG-CD 4.05Å; Y150-K279 HydrophobicContact CG-CG 4.12Å; Y150-K279 VanDerWaalsContact CZ-CA 3.49Å; Y150-K279 VanDerWaalsContact OH-C 3.31Å; Y150-K279 WeakPolarHBondContact OH-CA 3.45Å; Y150-I281 WeakPolarHBondContact CE2-O 3.39Å; Y150-I281 WeakPolarHBondContact OH-CA 3.38Å; Y150-I281 PolarHBondContact OH-N 2.88Å; Y150-I281 PolarHBondContact OH-O 2.76Å
151V98.5Very high96.7Very high0 Ų030.3 Ų30.30%015%0.15CC..EExtended strand (participates in β ladder)trans-80.7140.8179.4172.60000111F73 M99 Y117 I121 L143 L144 I145 I153F73-V151 VanDerWaalsContact CA-O 3.31Å; F73-V151 WeakPolarHBondContact CA-O 3.41Å; F73-V151 WeakPolarHBondContact CB-O 3.47Å; M99-V151 HydrophobicContact CE-CG2 3.54Å; Y117-V151 HydrophobicContact CD1-CG2 3.44Å; Y117-V151 VanDerWaalsContact CD1-CG2 3.44Å; Y117-V151 HydrophobicContact CE1-CG2 3.99Å; Y117-V151 HydrophobicContact CG-CG2 4.04Å; I121-V151 HydrophobicContact CD1-CG1 3.94Å; L143-V151 HydrophobicContact CB-CG1 4.03Å; L143-V151 HydrophobicContact CD2-CG1 3.85Å; L143-V151 HydrophobicContact CG-CG1 4.35Å; L144-V151 CarbonylContact O-C 3.52Å; L144-V151 WeakPolarHBondContact O-CA 3.49Å; I145-V151 HydrophobicContact CD1-CG2 4.02Å; V151-I153 HydrophobicContact CG1-CG1 4.37Å
152K98.5Very high96.7Very high12 Ų1228 Ų285%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-121.7109.9164.3-74-74.9-172.2163.50108.7P72 F73 L74 E92 V94 L144 D146 T154P72-K152 VanDerWaalsContact O-CE 3.24Å; P72-K152 WeakPolarHBondContact O-CE 3.27Å; P72-K152 PolarHBondContact O-NZ 3.21Å; F73-K152 WeakPolarHBondContact O-CA 3.15Å; L74-K152 WeakPolarHBondContact O-CD 3.47Å; L74-K152 PolarHBondContact O-NZ 3.21Å; E92-K152 WeakPolarHBondContact OE1-CE 3.29Å; E92-K152 IonicContact OE1-NZ 2.64Å; E92-K152 PolarHBondContact OE1-NZ 3.36Å; E92-K152 IonicContact OE2-NZ 3.14Å; E92-K152 PolarHBondContact OE2-NZ 3.13Å; V94-K152 HydrophobicContact CG1-CB 4.19Å; V94-K152 HydrophobicContact CG1-CG 4.2Å; V94-K152 HydrophobicContact CG2-CB 3.87Å; V94-K152 HydrophobicContact CG2-CG 3.87Å; L144-K152 HydrophobicContact CB-CB 4.39Å; L144-K152 PolarHBondContact N-O 2.73Å; L144-K152 PolarHBondContact O-N 3.42Å; D146-K152 HydrophobicContact CB-CG 4.35Å; K152-T154 PolarHBondContact O-N 3.08Å
153I98.7Very high96.5Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-68.4125.2171.7-64.1162.7000108F73 L74 V75 I121 A124 Y135 L143 V151 F156F73-I153 PolarHBondContact O-N 3.35Å; L74-I153 HydrophobicContact CD2-CB 3.79Å; L74-I153 HydrophobicContact CD2-CD1 3.72Å; L74-I153 HydrophobicContact CD2-CG1 4.27Å; L74-I153 HydrophobicContact CD2-CG2 4.33Å; V75-I153 WeakPolarHBondContact CB-O 3.47Å; V75-I153 WeakPolarHBondContact CG1-O 3.35Å; V75-I153 PolarHBondContact N-O 2.97Å; I121-I153 HydrophobicContact CD1-CD1 3.82Å; I121-I153 HydrophobicContact CD1-CG1 3.87Å; A124-I153 HydrophobicContact CB-CD1 3.45Å; A124-I153 VanDerWaalsContact CB-CD1 3.45Å; Y135-I153 HydrophobicContact CD2-CG2 4.29Å; Y135-I153 HydrophobicContact CE1-CG2 3.97Å; Y135-I153 HydrophobicContact CE2-CG2 3.63Å; Y135-I153 VanDerWaalsContact CZ-CG2 3.46Å; L143-I153 HydrophobicContact CD2-CB 4.32Å; L143-I153 HydrophobicContact CD2-CG1 3.53Å; V151-I153 HydrophobicContact CG1-CG1 4.37Å; I153-F156 HydrophobicContact CG2-CE2 4Å; I153-F156 HydrophobicContact CG2-CZ 4.39Å
154T97.2Very high96.4Very high24 Ų2438.2 Ų38.215%0.14720%0.199CC..  trans-115.3-173.6176.3-167.40000110.9Y135 N142 L144 K152Y135-T154 PolarHBondContact OH-O 3.45Å; N142-T154 WeakPolarHBondContact O-CG2 3.49Å; N142-T154 PolarHBondContact O-N 3.43Å; L144-T154 HydrophobicContact CD1-CG2 4Å; L144-T154 HydrophobicContact CG-CG2 3.93Å; K152-T154 PolarHBondContact O-N 3.08Å
155D94.2Very high96.3Very high52 Ų5244.7 Ų44.728%0.27822%0.222SC..  trans47.789.2178.5-159.13.1000115.3K43 Y135 G157K43-D155 IonicContact NZ-OD1 2.7Å; K43-D155 PolarHBondContact NZ-OD1 3.23Å; Y135-D155 VanDerWaalsContact CE2-O 3.3Å; Y135-D155 WeakPolarHBondContact CE2-O 3.33Å; Y135-D155 PolarHBondContact OH-O 3.16Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact OD1-N 3.47Å
156F96.4Very high96.2Very high0 Ų045 Ų450%022%0.224CC..  trans-96.318.1180-84-114.7000111.8E62 I65 L66 L74 L128 Y135 I153 F158 A159E62-F156 HydrophobicContact CG-CB 3.95Å; E62-F156 PolarHBondContact OE1-N 3.42Å; I65-F156 HydrophobicContact CG2-CD1 3.59Å; I65-F156 HydrophobicContact CG2-CE1 4.03Å; L66-F156 HydrophobicContact CD1-CB 4.34Å; L66-F156 HydrophobicContact CD2-CB 4.15Å; L66-F156 HydrophobicContact CD2-CD1 4.4Å; L66-F156 HydrophobicContact CD2-CD2 3.7Å; L66-F156 HydrophobicContact CD2-CE2 4.16Å; L66-F156 HydrophobicContact CD2-CG 3.83Å; L66-F156 HydrophobicContact CG-CB 4Å; L66-F156 HydrophobicContact CG-CD2 4.49Å; L66-F156 HydrophobicContact CG-CG 4.18Å; L74-F156 HydrophobicContact CD1-CZ 4.2Å; L74-F156 HydrophobicContact CD2-CZ 3.9Å; L74-F156 HydrophobicContact CG-CZ 4.41Å; L128-F156 HydrophobicContact CD1-CE1 4.31Å; L128-F156 HydrophobicContact CD1-CZ 4.47Å; L128-F156 HydrophobicContact CD2-CE1 4.11Å; Y135-F156 HydrophobicContact CD2-CD1 4.39Å; Y135-F156 HydrophobicContact CD2-CE1 4.32Å; Y135-F156 HydrophobicContact CD2-CZ 4.4Å; Y135-F156 HydrophobicContact CE2-CD2 4.07Å; Y135-F156 HydrophobicContact CE2-CE2 4.12Å; Y135-F156 HydrophobicContact CE2-CG 4.32Å; Y135-F156 HydrophobicContact CE2-CZ 4.42Å; I153-F156 HydrophobicContact CG2-CE2 4Å; I153-F156 HydrophobicContact CG2-CZ 4.39Å; F156-F158 PolarHBondContact O-N 2.85Å; F156-F158 VanDerWaalsContact O-N 3.17Å; F156-A159 HydrophobicContact CB-CB 3.98Å; F156-A159 HydrophobicContact CD1-CB 3.58Å; F156-A159 HydrophobicContact CE1-CB 4.49Å; F156-A159 HydrophobicContact CG-CB 4.15Å; F156-A159 WeakPolarHBondContact O-CB 3.15Å; F156-A159 PolarHBondContact O-N 2.79Å
157G93.8Very high96.2Very high11 Ų1152.6 Ų52.611%0.11325%0.252CS..THydrogen-bonded Turntrans-56.8-31.3-177.500000114.3H58 E62 D155H58-G157 WeakPolarHBondContact CB-O 3.42Å; E62-G157 PolarHBondContact OE1-N 2.82Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact OD1-N 3.47Å
158F95.1Very high96.3Very high55 Ų5551.3 Ų51.324%0.24124%0.241CC..THydrogen-bonded Turntrans-102.31.8173.6-58.1-30.7000113.7Y135 R136 D137 F156 K160 C170Y135-F158 CarbonylContact O-C 3.55Å; R136-F158 HydrophobicContact CB-CB 4.18Å; R136-F158 PolarHBondContact NE-O 2.93Å; R136-F158 PolarHBondContact NH2-O 3.32Å; D137-F158 HydrophobicContact CB-CB 4.42Å; D137-F158 HydrophobicContact CB-CD2 3.71Å; D137-F158 HydrophobicContact CB-CE2 4.47Å; F156-F158 PolarHBondContact O-N 2.85Å; F156-F158 VanDerWaalsContact O-N 3.17Å; F158-K160 PolarHBondContact O-N 2.84Å; F158-C170 HydrophobicContact CD1-CB 4.02Å; F158-C170 HydrophobicContact CD2-CB 4.11Å; F158-C170 HydrophobicContact CE1-CB 4.26Å; F158-C170 HydrophobicContact CE2-CB 4.37Å; F158-C170 HydrophobicContact CG-CB 3.98Å; F158-C170 HydrophobicContact CZ-CB 4.44Å
159A97.4Very high96.2Very high1 Ų151.4 Ų51.41%0.00824%0.244CC..  trans-64.3140.5176.200000110.4I65 I133 I134 Y135 F156I65-A159 VanDerWaalsContact CD1-C 3.41Å; I65-A159 HydrophobicContact CD1-CB 3.66Å; I65-A159 WeakPolarHBondContact CD1-O 3.43Å; I65-A159 HydrophobicContact CG2-CB 4.31Å; I133-A159 HydrophobicContact CG2-CB 4.35Å; I134-A159 CarbonylContact O-C 3.4Å; I134-A159 VanDerWaalsContact O-CA 3.27Å; I134-A159 WeakPolarHBondContact O-CA 3.44Å; Y135-A159 PolarHBondContact O-N 3.32Å; F156-A159 HydrophobicContact CB-CB 3.98Å; F156-A159 HydrophobicContact CD1-CB 3.58Å; F156-A159 HydrophobicContact CE1-CB 4.49Å; F156-A159 HydrophobicContact CG-CB 4.15Å; F156-A159 WeakPolarHBondContact O-CB 3.15Å; F156-A159 PolarHBondContact O-N 2.79Å
160K97Very high96Very high41 Ų4151.9 Ų51.918%0.17825%0.248CC..EExtended strand (participates in β ladder)trans-146.1136.9178.3-169.6167.4-177.8148.40111.2E57 I133 I134 F158 V162E57-K160 IonicContact OE1-NZ 3.54Å; E57-K160 PolarHBondContact OE1-NZ 2.92Å; I133-K160 WeakPolarHBondContact CA-O 3.35Å; I134-K160 PolarHBondContact N-O 2.96Å; I134-K160 PolarHBondContact O-N 3.35Å; F158-K160 PolarHBondContact O-N 2.84Å; K160-V162 HydrophobicContact CB-CG2 4Å; K160-V162 HydrophobicContact CD-CG2 4.13Å; K160-V162 HydrophobicContact CG-CG2 3.73Å; K160-V162 PolarHBondContact O-N 3.38Å
161R97.4Very high95.8Very high145 Ų14552.9 Ų52.955%0.54726%0.258SS..EExtended strand (participates in β ladder)trans-77.7116.7168.2-175.9172.3-97.9-159.3-3109.6L131 D132 I133L131-R161 PolarHBondContact O-NE 3.39Å; L131-R161 PolarHBondContact O-NH2 3.04Å; L131-R161 VanDerWaalsContact O-NH2 3.15Å; D132-R161 HydrophobicContact CB-CG 4.08Å; D132-R161 CarbonylContact O-C 3.48Å; D132-R161 VanDerWaalsContact O-CA 3.23Å; D132-R161 WeakPolarHBondContact O-CA 3.48Å; I133-R161 HydrophobicContact CG1-CB 4.47Å
162V96.4Very high95.6Very high16 Ų1654.1 Ų54.110%0.09727%0.266CS..  trans-135.8113.3-172.4-178.50000110.3D132 I134 K160 T166D132-V162 PolarHBondContact O-N 3.47Å; I134-V162 HydrophobicContact CD1-CB 3.75Å; I134-V162 HydrophobicContact CD1-CG1 4.12Å; I134-V162 HydrophobicContact CD1-CG2 3.95Å; I134-V162 HydrophobicContact CG1-CB 4.27Å; I134-V162 HydrophobicContact CG1-CG2 4.44Å; K160-V162 HydrophobicContact CB-CG2 4Å; K160-V162 HydrophobicContact CD-CG2 4.13Å; K160-V162 HydrophobicContact CG-CG2 3.73Å; K160-V162 PolarHBondContact O-N 3.38Å; V162-T166 HydrophobicContact CG1-CG2 4.42Å; V162-T166 HydrophobicContact CG2-CG2 4.1Å
163K93.8Very high95.5Very high173 Ų17355.2 Ų55.275%0.75227%0.274SS*.SBendtrans-91.2101.7164.3-69.3-177.5177.5-175.60108.7D132D132-K163 HydrophobicContact CB-CG 4.24Å; D132-K163 WeakPolarHBondContact OD2-CE 3.28Å; D132-K163 WeakPolarHBondContact OD2-CG 3.41Å
164G94.9Very high95.5Very high53 Ų5358 Ų5855%0.54629%0.287SS..SBendtrans100.7-107.5-178.900000113N187G164-N187 VanDerWaalsContact O-CB 3.29Å; G164-N187 WeakPolarHBondContact O-CB 3.27Å
165R96.2Very high95.5Very high155 Ų15557.6 Ų57.659%0.58528%0.283SS*.  trans-123.1152.8-171.8-73.3179.8165175.3-2.5113.3W167 G185 Y186R165-W167 HydrophobicContact CB-CH2 3.92Å; R165-W167 HydrophobicContact CB-CZ2 4.12Å; R165-W167 HydrophobicContact CB-CZ3 4.39Å; R165-W167 VanDerWaalsContact O-CZ3 3.23Å; R165-W167 WeakPolarHBondContact O-CZ3 3.34Å; R165-G185 WeakPolarHBondContact CD-O 3.49Å; R165-G185 PolarHBondContact NE-O 2.95Å; R165-Y186 CarbonylContact C-O 3.58Å; R165-Y186 VanDerWaalsContact CA-O 3.24Å; R165-Y186 WeakPolarHBondContact CA-O 3.49Å
166T96.4Very high95.7Very high6 Ų655.4 Ų55.44%0.03727%0.272CS..BIsolated β-bridgetrans-133.8167.1169.5-174.80000109.9I134 V162 G185 Y186I134-T166 HydrophobicContact CD1-CG2 4.48Å; V162-T166 HydrophobicContact CG1-CG2 4.42Å; V162-T166 HydrophobicContact CG2-CG2 4.1Å; T166-G185 CarbonylContact O-C 3.55Å; T166-G185 WeakPolarHBondContact O-CA 3.3Å; T166-Y186 HydrophobicContact CG2-CD1 4.49Å; T166-Y186 HydrophobicContact CG2-CD2 3.79Å; T166-Y186 HydrophobicContact CG2-CE1 4.09Å; T166-Y186 HydrophobicContact CG2-CE2 3.3Å; T166-Y186 HydrophobicContact CG2-CG 4.36Å; T166-Y186 VanDerWaalsContact CG2-CZ 3.47Å; T166-Y186 PolarHBondContact N-O 2.7Å; T166-Y186 WeakPolarHBondContact O-CD1 3.33Å; T166-Y186 PolarHBondContact O-N 3.04Å
167W96.4Very high95.8Very high174 Ų17455.5 Ų55.566%0.65927%0.272SS*.  trans-132.1-8.8-169.7-67.7-98.2000114.9R165 L169R165-W167 HydrophobicContact CB-CH2 3.92Å; R165-W167 HydrophobicContact CB-CZ2 4.12Å; R165-W167 HydrophobicContact CB-CZ3 4.39Å; R165-W167 VanDerWaalsContact O-CZ3 3.23Å; R165-W167 WeakPolarHBondContact O-CZ3 3.34Å; W167-L169 PolarHBondContact O-N 3Å
168T92.8Very high96Very high50 Ų5055 Ų5531%0.30727%0.267SS..  trans-63.8125.9-176.6-46.80000110.7C170 Y186T168-C170 HydrophobicContact CG2-CB 4.4Å; T168-C170 PolarHBondContact O-N 3.02Å; T168-Y186 VanDerWaalsContact O-CE1 3.31Å; T168-Y186 WeakPolarHBondContact O-CE1 3.29Å; T168-Y186 PolarHBondContact O-OH 3.46Å
169L93.7Very high96.2Very high109 Ų10952.6 Ų52.657%0.57126%0.256SS*.  trans-76.6110.2167.9-174.6149.3000108.5W167 I180W167-L169 PolarHBondContact O-N 3Å; L169-I180 HydrophobicContact CG-CG2 4.3Å
170C93.6Very high96.2Very high10 Ų1052.9 Ų52.97%0.06826%0.258CS..  trans-154.4161.2179.4610000109.9R136 F158 T168 L176R136-C170 PolarHBondContact NH1-SG 3Å; F158-C170 HydrophobicContact CD1-CB 4.02Å; F158-C170 HydrophobicContact CD2-CB 4.11Å; F158-C170 HydrophobicContact CE1-CB 4.26Å; F158-C170 HydrophobicContact CE2-CB 4.37Å; F158-C170 HydrophobicContact CG-CB 3.98Å; F158-C170 HydrophobicContact CZ-CB 4.44Å; T168-C170 HydrophobicContact CG2-CB 4.4Å; T168-C170 PolarHBondContact O-N 3.02Å; C170-L176 WeakPolarHBondContact O-CD2 3.42Å
171G93.6Very high96.2Very high23 Ų2352.4 Ų52.424%0.23726%0.257CS..SBendtrans113.7-179.3-175.900000112
172T94.5Very high96.2Very high26 Ų2649.3 Ų49.316%0.1625%0.251CS..  trans-96.2134.3-176.1-57.10000110.2D137 K139 E174 Y175 L176D137-T172 PolarHBondContact OD1-N 3.23Å; D137-T172 PolarHBondContact OD1-OG1 2.89Å; K139-T172 HydrophobicContact CD-CG2 4.26Å; K139-T172 WeakPolarHBondContact CD-OG1 3.3Å; K139-T172 PolarHBondContact NZ-OG1 3.42Å; T172-E174 VanDerWaalsContact C-N 3.33Å; T172-E174 PolarHBondContact O-N 3.48Å; T172-E174 VanDerWaalsContact O-N 3.14Å; T172-Y175 PolarHBondContact O-N 2.97Å; T172-L176 PolarHBondContact O-N 3.46Å
173P96.7Very high96.1Very high35 Ų3553 Ų5323%0.22728%0.277CS..G310 helixtrans-48.6-45-167.4-32.437.4000115.9Y175 L176 I217 Y218 I221P173-Y175 PolarHBondContact O-N 3.15Å; P173-L176 PolarHBondContact O-N 3.14Å; P173-I217 HydrophobicContact CB-CD1 4.36Å; P173-Y218 HydrophobicContact CB-CE1 3.88Å; P173-I221 WeakPolarHBondContact O-CD1 3.29Å
174E97.4Very high96.2Very high58 Ų5850.4 Ų50.427%0.27127%0.266SS..G310 helixtrans-66.4-23.5-178.4-64.778.2-175.800112.9T172 V197 P207 I217T172-E174 VanDerWaalsContact C-N 3.33Å; T172-E174 PolarHBondContact O-N 3.48Å; T172-E174 VanDerWaalsContact O-N 3.14Å; E174-V197 WeakPolarHBondContact O-CG1 3.45Å; E174-P207 HydrophobicContact CB-CB 4.31Å; E174-P207 HydrophobicContact CB-CG 4.41Å; E174-P207 HydrophobicContact CG-CG 4.14Å; E174-I217 HydrophobicContact CG-CD1 4.23Å
175Y98.5Very high96.2Very high17 Ų1748.3 Ų48.37%0.06725%0.245CC..G310 helixtrans-103.5-7.1-173.9-78.3-96.1000113.7L138 K139 P140 T172 P173 A177 A194 V197 L198 E201L138-Y175 WeakPolarHBondContact O-CD1 3.48Å; L138-Y175 WeakPolarHBondContact O-CE1 3.46Å; K139-Y175 HydrophobicContact CB-CD2 4.15Å; K139-Y175 HydrophobicContact CB-CE2 4.03Å; P140-Y175 VanDerWaalsContact CD-OH 3.26Å; P140-Y175 WeakPolarHBondContact CD-OH 3.18Å; T172-Y175 PolarHBondContact O-N 2.97Å; P173-Y175 PolarHBondContact O-N 3.15Å; Y175-A177 PolarHBondContact O-N 2.93Å; Y175-A194 HydrophobicContact CD1-CB 4.18Å; Y175-V197 HydrophobicContact CD1-CB 3.71Å; Y175-V197 HydrophobicContact CD1-CG1 3.58Å; Y175-V197 HydrophobicContact CD2-CG1 4.04Å; Y175-V197 HydrophobicContact CE1-CB 3.75Å; Y175-V197 HydrophobicContact CE1-CG1 3.48Å; Y175-V197 VanDerWaalsContact CE1-CG1 3.48Å; Y175-V197 HydrophobicContact CE2-CG1 3.91Å; Y175-V197 HydrophobicContact CG-CB 4.36Å; Y175-V197 HydrophobicContact CG-CG1 3.86Å; Y175-L198 HydrophobicContact CE1-CB 4.03Å; Y175-E201 WeakPolarHBondContact CE2-OE2 3Å; Y175-E201 PolarHBondContact OH-OE2 2.98Å
176L98.1Very high96.3Very high6 Ų641.1 Ų41.13%0.03122%0.217CC..  trans-63.8133.1-179.4-70.9-179.7000111.7C170 T172 P173 I180 I181 W193 Y218C170-L176 WeakPolarHBondContact O-CD2 3.42Å; T172-L176 PolarHBondContact O-N 3.46Å; P173-L176 PolarHBondContact O-N 3.14Å; L176-I180 HydrophobicContact CD2-CB 4.49Å; L176-I180 HydrophobicContact CD2-CD1 4.18Å; L176-I180 HydrophobicContact CD2-CG2 4.05Å; L176-I181 HydrophobicContact CB-CD1 4.05Å; L176-I181 HydrophobicContact CB-CG1 3.97Å; L176-I181 HydrophobicContact CD1-CG1 4.22Å; L176-W193 PolarHBondContact O-NE1 3.29Å; L176-W193 VanDerWaalsContact O-NE1 3.08Å; L176-Y218 HydrophobicContact CD1-CE1 3.8Å
177A98.3Very high96.3Very high1 Ų142.7 Ų42.71%0.00823%0.226CC..  trans-73.9149.3171.400000111Y175 E179 I180 I181 V190 W193Y175-A177 PolarHBondContact O-N 2.93Å; A177-E179 HydrophobicContact CB-CG 4.36Å; A177-E179 PolarHBondContact O-N 2.61Å; A177-E179 VanDerWaalsContact O-N 3.14Å; A177-I180 HydrophobicContact CB-CD1 4.41Å; A177-I180 HydrophobicContact CB-CG1 4.42Å; A177-I180 PolarHBondContact O-N 2.85Å; A177-I181 PolarHBondContact O-N 3.39Å; A177-V190 HydrophobicContact CB-CB 3.93Å; A177-V190 HydrophobicContact CB-CG1 3.79Å; A177-W193 HydrophobicContact CB-CB 3.95Å; A177-W193 HydrophobicContact CB-CD2 4.37Å; A177-W193 HydrophobicContact CB-CG 3.82Å
178P98.4Very high96.4Very high1 Ų138.4 Ų38.41%0.00621%0.212CC..Hα-helixtrans-53.8-38-178.6-26.833.1000113.8I180 I181 L182 W193 I221 V246P178-I180 VanDerWaalsContact C-N 3.32Å; P178-I180 PolarHBondContact O-N 3.28Å; P178-I181 PolarHBondContact O-N 2.96Å; P178-L182 WeakPolarHBondContact O-CB 3.35Å; P178-L182 VanDerWaalsContact O-CG 3.23Å; P178-L182 WeakPolarHBondContact O-CG 3.26Å; P178-L182 PolarHBondContact O-N 3.33Å; P178-W193 HydrophobicContact CG-CE3 4.23Å; P178-W193 HydrophobicContact CG-CH2 3.6Å; P178-W193 HydrophobicContact CG-CZ2 4.01Å; P178-W193 HydrophobicContact CG-CZ3 3.71Å; P178-I221 HydrophobicContact CB-CG2 4.29Å; P178-I221 HydrophobicContact CG-CG2 3.71Å; P178-V246 HydrophobicContact CB-CG1 4.05Å; P178-V246 HydrophobicContact CG-CB 4.36Å; P178-V246 HydrophobicContact CG-CG1 4.1Å; P178-V246 HydrophobicContact CG-CG2 4.15Å
179E98.2Very high96.7Very high4 Ų436 Ų362%0.01920%0.197CC..Hα-helixtrans-67.5-26.7179.161-91.6-146.600114.2A177 S183 K184 V190 L248 R251A177-E179 HydrophobicContact CB-CG 4.36Å; A177-E179 PolarHBondContact O-N 2.61Å; A177-E179 VanDerWaalsContact O-N 3.14Å; E179-S183 PolarHBondContact O-N 2.61Å; E179-K184 HydrophobicContact CB-CB 4.29Å; E179-K184 WeakPolarHBondContact O-CB 3.28Å; E179-K184 PolarHBondContact O-N 3.15Å; E179-V190 HydrophobicContact CG-CG1 4.03Å; E179-L248 HydrophobicContact CB-CD2 4.19Å; E179-L248 HydrophobicContact CG-CD2 4.24Å; E179-R251 IonicContact OE1-CZ 3.54Å; E179-R251 IonicContact OE1-NH1 3.05Å; E179-R251 PolarHBondContact OE1-NH1 3.02Å; E179-R251 IonicContact OE1-NH2 3.84Å; E179-R251 IonicContact OE2-CZ 2.68Å; E179-R251 IonicContact OE2-NH1 3.39Å; E179-R251 PolarHBondContact OE2-NH1 2.82Å; E179-R251 IonicContact OE2-NH2 2.74Å; E179-R251 PolarHBondContact OE2-NH2 3.23Å
180I97.8Very high96.9Very high8 Ų831.1 Ų31.14%0.04117%0.171CC..Hα-helixtrans-71.9-47.6172.8-58.2176.1000109.3L169 L176 A177 P178 L182 S183 Y186 V190L169-I180 HydrophobicContact CG-CG2 4.3Å; L176-I180 HydrophobicContact CD2-CB 4.49Å; L176-I180 HydrophobicContact CD2-CD1 4.18Å; L176-I180 HydrophobicContact CD2-CG2 4.05Å; A177-I180 HydrophobicContact CB-CD1 4.41Å; A177-I180 HydrophobicContact CB-CG1 4.42Å; A177-I180 PolarHBondContact O-N 2.85Å; P178-I180 VanDerWaalsContact C-N 3.32Å; P178-I180 PolarHBondContact O-N 3.28Å; I180-L182 VanDerWaalsContact C-N 3.29Å; I180-L182 PolarHBondContact O-N 3.01Å; I180-S183 PolarHBondContact O-N 3.05Å; I180-Y186 HydrophobicContact CD1-CD2 4.49Å; I180-Y186 HydrophobicContact CD1-CE2 4.29Å; I180-Y186 HydrophobicContact CG1-CD1 3.83Å; I180-Y186 HydrophobicContact CG1-CD2 4.2Å; I180-Y186 HydrophobicContact CG1-CE1 3.96Å; I180-Y186 HydrophobicContact CG1-CE2 4.31Å; I180-Y186 HydrophobicContact CG1-CG 3.95Å; I180-Y186 HydrophobicContact CG2-CE1 4.43Å; I180-V190 HydrophobicContact CD1-CB 3.96Å; I180-V190 HydrophobicContact CD1-CG1 3.84Å; I180-V190 HydrophobicContact CD1-CG2 4.34Å; I180-V190 HydrophobicContact CG1-CG1 3.88Å
181I97.3Very high97.2Very high31 Ų3130.6 Ų30.616%0.15917%0.168CC..Hα-helixtrans-59.2-43.5179-66.3163.2000110.6L176 A177 P178 S183 Y218 I221 V222L176-I181 HydrophobicContact CB-CD1 4.05Å; L176-I181 HydrophobicContact CB-CG1 3.97Å; L176-I181 HydrophobicContact CD1-CG1 4.22Å; A177-I181 PolarHBondContact O-N 3.39Å; P178-I181 PolarHBondContact O-N 2.96Å; I181-S183 PolarHBondContact O-N 2.95Å; I181-S183 VanDerWaalsContact O-N 3.14Å; I181-Y218 HydrophobicContact CD1-CD1 3.85Å; I181-Y218 HydrophobicContact CD1-CG 4.23Å; I181-Y218 HydrophobicContact CG1-CD1 4.05Å; I181-Y218 HydrophobicContact CG1-CG 4.29Å; I181-Y218 HydrophobicContact CG2-CG 4.16Å; I181-I221 HydrophobicContact CD1-CB 3.81Å; I181-I221 HydrophobicContact CD1-CD1 3.81Å; I181-I221 HydrophobicContact CD1-CG1 4.41Å; I181-I221 HydrophobicContact CD1-CG2 3.46Å; I181-I221 VanDerWaalsContact CD1-CG2 3.46Å; I181-V222 HydrophobicContact CB-CG2 4.38Å; I181-V222 HydrophobicContact CG2-CG2 3.92Å
182L96.4Very high97.4Very high80 Ų8029.7 Ų29.742%0.41916%0.157SC..THydrogen-bonded Turntrans-76.39.3178-64.4173.3000113.5P178 I180 K184 V222P178-L182 WeakPolarHBondContact O-CB 3.35Å; P178-L182 VanDerWaalsContact O-CG 3.23Å; P178-L182 WeakPolarHBondContact O-CG 3.26Å; P178-L182 PolarHBondContact O-N 3.33Å; I180-L182 VanDerWaalsContact C-N 3.29Å; I180-L182 PolarHBondContact O-N 3.01Å; L182-K184 HydrophobicContact CB-CD 4.36Å; L182-K184 HydrophobicContact CB-CG 4.2Å; L182-K184 PolarHBondContact O-N 2.87Å; L182-K184 VanDerWaalsContact O-N 3.15Å; L182-V222 HydrophobicContact CD1-CG1 4.32Å; L182-V222 HydrophobicContact CD2-CG1 4.26Å; L182-V222 HydrophobicContact CD2-CG2 4.26Å; L182-V222 HydrophobicContact CG-CG2 4.21Å
183S95.2Very high97.6Very high93 Ų9328.4 Ų28.465%0.6515%0.15SC*.THydrogen-bonded Turntrans53.934.5177.6-58.90000113.7E179 I180 I181E179-S183 PolarHBondContact O-N 2.61Å; I180-S183 PolarHBondContact O-N 3.05Å; I181-S183 PolarHBondContact O-N 2.95Å; I181-S183 VanDerWaalsContact O-N 3.14Å
184K95.4Very high97.7Very high118 Ų11827.1 Ų27.151%0.51314%0.142SC..  trans-87.3152.7176.2-63.9179-179.7174.70109.8E179 L182 Y186E179-K184 HydrophobicContact CB-CB 4.29Å; E179-K184 WeakPolarHBondContact O-CB 3.28Å; E179-K184 PolarHBondContact O-N 3.15Å; L182-K184 HydrophobicContact CB-CD 4.36Å; L182-K184 HydrophobicContact CB-CG 4.2Å; L182-K184 PolarHBondContact O-N 2.87Å; L182-K184 VanDerWaalsContact O-N 3.15Å; K184-Y186 WeakPolarHBondContact O-CD1 3.36Å; K184-Y186 PolarHBondContact O-N 3.32Å; K184-Y186 VanDerWaalsContact O-N 3.15Å
185G95.4Very high97.8Very high10 Ų1024.3 Ų24.310%0.10313%0.129CC..  trans-62.4117.1166.300000109.9R165 T166R165-G185 WeakPolarHBondContact CD-O 3.49Å; R165-G185 PolarHBondContact NE-O 2.95Å; T166-G185 CarbonylContact O-C 3.55Å; T166-G185 WeakPolarHBondContact O-CA 3.3Å
186Y97.6Very high97.8Very high3 Ų323.5 Ų23.51%0.01213%0.126CC..BIsolated β-bridgetrans-115.6164-173.365.6-93.9000112R136 R165 T166 T168 I180 K184 V190R136-Y186 WeakPolarHBondContact CD-OH 3.33Å; R136-Y186 PolarHBondContact NH1-OH 3.47Å; R165-Y186 CarbonylContact C-O 3.58Å; R165-Y186 VanDerWaalsContact CA-O 3.24Å; R165-Y186 WeakPolarHBondContact CA-O 3.49Å; T166-Y186 HydrophobicContact CG2-CD1 4.49Å; T166-Y186 HydrophobicContact CG2-CD2 3.79Å; T166-Y186 HydrophobicContact CG2-CE1 4.09Å; T166-Y186 HydrophobicContact CG2-CE2 3.3Å; T166-Y186 HydrophobicContact CG2-CG 4.36Å; T166-Y186 VanDerWaalsContact CG2-CZ 3.47Å; T166-Y186 PolarHBondContact N-O 2.7Å; T166-Y186 WeakPolarHBondContact O-CD1 3.33Å; T166-Y186 PolarHBondContact O-N 3.04Å; T168-Y186 VanDerWaalsContact O-CE1 3.31Å; T168-Y186 WeakPolarHBondContact O-CE1 3.29Å; T168-Y186 PolarHBondContact O-OH 3.46Å; I180-Y186 HydrophobicContact CD1-CD2 4.49Å; I180-Y186 HydrophobicContact CD1-CE2 4.29Å; I180-Y186 HydrophobicContact CG1-CD1 3.83Å; I180-Y186 HydrophobicContact CG1-CD2 4.2Å; I180-Y186 HydrophobicContact CG1-CE1 3.96Å; I180-Y186 HydrophobicContact CG1-CE2 4.31Å; I180-Y186 HydrophobicContact CG1-CG 3.95Å; I180-Y186 HydrophobicContact CG2-CE1 4.43Å; K184-Y186 WeakPolarHBondContact O-CD1 3.36Å; K184-Y186 PolarHBondContact O-N 3.32Å; K184-Y186 VanDerWaalsContact O-N 3.15Å; Y186-V190 HydrophobicContact CD2-CB 4.41Å; Y186-V190 HydrophobicContact CD2-CG1 3.55Å; Y186-V190 HydrophobicContact CD2-CG2 3.98Å; Y186-V190 HydrophobicContact CE2-CG1 4.37Å; Y186-V190 HydrophobicContact CE2-CG2 4.16Å; Y186-V190 HydrophobicContact CG-CG1 3.96Å
187N97.2Very high97.8Very high39 Ų3923.2 Ų23.221%0.20912%0.124CC..  trans-131-163.9-177.172.8-3.2000110.5G164 A189 V190 N254G164-N187 VanDerWaalsContact O-CB 3.29Å; G164-N187 WeakPolarHBondContact O-CB 3.27Å; N187-A189 PolarHBondContact O-N 3.43Å; N187-A189 WeakPolarHBondContact OD1-CB 3.35Å; N187-A189 PolarHBondContact OD1-N 2.9Å; N187-V190 WeakPolarHBondContact O-CG2 3.39Å; N187-V190 PolarHBondContact O-N 3.32Å; N187-N254 PolarHBondContact ND2-OD1 3.09Å
188K98.2Very high97.9Very high85 Ų8523.2 Ų23.237%0.3712%0.124SC..THydrogen-bonded Turntrans-57.2-13178.766.5179.2178.9178.20116.1H129 I134 V190 D191H129-K188 HydrophobicContact CB-CD 3.94Å; H129-K188 PolarHBondContact CE1-O 2.8Å; I134-K188 HydrophobicContact CG1-CB 4.22Å; K188-V190 PolarHBondContact O-N 2.88Å; K188-V190 VanDerWaalsContact O-N 3.16Å; K188-D191 PolarHBondContact O-N 3.03Å
189A98.4Very high97.9Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-61.7-19.7176.600000113.9N187 W192 W193 R251 N254N187-A189 PolarHBondContact O-N 3.43Å; N187-A189 WeakPolarHBondContact OD1-CB 3.35Å; N187-A189 PolarHBondContact OD1-N 2.9Å; A189-W192 PolarHBondContact O-N 2.98Å; A189-W193 PolarHBondContact O-N 3Å; A189-W193 VanDerWaalsContact O-N 3.16Å; A189-R251 WeakPolarHBondContact O-CD 3.38Å; A189-R251 PolarHBondContact O-NH1 3.4Å; A189-N254 HydrophobicContact CB-CB 3.8Å
190V98.6Very high97.9Very high5 Ų523.3 Ų23.33%0.0312%0.124CC..Hα-helixtrans-69.9-33.2178-55.40000112.2I134 R136 A177 E179 I180 Y186 N187 K188 W192 W193 A194I134-V190 HydrophobicContact CG2-CG2 3.87Å; R136-V190 HydrophobicContact CG-CG2 4.37Å; A177-V190 HydrophobicContact CB-CB 3.93Å; A177-V190 HydrophobicContact CB-CG1 3.79Å; E179-V190 HydrophobicContact CG-CG1 4.03Å; I180-V190 HydrophobicContact CD1-CB 3.96Å; I180-V190 HydrophobicContact CD1-CG1 3.84Å; I180-V190 HydrophobicContact CD1-CG2 4.34Å; I180-V190 HydrophobicContact CG1-CG1 3.88Å; Y186-V190 HydrophobicContact CD2-CB 4.41Å; Y186-V190 HydrophobicContact CD2-CG1 3.55Å; Y186-V190 HydrophobicContact CD2-CG2 3.98Å; Y186-V190 HydrophobicContact CE2-CG1 4.37Å; Y186-V190 HydrophobicContact CE2-CG2 4.16Å; Y186-V190 HydrophobicContact CG-CG1 3.96Å; N187-V190 WeakPolarHBondContact O-CG2 3.39Å; N187-V190 PolarHBondContact O-N 3.32Å; K188-V190 PolarHBondContact O-N 2.88Å; K188-V190 VanDerWaalsContact O-N 3.16Å; V190-W192 VanDerWaalsContact C-N 3.34Å; V190-W193 WeakPolarHBondContact O-CB 3.33Å; V190-W193 PolarHBondContact O-N 3.05Å; V190-A194 PolarHBondContact O-N 3.09Å
191D98.8Very high98Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-67.2-38.2175.7-72.2-19000110.5F125 H129 I134 Y135 R136 K188 A194 L195F125-D191 HydrophobicContact CD1-CB 4.5Å; F125-D191 HydrophobicContact CD2-CB 3.95Å; F125-D191 HydrophobicContact CE1-CB 4.28Å; F125-D191 HydrophobicContact CE2-CB 3.72Å; F125-D191 VanDerWaalsContact CE2-O 3.26Å; F125-D191 WeakPolarHBondContact CE2-O 3.37Å; F125-D191 HydrophobicContact CG-CB 4.34Å; F125-D191 HydrophobicContact CZ-CB 3.89Å; H129-D191 IonicContact CD2-OD2 3.37Å; H129-D191 IonicContact CE1-OD2 2.67Å; H129-D191 IonicContact NE2-OD2 2.71Å; H129-D191 PolarHBondContact NE2-OD2 3.2Å; I134-D191 VanDerWaalsContact CG2-OD2 3.27Å; I134-D191 WeakPolarHBondContact CG2-OD2 3.31Å; Y135-D191 PolarHBondContact N-OD1 3.29Å; Y135-D191 PolarHBondContact N-OD2 3.15Å; R136-D191 PolarHBondContact N-OD1 3.43Å; K188-D191 PolarHBondContact O-N 3.03Å; D191-A194 PolarHBondContact O-N 3.49Å; D191-L195 PolarHBondContact O-N 3.24Å
192W98.9Very high98Very high3 Ų321.8 Ų21.81%0.01112%0.116CC..Hα-helixtrans-69.2-32.4176.4-60.1121.5000113.2V122 F125 H129 A189 V190 L195 G196 L243 Y252 G253 V259 I262V122-W192 HydrophobicContact CG1-CZ3 4.5Å; V122-W192 HydrophobicContact CG2-CZ3 4.29Å; F125-W192 HydrophobicContact CB-CH2 3.56Å; F125-W192 HydrophobicContact CB-CZ2 3.99Å; F125-W192 HydrophobicContact CB-CZ3 3.93Å; F125-W192 HydrophobicContact CD2-CE3 4.02Å; F125-W192 HydrophobicContact CD2-CH2 4.39Å; F125-W192 AromaticContact CD2-CZ3 3.91Å; F125-W192 HydrophobicContact CD2-CZ3 3.91Å; F125-W192 HydrophobicContact CG-CZ3 4.46Å; H129-W192 AromaticContact CE1-CE2 3.64Å; H129-W192 AromaticContact CE1-CZ2 3.89Å; H129-W192 AromaticContact CE1-NE1 3.43Å; H129-W192 PolarHBondContact CE1-NE1 2.7Å; H129-W192 AromaticContact ND1-CE2 3.67Å; H129-W192 AromaticContact ND1-CZ2 3.65Å; H129-W192 AromaticContact ND1-NE1 3.4Å; H129-W192 PolarHBondContact ND1-NE1 2.94Å; A189-W192 PolarHBondContact O-N 2.98Å; V190-W192 VanDerWaalsContact C-N 3.34Å; W192-L195 HydrophobicContact CE3-CD2 3.76Å; W192-L195 HydrophobicContact CZ3-CD2 3.89Å; W192-G196 PolarHBondContact O-N 3.41Å; W192-L243 HydrophobicContact CB-CD2 4.35Å; W192-Y252 WeakPolarHBondContact CB-O 3.13Å; W192-G253 PolarHBondContact NE1-O 2.8Å; W192-V259 HydrophobicContact CH2-CB 4.2Å; W192-V259 HydrophobicContact CH2-CG2 3.53Å; W192-V259 HydrophobicContact CZ2-CB 4.14Å; W192-V259 HydrophobicContact CZ2-CG2 3.98Å; W192-V259 HydrophobicContact CZ3-CG2 4.34Å; W192-I262 HydrophobicContact CD2-CD1 3.7Å; W192-I262 HydrophobicContact CE3-CD1 3.27Å; W192-I262 HydrophobicContact CG-CD1 4.37Å; W192-I262 HydrophobicContact CH2-CD1 4.2Å; W192-I262 HydrophobicContact CZ3-CD1 3.55Å
193W98.9Very high98.1Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-62.6-49.6168.2173-83.9000110.8L176 A177 P178 A189 V190 L195 G196 V197 F209 I221 L244 V246L176-W193 PolarHBondContact O-NE1 3.29Å; L176-W193 VanDerWaalsContact O-NE1 3.08Å; A177-W193 HydrophobicContact CB-CB 3.95Å; A177-W193 HydrophobicContact CB-CD2 4.37Å; A177-W193 HydrophobicContact CB-CG 3.82Å; P178-W193 HydrophobicContact CG-CE3 4.23Å; P178-W193 HydrophobicContact CG-CH2 3.6Å; P178-W193 HydrophobicContact CG-CZ2 4.01Å; P178-W193 HydrophobicContact CG-CZ3 3.71Å; A189-W193 PolarHBondContact O-N 3Å; A189-W193 VanDerWaalsContact O-N 3.16Å; V190-W193 WeakPolarHBondContact O-CB 3.33Å; V190-W193 PolarHBondContact O-N 3.05Å; W193-L195 PolarHBondContact O-N 3.14Å; W193-G196 WeakPolarHBondContact O-CA 3.37Å; W193-G196 PolarHBondContact O-N 3.28Å; W193-V197 PolarHBondContact O-N 2.95Å; W193-F209 AromaticContact CH2-CE2 3.99Å; W193-F209 HydrophobicContact CH2-CE2 3.99Å; W193-F209 AromaticContact CH2-CZ 4Å; W193-F209 HydrophobicContact CH2-CZ 4Å; W193-F209 HydrophobicContact CZ2-CD2 4.25Å; W193-F209 AromaticContact CZ2-CE2 3.41Å; W193-F209 HydrophobicContact CZ2-CE2 3.41Å; W193-F209 VanDerWaalsContact CZ2-CE2 3.41Å; W193-F209 AromaticContact CZ2-CZ 3.88Å; W193-F209 HydrophobicContact CZ2-CZ 3.88Å; W193-I221 HydrophobicContact CH2-CG2 4.29Å; W193-I221 HydrophobicContact CZ2-CG2 3.7Å; W193-L244 HydrophobicContact CD2-CD2 3.97Å; W193-L244 HydrophobicContact CE3-CB 4.47Å; W193-L244 HydrophobicContact CE3-CD2 4.25Å; W193-L244 HydrophobicContact CG-CD2 4.41Å; W193-L244 HydrophobicContact CH2-CB 4.43Å; W193-L244 HydrophobicContact CZ2-CD2 4.22Å; W193-L244 HydrophobicContact CZ3-CB 4.21Å; W193-L244 WeakPolarHBondContact CZ3-O 3.37Å; W193-V246 HydrophobicContact CH2-CG2 4.36Å; W193-V246 HydrophobicContact CZ3-CG2 4.33Å
194A98.9Very high98.3Very high7 Ų714.1 Ų14.16%0.0587%0.069CC..Hα-helixtrans-61.3-33.6179.700000112.1L138 Y175 V190 D191 G196 V197 L198L138-A194 HydrophobicContact CB-CB 3.9Å; L138-A194 HydrophobicContact CD2-CB 4.09Å; Y175-A194 HydrophobicContact CD1-CB 4.18Å; V190-A194 PolarHBondContact O-N 3.09Å; D191-A194 PolarHBondContact O-N 3.49Å; A194-G196 VanDerWaalsContact C-N 3.34Å; A194-G196 PolarHBondContact O-N 3.27Å; A194-V197 PolarHBondContact O-N 3.45Å; A194-L198 WeakPolarHBondContact O-CB 3.2Å; A194-L198 PolarHBondContact O-N 2.89Å
195L98.9Very high98.4Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-60.6-42.1169.3176.964.4000111.8A118 I121 V122 F125 L138 D191 W192 W193 V197 L198 I199 L243A118-L195 HydrophobicContact CB-CD1 4.48Å; I121-L195 HydrophobicContact CB-CD1 4.04Å; I121-L195 HydrophobicContact CG2-CD1 3.86Å; V122-L195 HydrophobicContact CG2-CD2 3.56Å; F125-L195 HydrophobicContact CE2-CB 4.22Å; L138-L195 HydrophobicContact CD2-CB 4.3Å; D191-L195 PolarHBondContact O-N 3.24Å; W192-L195 HydrophobicContact CE3-CD2 3.76Å; W192-L195 HydrophobicContact CZ3-CD2 3.89Å; W193-L195 PolarHBondContact O-N 3.14Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V197 PolarHBondContact O-N 3.39Å; L195-L198 PolarHBondContact O-N 3.02Å; L195-I199 HydrophobicContact CD1-CD1 3.91Å; L195-I199 HydrophobicContact CD1-CG1 4.05Å; L195-I199 HydrophobicContact CD2-CD1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.84Å; L195-I199 HydrophobicContact CG-CG1 4.38Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.34Å; L195-I199 PolarHBondContact O-N 3.35Å; L195-L243 HydrophobicContact CD2-CD1 4.34Å; L195-L243 HydrophobicContact CG-CD1 4.29Å
196G98.9Very high98.5Very high0 Ų012.9 Ų12.90%06%0.063CC..Hα-helixtrans-60.8-41.2174.300000112.5W192 W193 A194 Y200 L240W192-G196 PolarHBondContact O-N 3.41Å; W193-G196 WeakPolarHBondContact O-CA 3.37Å; W193-G196 PolarHBondContact O-N 3.28Å; A194-G196 VanDerWaalsContact C-N 3.34Å; A194-G196 PolarHBondContact O-N 3.27Å; G196-Y200 WeakPolarHBondContact O-CB 3.36Å; G196-Y200 PolarHBondContact O-N 2.89Å; G196-Y200 VanDerWaalsContact O-N 3.09Å; G196-L240 WeakPolarHBondContact O-CD2 3.19Å
197V98.9Very high98.6Very high0 Ų013.4 Ų13.40%07%0.066CC..Hα-helixtrans-63.9-46.1175.9179.90000110E174 Y175 W193 A194 L195 Y200 E201 P207 P208 L244E174-V197 WeakPolarHBondContact O-CG1 3.45Å; Y175-V197 HydrophobicContact CD1-CB 3.71Å; Y175-V197 HydrophobicContact CD1-CG1 3.58Å; Y175-V197 HydrophobicContact CD2-CG1 4.04Å; Y175-V197 HydrophobicContact CE1-CB 3.75Å; Y175-V197 HydrophobicContact CE1-CG1 3.48Å; Y175-V197 VanDerWaalsContact CE1-CG1 3.48Å; Y175-V197 HydrophobicContact CE2-CG1 3.91Å; Y175-V197 HydrophobicContact CG-CB 4.36Å; Y175-V197 HydrophobicContact CG-CG1 3.86Å; W193-V197 PolarHBondContact O-N 2.95Å; A194-V197 PolarHBondContact O-N 3.45Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V197 PolarHBondContact O-N 3.39Å; V197-Y200 PolarHBondContact O-N 3.24Å; V197-E201 WeakPolarHBondContact O-CB 3.47Å; V197-E201 PolarHBondContact O-N 2.88Å; V197-P207 HydrophobicContact CG1-CB 4.44Å; V197-P208 HydrophobicContact CB-CG 4.44Å; V197-P208 HydrophobicContact CG1-CG 4.17Å; V197-P208 HydrophobicContact CG2-CG 4.3Å; V197-L244 HydrophobicContact CG2-CD2 3.66Å
198L98.9Very high98.6Very high1 Ų112.3 Ų12.31%0.0056%0.061CC..Hα-helixtrans-61.4-47.7179.7-176.868.6000112.3I121 L138 P140 L143 Y175 A194 L195 Y200 E201 M202I121-L198 HydrophobicContact CG1-CD2 4.06Å; L138-L198 HydrophobicContact CD1-CD2 4.08Å; L138-L198 HydrophobicContact CD2-CB 4.15Å; L138-L198 HydrophobicContact CD2-CD2 3.91Å; L138-L198 HydrophobicContact CG-CD2 4.09Å; P140-L198 HydrophobicContact CG-CD1 3.88Å; L143-L198 HydrophobicContact CD1-CD1 4.03Å; L143-L198 HydrophobicContact CD1-CD2 3.63Å; L143-L198 HydrophobicContact CD1-CG 4.47Å; Y175-L198 HydrophobicContact CE1-CB 4.03Å; A194-L198 WeakPolarHBondContact O-CB 3.2Å; A194-L198 PolarHBondContact O-N 2.89Å; L195-L198 PolarHBondContact O-N 3.02Å; L198-Y200 VanDerWaalsContact C-N 3.33Å; L198-Y200 PolarHBondContact O-N 3.19Å; L198-E201 PolarHBondContact O-N 3.38Å; L198-M202 HydrophobicContact CD1-CG 4.5Å; L198-M202 HydrophobicContact CD2-CE 4.5Å; L198-M202 HydrophobicContact CG-CE 4.11Å; L198-M202 HydrophobicContact CG-SD 4.42Å; L198-M202 WeakPolarHBondContact O-CB 3.18Å; L198-M202 WeakPolarHBondContact O-CG 3.33Å; L198-M202 PolarHBondContact O-N 2.66Å
199I98.9Very high98.6Very high0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-61.3-44.5178.1-67.9169.1000110.3A118 L195 E201 M202 D203 L236 L239 L240 L243 W267A118-I199 HydrophobicContact CB-CD1 3.88Å; A118-I199 HydrophobicContact CB-CG1 3.73Å; L195-I199 HydrophobicContact CD1-CD1 3.91Å; L195-I199 HydrophobicContact CD1-CG1 4.05Å; L195-I199 HydrophobicContact CD2-CD1 4.45Å; L195-I199 HydrophobicContact CG-CD1 3.84Å; L195-I199 HydrophobicContact CG-CG1 4.38Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.34Å; L195-I199 PolarHBondContact O-N 3.35Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-E201 PolarHBondContact O-N 3.06Å; I199-M202 HydrophobicContact CG1-CE 4.22Å; I199-M202 PolarHBondContact O-N 3.46Å; I199-D203 PolarHBondContact O-N 3.33Å; I199-D203 VanDerWaalsContact O-N 3.15Å; I199-D203 VanDerWaalsContact O-OD2 3.12Å; I199-L236 HydrophobicContact CG2-CD1 3.56Å; I199-L239 HydrophobicContact CD1-CD2 4.13Å; I199-L240 HydrophobicContact CB-CD2 3.98Å; I199-L240 HydrophobicContact CG2-CD2 3.9Å; I199-L243 HydrophobicContact CD1-CD1 3.97Å; I199-W267 HydrophobicContact CD1-CZ3 4.32Å; I199-W267 HydrophobicContact CG2-CH2 3.92Å; I199-W267 HydrophobicContact CG2-CZ2 4.32Å; I199-W267 HydrophobicContact CG2-CZ3 4.41Å
200Y98.9Very high98.4Very high6 Ų613.7 Ų13.72%0.0247%0.067CC..Hα-helixtrans-58.8-48.4175.6-175.4-68.9000110.6G196 V197 L198 D203 A204 Y206 P208 I226 R227 F228 F232 L240G196-Y200 WeakPolarHBondContact O-CB 3.36Å; G196-Y200 PolarHBondContact O-N 2.89Å; G196-Y200 VanDerWaalsContact O-N 3.09Å; V197-Y200 PolarHBondContact O-N 3.24Å; L198-Y200 VanDerWaalsContact C-N 3.33Å; L198-Y200 PolarHBondContact O-N 3.19Å; Y200-D203 PolarHBondContact O-N 3.03Å; Y200-A204 HydrophobicContact CD1-CB 3.85Å; Y200-A204 HydrophobicContact CE1-CB 3.59Å; Y200-A204 WeakPolarHBondContact O-CB 2.86Å; Y200-A204 PolarHBondContact O-N 2.99Å; Y200-Y206 VanDerWaalsContact CD1-O 3.23Å; Y200-Y206 WeakPolarHBondContact CD1-O 3.41Å; Y200-Y206 AromaticContact CE1-CD2 4Å; Y200-Y206 HydrophobicContact CE1-CD2 4Å; Y200-Y206 AromaticContact CE1-CE2 3.77Å; Y200-Y206 HydrophobicContact CE1-CE2 3.77Å; Y200-Y206 VanDerWaalsContact CE1-O 3.29Å; Y200-Y206 WeakPolarHBondContact CE1-O 3.23Å; Y200-Y206 WeakPolarHBondContact OH-CE2 3.46Å; Y200-P208 HydrophobicContact CD1-CB 3.82Å; Y200-P208 VanDerWaalsContact CD1-CD 3.49Å; Y200-P208 HydrophobicContact CD1-CG 4.15Å; Y200-P208 HydrophobicContact CD2-CB 3.73Å; Y200-P208 HydrophobicContact CD2-CG 4.39Å; Y200-P208 HydrophobicContact CE1-CB 4.01Å; Y200-P208 HydrophobicContact CE2-CB 3.89Å; Y200-P208 HydrophobicContact CG-CB 3.71Å; Y200-P208 HydrophobicContact CG-CG 3.98Å; Y200-I226 HydrophobicContact CD2-CG2 4.26Å; Y200-I226 HydrophobicContact CE2-CG2 3.82Å; Y200-R227 WeakPolarHBondContact CE2-O 3.23Å; Y200-R227 PolarHBondContact OH-O 2.91Å; Y200-F228 HydrophobicContact CD2-CD1 4.21Å; Y200-F228 HydrophobicContact CD2-CE1 4.23Å; Y200-F228 AromaticContact CE2-CD1 3.93Å; Y200-F228 HydrophobicContact CE2-CD1 3.93Å; Y200-F228 HydrophobicContact CE2-CE1 4.27Å; Y200-F232 AromaticContact CD2-CE2 3.98Å; Y200-F232 HydrophobicContact CD2-CE2 3.98Å; Y200-F232 HydrophobicContact CE2-CE2 4.21Å; Y200-F232 HydrophobicContact CG-CE2 4.4Å; Y200-L240 HydrophobicContact CD2-CD1 4.06Å
201E98.8Very high98.3Very high7 Ų714.6 Ų14.63%0.0338%0.075CC..Hα-helixtrans-64.9-40.9-176.8-176.4163.3-160.600112.7L103 R104 Y175 V197 L198 I199 D203 G205 Y206L103-E201 HydrophobicContact CD2-CG 3.98Å; R104-E201 IonicContact CZ-OE1 3.7Å; R104-E201 IonicContact NH2-OE1 2.73Å; R104-E201 PolarHBondContact NH2-OE1 3.49Å; Y175-E201 WeakPolarHBondContact CE2-OE2 3Å; Y175-E201 PolarHBondContact OH-OE2 2.98Å; V197-E201 WeakPolarHBondContact O-CB 3.47Å; V197-E201 PolarHBondContact O-N 2.88Å; L198-E201 PolarHBondContact O-N 3.38Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-E201 PolarHBondContact O-N 3.06Å; E201-D203 PolarHBondContact O-N 3.22Å; E201-G205 VanDerWaalsContact O-CA 3.24Å; E201-G205 WeakPolarHBondContact O-CA 3.36Å; E201-G205 PolarHBondContact O-N 2.78Å; E201-Y206 WeakPolarHBondContact CA-O 3.37Å
202M98.8Very high98.1Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-58.7-47.5174.8-74.6-170.8-60.200111.6M99 F109 G114 Y117 A118 L198 I199M99-M202 HydrophobicContact CE-SD 4.42Å; M99-M202 HydrophobicContact SD-CG 4.27Å; M99-M202 HydrophobicContact SD-SD 3.76Å; F109-M202 HydrophobicContact CD2-CB 3.91Å; F109-M202 HydrophobicContact CD2-CG 3.89Å; F109-M202 HydrophobicContact CD2-SD 4.08Å; F109-M202 HydrophobicContact CE2-CG 4.19Å; F109-M202 HydrophobicContact CE2-SD 4.32Å; F109-M202 PolarHBondContact N-O 2.87Å; G114-M202 WeakPolarHBondContact O-CE 3.48Å; Y117-M202 HydrophobicContact CD2-SD 4.04Å; A118-M202 HydrophobicContact CB-CE 4.29Å; L198-M202 HydrophobicContact CD1-CG 4.5Å; L198-M202 HydrophobicContact CD2-CE 4.5Å; L198-M202 HydrophobicContact CG-CE 4.11Å; L198-M202 HydrophobicContact CG-SD 4.42Å; L198-M202 WeakPolarHBondContact O-CB 3.18Å; L198-M202 WeakPolarHBondContact O-CG 3.33Å; L198-M202 PolarHBondContact O-N 2.66Å; I199-M202 HydrophobicContact CG1-CE 4.22Å; I199-M202 PolarHBondContact O-N 3.46Å
203D98.5Very high98Very high3 Ų327 Ų272%0.01614%0.138CC..Hα-helixtrans-84.9-22.1-171.8-70.3-128.1000113R108 E111 I199 Y200 E201 H231 F232 L236R108-D203 WeakPolarHBondContact CD-O 3.31Å; E111-D203 VanDerWaalsContact CA-OD1 3.25Å; E111-D203 WeakPolarHBondContact CA-OD1 3.15Å; E111-D203 WeakPolarHBondContact CG-OD1 3.4Å; I199-D203 PolarHBondContact O-N 3.33Å; I199-D203 VanDerWaalsContact O-N 3.15Å; I199-D203 VanDerWaalsContact O-OD2 3.12Å; Y200-D203 PolarHBondContact O-N 3.03Å; E201-D203 PolarHBondContact O-N 3.22Å; D203-H231 PolarHBondContact O-NE2 3.49Å; D203-H231 VanDerWaalsContact O-NE2 3.12Å; D203-F232 HydrophobicContact CB-CE1 3.71Å; D203-F232 HydrophobicContact CB-CZ 3.74Å; D203-F232 WeakPolarHBondContact O-CE1 3.43Å; D203-L236 HydrophobicContact CB-CD2 3.92Å; D203-L236 WeakPolarHBondContact OD1-CD2 3.34Å
204A98.5Very high97.8Very high9 Ų929.8 Ų29.87%0.07416%0.156CC..Hα-helixtrans-96.8-30.7176.900000113.7Y200 Y206 P229 F232Y200-A204 HydrophobicContact CD1-CB 3.85Å; Y200-A204 HydrophobicContact CE1-CB 3.59Å; Y200-A204 WeakPolarHBondContact O-CB 2.86Å; Y200-A204 PolarHBondContact O-N 2.99Å; A204-Y206 HydrophobicContact CB-CD1 4.09Å; A204-Y206 HydrophobicContact CB-CE1 3.91Å; A204-Y206 HydrophobicContact CB-CE2 4.34Å; A204-Y206 HydrophobicContact CB-CG 4.4Å; A204-Y206 WeakPolarHBondContact O-CD1 3.41Å; A204-P229 HydrophobicContact CB-CG 4.09Å; A204-F232 HydrophobicContact CB-CE1 4.14Å; A204-F232 HydrophobicContact CB-CZ 3.82Å
205G98.2Very high97.7Very high11 Ų1134.5 Ų34.511%0.11318%0.18CC..SBendtrans87.40.7-169.500000114.8R104 G107 E201R104-G205 PolarHBondContact NH1-O 3.38Å; G107-G205 WeakPolarHBondContact O-CA 3.34Å; E201-G205 VanDerWaalsContact O-CA 3.24Å; E201-G205 WeakPolarHBondContact O-CA 3.36Å; E201-G205 PolarHBondContact O-N 2.78Å
206Y97.8Very high97.6Very high92 Ų9238.3 Ų38.336%0.36120%0.197SC..SBendtrans-152.3151.2179.557.4-91.5000110Y200 E201 A204 F210Y200-Y206 VanDerWaalsContact CD1-O 3.23Å; Y200-Y206 WeakPolarHBondContact CD1-O 3.41Å; Y200-Y206 AromaticContact CE1-CD2 4Å; Y200-Y206 HydrophobicContact CE1-CD2 4Å; Y200-Y206 AromaticContact CE1-CE2 3.77Å; Y200-Y206 HydrophobicContact CE1-CE2 3.77Å; Y200-Y206 VanDerWaalsContact CE1-O 3.29Å; Y200-Y206 WeakPolarHBondContact CE1-O 3.23Å; Y200-Y206 WeakPolarHBondContact OH-CE2 3.46Å; E201-Y206 WeakPolarHBondContact CA-O 3.37Å; A204-Y206 HydrophobicContact CB-CD1 4.09Å; A204-Y206 HydrophobicContact CB-CE1 3.91Å; A204-Y206 HydrophobicContact CB-CE2 4.34Å; A204-Y206 HydrophobicContact CB-CG 4.4Å; A204-Y206 WeakPolarHBondContact O-CD1 3.41Å; Y206-F210 HydrophobicContact CD2-CD1 4.24Å; Y206-F210 AromaticContact CD2-CE1 3.8Å; Y206-F210 HydrophobicContact CD2-CE1 3.8Å; Y206-F210 HydrophobicContact CE2-CE1 4.16Å
207P98.2Very high97.6Very high14 Ų1438.5 Ų38.59%0.09120%0.198CC..  trans-71.5155.5-177.928.6-32.7000111.8E174 V197 F209 F210E174-P207 HydrophobicContact CB-CB 4.31Å; E174-P207 HydrophobicContact CB-CG 4.41Å; E174-P207 HydrophobicContact CG-CG 4.14Å; V197-P207 HydrophobicContact CG1-CB 4.44Å; P207-F209 PolarHBondContact O-N 3.08Å; P207-F210 HydrophobicContact CG-CB 4.2Å; P207-F210 WeakPolarHBondContact O-CD1 3.48Å
208P98.4Very high97.5Very high15 Ų1541.2 Ų41.210%0.09721%0.209CC..SBendtrans-65.3-26.7-178.123.6-31.5000113.4V197 Y200 I226 L244V197-P208 HydrophobicContact CB-CG 4.44Å; V197-P208 HydrophobicContact CG1-CG 4.17Å; V197-P208 HydrophobicContact CG2-CG 4.3Å; Y200-P208 HydrophobicContact CD1-CB 3.82Å; Y200-P208 VanDerWaalsContact CD1-CD 3.49Å; Y200-P208 HydrophobicContact CD1-CG 4.15Å; Y200-P208 HydrophobicContact CD2-CB 3.73Å; Y200-P208 HydrophobicContact CD2-CG 4.39Å; Y200-P208 HydrophobicContact CE1-CB 4.01Å; Y200-P208 HydrophobicContact CE2-CB 3.89Å; Y200-P208 HydrophobicContact CG-CB 3.71Å; Y200-P208 HydrophobicContact CG-CG 3.98Å; P208-I226 HydrophobicContact CB-CG2 4.37Å; P208-L244 HydrophobicContact CB-CD1 4.31Å; P208-L244 HydrophobicContact CG-CD1 4.08Å
209F98Very high97.5Very high2 Ų247.4 Ų47.41%0.00924%0.238CC..SBendtrans-124.8104.6-179.9-45.3-72.7000108.5W193 P207 I217 K220 I221 I226 L244W193-F209 AromaticContact CH2-CE2 3.99Å; W193-F209 HydrophobicContact CH2-CE2 3.99Å; W193-F209 AromaticContact CH2-CZ 4Å; W193-F209 HydrophobicContact CH2-CZ 4Å; W193-F209 HydrophobicContact CZ2-CD2 4.25Å; W193-F209 AromaticContact CZ2-CE2 3.41Å; W193-F209 HydrophobicContact CZ2-CE2 3.41Å; W193-F209 VanDerWaalsContact CZ2-CE2 3.41Å; W193-F209 AromaticContact CZ2-CZ 3.88Å; W193-F209 HydrophobicContact CZ2-CZ 3.88Å; P207-F209 PolarHBondContact O-N 3.08Å; F209-I217 HydrophobicContact CB-CG2 4.29Å; F209-K220 HydrophobicContact CB-CB 4.38Å; F209-K220 HydrophobicContact CD1-CB 4.04Å; F209-I221 HydrophobicContact CB-CD1 4.43Å; F209-I221 HydrophobicContact CB-CG1 3.73Å; F209-I221 HydrophobicContact CD1-CG1 4.28Å; F209-I221 HydrophobicContact CD2-CG1 3.57Å; F209-I221 HydrophobicContact CE2-CG1 4.24Å; F209-I221 HydrophobicContact CG-CG1 3.59Å; F209-I226 HydrophobicContact CE1-CG1 3.73Å; F209-I226 HydrophobicContact CZ-CD1 4.02Å; F209-I226 HydrophobicContact CZ-CG1 3.54Å; F209-L244 HydrophobicContact CE2-CD2 4.42Å
210F94.7Very high97.4Very high112 Ų11251.7 Ų51.749%0.49126%0.257SS..  trans-135.3149174.665.3-83000110.4Y206 P207 K220Y206-F210 HydrophobicContact CD2-CD1 4.24Å; Y206-F210 AromaticContact CD2-CE1 3.8Å; Y206-F210 HydrophobicContact CD2-CE1 3.8Å; Y206-F210 HydrophobicContact CE2-CE1 4.16Å; P207-F210 HydrophobicContact CG-CB 4.2Å; P207-F210 WeakPolarHBondContact O-CD1 3.48Å; F210-K220 PolarHBondContact O-NZ 3.49Å
211A96.1Very high97.4Very high24 Ų2451.4 Ų51.420%0.19826%0.256CS..  trans-165.9169.117600000108.8Q213 Q216 I217A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 3.16Å; A211-Q216 HydrophobicContact CB-CB 3.46Å; A211-Q216 VanDerWaalsContact CB-CB 3.46Å; A211-I217 HydrophobicContact CB-CG1 3.82Å
212D95.1Very high97.4Very high151 Ų15153.5 Ų53.581%0.80727%0.269SS*.SBendtrans-73.5-26.6-176.1-58.5-32000112.8
213Q95.7Very high97.3Very high113 Ų11356.4 Ų56.453%0.52829%0.289SS..SBendtrans-121.9137.9-178-64.7-61.5-45.700110.9A211 I215 Q216 I217A211-Q213 VanDerWaalsContact C-N 3.32Å; A211-Q213 PolarHBondContact O-N 3.16Å; Q213-I215 HydrophobicContact CB-CG2 4.19Å; Q213-I215 PolarHBondContact O-N 3.3Å; Q213-I215 VanDerWaalsContact O-N 3.09Å; Q213-Q216 HydrophobicContact CB-CG 4.36Å; Q213-Q216 WeakPolarHBondContact O-CB 3.3Å; Q213-Q216 PolarHBondContact O-N 2.87Å; Q213-I217 PolarHBondContact O-N 3.25Å
214P95.2Very high97.1Very high58 Ų5857.4 Ų57.438%0.37730%0.3SS..Hα-helixtrans-52.6-36.6-179.5-29.635.3000114.1Q216 I217 Y218P214-Q216 VanDerWaalsContact C-N 3.29Å; P214-Q216 PolarHBondContact O-N 3.34Å; P214-I217 WeakPolarHBondContact O-CB 3.43Å; P214-I217 PolarHBondContact O-N 3.2Å; P214-I217 VanDerWaalsContact O-N 3.13Å; P214-Y218 HydrophobicContact CB-CE1 4.44Å; P214-Y218 HydrophobicContact CB-CE2 4.14Å; P214-Y218 VanDerWaalsContact O-CD1 3.29Å; P214-Y218 WeakPolarHBondContact O-CD1 3.47Å; P214-Y218 WeakPolarHBondContact O-CD2 3.46Å; P214-Y218 PolarHBondContact O-N 3.24Å
215I96.1Very high97Very high107 Ų10765.2 Ų65.255%0.54933%0.332SS..Hα-helixtrans-60.8-37.5178.9-167.460.8000112.8Q213 Y218 E219Q213-I215 HydrophobicContact CB-CG2 4.19Å; Q213-I215 PolarHBondContact O-N 3.3Å; Q213-I215 VanDerWaalsContact O-N 3.09Å; I215-Y218 HydrophobicContact CD1-CD2 4.39Å; I215-Y218 PolarHBondContact O-N 3Å; I215-E219 WeakPolarHBondContact O-CG 3.4Å; I215-E219 PolarHBondContact O-N 2.9Å
216Q97.8Very high96.9Very high80 Ų8066.2 Ų66.237%0.37434%0.335SS..Hα-helixtrans-72.4-33.8177.9-63.5172.2-11.300111.2A211 Q213 P214 Y218 K220A211-Q216 HydrophobicContact CB-CB 3.46Å; A211-Q216 VanDerWaalsContact CB-CB 3.46Å; Q213-Q216 HydrophobicContact CB-CG 4.36Å; Q213-Q216 WeakPolarHBondContact O-CB 3.3Å; Q213-Q216 PolarHBondContact O-N 2.87Å; P214-Q216 VanDerWaalsContact C-N 3.29Å; P214-Q216 PolarHBondContact O-N 3.34Å; Q216-Y218 VanDerWaalsContact C-N 3.33Å; Q216-K220 WeakPolarHBondContact O-CG 3.49Å; Q216-K220 PolarHBondContact O-N 3.16Å
217I97.8Very high96.8Very high4 Ų472.5 Ų72.52%0.02136%0.358CS..Hα-helixtrans-61.7-46.4172.2-57.1177.9000109.2P173 E174 F209 A211 Q213 P214 E219 K220 I221P173-I217 HydrophobicContact CB-CD1 4.36Å; E174-I217 HydrophobicContact CG-CD1 4.23Å; F209-I217 HydrophobicContact CB-CG2 4.29Å; A211-I217 HydrophobicContact CB-CG1 3.82Å; Q213-I217 PolarHBondContact O-N 3.25Å; P214-I217 WeakPolarHBondContact O-CB 3.43Å; P214-I217 PolarHBondContact O-N 3.2Å; P214-I217 VanDerWaalsContact O-N 3.13Å; I217-E219 PolarHBondContact O-N 3.5Å; I217-K220 WeakPolarHBondContact O-CB 3.25Å; I217-K220 PolarHBondContact O-N 2.88Å; I217-I221 HydrophobicContact CG2-CD1 3.77Å; I217-I221 HydrophobicContact CG2-CG1 4.41Å; I217-I221 WeakPolarHBondContact O-CG1 3.44Å; I217-I221 PolarHBondContact O-N 2.63Å
218Y97.9Very high96.9Very high57 Ų5774.3 Ų74.322%0.22436%0.364CS..Hα-helixtrans-62.1-43.2-179.8-58.8-18.1000112.8P173 L176 I181 P214 I215 Q216 K220 I221 V222P173-Y218 HydrophobicContact CB-CE1 3.88Å; L176-Y218 HydrophobicContact CD1-CE1 3.8Å; I181-Y218 HydrophobicContact CD1-CD1 3.85Å; I181-Y218 HydrophobicContact CD1-CG 4.23Å; I181-Y218 HydrophobicContact CG1-CD1 4.05Å; I181-Y218 HydrophobicContact CG1-CG 4.29Å; I181-Y218 HydrophobicContact CG2-CG 4.16Å; P214-Y218 HydrophobicContact CB-CE1 4.44Å; P214-Y218 HydrophobicContact CB-CE2 4.14Å; P214-Y218 VanDerWaalsContact O-CD1 3.29Å; P214-Y218 WeakPolarHBondContact O-CD1 3.47Å; P214-Y218 WeakPolarHBondContact O-CD2 3.46Å; P214-Y218 PolarHBondContact O-N 3.24Å; I215-Y218 HydrophobicContact CD1-CD2 4.39Å; I215-Y218 PolarHBondContact O-N 3Å; Q216-Y218 VanDerWaalsContact C-N 3.33Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 3.01Å; Y218-I221 PolarHBondContact O-N 3.35Å; Y218-V222 WeakPolarHBondContact O-CG2 3.4Å; Y218-V222 PolarHBondContact O-N 3.49Å
219E97.9Very high96.9Very high130 Ų13074.3 Ų74.361%0.60736%0.364SS*.Hα-helixtrans-57.9-43.2174.3-73173.1172.400111.9I215 I217 S223I215-E219 WeakPolarHBondContact O-CG 3.4Å; I215-E219 PolarHBondContact O-N 2.9Å; I217-E219 PolarHBondContact O-N 3.5Å; E219-S223 WeakPolarHBondContact O-CB 3.24Å; E219-S223 PolarHBondContact O-N 2.86Å; E219-S223 VanDerWaalsContact O-N 3.09Å
220K98.2Very high96.9Very high91 Ų9179.8 Ų79.840%0.39640%0.403SS..Hα-helixtrans-65.1-46177.2-71.5179.5179.9-169.30112F209 F210 Q216 I217 Y218 S223 G224F209-K220 HydrophobicContact CB-CB 4.38Å; F209-K220 HydrophobicContact CD1-CB 4.04Å; F210-K220 PolarHBondContact O-NZ 3.49Å; Q216-K220 WeakPolarHBondContact O-CG 3.49Å; Q216-K220 PolarHBondContact O-N 3.16Å; I217-K220 WeakPolarHBondContact O-CB 3.25Å; I217-K220 PolarHBondContact O-N 2.88Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 3.01Å; K220-S223 WeakPolarHBondContact O-CB 3.1Å; K220-S223 PolarHBondContact O-N 2.86Å; K220-S223 PolarHBondContact O-OG 3.3Å; K220-G224 PolarHBondContact O-N 3.48Å
221I98.4Very high97Very high0 Ų078 Ų780%040%0.396CS..Hα-helixtrans-57.1-51.7178-73.5166.9000110.8P173 P178 I181 W193 F209 I217 Y218 S223 G224P173-I221 WeakPolarHBondContact O-CD1 3.29Å; P178-I221 HydrophobicContact CB-CG2 4.29Å; P178-I221 HydrophobicContact CG-CG2 3.71Å; I181-I221 HydrophobicContact CD1-CB 3.81Å; I181-I221 HydrophobicContact CD1-CD1 3.81Å; I181-I221 HydrophobicContact CD1-CG1 4.41Å; I181-I221 HydrophobicContact CD1-CG2 3.46Å; I181-I221 VanDerWaalsContact CD1-CG2 3.46Å; W193-I221 HydrophobicContact CH2-CG2 4.29Å; W193-I221 HydrophobicContact CZ2-CG2 3.7Å; F209-I221 HydrophobicContact CB-CD1 4.43Å; F209-I221 HydrophobicContact CB-CG1 3.73Å; F209-I221 HydrophobicContact CD1-CG1 4.28Å; F209-I221 HydrophobicContact CD2-CG1 3.57Å; F209-I221 HydrophobicContact CE2-CG1 4.24Å; F209-I221 HydrophobicContact CG-CG1 3.59Å; I217-I221 HydrophobicContact CG2-CD1 3.77Å; I217-I221 HydrophobicContact CG2-CG1 4.41Å; I217-I221 WeakPolarHBondContact O-CG1 3.44Å; I217-I221 PolarHBondContact O-N 2.63Å; Y218-I221 PolarHBondContact O-N 3.35Å; I221-S223 VanDerWaalsContact C-N 3.25Å; I221-S223 PolarHBondContact O-N 2.92Å; I221-G224 PolarHBondContact O-N 2.92Å; I221-G224 VanDerWaalsContact O-N 3.07Å
222V97.8Very high97.2Very high51 Ų5177.1 Ų77.131%0.30939%0.388SS..Hα-helixtrans-65.9-29.8-177.8176.30000111.7I181 L182 Y218 G224I181-V222 HydrophobicContact CB-CG2 4.38Å; I181-V222 HydrophobicContact CG2-CG2 3.92Å; L182-V222 HydrophobicContact CD1-CG1 4.32Å; L182-V222 HydrophobicContact CD2-CG1 4.26Å; L182-V222 HydrophobicContact CD2-CG2 4.26Å; L182-V222 HydrophobicContact CG-CG2 4.21Å; Y218-V222 WeakPolarHBondContact O-CG2 3.4Å; Y218-V222 PolarHBondContact O-N 3.49Å; V222-G224 PolarHBondContact O-N 3.08Å
223S97.2Very high97.3Very high60 Ų6072.4 Ų72.442%0.4236%0.364SS..Hα-helixtrans-66.8-24.717583.60000113.7E219 K220 I221 K225E219-S223 WeakPolarHBondContact O-CB 3.24Å; E219-S223 PolarHBondContact O-N 2.86Å; E219-S223 VanDerWaalsContact O-N 3.09Å; K220-S223 WeakPolarHBondContact O-CB 3.1Å; K220-S223 PolarHBondContact O-N 2.86Å; K220-S223 PolarHBondContact O-OG 3.3Å; I221-S223 VanDerWaalsContact C-N 3.25Å; I221-S223 PolarHBondContact O-N 2.92Å; S223-K225 PolarHBondContact O-N 3.23Å; S223-K225 VanDerWaalsContact O-N 3.12Å; S223-K225 PolarHBondContact OG-N 3.47Å
224G94.4Very high97.5Very high25 Ų2572.9 Ų72.926%0.25837%0.371SS..THydrogen-bonded Turntrans64.39.2-176.400000115.2K220 I221 V222 I226 V246K220-G224 PolarHBondContact O-N 3.48Å; I221-G224 PolarHBondContact O-N 2.92Å; I221-G224 VanDerWaalsContact O-N 3.07Å; V222-G224 PolarHBondContact O-N 3.08Å; G224-I226 PolarHBondContact O-N 3.43Å; G224-V246 VanDerWaalsContact CA-CG2 3.4Å
225K95.8Very high97.6Very high172 Ų17274 Ų7475%0.74837%0.371SS*.  trans-83.5101.8-177.4-67.1-179-177.1175.40110.4S223S223-K225 PolarHBondContact O-N 3.23Å; S223-K225 VanDerWaalsContact O-N 3.12Å; S223-K225 PolarHBondContact OG-N 3.47Å
226I96.3Very high97.8Very high32 Ų3268.9 Ų68.916%0.16434%0.344CS..  trans-103.6134.7179.5-58.2152.5000109.7Y200 P208 F209 G224 F228 L244Y200-I226 HydrophobicContact CD2-CG2 4.26Å; Y200-I226 HydrophobicContact CE2-CG2 3.82Å; P208-I226 HydrophobicContact CB-CG2 4.37Å; F209-I226 HydrophobicContact CE1-CG1 3.73Å; F209-I226 HydrophobicContact CZ-CD1 4.02Å; F209-I226 HydrophobicContact CZ-CG1 3.54Å; G224-I226 PolarHBondContact O-N 3.43Å; I226-F228 HydrophobicContact CB-CE2 4.43Å; I226-F228 HydrophobicContact CB-CZ 4.14Å; I226-F228 HydrophobicContact CG2-CD1 4.07Å; I226-F228 HydrophobicContact CG2-CE1 3.59Å; I226-F228 HydrophobicContact CG2-CE2 4.14Å; I226-F228 HydrophobicContact CG2-CZ 3.63Å; I226-L244 HydrophobicContact CD1-CB 3.39Å; I226-L244 HydrophobicContact CD1-CD1 3.64Å; I226-L244 HydrophobicContact CD1-CG 4.15Å; I226-L244 HydrophobicContact CG1-CD1 4.41Å
227R97.2Very high97.8Very high225 Ų22567.1 Ų67.185%0.84934%0.335SS*.  trans-104.3130.1168.1-65.9-175.3-179-168.60.6108.7Y200Y200-R227 WeakPolarHBondContact CE2-O 3.23Å; Y200-R227 PolarHBondContact OH-O 2.91Å
228F98.4Very high97.9Very high51 Ų5170.5 Ų70.522%0.22435%0.354CS..  trans-100.4139.4179.1-61.3-73.3000110.4Y200 I226 F232 K237 L240 K241Y200-F228 HydrophobicContact CD2-CD1 4.21Å; Y200-F228 HydrophobicContact CD2-CE1 4.23Å; Y200-F228 AromaticContact CE2-CD1 3.93Å; Y200-F228 HydrophobicContact CE2-CD1 3.93Å; Y200-F228 HydrophobicContact CE2-CE1 4.27Å; I226-F228 HydrophobicContact CB-CE2 4.43Å; I226-F228 HydrophobicContact CB-CZ 4.14Å; I226-F228 HydrophobicContact CG2-CD1 4.07Å; I226-F228 HydrophobicContact CG2-CE1 3.59Å; I226-F228 HydrophobicContact CG2-CE2 4.14Å; I226-F228 HydrophobicContact CG2-CZ 3.63Å; F228-F232 HydrophobicContact CB-CD2 4.3Å; F228-F232 AromaticContact CD1-CD2 3.86Å; F228-F232 HydrophobicContact CD1-CD2 3.86Å; F228-F232 HydrophobicContact CD1-CE2 4.15Å; F228-K237 HydrophobicContact CB-CD 4.21Å; F228-K237 HydrophobicContact CB-CG 3.97Å; F228-K237 HydrophobicContact CD1-CG 4.15Å; F228-K237 HydrophobicContact CD2-CB 4.49Å; F228-K237 HydrophobicContact CD2-CG 4.11Å; F228-K237 HydrophobicContact CG-CD 4.42Å; F228-K237 HydrophobicContact CG-CG 3.81Å; F228-L240 HydrophobicContact CD1-CD1 4.19Å; F228-L240 HydrophobicContact CE1-CB 3.74Å; F228-L240 HydrophobicContact CE1-CD1 3.81Å; F228-L240 HydrophobicContact CE1-CG 4.45Å; F228-L240 HydrophobicContact CZ-CB 4.18Å; F228-K241 HydrophobicContact CE2-CG 4.07Å; F228-K241 HydrophobicContact CZ-CG 4.01Å
229P98.4Very high97.9Very high15 Ų1567.8 Ų67.810%0.09734%0.343CS..  trans-55.9150.5167-23.934000112.1A204 H231 F232A204-P229 HydrophobicContact CB-CG 4.09Å; P229-H231 WeakPolarHBondContact CB-CE1 3.34Å; P229-H231 VanDerWaalsContact CB-ND1 3.25Å; P229-H231 WeakPolarHBondContact CB-ND1 3.3Å; P229-H231 PolarHBondContact O-N 2.92Å; P229-F232 HydrophobicContact CB-CD1 4.01Å; P229-F232 HydrophobicContact CB-CE1 4.22Å; P229-F232 HydrophobicContact CG-CD1 4Å; P229-F232 HydrophobicContact CG-CE1 3.76Å; P229-F232 HydrophobicContact CG-CE2 4.5Å; P229-F232 HydrophobicContact CG-CG 4.48Å; P229-F232 HydrophobicContact CG-CZ 4.05Å; P229-F232 PolarHBondContact O-N 3.33Å
230S97.9Very high98Very high117 Ų11761.6 Ų61.682%0.81831%0.314SS*.THydrogen-bonded Turntrans-62.9-32.2179.453.10000112.4F232S230-F232 VanDerWaalsContact C-N 3.28Å; S230-F232 PolarHBondContact O-N 3.14Å
231H98.3Very high98Very high75 Ų7563 Ų6335%0.34732%0.32SS..THydrogen-bonded Turntrans-74.5-10.1-178.368.3-89.7000114.7R108 D203 P229R108-H231 PolarHBondContact NH1-CE1 3.11Å; R108-H231 PolarHBondContact NH1-ND1 3.33Å; R108-H231 PolarHBondContact NH1-NE2 3.14Å; R108-H231 VanDerWaalsContact NH1-NE2 3.11Å; D203-H231 PolarHBondContact O-NE2 3.49Å; D203-H231 VanDerWaalsContact O-NE2 3.12Å; P229-H231 WeakPolarHBondContact CB-CE1 3.34Å; P229-H231 VanDerWaalsContact CB-ND1 3.25Å; P229-H231 WeakPolarHBondContact CB-ND1 3.3Å; P229-H231 PolarHBondContact O-N 2.92Å
232F98.7Very high98Very high6 Ų664.7 Ų64.73%0.02633%0.329CS..SBendtrans-69.8133.3175.5-8221.2000110.6Y200 D203 A204 F228 P229 S230 L236 K237 L240Y200-F232 AromaticContact CD2-CE2 3.98Å; Y200-F232 HydrophobicContact CD2-CE2 3.98Å; Y200-F232 HydrophobicContact CE2-CE2 4.21Å; Y200-F232 HydrophobicContact CG-CE2 4.4Å; D203-F232 HydrophobicContact CB-CE1 3.71Å; D203-F232 HydrophobicContact CB-CZ 3.74Å; D203-F232 WeakPolarHBondContact O-CE1 3.43Å; A204-F232 HydrophobicContact CB-CE1 4.14Å; A204-F232 HydrophobicContact CB-CZ 3.82Å; F228-F232 HydrophobicContact CB-CD2 4.3Å; F228-F232 AromaticContact CD1-CD2 3.86Å; F228-F232 HydrophobicContact CD1-CD2 3.86Å; F228-F232 HydrophobicContact CD1-CE2 4.15Å; P229-F232 HydrophobicContact CB-CD1 4.01Å; P229-F232 HydrophobicContact CB-CE1 4.22Å; P229-F232 HydrophobicContact CG-CD1 4Å; P229-F232 HydrophobicContact CG-CE1 3.76Å; P229-F232 HydrophobicContact CG-CE2 4.5Å; P229-F232 HydrophobicContact CG-CG 4.48Å; P229-F232 HydrophobicContact CG-CZ 4.05Å; P229-F232 PolarHBondContact O-N 3.33Å; S230-F232 VanDerWaalsContact C-N 3.28Å; S230-F232 PolarHBondContact O-N 3.14Å; F232-L236 HydrophobicContact CB-CD2 4.08Å; F232-L236 HydrophobicContact CD1-CD2 3.82Å; F232-L236 HydrophobicContact CD2-CD2 3.56Å; F232-L236 HydrophobicContact CD2-CG 3.86Å; F232-L236 HydrophobicContact CE1-CD2 4.07Å; F232-L236 HydrophobicContact CE2-CD2 3.84Å; F232-L236 HydrophobicContact CE2-CG 4.25Å; F232-L236 HydrophobicContact CG-CD2 3.54Å; F232-L236 HydrophobicContact CG-CG 4.21Å; F232-L236 HydrophobicContact CZ-CD2 4.07Å; F232-K237 HydrophobicContact CB-CD 4.36Å; F232-K237 HydrophobicContact CB-CG 3.96Å; F232-K237 WeakPolarHBondContact O-CE 3.5Å; F232-K237 PolarHBondContact O-NZ 2.89Å; F232-L240 HydrophobicContact CD2-CD1 3.96Å; F232-L240 HydrophobicContact CE2-CD1 3.57Å
233T98.8Very high98.1Very high52 Ų5262.2 Ų62.232%0.31931%0.314SS..  trans-62.6161.3172.161.20000111.8E111 E235 L236 K237E111-T233 VanDerWaalsContact CD-OG1 3.3Å; E111-T233 WeakPolarHBondContact OE1-CB 3.3Å; E111-T233 VanDerWaalsContact OE1-CG2 3.22Å; E111-T233 WeakPolarHBondContact OE1-CG2 3.48Å; E111-T233 PolarHBondContact OE1-N 2.88Å; E111-T233 PolarHBondContact OE1-OG1 2.93Å; E111-T233 VanDerWaalsContact OE1-OG1 3.07Å; E111-T233 WeakPolarHBondContact OE2-CG2 3.17Å; E111-T233 PolarHBondContact OE2-OG1 3.33Å; T233-E235 VanDerWaalsContact C-N 3.27Å; T233-E235 PolarHBondContact O-N 3.33Å; T233-L236 PolarHBondContact O-N 2.8Å; T233-L236 VanDerWaalsContact OG1-CB 3.28Å; T233-L236 WeakPolarHBondContact OG1-CB 3.46Å; T233-L236 PolarHBondContact OG1-N 3.36Å; T233-L236 VanDerWaalsContact OG1-N 3.09Å; T233-K237 VanDerWaalsContact O-CG 3.31Å; T233-K237 WeakPolarHBondContact O-CG 3.23Å; T233-K237 PolarHBondContact O-N 3.45Å
234N98.7Very high98.1Very high123 Ų12359.7 Ų59.766%0.65830%0.296SS*.Hα-helixtrans-66.2-36.4176.3-71.9-32.9000110.9K237 D238N234-K237 PolarHBondContact O-N 3.27Å; N234-D238 WeakPolarHBondContact O-CB 3.49Å; N234-D238 PolarHBondContact O-N 3.06Å
235E98.8Very high98.3Very high80 Ų8061.4 Ų61.437%0.37430%0.298SS..Hα-helixtrans-63.2-44.5176.1-65.269.6-156.300111T233 D238 L239 H265 K266 W267T233-E235 VanDerWaalsContact C-N 3.27Å; T233-E235 PolarHBondContact O-N 3.33Å; E235-D238 PolarHBondContact O-N 3.06Å; E235-L239 PolarHBondContact O-N 3.26Å; E235-H265 PolarHBondContact O-CE1 2.7Å; E235-K266 HydrophobicContact CG-CB 3.94Å; E235-W267 HydrophobicContact CB-CB 4.09Å
236L98.9Very high98.5Very high0 Ų055.5 Ų55.50%028%0.275CS..Hα-helixtrans-62.7-47.5175.7177.655.2000111.3E111 I199 D203 F232 T233 D238 L239 L240 W267E111-L236 HydrophobicContact CG-CD2 4.11Å; E111-L236 WeakPolarHBondContact OE1-CD2 3.44Å; I199-L236 HydrophobicContact CG2-CD1 3.56Å; D203-L236 HydrophobicContact CB-CD2 3.92Å; D203-L236 WeakPolarHBondContact OD1-CD2 3.34Å; F232-L236 HydrophobicContact CB-CD2 4.08Å; F232-L236 HydrophobicContact CD1-CD2 3.82Å; F232-L236 HydrophobicContact CD2-CD2 3.56Å; F232-L236 HydrophobicContact CD2-CG 3.86Å; F232-L236 HydrophobicContact CE1-CD2 4.07Å; F232-L236 HydrophobicContact CE2-CD2 3.84Å; F232-L236 HydrophobicContact CE2-CG 4.25Å; F232-L236 HydrophobicContact CG-CD2 3.54Å; F232-L236 HydrophobicContact CG-CG 4.21Å; F232-L236 HydrophobicContact CZ-CD2 4.07Å; T233-L236 PolarHBondContact O-N 2.8Å; T233-L236 VanDerWaalsContact OG1-CB 3.28Å; T233-L236 WeakPolarHBondContact OG1-CB 3.46Å; T233-L236 PolarHBondContact OG1-N 3.36Å; T233-L236 VanDerWaalsContact OG1-N 3.09Å; L236-D238 VanDerWaalsContact C-N 3.28Å; L236-D238 PolarHBondContact O-N 3.46Å; L236-L239 PolarHBondContact O-N 2.98Å; L236-L240 HydrophobicContact CD1-CD1 3.74Å; L236-L240 HydrophobicContact CD1-CG 3.93Å; L236-L240 HydrophobicContact CG-CD1 3.87Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 3.03Å; L236-W267 HydrophobicContact CD1-CD2 4.39Å; L236-W267 HydrophobicContact CD1-CZ2 3.9Å
237K98.9Very high98.5Very high43 Ų4356.6 Ų56.619%0.18728%0.282CS..Hα-helixtrans-58.6-40.7177.5-70.5169.5-175.9155.50111.8F228 F232 T233 N234 K241F228-K237 HydrophobicContact CB-CD 4.21Å; F228-K237 HydrophobicContact CB-CG 3.97Å; F228-K237 HydrophobicContact CD1-CG 4.15Å; F228-K237 HydrophobicContact CD2-CB 4.49Å; F228-K237 HydrophobicContact CD2-CG 4.11Å; F228-K237 HydrophobicContact CG-CD 4.42Å; F228-K237 HydrophobicContact CG-CG 3.81Å; F232-K237 HydrophobicContact CB-CD 4.36Å; F232-K237 HydrophobicContact CB-CG 3.96Å; F232-K237 WeakPolarHBondContact O-CE 3.5Å; F232-K237 PolarHBondContact O-NZ 2.89Å; T233-K237 VanDerWaalsContact O-CG 3.31Å; T233-K237 WeakPolarHBondContact O-CG 3.23Å; T233-K237 PolarHBondContact O-N 3.45Å; N234-K237 PolarHBondContact O-N 3.27Å; K237-K241 WeakPolarHBondContact O-CB 3.41Å; K237-K241 VanDerWaalsContact O-CG 3.24Å; K237-K241 WeakPolarHBondContact O-CG 3.38Å; K237-K241 PolarHBondContact O-N 3.45Å
238D98.8Very high98.5Very high76 Ų7647.8 Ų47.841%0.40625%0.251SS..Hα-helixtrans-67.2-45.5179.5-165.254.5000111.8N234 E235 L236 L240 K241 N242 H265N234-D238 WeakPolarHBondContact O-CB 3.49Å; N234-D238 PolarHBondContact O-N 3.06Å; E235-D238 PolarHBondContact O-N 3.06Å; L236-D238 VanDerWaalsContact C-N 3.28Å; L236-D238 PolarHBondContact O-N 3.46Å; D238-L240 PolarHBondContact O-N 3.21Å; D238-K241 PolarHBondContact O-N 3.33Å; D238-N242 PolarHBondContact O-N 3.06Å; D238-N242 PolarHBondContact O-ND2 2.86Å; D238-H265 IonicContact OD2-NE2 3.15Å; D238-H265 PolarHBondContact OD2-NE2 3.04Å; D238-H265 VanDerWaalsContact OD2-NE2 3.15Å
239L98.9Very high98.4Very high0 Ų049.6 Ų49.60%027%0.267CS..Hα-helixtrans-57.4-49.7174.4179.460.2000111.1I199 E235 L236 K241 N242 L243 H265 W267 F268I199-L239 HydrophobicContact CD1-CD2 4.13Å; E235-L239 PolarHBondContact O-N 3.26Å; L236-L239 PolarHBondContact O-N 2.98Å; L239-K241 VanDerWaalsContact C-N 3.34Å; L239-K241 PolarHBondContact O-N 3.14Å; L239-N242 PolarHBondContact O-N 2.83Å; L239-N242 VanDerWaalsContact O-N 3.07Å; L239-L243 HydrophobicContact CD1-CD1 3.94Å; L239-L243 HydrophobicContact CD1-CG 4.15Å; L239-L243 HydrophobicContact CD2-CD1 4.42Å; L239-L243 HydrophobicContact CG-CD1 3.88Å; L239-L243 HydrophobicContact CG-CG 4.43Å; L239-L243 PolarHBondContact O-N 3.44Å; L239-H265 HydrophobicContact CD1-CB 4.15Å; L239-H265 PolarHBondContact N-CE1 2.94Å; L239-W267 HydrophobicContact CB-CB 4.4Å; L239-W267 HydrophobicContact CD2-CB 4.14Å; L239-W267 HydrophobicContact CD2-CD2 3.94Å; L239-W267 HydrophobicContact CD2-CE3 3.43Å; L239-W267 VanDerWaalsContact CD2-CE3 3.43Å; L239-W267 HydrophobicContact CD2-CG 4.26Å; L239-W267 HydrophobicContact CD2-CZ3 4.05Å; L239-F268 HydrophobicContact CD2-CD2 4.22Å; L239-F268 HydrophobicContact CD2-CE2 3.71Å; L239-F268 HydrophobicContact CD2-CZ 4.47Å
240L98.9Very high98.4Very high0 Ų054.6 Ų54.60%029%0.287CS..Hα-helixtrans-63.9-37.1-177.6-71.1173.7000112.3G196 I199 Y200 F228 F232 L236 D238 N242 L243 L244G196-L240 WeakPolarHBondContact O-CD2 3.19Å; I199-L240 HydrophobicContact CB-CD2 3.98Å; I199-L240 HydrophobicContact CG2-CD2 3.9Å; Y200-L240 HydrophobicContact CD2-CD1 4.06Å; F228-L240 HydrophobicContact CD1-CD1 4.19Å; F228-L240 HydrophobicContact CE1-CB 3.74Å; F228-L240 HydrophobicContact CE1-CD1 3.81Å; F228-L240 HydrophobicContact CE1-CG 4.45Å; F228-L240 HydrophobicContact CZ-CB 4.18Å; F232-L240 HydrophobicContact CD2-CD1 3.96Å; F232-L240 HydrophobicContact CE2-CD1 3.57Å; L236-L240 HydrophobicContact CD1-CD1 3.74Å; L236-L240 HydrophobicContact CD1-CG 3.93Å; L236-L240 HydrophobicContact CG-CD1 3.87Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 3.03Å; D238-L240 PolarHBondContact O-N 3.21Å; L240-N242 PolarHBondContact O-N 3.38Å; L240-L243 PolarHBondContact O-N 3.32Å; L240-L244 WeakPolarHBondContact O-CA 3.35Å; L240-L244 VanDerWaalsContact O-CB 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 PolarHBondContact O-N 3.16Å
241K98.7Very high98.4Very high120 Ų12049 Ų4952%0.52225%0.248SC..Hα-helixtrans-62-33173.4-77170.4-177.4177.10112.8F228 K237 D238 L239F228-K241 HydrophobicContact CE2-CG 4.07Å; F228-K241 HydrophobicContact CZ-CG 4.01Å; K237-K241 WeakPolarHBondContact O-CB 3.41Å; K237-K241 VanDerWaalsContact O-CG 3.24Å; K237-K241 WeakPolarHBondContact O-CG 3.38Å; K237-K241 PolarHBondContact O-N 3.45Å; D238-K241 PolarHBondContact O-N 3.33Å; L239-K241 VanDerWaalsContact C-N 3.34Å; L239-K241 PolarHBondContact O-N 3.14Å
242N98.8Very high98.4Very high35 Ų3547.5 Ų47.519%0.18724%0.24CC..Hα-helixtrans-83.4-29.8-179.9-76.7-69.5000113.2D238 L239 L240 R251 Y252D238-N242 PolarHBondContact O-N 3.06Å; D238-N242 PolarHBondContact O-ND2 2.86Å; L239-N242 PolarHBondContact O-N 2.83Å; L239-N242 VanDerWaalsContact O-N 3.07Å; L240-N242 PolarHBondContact O-N 3.38Å; N242-R251 WeakPolarHBondContact O-CA 3.35Å; N242-Y252 HydrophobicContact CB-CD1 3.55Å; N242-Y252 HydrophobicContact CB-CD2 3.8Å; N242-Y252 HydrophobicContact CB-CE1 3.65Å; N242-Y252 HydrophobicContact CB-CE2 3.91Å; N242-Y252 HydrophobicContact CB-CG 3.62Å; N242-Y252 VanDerWaalsContact CG-CE1 3.46Å; N242-Y252 PolarHBondContact O-N 3.07Å; N242-Y252 VanDerWaalsContact OD1-CE1 3.24Å; N242-Y252 WeakPolarHBondContact OD1-CE1 3.28Å
243L98.9Very high98.4Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-81.3-44.8173.4-69.7174.2000112.5W192 L195 I199 L239 L240 Q245 R251 I262W192-L243 HydrophobicContact CB-CD2 4.35Å; L195-L243 HydrophobicContact CD2-CD1 4.34Å; L195-L243 HydrophobicContact CG-CD1 4.29Å; I199-L243 HydrophobicContact CD1-CD1 3.97Å; L239-L243 HydrophobicContact CD1-CD1 3.94Å; L239-L243 HydrophobicContact CD1-CG 4.15Å; L239-L243 HydrophobicContact CD2-CD1 4.42Å; L239-L243 HydrophobicContact CG-CD1 3.88Å; L239-L243 HydrophobicContact CG-CG 4.43Å; L239-L243 PolarHBondContact O-N 3.44Å; L240-L243 PolarHBondContact O-N 3.32Å; L243-Q245 PolarHBondContact O-N 3.39Å; L243-Q245 VanDerWaalsContact O-N 3.08Å; L243-R251 WeakPolarHBondContact O-CD 3.48Å; L243-R251 WeakPolarHBondContact O-CG 3.11Å; L243-R251 PolarHBondContact O-NE 2.77Å; L243-I262 HydrophobicContact CD2-CD1 3.78Å; L243-I262 HydrophobicContact CD2-CG1 4.1Å
244L98.8Very high98.4Very high6 Ų646.6 Ų46.63%0.03123%0.234CC..SBendtrans-86.137.2177.9-58.5175.4000111.9W193 V197 P208 F209 I226 L240W193-L244 HydrophobicContact CD2-CD2 3.97Å; W193-L244 HydrophobicContact CE3-CB 4.47Å; W193-L244 HydrophobicContact CE3-CD2 4.25Å; W193-L244 HydrophobicContact CG-CD2 4.41Å; W193-L244 HydrophobicContact CH2-CB 4.43Å; W193-L244 HydrophobicContact CZ2-CD2 4.22Å; W193-L244 HydrophobicContact CZ3-CB 4.21Å; W193-L244 WeakPolarHBondContact CZ3-O 3.37Å; V197-L244 HydrophobicContact CG2-CD2 3.66Å; P208-L244 HydrophobicContact CB-CD1 4.31Å; P208-L244 HydrophobicContact CG-CD1 4.08Å; F209-L244 HydrophobicContact CE2-CD2 4.42Å; I226-L244 HydrophobicContact CD1-CB 3.39Å; I226-L244 HydrophobicContact CD1-CD1 3.64Å; I226-L244 HydrophobicContact CD1-CG 4.15Å; I226-L244 HydrophobicContact CG1-CD1 4.41Å; L240-L244 WeakPolarHBondContact O-CA 3.35Å; L240-L244 VanDerWaalsContact O-CB 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 PolarHBondContact O-N 3.16Å
245Q98.6Very high98.4Very high62 Ų6243.5 Ų43.529%0.2922%0.217SC..  trans-83.6119.9176.7176.452.8-10100109.8L243 D247 K250 R251L243-Q245 PolarHBondContact O-N 3.39Å; L243-Q245 VanDerWaalsContact O-N 3.08Å; Q245-D247 VanDerWaalsContact C-N 3.34Å; Q245-D247 HydrophobicContact CG-CB 4.43Å; Q245-D247 WeakPolarHBondContact CG-O 3.37Å; Q245-D247 PolarHBondContact O-N 3.13Å; Q245-D247 VanDerWaalsContact OE1-N 3.13Å; Q245-K250 HydrophobicContact CG-CB 3.69Å; Q245-R251 HydrophobicContact CB-CB 4.18Å; Q245-R251 HydrophobicContact CB-CG 4.35Å; Q245-R251 VanDerWaalsContact O-CZ 3.3Å; Q245-R251 PolarHBondContact O-NE 2.81Å; Q245-R251 PolarHBondContact O-NH2 3.37Å
246V98.4Very high98.3Very high47 Ų4751.5 Ų51.529%0.28524%0.243SC..SBendtrans-64.6-39.6-178.7175.40000111.5P178 W193 G224 L248P178-V246 HydrophobicContact CB-CG1 4.05Å; P178-V246 HydrophobicContact CG-CB 4.36Å; P178-V246 HydrophobicContact CG-CG1 4.1Å; P178-V246 HydrophobicContact CG-CG2 4.15Å; W193-V246 HydrophobicContact CH2-CG2 4.36Å; W193-V246 HydrophobicContact CZ3-CG2 4.33Å; G224-V246 VanDerWaalsContact CA-CG2 3.4Å; V246-L248 PolarHBondContact O-N 3.22Å; V246-L248 VanDerWaalsContact O-N 3.11Å
247D97.6Very high98.2Very high55 Ų5556.2 Ų56.229%0.29427%0.268SS..SBendtrans-75.199173.4-176.9-5.7000110.2Q245 T249 K250 R251Q245-D247 VanDerWaalsContact C-N 3.34Å; Q245-D247 HydrophobicContact CG-CB 4.43Å; Q245-D247 WeakPolarHBondContact CG-O 3.37Å; Q245-D247 PolarHBondContact O-N 3.13Å; Q245-D247 VanDerWaalsContact OE1-N 3.13Å; D247-T249 VanDerWaalsContact CG-OG1 3.24Å; D247-T249 PolarHBondContact O-N 3.49Å; D247-T249 WeakPolarHBondContact OD1-CB 3.29Å; D247-T249 PolarHBondContact OD1-N 3.33Å; D247-T249 PolarHBondContact OD1-OG1 2.89Å; D247-T249 PolarHBondContact OD2-OG1 3.24Å; D247-K250 HydrophobicContact CB-CB 4.45Å; D247-K250 HydrophobicContact CB-CD 4.21Å; D247-K250 HydrophobicContact CB-CG 4.44Å; D247-K250 PolarHBondContact O-N 3.48Å; D247-K250 WeakPolarHBondContact OD2-CD 3.41Å; D247-K250 WeakPolarHBondContact OD2-CE 3.17Å; D247-K250 IonicContact OD2-NZ 3.33Å; D247-K250 PolarHBondContact OD2-NZ 3.38Å; D247-R251 PolarHBondContact O-N 3.46Å
248L96Very high98.2Very high40 Ų4055 Ų5521%0.20927%0.268CS..THydrogen-bonded Turntrans-55-21.7-179.568.786.8000113.8E179 V246 K250 R251 N254E179-L248 HydrophobicContact CB-CD2 4.19Å; E179-L248 HydrophobicContact CG-CD2 4.24Å; V246-L248 PolarHBondContact O-N 3.22Å; V246-L248 VanDerWaalsContact O-N 3.11Å; L248-K250 PolarHBondContact O-N 3.24Å; L248-R251 PolarHBondContact O-N 2.91Å; L248-N254 PolarHBondContact O-ND2 3.41Å
249T96.2Very high98.2Very high90 Ų9052.3 Ų52.355%0.55225%0.254SS*.THydrogen-bonded Turntrans-74.4-12.9177.272.40000113.1D247 L255D247-T249 VanDerWaalsContact CG-OG1 3.24Å; D247-T249 PolarHBondContact O-N 3.49Å; D247-T249 WeakPolarHBondContact OD1-CB 3.29Å; D247-T249 PolarHBondContact OD1-N 3.33Å; D247-T249 PolarHBondContact OD1-OG1 2.89Å; D247-T249 PolarHBondContact OD2-OG1 3.24Å; T249-L255 WeakPolarHBondContact O-CD2 3.42Å
250K98.4Very high98.2Very high119 Ų11955.7 Ų55.752%0.51727%0.272SS..SBendtrans-113-2.4178.4-63.6175.9-172162.70112.8Q245 D247 L248Q245-K250 HydrophobicContact CG-CB 3.69Å; D247-K250 HydrophobicContact CB-CB 4.45Å; D247-K250 HydrophobicContact CB-CD 4.21Å; D247-K250 HydrophobicContact CB-CG 4.44Å; D247-K250 PolarHBondContact O-N 3.48Å; D247-K250 WeakPolarHBondContact OD2-CD 3.41Å; D247-K250 WeakPolarHBondContact OD2-CE 3.17Å; D247-K250 IonicContact OD2-NZ 3.33Å; D247-K250 PolarHBondContact OD2-NZ 3.38Å; L248-K250 PolarHBondContact O-N 3.24Å
251R98.8Very high98.1Very high0 Ų057.2 Ų57.20%028%0.28CS..SBendtrans-77.4131.9-176.9-166.6179.5-60150.44.7111.1E179 A189 N242 L243 Q245 D247 L248 N254E179-R251 IonicContact OE1-CZ 3.54Å; E179-R251 IonicContact OE1-NH1 3.05Å; E179-R251 PolarHBondContact OE1-NH1 3.02Å; E179-R251 IonicContact OE1-NH2 3.84Å; E179-R251 IonicContact OE2-CZ 2.68Å; E179-R251 IonicContact OE2-NH1 3.39Å; E179-R251 PolarHBondContact OE2-NH1 2.82Å; E179-R251 IonicContact OE2-NH2 2.74Å; E179-R251 PolarHBondContact OE2-NH2 3.23Å; A189-R251 WeakPolarHBondContact O-CD 3.38Å; A189-R251 PolarHBondContact O-NH1 3.4Å; N242-R251 WeakPolarHBondContact O-CA 3.35Å; L243-R251 WeakPolarHBondContact O-CD 3.48Å; L243-R251 WeakPolarHBondContact O-CG 3.11Å; L243-R251 PolarHBondContact O-NE 2.77Å; Q245-R251 HydrophobicContact CB-CB 4.18Å; Q245-R251 HydrophobicContact CB-CG 4.35Å; Q245-R251 VanDerWaalsContact O-CZ 3.3Å; Q245-R251 PolarHBondContact O-NE 2.81Å; Q245-R251 PolarHBondContact O-NH2 3.37Å; D247-R251 PolarHBondContact O-N 3.46Å; L248-R251 PolarHBondContact O-N 2.91Å; R251-N254 PolarHBondContact O-N 3.42Å; R251-N254 VanDerWaalsContact O-N 3.13Å
252Y98.8Very high98.2Very high44 Ų4451.5 Ų51.517%0.17326%0.255CS..THydrogen-bonded Turntrans-57.7147.3173.3-86.825.3000111.5W192 N242 N254 L255 D261 I262 H265W192-Y252 WeakPolarHBondContact CB-O 3.13Å; N242-Y252 HydrophobicContact CB-CD1 3.55Å; N242-Y252 HydrophobicContact CB-CD2 3.8Å; N242-Y252 HydrophobicContact CB-CE1 3.65Å; N242-Y252 HydrophobicContact CB-CE2 3.91Å; N242-Y252 HydrophobicContact CB-CG 3.62Å; N242-Y252 VanDerWaalsContact CG-CE1 3.46Å; N242-Y252 PolarHBondContact O-N 3.07Å; N242-Y252 VanDerWaalsContact OD1-CE1 3.24Å; N242-Y252 WeakPolarHBondContact OD1-CE1 3.28Å; Y252-N254 PolarHBondContact O-N 2.95Å; Y252-L255 HydrophobicContact CD1-CD1 3.83Å; Y252-L255 HydrophobicContact CE1-CD1 4.04Å; Y252-D261 HydrophobicContact CD1-CB 4.27Å; Y252-D261 HydrophobicContact CD2-CB 3.93Å; Y252-D261 HydrophobicContact CE1-CB 4.42Å; Y252-D261 HydrophobicContact CE2-CB 4.07Å; Y252-D261 WeakPolarHBondContact CE2-O 3.36Å; Y252-D261 HydrophobicContact CG-CB 4.04Å; Y252-I262 HydrophobicContact CD2-CG1 4.28Å; Y252-H265 AromaticContact CE2-CD2 3.91Å
253G98.6Very high98.2Very high2 Ų251.4 Ų51.42%0.02125%0.253CS..THydrogen-bonded Turntrans83.3-17.4-170.700000114.4W192 G258W192-G253 PolarHBondContact NE1-O 2.8Å; G253-G258 VanDerWaalsContact CA-O 3.32Å; G253-G258 WeakPolarHBondContact CA-O 3.42Å; G253-G258 PolarHBondContact N-O 3.07Å
254N98.1Very high98.2Very high37 Ų3757.4 Ų57.420%0.19829%0.285CS..SBendtrans-117.43.2178.4-164.455.8000113.8N187 A189 L248 R251 Y252N187-N254 PolarHBondContact ND2-OD1 3.09Å; A189-N254 HydrophobicContact CB-CB 3.8Å; L248-N254 PolarHBondContact O-ND2 3.41Å; R251-N254 PolarHBondContact O-N 3.42Å; R251-N254 VanDerWaalsContact O-N 3.13Å; Y252-N254 PolarHBondContact O-N 2.95Å
255L97.8Very high98.2Very high58 Ų5857.8 Ų57.830%0.30429%0.286SS..SBendtrans-80.3-179.2172.9-53.7-174.2000111.4T249 Y252 N257 G258 D261T249-L255 WeakPolarHBondContact O-CD2 3.42Å; Y252-L255 HydrophobicContact CD1-CD1 3.83Å; Y252-L255 HydrophobicContact CE1-CD1 4.04Å; L255-N257 VanDerWaalsContact C-N 3.27Å; L255-N257 PolarHBondContact O-N 2.89Å; L255-G258 PolarHBondContact O-N 3.31Å; L255-D261 WeakPolarHBondContact CB-OD2 3.25Å
256R97.1Very high98.2Very high248 Ų24862.1 Ų62.194%0.93631%0.305SS*.THydrogen-bonded Turntrans-56-37.6179.3-174.6178.5178.8-177.8-0.3113.4G258R256-G258 VanDerWaalsContact C-N 3.3Å
257N97.7Very high98.2Very high98 Ų9860 Ų6052%0.52429%0.291SS..THydrogen-bonded Turntrans-85.8-3.7179.1-52.8-32.2000112.7L255 V259 I260 D261L255-N257 VanDerWaalsContact C-N 3.27Å; L255-N257 PolarHBondContact O-N 2.89Å; N257-V259 PolarHBondContact O-N 3.32Å; N257-I260 HydrophobicContact CB-CB 4.24Å; N257-I260 WeakPolarHBondContact O-CB 3.46Å; N257-I260 PolarHBondContact O-N 3.18Å; N257-I260 VanDerWaalsContact O-N 3.15Å; N257-D261 WeakPolarHBondContact CB-OD1 3.34Å; N257-D261 PolarHBondContact ND2-OD1 2.53Å
258G97.9Very high98.2Very high17 Ų1757.6 Ų57.618%0.17528%0.278CS..THydrogen-bonded Turntrans55.7-126.5178.800000112.8G253 L255 R256 I260 D261G253-G258 VanDerWaalsContact CA-O 3.32Å; G253-G258 WeakPolarHBondContact CA-O 3.42Å; G253-G258 PolarHBondContact N-O 3.07Å; L255-G258 PolarHBondContact O-N 3.31Å; R256-G258 VanDerWaalsContact C-N 3.3Å; G258-I260 PolarHBondContact O-N 3.46Å; G258-D261 PolarHBondContact O-N 2.99Å
259V98.6Very high98.3Very high20 Ų2060.6 Ų60.612%0.12130%0.303CS..THydrogen-bonded Turntrans-66.5-20.5-177.969.30000113.4V122 E126 W192 N257 D261 I262 K263V122-V259 HydrophobicContact CG1-CG2 3.69Å; E126-V259 HydrophobicContact CB-CG2 4.3Å; E126-V259 HydrophobicContact CG-CG1 4Å; E126-V259 WeakPolarHBondContact OE1-CG1 3.37Å; W192-V259 HydrophobicContact CH2-CB 4.2Å; W192-V259 HydrophobicContact CH2-CG2 3.53Å; W192-V259 HydrophobicContact CZ2-CB 4.14Å; W192-V259 HydrophobicContact CZ2-CG2 3.98Å; W192-V259 HydrophobicContact CZ3-CG2 4.34Å; N257-V259 PolarHBondContact O-N 3.32Å; V259-D261 VanDerWaalsContact C-N 3.26Å; V259-D261 PolarHBondContact O-N 3.31Å; V259-I262 WeakPolarHBondContact O-CB 3.08Å; V259-I262 PolarHBondContact O-N 3.31Å; V259-K263 HydrophobicContact CG1-CD 4.37Å; V259-K263 HydrophobicContact CG2-CD 4.08Å; V259-K263 HydrophobicContact CG2-CG 4.19Å; V259-K263 PolarHBondContact O-N 2.94Å
260I98.7Very high98.4Very high72 Ų7260.4 Ų60.437%0.36931%0.305SS..Hα-helixtrans-64.5-32.7-178.1-59-59.1000111.4N257 G258 I262 K263 N264N257-I260 HydrophobicContact CB-CB 4.24Å; N257-I260 WeakPolarHBondContact O-CB 3.46Å; N257-I260 PolarHBondContact O-N 3.18Å; N257-I260 VanDerWaalsContact O-N 3.15Å; G258-I260 PolarHBondContact O-N 3.46Å; I260-I262 PolarHBondContact O-N 3.09Å; I260-K263 PolarHBondContact O-N 3.41Å; I260-N264 VanDerWaalsContact CG2-ND2 3.27Å; I260-N264 WeakPolarHBondContact CG2-ND2 3.34Å; I260-N264 WeakPolarHBondContact O-CB 3.44Å; I260-N264 PolarHBondContact O-N 3.32Å
261D98.7Very high98.4Very high31 Ų3155.9 Ų55.917%0.16629%0.287CS..Hα-helixtrans-61.4-31.1174.5-66.1-36.7000111.8Y252 L255 N257 G258 V259Y252-D261 HydrophobicContact CD1-CB 4.27Å; Y252-D261 HydrophobicContact CD2-CB 3.93Å; Y252-D261 HydrophobicContact CE1-CB 4.42Å; Y252-D261 HydrophobicContact CE2-CB 4.07Å; Y252-D261 WeakPolarHBondContact CE2-O 3.36Å; Y252-D261 HydrophobicContact CG-CB 4.04Å; L255-D261 WeakPolarHBondContact CB-OD2 3.25Å; N257-D261 WeakPolarHBondContact CB-OD1 3.34Å; N257-D261 PolarHBondContact ND2-OD1 2.53Å; G258-D261 PolarHBondContact O-N 2.99Å; V259-D261 VanDerWaalsContact C-N 3.26Å; V259-D261 PolarHBondContact O-N 3.31Å
262I98.9Very high98.4Very high0 Ų059.6 Ų59.60%031%0.307CS..Hα-helixtrans-78.9-50.1175.4-56.3170.6000109.8V122 W192 L243 Y252 V259 I260 N264 H265 F268V122-I262 HydrophobicContact CG1-CG2 4.47Å; V122-I262 HydrophobicContact CG2-CG2 3.83Å; W192-I262 HydrophobicContact CD2-CD1 3.7Å; W192-I262 HydrophobicContact CE3-CD1 3.27Å; W192-I262 HydrophobicContact CG-CD1 4.37Å; W192-I262 HydrophobicContact CH2-CD1 4.2Å; W192-I262 HydrophobicContact CZ3-CD1 3.55Å; L243-I262 HydrophobicContact CD2-CD1 3.78Å; L243-I262 HydrophobicContact CD2-CG1 4.1Å; Y252-I262 HydrophobicContact CD2-CG1 4.28Å; V259-I262 WeakPolarHBondContact O-CB 3.08Å; V259-I262 PolarHBondContact O-N 3.31Å; I260-I262 PolarHBondContact O-N 3.09Å; I262-N264 VanDerWaalsContact C-N 3.27Å; I262-N264 PolarHBondContact O-N 3.09Å; I262-H265 VanDerWaalsContact O-CB 3.26Å; I262-H265 WeakPolarHBondContact O-CB 3.43Å; I262-H265 PolarHBondContact O-N 3.05Å; I262-H265 VanDerWaalsContact O-N 3.09Å; I262-F268 HydrophobicContact CG2-CD2 4.2Å; I262-F268 HydrophobicContact CG2-CE2 3.69Å; I262-F268 VanDerWaalsContact O-CD2 3.28Å; I262-F268 WeakPolarHBondContact O-CD2 3.36Å
263K98.9Very high98.4Very high34 Ų3459.3 Ų59.315%0.14831%0.306CS..Hα-helixtrans-63.3-32.2-175-68.9175.180.3168.10113.4V122 E126 V259 I260 W273V122-K263 HydrophobicContact CG1-CD 4.34Å; V122-K263 HydrophobicContact CG1-CG 3.82Å; E126-K263 IonicContact OE1-NZ 3.01Å; E126-K263 PolarHBondContact OE1-NZ 2.96Å; E126-K263 IonicContact OE2-NZ 2.81Å; E126-K263 PolarHBondContact OE2-NZ 3.13Å; V259-K263 HydrophobicContact CG1-CD 4.37Å; V259-K263 HydrophobicContact CG2-CD 4.08Å; V259-K263 HydrophobicContact CG2-CG 4.19Å; V259-K263 PolarHBondContact O-N 2.94Å; I260-K263 PolarHBondContact O-N 3.41Å; K263-W273 VanDerWaalsContact CA-CZ2 3.44Å; K263-W273 HydrophobicContact CB-CD2 4.45Å; K263-W273 HydrophobicContact CB-CH2 4.38Å; K263-W273 HydrophobicContact CB-CZ2 3.72Å; K263-W273 HydrophobicContact CD-CD2 4.41Å; K263-W273 HydrophobicContact CG-CD2 4.11Å; K263-W273 HydrophobicContact CG-CE3 4.27Å; K263-W273 HydrophobicContact CG-CH2 3.84Å; K263-W273 HydrophobicContact CG-CZ2 3.67Å; K263-W273 HydrophobicContact CG-CZ3 4.12Å; K263-W273 PolarHBondContact O-NE1 3.32Å
264N98.7Very high98.4Very high125 Ų12564.5 Ų64.567%0.66833%0.332SS*.THydrogen-bonded Turntrans-93.1-0178.6-68.9-10.6000113.5I260 I262I260-N264 VanDerWaalsContact CG2-ND2 3.27Å; I260-N264 WeakPolarHBondContact CG2-ND2 3.34Å; I260-N264 WeakPolarHBondContact O-CB 3.44Å; I260-N264 PolarHBondContact O-N 3.32Å; I262-N264 VanDerWaalsContact C-N 3.27Å; I262-N264 PolarHBondContact O-N 3.09Å
265H98.9Very high98.4Very high14 Ų1463.9 Ų63.97%0.06533%0.331CS..SBendtrans-62.9142.9178.2-171.1-90.4000110.8E235 D238 L239 Y252 I262 W267 F268 S269E235-H265 PolarHBondContact O-CE1 2.7Å; D238-H265 IonicContact OD2-NE2 3.15Å; D238-H265 PolarHBondContact OD2-NE2 3.04Å; D238-H265 VanDerWaalsContact OD2-NE2 3.15Å; L239-H265 HydrophobicContact CD1-CB 4.15Å; L239-H265 PolarHBondContact N-CE1 2.94Å; Y252-H265 AromaticContact CE2-CD2 3.91Å; I262-H265 VanDerWaalsContact O-CB 3.26Å; I262-H265 WeakPolarHBondContact O-CB 3.43Å; I262-H265 PolarHBondContact O-N 3.05Å; I262-H265 VanDerWaalsContact O-N 3.09Å; H265-W267 WeakPolarHBondContact ND1-CB 3.3Å; H265-W267 PolarHBondContact ND1-N 3.17Å; H265-W267 VanDerWaalsContact ND1-N 3.14Å; H265-W267 PolarHBondContact O-N 2.69Å; H265-F268 WeakPolarHBondContact O-CA 3.44Å; H265-F268 PolarHBondContact O-N 3.29Å; H265-S269 PolarHBondContact O-N 2.83Å
266K98.7Very high98.5Very high154 Ų15461.5 Ų61.567%0.6732%0.318SS*.G310 helixtrans-54.7-33.3-176.2-71.8-176.2178.6179.60113.7E235 F268 S269E235-K266 HydrophobicContact CG-CB 3.94Å; K266-F268 PolarHBondContact O-N 3.38Å; K266-S269 WeakPolarHBondContact O-CB 3.24Å; K266-S269 PolarHBondContact O-N 3.37Å; K266-S269 PolarHBondContact O-OG 3.48Å
267W98.8Very high98.6Very high3 Ų355 Ų551%0.01129%0.294CS..G310 helixtrans-60.9-29.9175.9-167.175.5000112.9E111 R115 A118 I199 E235 L236 L239 H265E111-W267 HydrophobicContact CB-CZ2 4.31Å; E111-W267 PolarHBondContact OE2-NE1 2.86Å; R115-W267 HydrophobicContact CB-CE3 4.37Å; R115-W267 HydrophobicContact CB-CH2 3.55Å; R115-W267 HydrophobicContact CB-CZ2 3.9Å; R115-W267 HydrophobicContact CB-CZ3 3.78Å; R115-W267 WeakPolarHBondContact CD-O 3.32Å; R115-W267 HydrophobicContact CG-CE3 4.06Å; R115-W267 HydrophobicContact CG-CH2 4.13Å; R115-W267 HydrophobicContact CG-CZ3 3.82Å; R115-W267 PolarHBondContact NE-O 2.86Å; A118-W267 HydrophobicContact CB-CH2 4.33Å; A118-W267 HydrophobicContact CB-CZ3 4.07Å; I199-W267 HydrophobicContact CD1-CZ3 4.32Å; I199-W267 HydrophobicContact CG2-CH2 3.92Å; I199-W267 HydrophobicContact CG2-CZ2 4.32Å; I199-W267 HydrophobicContact CG2-CZ3 4.41Å; E235-W267 HydrophobicContact CB-CB 4.09Å; L236-W267 HydrophobicContact CD1-CD2 4.39Å; L236-W267 HydrophobicContact CD1-CZ2 3.9Å; L239-W267 HydrophobicContact CB-CB 4.4Å; L239-W267 HydrophobicContact CD2-CB 4.14Å; L239-W267 HydrophobicContact CD2-CD2 3.94Å; L239-W267 HydrophobicContact CD2-CE3 3.43Å; L239-W267 VanDerWaalsContact CD2-CE3 3.43Å; L239-W267 HydrophobicContact CD2-CG 4.26Å; L239-W267 HydrophobicContact CD2-CZ3 4.05Å; H265-W267 WeakPolarHBondContact ND1-CB 3.3Å; H265-W267 PolarHBondContact ND1-N 3.17Å; H265-W267 VanDerWaalsContact ND1-N 3.14Å; H265-W267 PolarHBondContact O-N 2.69Å
268F98.9Very high98.6Very high3 Ų354.8 Ų54.81%0.01329%0.29CS..G310 helixtrans-95.310.7174.3-73.2-71.3000113.8R115 A118 A119 V122 L239 I262 H265 K266 S270 T271 W273R115-F268 HydrophobicContact CG-CD1 3.66Å; R115-F268 HydrophobicContact CG-CE1 3.81Å; A118-F268 HydrophobicContact CB-CE1 4.11Å; A118-F268 HydrophobicContact CB-CZ 3.89Å; A119-F268 HydrophobicContact CB-CE1 4.18Å; V122-F268 HydrophobicContact CG2-CZ 4.22Å; L239-F268 HydrophobicContact CD2-CD2 4.22Å; L239-F268 HydrophobicContact CD2-CE2 3.71Å; L239-F268 HydrophobicContact CD2-CZ 4.47Å; I262-F268 HydrophobicContact CG2-CD2 4.2Å; I262-F268 HydrophobicContact CG2-CE2 3.69Å; I262-F268 VanDerWaalsContact O-CD2 3.28Å; I262-F268 WeakPolarHBondContact O-CD2 3.36Å; H265-F268 WeakPolarHBondContact O-CA 3.44Å; H265-F268 PolarHBondContact O-N 3.29Å; K266-F268 PolarHBondContact O-N 3.38Å; F268-S270 PolarHBondContact O-N 2.85Å; F268-T271 HydrophobicContact CD1-CG2 4.45Å; F268-T271 VanDerWaalsContact O-CB 3.25Å; F268-T271 WeakPolarHBondContact O-CB 3.34Å; F268-T271 PolarHBondContact O-N 3Å; F268-T271 PolarHBondContact O-OG1 3.39Å; F268-W273 HydrophobicContact CB-CZ2 3.78Å; F268-W273 AromaticContact CD1-CH2 3.77Å; F268-W273 HydrophobicContact CD1-CH2 3.77Å; F268-W273 AromaticContact CD1-CZ2 3.86Å; F268-W273 HydrophobicContact CD1-CZ2 3.86Å; F268-W273 HydrophobicContact CD2-CH2 4.43Å; F268-W273 HydrophobicContact CD2-CZ2 4.38Å; F268-W273 AromaticContact CE1-CH2 3.99Å; F268-W273 HydrophobicContact CE1-CH2 3.99Å; F268-W273 HydrophobicContact CG-CH2 4.01Å; F268-W273 AromaticContact CG-CZ2 3.78Å; F268-W273 HydrophobicContact CG-CZ2 3.78Å; F268-W273 HydrophobicContact CZ-CH2 4.39Å
269S98.2Very high98.6Very high104 Ų10456.4 Ų56.473%0.72729%0.292SS*.THydrogen-bonded Turntrans-58.6-24.8-176.355.40000114.9H265 K266H265-S269 PolarHBondContact O-N 2.83Å; K266-S269 WeakPolarHBondContact O-CB 3.24Å; K266-S269 PolarHBondContact O-N 3.37Å; K266-S269 PolarHBondContact O-OG 3.48Å
270S97.7Very high98.6Very high86 Ų8662 Ų6260%0.60132%0.315SS*.THydrogen-bonded Turntrans-933.2176.750.80000113.7R115 F268R115-S270 PolarHBondContact NH1-OG 2.8Å; F268-S270 PolarHBondContact O-N 2.85Å
271T98.7Very high98.5Very high23 Ų2361.8 Ų61.814%0.14131%0.314CS..  trans-90113-175.6-61.50000111.1R115 A119 F268 W273 I276R115-T271 WeakPolarHBondContact CD-OG1 3.24Å; A119-T271 HydrophobicContact CB-CG2 3.76Å; F268-T271 HydrophobicContact CD1-CG2 4.45Å; F268-T271 VanDerWaalsContact O-CB 3.25Å; F268-T271 WeakPolarHBondContact O-CB 3.34Å; F268-T271 PolarHBondContact O-N 3Å; F268-T271 PolarHBondContact O-OG1 3.39Å; T271-W273 HydrophobicContact CG2-CD2 3.88Å; T271-W273 HydrophobicContact CG2-CE3 4.11Å; T271-W273 HydrophobicContact CG2-CG 4.37Å; T271-W273 HydrophobicContact CG2-CH2 4.23Å; T271-W273 HydrophobicContact CG2-CZ2 3.97Å; T271-W273 HydrophobicContact CG2-CZ3 4.3Å; T271-W273 PolarHBondContact O-N 3.2Å; T271-I276 HydrophobicContact CG2-CG1 4.29Å
272D98.6Very high98.5Very high79 Ų7967.8 Ų67.842%0.42235%0.346SS..  trans-81.597.5164.2-178.9-12.4000109.9I274 S275 I276D272-I274 VanDerWaalsContact C-N 3.27Å; D272-I274 PolarHBondContact O-N 3Å; D272-I274 PolarHBondContact OD1-N 3.32Å; D272-S275 VanDerWaalsContact CG-CB 3.45Å; D272-S275 VanDerWaalsContact CG-OG 3.24Å; D272-S275 PolarHBondContact O-N 3.36Å; D272-S275 PolarHBondContact OD1-N 3.15Å; D272-S275 VanDerWaalsContact OD2-CB 3.27Å; D272-S275 WeakPolarHBondContact OD2-CB 3.23Å; D272-S275 PolarHBondContact OD2-OG 3.47Å; D272-I276 WeakPolarHBondContact O-CG1 3.49Å; D272-I276 PolarHBondContact O-N 3.26Å
273W98.7Very high98.4Very high38 Ų3868.7 Ų68.714%0.14435%0.353CS..Hα-helixtrans-59-34.8-178.6-63.1100000113.8A119 V122 L123 K263 F268 T271 Y277A119-W273 HydrophobicContact CB-CE3 4.42Å; A119-W273 HydrophobicContact CB-CH2 4.19Å; A119-W273 HydrophobicContact CB-CZ3 3.81Å; A119-W273 WeakPolarHBondContact O-CZ3 3.4Å; V122-W273 HydrophobicContact CB-CH2 4.11Å; V122-W273 HydrophobicContact CB-CZ3 3.88Å; V122-W273 HydrophobicContact CG1-CH2 3.85Å; V122-W273 HydrophobicContact CG1-CZ3 3.71Å; V122-W273 HydrophobicContact CG2-CH2 4.43Å; L123-W273 HydrophobicContact CD1-CE3 4.21Å; L123-W273 HydrophobicContact CD2-CE3 3.94Å; L123-W273 HydrophobicContact CG-CE3 3.89Å; L123-W273 HydrophobicContact CG-CZ3 4.25Å; K263-W273 VanDerWaalsContact CA-CZ2 3.44Å; K263-W273 HydrophobicContact CB-CD2 4.45Å; K263-W273 HydrophobicContact CB-CH2 4.38Å; K263-W273 HydrophobicContact CB-CZ2 3.72Å; K263-W273 HydrophobicContact CD-CD2 4.41Å; K263-W273 HydrophobicContact CG-CD2 4.11Å; K263-W273 HydrophobicContact CG-CE3 4.27Å; K263-W273 HydrophobicContact CG-CH2 3.84Å; K263-W273 HydrophobicContact CG-CZ2 3.67Å; K263-W273 HydrophobicContact CG-CZ3 4.12Å; K263-W273 PolarHBondContact O-NE1 3.32Å; F268-W273 HydrophobicContact CB-CZ2 3.78Å; F268-W273 AromaticContact CD1-CH2 3.77Å; F268-W273 HydrophobicContact CD1-CH2 3.77Å; F268-W273 AromaticContact CD1-CZ2 3.86Å; F268-W273 HydrophobicContact CD1-CZ2 3.86Å; F268-W273 HydrophobicContact CD2-CH2 4.43Å; F268-W273 HydrophobicContact CD2-CZ2 4.38Å; F268-W273 AromaticContact CE1-CH2 3.99Å; F268-W273 HydrophobicContact CE1-CH2 3.99Å; F268-W273 HydrophobicContact CG-CH2 4.01Å; F268-W273 AromaticContact CG-CZ2 3.78Å; F268-W273 HydrophobicContact CG-CZ2 3.78Å; F268-W273 HydrophobicContact CZ-CH2 4.39Å; T271-W273 HydrophobicContact CG2-CD2 3.88Å; T271-W273 HydrophobicContact CG2-CE3 4.11Å; T271-W273 HydrophobicContact CG2-CG 4.37Å; T271-W273 HydrophobicContact CG2-CH2 4.23Å; T271-W273 HydrophobicContact CG2-CZ2 3.97Å; T271-W273 HydrophobicContact CG2-CZ3 4.3Å; T271-W273 PolarHBondContact O-N 3.2Å; W273-Y277 WeakPolarHBondContact O-CB 3.15Å; W273-Y277 PolarHBondContact O-N 2.89Å
274I98.7Very high98.3Very high111 Ų11170.1 Ų70.157%0.56937%0.366SS*.Hα-helixtrans-74.5-44.6-178.6-62.7176000109.3D272 I276 Y277 Q278D272-I274 VanDerWaalsContact C-N 3.27Å; D272-I274 PolarHBondContact O-N 3Å; D272-I274 PolarHBondContact OD1-N 3.32Å; I274-I276 VanDerWaalsContact C-N 3.32Å; I274-I276 PolarHBondContact O-N 3.37Å; I274-Y277 PolarHBondContact O-N 3.35Å; I274-Q278 HydrophobicContact CG2-CG 4.34Å; I274-Q278 WeakPolarHBondContact O-CB 3.33Å; I274-Q278 WeakPolarHBondContact O-CG 3.49Å; I274-Q278 PolarHBondContact O-N 2.96Å
275S98.6Very high98.2Very high24 Ų2465.2 Ų65.217%0.16834%0.34CS..Hα-helixtrans-64.7-36.4177.3-67.90000112.2D272 K279 K280D272-S275 VanDerWaalsContact CG-CB 3.45Å; D272-S275 VanDerWaalsContact CG-OG 3.24Å; D272-S275 PolarHBondContact O-N 3.36Å; D272-S275 PolarHBondContact OD1-N 3.15Å; D272-S275 VanDerWaalsContact OD2-CB 3.27Å; D272-S275 WeakPolarHBondContact OD2-CB 3.23Å; D272-S275 PolarHBondContact OD2-OG 3.47Å; S275-K279 PolarHBondContact O-N 3.15Å; S275-K280 PolarHBondContact O-N 2.8Å
276I98.7Very high98Very high7 Ų768.7 Ų68.74%0.03636%0.362CS..Hα-helixtrans-60.5-54.4170.5-67.7-70.9000110.1F73 F116 A119 Q120 L123 T271 D272 I274 Q278 K279 I281F73-I276 HydrophobicContact CE2-CG2 4.25Å; F73-I276 HydrophobicContact CZ-CG2 3.96Å; F73-I276 WeakPolarHBondContact CZ-O 3.29Å; F116-I276 HydrophobicContact CD2-CD1 3.57Å; F116-I276 HydrophobicContact CE2-CD1 3.73Å; A119-I276 HydrophobicContact CB-CG1 4.43Å; A119-I276 HydrophobicContact CB-CG2 4.39Å; Q120-I276 HydrophobicContact CG-CG2 3.69Å; L123-I276 HydrophobicContact CD1-CB 4.29Å; L123-I276 HydrophobicContact CD1-CG2 3.77Å; T271-I276 HydrophobicContact CG2-CG1 4.29Å; D272-I276 WeakPolarHBondContact O-CG1 3.49Å; D272-I276 PolarHBondContact O-N 3.26Å; I274-I276 VanDerWaalsContact C-N 3.32Å; I274-I276 PolarHBondContact O-N 3.37Å; I276-Q278 PolarHBondContact O-N 3.42Å; I276-K279 PolarHBondContact O-N 3.5Å; I276-I281 HydrophobicContact CD1-CB 4.08Å; I276-I281 HydrophobicContact CD1-CG1 3.81Å; I276-I281 HydrophobicContact CD1-CG2 4.43Å; I276-I281 HydrophobicContact CG1-CG1 4.24Å
277Y98.7Very high97.6Very high111 Ų11161.9 Ų61.944%0.43533%0.334SS..Hα-helixtrans-54.6-40.5179.9174.7-102.6000112.9F71 P72 W273 I274 K279F71-Y277 HydrophobicContact CD2-CE2 4.24Å; F71-Y277 HydrophobicContact CE2-CD2 4.07Å; F71-Y277 AromaticContact CE2-CE2 3.57Å; F71-Y277 HydrophobicContact CE2-CE2 3.57Å; F71-Y277 AromaticContact CZ-CD2 3.88Å; F71-Y277 HydrophobicContact CZ-CD2 3.88Å; F71-Y277 AromaticContact CZ-CE2 3.87Å; F71-Y277 HydrophobicContact CZ-CE2 3.87Å; P72-Y277 HydrophobicContact CG-CD2 4.03Å; P72-Y277 HydrophobicContact CG-CE2 3.62Å; W273-Y277 WeakPolarHBondContact O-CB 3.15Å; W273-Y277 PolarHBondContact O-N 2.89Å; I274-Y277 PolarHBondContact O-N 3.35Å; Y277-K279 PolarHBondContact O-N 3.48Å
278Q98.4Very high97.3Very high95 Ų9570.7 Ų70.744%0.44437%0.372SS..THydrogen-bonded Turntrans-81.63.4179.7-66.7-179.6-10.100113.9I274 I276 K280I274-Q278 HydrophobicContact CG2-CG 4.34Å; I274-Q278 WeakPolarHBondContact O-CB 3.33Å; I274-Q278 WeakPolarHBondContact O-CG 3.49Å; I274-Q278 PolarHBondContact O-N 2.96Å; I276-Q278 PolarHBondContact O-N 3.42Å; Q278-K280 VanDerWaalsContact C-N 3.33Å; Q278-K280 HydrophobicContact CB-CD 4.02Å; Q278-K280 HydrophobicContact CB-CG 3.97Å; Q278-K280 PolarHBondContact O-N 3.46Å
279K98.2Very high96.9Very high50 Ų5072.5 Ų72.522%0.21739%0.385CS..THydrogen-bonded Turntrans53.343.6-175.3-59.5-166.7174.4-171.20114.1F73 D146 Y150 S275 I276 Y277F73-K279 HydrophobicContact CE1-CG 4.21Å; D146-K279 IonicContact OD2-NZ 3.73Å; D146-K279 PolarHBondContact OD2-NZ 3.34Å; Y150-K279 HydrophobicContact CD1-CB 4.45Å; Y150-K279 HydrophobicContact CD1-CD 4.25Å; Y150-K279 HydrophobicContact CD1-CG 3.84Å; Y150-K279 HydrophobicContact CD2-CB 4.45Å; Y150-K279 HydrophobicContact CD2-CD 4.29Å; Y150-K279 HydrophobicContact CD2-CG 4.38Å; Y150-K279 HydrophobicContact CE1-CB 4.04Å; Y150-K279 HydrophobicContact CE1-CG 3.83Å; Y150-K279 HydrophobicContact CE2-CB 4.06Å; Y150-K279 HydrophobicContact CE2-CG 4.4Å; Y150-K279 HydrophobicContact CG-CD 4.05Å; Y150-K279 HydrophobicContact CG-CG 4.12Å; Y150-K279 VanDerWaalsContact CZ-CA 3.49Å; Y150-K279 VanDerWaalsContact OH-C 3.31Å; Y150-K279 WeakPolarHBondContact OH-CA 3.45Å; S275-K279 PolarHBondContact O-N 3.15Å; I276-K279 PolarHBondContact O-N 3.5Å; Y277-K279 PolarHBondContact O-N 3.48Å
280K98.1Very high96.6Very high139 Ų13976.8 Ų76.860%0.60439%0.385SS*.  trans-99.3-6.2-178.1-71.1-179.3172.7173.20114.6S275 Q278S275-K280 PolarHBondContact O-N 2.8Å; Q278-K280 VanDerWaalsContact C-N 3.33Å; Q278-K280 HydrophobicContact CB-CD 4.02Å; Q278-K280 HydrophobicContact CB-CG 3.97Å; Q278-K280 PolarHBondContact O-N 3.46Å
281I97.6Very high96.4Very high66 Ų6677 Ų7734%0.33838%0.377SS..SBendtrans-92.5135177.9-55.7-57.9000109F116 Y150 I276 A283F116-I281 HydrophobicContact CD2-CG2 4.15Å; F116-I281 HydrophobicContact CE2-CB 4.18Å; F116-I281 HydrophobicContact CE2-CG2 4.08Å; Y150-I281 WeakPolarHBondContact CE2-O 3.39Å; Y150-I281 WeakPolarHBondContact OH-CA 3.38Å; Y150-I281 PolarHBondContact OH-N 2.88Å; Y150-I281 PolarHBondContact OH-O 2.76Å; I276-I281 HydrophobicContact CD1-CB 4.08Å; I276-I281 HydrophobicContact CD1-CG1 3.81Å; I276-I281 HydrophobicContact CD1-CG2 4.43Å; I276-I281 HydrophobicContact CG1-CG1 4.24Å; I281-A283 PolarHBondContact O-N 3.19Å
282D97.4Very high96.1Very high157 Ų15780.4 Ų80.484%0.8440%0.399SS*.PPolyproline II helixtrans-64.3126.9173.1-67.8-37.7000110.2
283A97.9Very high96Very high19 Ų1977 Ų7716%0.15738%0.382CS..PPolyproline II helixtrans-73.7140.4-178.300000111.2F116 Q148 I281 L285 V286F116-A283 HydrophobicContact CE1-CB 3.9Å; F116-A283 HydrophobicContact CZ-CB 3.81Å; Q148-A283 WeakPolarHBondContact O-CB 3.19Å; I281-A283 PolarHBondContact O-N 3.19Å; A283-L285 PolarHBondContact O-N 3.15Å; A283-V286 HydrophobicContact CB-CG2 4.4Å
284P97Very high95.8Very high64 Ų6475.3 Ų75.342%0.41638%0.377SS..SBendtrans-68.7-18.3178.928.7-36.1000113.4H113 F116H113-P284 HydrophobicContact CB-CB 4.08Å; H113-P284 HydrophobicContact CB-CG 4.2Å; H113-P284 WeakPolarHBondContact CD2-CG 3.43Å; F116-P284 HydrophobicContact CB-CG 4.28Å; F116-P284 HydrophobicContact CD1-CG 3.76Å; F116-P284 HydrophobicContact CE1-CG 4.39Å; F116-P284 HydrophobicContact CG-CG 4.17Å
285L94.8Very high95.7Very high22 Ų2270.6 Ų70.612%0.11535%0.354CS..  trans-142.6121.5178.2175.5153.6000108.9H102 I106 I145 G149 A283H102-L285 HydrophobicContact CB-CD1 3.98Å; I106-L285 HydrophobicContact CD1-CD1 3.53Å; I145-L285 HydrophobicContact CG2-CD2 4Å; G149-L285 WeakPolarHBondContact CA-O 3.28Å; A283-L285 PolarHBondContact O-N 3.15Å
286V95.1Very high95.5Very high88 Ų8872.7 Ų72.753%0.53337%0.368SS..  trans-114.5116.8171-178.90000107.2S147 A283S147-V286 WeakPolarHBondContact O-CG1 3.26Å; A283-V286 HydrophobicContact CB-CG2 4.4Å
287A91.6Very high95.2Very high10 Ų1074 Ų748%0.08338%0.376CS..  trans-65.8141.8179.700000110.5G96 C289G96-A287 VanDerWaalsContact CA-CB 3.42Å; A287-C289 PolarHBondContact O-N 3.33Å
288K91.3Very high94.9Very high188 Ų18869.9 Ų69.982%0.81736%0.36SS*.  trans-73.5120.1174.3-67.4-177.1-178.9179.30108.6N297K288-N297 PolarHBondContact O-ND2 2.96Å
289C91Very high94.6Very high41 Ų4170.3 Ų70.328%0.27737%0.365SS..  trans-133.5124.8175.9-58.50000108.5N95 A287N95-C289 WeakPolarHBondContact ND2-CB 3.49Å; N95-C289 PolarHBondContact OD1-SG 3.42Å; N95-C289 VanDerWaalsContact OD1-SG 3.4Å; A287-C289 PolarHBondContact O-N 3.33Å
290R91.7Very high94.3Very high195 Ų19574.7 Ų74.774%0.73639%0.391SS*.SBendtrans-78.5-32.6-176.1-66.5171.2-73.1178.20.6113.1D294R290-D294 VanDerWaalsContact CB-OD2 3.3Å; R290-D294 WeakPolarHBondContact CB-OD2 3.22Å; R290-D294 WeakPolarHBondContact CG-OD2 3.44Å; R290-D294 IonicContact CZ-OD1 3.67Å; R290-D294 IonicContact CZ-OD2 3.83Å; R290-D294 PolarHBondContact N-OD2 3Å; R290-D294 IonicContact NE-OD1 3.49Å; R290-D294 IonicContact NE-OD2 2.98Å; R290-D294 PolarHBondContact NE-OD2 2.79Å; R290-D294 IonicContact NH2-OD1 2.92Å; R290-D294 PolarHBondContact NH2-OD1 3.36Å; R290-D294 IonicContact NH2-OD2 3.77Å
291H93.5Very high94.1Very high90 Ų9071.8 Ų71.842%0.41738%0.377SS..SBendtrans-156.6169.8178.760.494000109.8G293 D294H291-G293 PolarHBondContact CE1-O 3.26Å; H291-G293 PolarHBondContact ND1-N 3.27Å; H291-G293 PolarHBondContact O-N 3.12Å; H291-G293 VanDerWaalsContact O-N 3.16Å; H291-D294 PolarHBondContact CE1-N 3.28Å; H291-D294 VanDerWaalsContact CE1-N 3.32Å; H291-D294 PolarHBondContact ND1-N 2.88Å; H291-D294 VanDerWaalsContact O-CB 3.28Å; H291-D294 WeakPolarHBondContact O-CB 3.46Å; H291-D294 PolarHBondContact O-N 2.73Å
292P93.4Very high93.8Very high94 Ų9475.6 Ų75.661%0.6140%0.398SS*.THydrogen-bonded Turntrans-59.7-26.5-177-28.837.4000115.5Y39 F93Y39-P292 HydrophobicContact CD2-CB 4.02Å; Y39-P292 HydrophobicContact CE2-CB 4.36Å; F93-P292 VanDerWaalsContact CD1-O 3.3Å; F93-P292 WeakPolarHBondContact CD1-O 3.38Å; F93-P292 WeakPolarHBondContact CE1-O 3.27Å
293G95.3Very high93.6Very high7 Ų772.8 Ų72.87%0.07238%0.38CS..THydrogen-bonded Turntrans-97.213.8176.500000114.7L30 H291 A295L30-G293 WeakPolarHBondContact CD2-O 3.31Å; H291-G293 PolarHBondContact CE1-O 3.26Å; H291-G293 PolarHBondContact ND1-N 3.27Å; H291-G293 PolarHBondContact O-N 3.12Å; H291-G293 VanDerWaalsContact O-N 3.16Å; G293-A295 PolarHBondContact O-N 3.37Å
294D95.9Very high93.2Very high4 Ų477.8 Ų77.82%0.02140%0.4CS..  trans-71.3116-179.4-169.7-2.8000110.3R290 H291 S296R290-D294 VanDerWaalsContact CB-OD2 3.3Å; R290-D294 WeakPolarHBondContact CB-OD2 3.22Å; R290-D294 WeakPolarHBondContact CG-OD2 3.44Å; R290-D294 IonicContact CZ-OD1 3.67Å; R290-D294 IonicContact CZ-OD2 3.83Å; R290-D294 PolarHBondContact N-OD2 3Å; R290-D294 IonicContact NE-OD1 3.49Å; R290-D294 IonicContact NE-OD2 2.98Å; R290-D294 PolarHBondContact NE-OD2 2.79Å; R290-D294 IonicContact NH2-OD1 2.92Å; R290-D294 PolarHBondContact NH2-OD1 3.36Å; R290-D294 IonicContact NH2-OD2 3.77Å; H291-D294 PolarHBondContact CE1-N 3.28Å; H291-D294 VanDerWaalsContact CE1-N 3.32Å; H291-D294 PolarHBondContact ND1-N 2.88Å; H291-D294 VanDerWaalsContact O-CB 3.28Å; H291-D294 WeakPolarHBondContact O-CB 3.46Å; H291-D294 PolarHBondContact O-N 2.73Å; D294-S296 VanDerWaalsContact CG-OG 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.42Å; D294-S296 PolarHBondContact OD1-N 2.68Å; D294-S296 PolarHBondContact OD1-OG 3.25Å; D294-S296 PolarHBondContact OD2-OG 3.32Å
295A94.7Very high92.8Very high11 Ų1180.6 Ų80.69%0.09142%0.418CS..  trans-105.722.4178.500000112.7K18 L20 L30 F93 G293 N297 F298K18-A295 HydrophobicContact CD-CB 4.04Å; L20-A295 HydrophobicContact CD2-CB 3.84Å; L30-A295 HydrophobicContact CD2-CB 4.14Å; F93-A295 HydrophobicContact CZ-CB 4.41Å; G293-A295 PolarHBondContact O-N 3.37Å; A295-N297 VanDerWaalsContact C-N 3.25Å; A295-N297 PolarHBondContact O-N 3.46Å; A295-F298 HydrophobicContact CB-CD2 4.36Å; A295-F298 PolarHBondContact O-N 3.19Å
296S94.5Very high92.7Very high68 Ų6881.4 Ų81.448%0.47642%0.423SS..THydrogen-bonded Turntrans-72-14.2179.756.50000114.9D294 F298D294-S296 VanDerWaalsContact CG-OG 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.42Å; D294-S296 PolarHBondContact OD1-N 2.68Å; D294-S296 PolarHBondContact OD1-OG 3.25Å; D294-S296 PolarHBondContact OD2-OG 3.32Å; S296-F298 VanDerWaalsContact C-N 3.25Å
297N94Very high92.6Very high35 Ų3584 Ų8419%0.18743%0.428CS..THydrogen-bonded Turntrans-876.6171.5-62.4-62.7000112.8N95 K288 A295N95-N297 PolarHBondContact O-ND2 2.91Å; K288-N297 PolarHBondContact O-ND2 2.96Å; A295-N297 VanDerWaalsContact C-N 3.25Å; A295-N297 PolarHBondContact O-N 3.46Å
298F92.1Very high92.8Very high24 Ų2487.1 Ų87.111%0.10544%0.443CS..SBendtrans-117.7146.9176.2-64.8-94.4000110.1K18 L20 F93 V94 L144 A295 S296K18-F298 PolarHBondContact NZ-O 2.94Å; L20-F298 HydrophobicContact CB-CD1 4.12Å; L20-F298 HydrophobicContact CB-CE1 4.45Å; L20-F298 HydrophobicContact CD2-CB 4.14Å; L20-F298 HydrophobicContact CD2-CD1 4.14Å; L20-F298 HydrophobicContact CD2-CD2 3.88Å; L20-F298 HydrophobicContact CD2-CE2 4.31Å; L20-F298 HydrophobicContact CD2-CG 3.79Å; F93-F298 HydrophobicContact CE2-CD2 4.37Å; F93-F298 AromaticContact CE2-CE2 3.61Å; F93-F298 HydrophobicContact CE2-CE2 3.61Å; F93-F298 AromaticContact CE2-CZ 3.96Å; F93-F298 HydrophobicContact CE2-CZ 3.96Å; F93-F298 HydrophobicContact CZ-CD2 4.49Å; F93-F298 AromaticContact CZ-CE2 3.91Å; F93-F298 HydrophobicContact CZ-CE2 3.91Å; V94-F298 VanDerWaalsContact O-CZ 3.29Å; V94-F298 WeakPolarHBondContact O-CZ 3.49Å; L144-F298 HydrophobicContact CD2-CE1 4.46Å; A295-F298 HydrophobicContact CB-CD2 4.36Å; A295-F298 PolarHBondContact O-N 3.19Å; S296-F298 VanDerWaalsContact C-N 3.25Å
299D90.9Very high93Very high105 Ų10579 Ų7956%0.56141%0.41SS*.  trans-63.7163.4176.7-65.8-26.9000111.8K18 Y301K18-D299 WeakPolarHBondContact CE-O 3Å; K18-D299 PolarHBondContact NZ-O 2.79Å; D299-Y301 HydrophobicContact CB-CE2 3.92Å
300D92.5Very high93.3Very high141 Ų14182.5 Ų82.575%0.75444%0.435SS*.  trans-92.2131.7174.2-67.5-43.7000109.7K18K18-D300 WeakPolarHBondContact CE-OD1 3.46Å; K18-D300 IonicContact NZ-OD1 3.38Å; K18-D300 PolarHBondContact NZ-OD1 2.65Å
301Y93.7Very high93.5Very high79 Ų7977.1 Ų77.131%0.3142%0.424SS..  trans-125.3152.9178.5-65.7-90.2000109.8T19 L20 T22 D299 E303T19-Y301 HydrophobicContact CG2-CD2 4.28Å; T19-Y301 HydrophobicContact CG2-CG 4.09Å; L20-Y301 WeakPolarHBondContact O-CE2 3.4Å; T22-Y301 HydrophobicContact CG2-CD1 3.94Å; T22-Y301 HydrophobicContact CG2-CG 4.35Å; D299-Y301 HydrophobicContact CB-CE2 3.92Å; Y301-E303 PolarHBondContact O-N 3.07Å
302D92.5Very high93.6Very high145 Ų14576.3 Ų76.378%0.77542%0.422SS*.  trans-63.1127.9173.9-67.7-36.7000111R27R27-D302 PolarHBondContact NH2-O 2.73Å
303E92.7Very high93.8Very high98 Ų9874.6 Ų74.646%0.45841%0.405SS..  trans-78124.6174.2-61.8-59164.600109.8K18 T19 Y301K18-E303 VanDerWaalsContact CA-OE1 3.31Å; K18-E303 WeakPolarHBondContact CA-OE1 2.99Å; T19-E303 PolarHBondContact N-OE1 3.09Å; T19-E303 PolarHBondContact N-OE2 2.84Å; T19-E303 PolarHBondContact OG1-OE2 2.79Å; Y301-E303 PolarHBondContact O-N 3.07Å
304E88.7Confident93.9Very high124 Ų12475.6 Ų75.658%0.57941%0.411SS*.  trans-114.1143.2174.8-42175.1144.700110.1R27 L306R27-E304 IonicContact NH1-OE2 2.85Å; R27-E304 PolarHBondContact NH1-OE2 3.46Å; E304-L306 PolarHBondContact O-N 3.35Å
305P90Very high93.9Very high124 Ų12477.6 Ų77.681%0.80543%0.428SS*.PPolyproline II helixtrans-61.7139.7173.926.5-33.6000110.5
306L92Very high94Very high39 Ų3986 Ų8620%0.20446%0.462CS..PPolyproline II helixtrans-85.5118.7175.2-173.567.4000108.8L11 I44 Y88 E304L11-L306 HydrophobicContact CD1-CD2 4.33Å; L11-L306 HydrophobicContact CD2-CD2 3.64Å; I44-L306 HydrophobicContact CD1-CD2 4.31Å; I44-L306 HydrophobicContact CG2-CD1 3.79Å; Y88-L306 HydrophobicContact CE1-CD2 4.11Å; Y88-L306 WeakPolarHBondContact OH-CD2 3.45Å; E304-L306 PolarHBondContact O-N 3.35Å
307H92.3Very high94.1Very high142 Ų14286.6 Ų86.666%0.65746%0.458SS*.PPolyproline II helixtrans-92.6131.7176.9-176.167.6000110.7N86N86-H307 PolarHBondContact ND2-O 3.29Å
308I96.2Very high94.2Very high76 Ų7685 Ų8539%0.3945%0.449SS..  trans-122117.9174.7-53.8172.9000107.4L11 D83 N84L11-I308 HydrophobicContact CD2-CD1 3.71Å; D83-I308 HydrophobicContact CB-CG2 4.35Å; D83-I308 WeakPolarHBondContact OD2-CD1 3.35Å; D83-I308 VanDerWaalsContact OD2-CG1 3.25Å; D83-I308 WeakPolarHBondContact OD2-CG1 3.23Å; D83-I308 WeakPolarHBondContact OD2-CG2 3.49Å; N84-I308 HydrophobicContact CB-CG2 4.28Å
309S96.5Very high94.3Very high18 Ų1886.4 Ų86.413%0.12647%0.465CS..  trans-70.3152.3-179.2-165.80000111N84 S85 V311 K313N84-S309 WeakPolarHBondContact CB-O 3.26Å; N84-S309 PolarHBondContact ND2-O 2.91Å; S85-S309 WeakPolarHBondContact OG-CB 3.48Å; S85-S309 PolarHBondContact OG-N 3.2Å; S309-V311 PolarHBondContact O-N 3.33Å; S309-V311 PolarHBondContact OG-N 3.49Å; S309-K313 WeakPolarHBondContact OG-CE 3.42Å
310S96.4Very high94.3Very high114 Ų11485.9 Ų85.980%0.79746%0.463SS*.SBendtrans-72.6-10.8169.854.90000113.6
311V96.2Very high94.3Very high82 Ų8279.3 Ų79.350%0.49743%0.427SS..SBendtrans-121.5132-178.3-179.10000109.5S309 K313S309-V311 PolarHBondContact O-N 3.33Å; S309-V311 PolarHBondContact OG-N 3.49Å; V311-K313 WeakPolarHBondContact O-CE 3.45Å; V311-K313 PolarHBondContact O-N 2.85Å; V311-K313 VanDerWaalsContact O-N 3.15Å
312D96.2Very high94.4Very high73 Ų7379.3 Ų79.339%0.3943%0.433SS..  trans-63.8113.8177.5-169.46.8000111.5K47 A315K47-D312 IonicContact NZ-OD1 3.8Å; K47-D312 PolarHBondContact NZ-OD1 3.4Å; D312-A315 HydrophobicContact CB-CB 4.44Å; D312-A315 WeakPolarHBondContact OD2-CB 3.49Å
313K97.2Very high94.5Very high57 Ų5775.8 Ų75.825%0.24842%0.415CS..SBendtrans-87.5136.4178.7-54.5-54.2178.5-174.90109.2K47 Q48 N84 S309 V311 A315K47-K313 WeakPolarHBondContact CD-O 3.4Å; K47-K313 PolarHBondContact NZ-O 3.12Å; Q48-K313 HydrophobicContact CG-CB 3.96Å; Q48-K313 HydrophobicContact CG-CG 4.23Å; N84-K313 WeakPolarHBondContact O-CB 3.36Å; N84-K313 WeakPolarHBondContact O-CG 3.49Å; N84-K313 PolarHBondContact O-N 3.07Å; S309-K313 WeakPolarHBondContact OG-CE 3.42Å; V311-K313 WeakPolarHBondContact O-CE 3.45Å; V311-K313 PolarHBondContact O-N 2.85Å; V311-K313 VanDerWaalsContact O-N 3.15Å; K313-A315 PolarHBondContact O-N 2.8Å; K313-A315 VanDerWaalsContact O-N 3.16Å
314C96.8Very high94.6Very high28 Ų2874.6 Ų74.619%0.18941%0.413CS..SBendtrans55.734172.1-50.20000113.6K47 V51 K316 E317 F318K47-C314 HydrophobicContact CB-CB 4.15Å; V51-C314 HydrophobicContact CG2-CB 3.99Å; C314-K316 PolarHBondContact O-N 2.68Å; C314-E317 WeakPolarHBondContact CA-OE2 3.14Å; C314-E317 HydrophobicContact CB-CB 4.33Å; C314-E317 PolarHBondContact O-N 2.86Å; C314-F318 HydrophobicContact CB-CD2 3.78Å; C314-F318 HydrophobicContact CB-CE2 3.77Å; C314-F318 WeakPolarHBondContact O-CD2 3.07Å; C314-F318 PolarHBondContact O-N 3.37Å
315A95.4Very high94.9Very high47 Ų4771.7 Ų71.739%0.38840%0.403SS..THydrogen-bonded Turntrans-55.6-39.1-176.800000112.5D312 K313 A319D312-A315 HydrophobicContact CB-CB 4.44Å; D312-A315 WeakPolarHBondContact OD2-CB 3.49Å; K313-A315 PolarHBondContact O-N 2.8Å; K313-A315 VanDerWaalsContact O-N 3.16Å; A315-A319 PolarHBondContact O-N 3.44Å; A315-A319 VanDerWaalsContact O-N 3.08Å
316K96.7Very high95.2Very high186 Ų18668.4 Ų68.481%0.80938%0.378SS*.THydrogen-bonded Turntrans-68.7-42-179.1-174.4-179.7178.5-177.80111.7C314 F318C314-K316 PolarHBondContact O-N 2.68Å; K316-F318 VanDerWaalsContact C-N 3.3Å; K316-F318 PolarHBondContact O-N 3.3Å
317E97.2Very high95.4Very high82 Ų8270.4 Ų70.438%0.38339%0.389SS..THydrogen-bonded Turntrans-67.6-31.9-178.1-6780.3177.700112.1V51 V56 C314V51-E317 HydrophobicContact CG2-CB 4.21Å; V51-E317 HydrophobicContact CG2-CG 4.04Å; V56-E317 HydrophobicContact CG1-CB 4.27Å; V56-E317 HydrophobicContact CG2-CB 4.5Å; C314-E317 WeakPolarHBondContact CA-OE2 3.14Å; C314-E317 HydrophobicContact CB-CB 4.33Å; C314-E317 PolarHBondContact O-N 2.86Å
318F96.2Very high95.7Very high1 Ų165.3 Ų65.30%0.00437%0.37CS..THydrogen-bonded Turntrans-114.624.6-176.9-57.8-68.2000113.5K47 V50 V51 V56 L60 K82 L87 C314 K316 D320 F321K47-F318 HydrophobicContact CB-CD2 4Å; K47-F318 HydrophobicContact CB-CE2 3.69Å; K47-F318 HydrophobicContact CD-CD2 3.87Å; K47-F318 HydrophobicContact CD-CE2 4.42Å; K47-F318 HydrophobicContact CG-CD2 3.75Å; K47-F318 HydrophobicContact CG-CE2 3.87Å; V50-F318 HydrophobicContact CB-CZ 3.89Å; V50-F318 HydrophobicContact CG1-CE1 3.89Å; V50-F318 HydrophobicContact CG1-CZ 3.52Å; V51-F318 HydrophobicContact CG2-CE2 3.79Å; V51-F318 HydrophobicContact CG2-CZ 4.03Å; V56-F318 HydrophobicContact CB-CE1 4.37Å; V56-F318 HydrophobicContact CG1-CD1 4.43Å; V56-F318 HydrophobicContact CG1-CE1 3.94Å; V56-F318 HydrophobicContact CG1-CZ 4.41Å; V56-F318 HydrophobicContact CG2-CE1 4.27Å; V56-F318 HydrophobicContact CG2-CZ 3.98Å; L60-F318 HydrophobicContact CD2-CD1 4.44Å; K82-F318 PolarHBondContact NZ-O 2.89Å; L87-F318 HydrophobicContact CD1-CD1 3.52Å; L87-F318 HydrophobicContact CD1-CD2 4.44Å; L87-F318 HydrophobicContact CD1-CE1 3.52Å; L87-F318 HydrophobicContact CD1-CE2 4.44Å; L87-F318 HydrophobicContact CD1-CG 4.01Å; L87-F318 HydrophobicContact CD1-CZ 4Å; L87-F318 HydrophobicContact CD2-CB 3.98Å; L87-F318 HydrophobicContact CD2-CD1 4.21Å; L87-F318 HydrophobicContact CD2-CD2 4.45Å; L87-F318 HydrophobicContact CD2-CG 3.95Å; L87-F318 HydrophobicContact CG-CD1 4.46Å; C314-F318 HydrophobicContact CB-CD2 3.78Å; C314-F318 HydrophobicContact CB-CE2 3.77Å; C314-F318 WeakPolarHBondContact O-CD2 3.07Å; C314-F318 PolarHBondContact O-N 3.37Å; K316-F318 VanDerWaalsContact C-N 3.3Å; K316-F318 PolarHBondContact O-N 3.3Å; F318-D320 PolarHBondContact O-N 2.83Å; F318-F321 HydrophobicContact CB-CB 4.05Å; F318-F321 WeakPolarHBondContact O-CB 3.25Å; F318-F321 PolarHBondContact O-N 3.06Å; F318-F321 VanDerWaalsContact O-N 3.12Å
319A94.8Very high95.6Very high54 Ų5464.5 Ų64.545%0.44637%0.368SS..THydrogen-bonded Turntrans-56.1-42.417700000111.6K82 A315 F321K82-A319 PolarHBondContact NZ-O 3.11Å; A315-A319 PolarHBondContact O-N 3.44Å; A315-A319 VanDerWaalsContact O-N 3.08Å; A319-F321 VanDerWaalsContact C-N 3.35Å
320D90.8Very high95.5Very high94 Ų9468.3 Ų68.350%0.50339%0.389SS..THydrogen-bonded Turntrans-89.45.8-179.7-63.3-22.1000114.4R64 F318R64-D320 IonicContact NH2-OD2 3.38Å; R64-D320 PolarHBondContact NH2-OD2 3.03Å; F318-D320 PolarHBondContact O-N 2.83Å
321F92.7Very high95.5Very high2 Ų264.2 Ų64.21%0.00935%0.352CS..  trans-65.60172.7-171.2-84.4000109.1T59 L60 K63 A80 F81 K82 L87 M89 F318 A319T59-F321 HydrophobicContact CG2-CD2 4.25Å; T59-F321 HydrophobicContact CG2-CE2 3.85Å; L60-F321 HydrophobicContact CD2-CB 3.91Å; L60-F321 HydrophobicContact CD2-CD2 4.12Å; K63-F321 HydrophobicContact CB-CD2 4.43Å; K63-F321 HydrophobicContact CB-CE2 3.9Å; K63-F321 HydrophobicContact CB-CZ 4.27Å; K63-F321 WeakPolarHBondContact CD-OXT 3.4Å; K63-F321 WeakPolarHBondContact CE-OXT 3.37Å; K63-F321 HydrophobicContact CG-CD2 4.43Å; K63-F321 HydrophobicContact CG-CE1 4.34Å; K63-F321 HydrophobicContact CG-CE2 3.97Å; K63-F321 HydrophobicContact CG-CZ 3.93Å; K63-F321 PolarHBondContact NZ-OXT 2.64Å; A80-F321 HydrophobicContact CB-CE1 4.43Å; F81-F321 WeakPolarHBondContact O-CE1 3.38Å; K82-F321 HydrophobicContact CB-CD1 4.37Å; K82-F321 HydrophobicContact CD-CB 4.17Å; K82-F321 HydrophobicContact CD-CD1 4.44Å; K82-F321 PolarHBondContact NZ-O 3.32Å; L87-F321 HydrophobicContact CB-CD1 4.44Å; L87-F321 HydrophobicContact CB-CD2 4.29Å; L87-F321 HydrophobicContact CB-CE1 4Å; L87-F321 HydrophobicContact CB-CE2 3.85Å; L87-F321 HydrophobicContact CB-CZ 3.69Å; L87-F321 HydrophobicContact CD1-CD2 3.79Å; L87-F321 HydrophobicContact CD1-CE2 3.89Å; L87-F321 HydrophobicContact CD1-CG 4.41Å; L87-F321 HydrophobicContact CD2-CB 4.15Å; L87-F321 HydrophobicContact CD2-CD1 3.95Å; L87-F321 HydrophobicContact CD2-CD2 3.99Å; L87-F321 HydrophobicContact CD2-CE1 4.36Å; L87-F321 HydrophobicContact CD2-CE2 4.41Å; L87-F321 HydrophobicContact CD2-CG 3.75Å; L87-F321 HydrophobicContact CG-CD2 4.23Å; L87-F321 HydrophobicContact CG-CE2 4.26Å; L87-F321 HydrophobicContact CG-CG 4.45Å; L87-F321 HydrophobicContact CG-CZ 4.49Å; M89-F321 HydrophobicContact CG-CZ 3.92Å; F318-F321 HydrophobicContact CB-CB 4.05Å; F318-F321 WeakPolarHBondContact O-CB 3.25Å; F318-F321 PolarHBondContact O-N 3.06Å; F318-F321 VanDerWaalsContact O-N 3.12Å; A319-F321 VanDerWaalsContact C-N 3.35Å

Retrieved 321 of 321 residues in 637.3 ms (Link to these results)

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