A0A077ZAN2_TRITR Loading...

Ribulose-phosphate 3-epimerase

Catalyzes the reversible epimerization of D-ribulose 5-phosphate to D-xylulose 5-phosphate.

AlphaFold DB , UniProt , Accession A0A077ZAN2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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
1M49.4Very low86.8Confident188 Ų18855.5 Ų55.593%0.92625%0.253SS*.  0130.20-161.6172.1-173.600106.6V3M1-V3 PolarHBondContact O-N 3.29Å
2Y55.2Low87.3Confident174 Ų17453.3 Ų53.368%0.68225%0.245SC*.  trans-83.2105.2-171.5-72.6-91.1000110.5K4 L222 L226Y2-K4 PolarHBondContact O-N 3.25Å; Y2-L222 HydrophobicContact CE1-CD1 4.32Å; Y2-L226 HydrophobicContact CD1-CD1 3.21Å; Y2-L226 HydrophobicContact CD1-CD2 4.09Å; Y2-L226 HydrophobicContact CD1-CG 4.27Å; Y2-L226 HydrophobicContact CE1-CD1 3.6Å; Y2-L226 HydrophobicContact CE1-CD2 3.93Å; Y2-L226 HydrophobicContact CE1-CG 4.45Å; Y2-L226 HydrophobicContact CG-CD1 4Å
3V75.6Confident87.6Confident35 Ų3552.4 Ų52.421%0.21224%0.243CC..  trans-72.7119.9163.9-173.10000106.8M1 T192 L221M1-V3 PolarHBondContact O-N 3.29Å; V3-T192 HydrophobicContact CG1-CG2 3.04Å; V3-L221 HydrophobicContact CG1-CD1 4.28Å; V3-L221 HydrophobicContact CG1-CD2 4.36Å
4K89.9Confident88Confident139 Ų13949.5 Ų49.560%0.60423%0.232SC*.  trans-110.5147.2179.7-70.8-176.4177.6-178.80109.6Y2 N218Y2-K4 PolarHBondContact O-N 3.25Å; K4-N218 WeakPolarHBondContact CA-OD1 3.4Å
5C96.6Very high88.4Confident3 Ų351.7 Ų51.72%0.0225%0.246CC..  trans-76.4119.8168.7-177.90000108.7T192 N218 L221C5-T192 CarbonylContact C-O 3.14Å; C5-T192 WeakPolarHBondContact CA-O 3.34Å; C5-N218 PolarHBondContact N-OD1 3.14Å; C5-L221 HydrophobicContact CB-CD1 3.97Å
6Q98.3Very high88.6Confident68 Ų6853.2 Ų53.232%0.31826%0.255SS..EExtended strand (participates in β ladder)trans-105.4136.2170.8-60.6-178.3-97.700108.5D32 F33 T192 M193 I194Q6-D32 HydrophobicContact CB-CB 4.07Å; Q6-F33 HydrophobicContact CB-CD1 4.34Å; Q6-F33 HydrophobicContact CB-CE1 3.98Å; Q6-T192 PolarHBondContact N-O 2.64Å; Q6-M193 HydrophobicContact CB-CG 4.36Å; Q6-I194 PolarHBondContact O-N 2.87Å
7V98.7Very high89Confident0 Ų056 Ų560%028%0.282CS..EExtended strand (participates in β ladder)trans-119.5119.1-178.6-174.80000109.5D32 I200 M210 M213 R214V7-D32 PolarHBondContact N-OD2 3.29Å; V7-D32 PolarHBondContact O-N 2.87Å; V7-I200 HydrophobicContact CG1-CD1 3.58Å; V7-M210 HydrophobicContact CG1-CB 4.3Å; V7-M210 HydrophobicContact CG1-CG 3.88Å; V7-M213 HydrophobicContact CG1-CE 4.42Å; V7-M213 HydrophobicContact CG2-CB 4.12Å; V7-R214 HydrophobicContact CG2-CB 4.05Å
8G98.5Very high89.3Confident0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-119.2120.317800000111.5F33 I194 V195 S196G8-F33 WeakPolarHBondContact CA-O 3.46Å; G8-I194 PolarHBondContact N-O 3.41Å; G8-V195 VanDerWaalsContact O-CA 3.3Å; G8-V195 WeakPolarHBondContact O-CA 3.38Å; G8-S196 PolarHBondContact O-N 2.83Å; G8-S196 VanDerWaalsContact O-N 3.08Å
9P98.3Very high89.7Confident0 Ų053.3 Ų53.30%027%0.271CS..  trans-69.8132.7171.125.5-31000111.2I11 L26 A31 F33 L34 H35 S196 I200 V201 M210P9-I11 PolarHBondContact O-N 3.41Å; P9-L26 HydrophobicContact CB-CD1 3.92Å; P9-L26 HydrophobicContact CB-CD2 3.99Å; P9-L26 HydrophobicContact CB-CG 4.44Å; P9-L26 HydrophobicContact CG-CB 3.92Å; P9-L26 HydrophobicContact CG-CD1 3.78Å; P9-L26 HydrophobicContact CG-CD2 3.94Å; P9-L26 HydrophobicContact CG-CG 4.08Å; P9-A31 HydrophobicContact CG-CB 3.9Å; P9-F33 WeakPolarHBondContact CD-O 3.49Å; P9-L34 HydrophobicContact CG-CD2 4.21Å; P9-H35 PolarHBondContact O-N 2.88Å; P9-H35 VanDerWaalsContact O-N 3.11Å; P9-S196 VanDerWaalsContact CA-O 3.31Å; P9-S196 WeakPolarHBondContact CA-O 3.46Å; P9-I200 HydrophobicContact CB-CB 4.33Å; P9-I200 HydrophobicContact CB-CD1 4.32Å; P9-I200 HydrophobicContact CB-CG2 3.99Å; P9-V201 HydrophobicContact CB-CG2 4.3Å; P9-M210 HydrophobicContact CG-SD 4.47Å
10S97.9Very high90.1Very high3 Ų352.7 Ų52.72%0.02127%0.272CS..BIsolated β-bridgetrans-72.2116.5164.5161.30000108.9L12 D37 S196S10-L12 PolarHBondContact O-N 2.88Å; S10-L12 WeakPolarHBondContact OG-CB 3.43Å; S10-L12 PolarHBondContact OG-N 3.33Å; S10-D37 PolarHBondContact OG-OD2 2.87Å; S10-S196 PolarHBondContact N-O 3.28Å
11I96.6Very high90.4Very high0 Ų054.2 Ų54.20%028%0.281CS..G310 helixtrans-78.8-7.3-175.974.5175.9000112.5P9 N13 S14 L19 L26 L34 H35 L36 F49 L57P9-I11 PolarHBondContact O-N 3.41Å; I11-N13 PolarHBondContact O-N 3.46Å; I11-S14 WeakPolarHBondContact O-CB 3.28Å; I11-S14 PolarHBondContact O-N 3.34Å; I11-S14 PolarHBondContact O-OG 3Å; I11-L19 HydrophobicContact CB-CD1 3.99Å; I11-L19 HydrophobicContact CD1-CD1 4Å; I11-L19 HydrophobicContact CD1-CD2 3.92Å; I11-L19 HydrophobicContact CD1-CG 4.19Å; I11-L19 HydrophobicContact CG1-CD1 4.12Å; I11-L26 HydrophobicContact CG2-CD1 4.4Å; I11-L34 HydrophobicContact CG2-CB 4.3Å; I11-L34 HydrophobicContact CG2-CD2 4.11Å; I11-H35 PolarHBondContact N-O 3.46Å; I11-L36 HydrophobicContact CD1-CD1 4.23Å; I11-L36 HydrophobicContact CD1-CD2 4.19Å; I11-L36 HydrophobicContact CD1-CG 3.66Å; I11-L36 HydrophobicContact CG1-CG 4.23Å; I11-F49 HydrophobicContact CG1-CZ 4.44Å; I11-L57 HydrophobicContact CD1-CD1 3.54Å
12L92.7Very high92.7Very high30 Ų3046.5 Ų46.516%0.15724%0.243CC..G310 helixtrans-55.6-32174.2-177.768.5000112.3S10 S14 D37 M39S10-L12 PolarHBondContact O-N 2.88Å; S10-L12 WeakPolarHBondContact OG-CB 3.43Å; S10-L12 PolarHBondContact OG-N 3.33Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 3.02Å; L12-D37 HydrophobicContact CB-CB 4.09Å; L12-D37 HydrophobicContact CD1-CB 4.4Å; L12-D37 HydrophobicContact CD2-CB 4.02Å; L12-D37 HydrophobicContact CG-CB 4.39Å; L12-M39 HydrophobicContact CD2-CE 3.46Å; L12-M39 VanDerWaalsContact CD2-CE 3.46Å
13N90.3Very high94.8Very high41 Ų4138.2 Ų38.222%0.21921%0.211CC..G310 helixtrans-83.60.9178.7-72.3126.6000114.4I11 G197 T198 V201I11-N13 PolarHBondContact O-N 3.46Å; N13-G197 WeakPolarHBondContact OD1-CA 3.22Å; N13-T198 PolarHBondContact OD1-N 3.47Å; N13-V201 HydrophobicContact CB-CB 4.31Å; N13-V201 HydrophobicContact CB-CG1 4.42Å; N13-V201 HydrophobicContact CB-CG2 4.44Å; N13-V201 WeakPolarHBondContact O-CG1 3.36Å
14S94.2Very high95.8Very high12 Ų1242 Ų428%0.08422%0.221CC..SBendtrans-80167.4176.7-50.50000111.1I11 L12 L16 D22I11-S14 WeakPolarHBondContact O-CB 3.28Å; I11-S14 PolarHBondContact O-N 3.34Å; I11-S14 PolarHBondContact O-OG 3Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 3.02Å; S14-L16 PolarHBondContact O-N 3.37Å; S14-L16 VanDerWaalsContact O-N 3.08Å; S14-D22 WeakPolarHBondContact CB-OD2 2.9Å
15D93.4Very high96.2Very high83 Ų8341.3 Ų41.344%0.44422%0.218SC..  trans-71.6103.9167.2178.8-1.6000109.2S17 T18 L19 D22D15-S17 PolarHBondContact O-N 3.31Å; D15-S17 VanDerWaalsContact O-N 3.09Å; D15-S17 VanDerWaalsContact OD1-CB 3.31Å; D15-S17 WeakPolarHBondContact OD1-CB 3.3Å; D15-S17 PolarHBondContact OD1-N 3.34Å; D15-S17 PolarHBondContact OD1-OG 2.88Å; D15-S17 PolarHBondContact OD2-OG 3.37Å; D15-S17 VanDerWaalsContact OD2-OG 3.12Å; D15-T18 CarbonylContact O-C 3.54Å; D15-T18 PolarHBondContact O-N 3.29Å; D15-T18 PolarHBondContact OD2-OG1 3.47Å; D15-L19 WeakPolarHBondContact O-CA 3.37Å; D15-L19 PolarHBondContact O-N 2.73Å; D15-D22 PolarHBondContact N-OD2 3.49Å
16L92.3Very high96.3Very high75 Ų7541.4 Ų41.439%0.39322%0.219SC..G310 helixtrans-60.8-21.9-177.9-60.7-175.4000113S14 T18 L19 F49S14-L16 PolarHBondContact O-N 3.37Å; S14-L16 VanDerWaalsContact O-N 3.08Å; L16-T18 VanDerWaalsContact C-N 3.27Å; L16-T18 PolarHBondContact O-N 3.34Å; L16-L19 HydrophobicContact CD2-CD1 4.07Å; L16-L19 HydrophobicContact CD2-CD2 4.2Å; L16-F49 HydrophobicContact CD2-CD1 4.31Å; L16-F49 HydrophobicContact CD2-CE1 4.05Å
17S95.1Very high96.3Very high101 Ų10139.8 Ų39.871%0.70621%0.212SC*.G310 helixtrans-72.2-23.2176.277.70000112.9D15D15-S17 PolarHBondContact O-N 3.31Å; D15-S17 VanDerWaalsContact O-N 3.09Å; D15-S17 VanDerWaalsContact OD1-CB 3.31Å; D15-S17 WeakPolarHBondContact OD1-CB 3.3Å; D15-S17 PolarHBondContact OD1-N 3.34Å; D15-S17 PolarHBondContact OD1-OG 2.88Å; D15-S17 PolarHBondContact OD2-OG 3.37Å; D15-S17 VanDerWaalsContact OD2-OG 3.12Å
18T95.1Very high96.3Very high53 Ų5345.7 Ų45.733%0.32524%0.243SC..G310 helixtrans-126.726.2-179.8570000112.2D15 L16 S20 D21 D22D15-T18 CarbonylContact O-C 3.54Å; D15-T18 PolarHBondContact O-N 3.29Å; D15-T18 PolarHBondContact OD2-OG1 3.47Å; L16-T18 VanDerWaalsContact C-N 3.27Å; L16-T18 PolarHBondContact O-N 3.34Å; T18-S20 PolarHBondContact O-N 3.06Å; T18-D21 WeakPolarHBondContact O-CB 3.29Å; T18-D21 PolarHBondContact O-N 3.29Å; T18-D22 PolarHBondContact O-N 2.94Å
19L96.7Very high96.3Very high7 Ų746.2 Ų46.24%0.03725%0.248CC..Hα-helixtrans-50.6-37.7-169.4-17159.2000114.5I11 D15 L16 D21 D22 C23 M53 L57I11-L19 HydrophobicContact CB-CD1 3.99Å; I11-L19 HydrophobicContact CD1-CD1 4Å; I11-L19 HydrophobicContact CD1-CD2 3.92Å; I11-L19 HydrophobicContact CD1-CG 4.19Å; I11-L19 HydrophobicContact CG1-CD1 4.12Å; D15-L19 WeakPolarHBondContact O-CA 3.37Å; D15-L19 PolarHBondContact O-N 2.73Å; L16-L19 HydrophobicContact CD2-CD1 4.07Å; L16-L19 HydrophobicContact CD2-CD2 4.2Å; L19-D21 VanDerWaalsContact C-N 3.28Å; L19-D21 PolarHBondContact O-N 3.36Å; L19-D22 PolarHBondContact O-N 2.89Å; L19-C23 WeakPolarHBondContact O-CB 3.46Å; L19-C23 PolarHBondContact O-N 3.34Å; L19-C23 PolarHBondContact O-SG 2.94Å; L19-M53 HydrophobicContact CD2-CE 4.12Å; L19-M53 HydrophobicContact CD2-CG 4.04Å; L19-M53 HydrophobicContact CD2-SD 3.72Å; L19-L57 HydrophobicContact CD2-CD1 4.09Å; L19-L57 HydrophobicContact CG-CD2 4.44Å
20S97Very high96.3Very high42 Ų4247.8 Ų47.829%0.29426%0.264SS..Hα-helixtrans-63.1-34.317860.30000113T18 R24 F61T18-S20 PolarHBondContact O-N 3.06Å; S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 2.93Å; S20-F61 VanDerWaalsContact O-CZ 3.28Å; S20-F61 WeakPolarHBondContact O-CZ 3.47Å
21D97.5Very high96.3Very high84 Ų8448.6 Ų48.645%0.44927%0.27SS..Hα-helixtrans-73.3-39.7-179.3-64.9-16.9000110.2T18 L19 R24 K25T18-D21 WeakPolarHBondContact O-CB 3.29Å; T18-D21 PolarHBondContact O-N 3.29Å; L19-D21 VanDerWaalsContact C-N 3.28Å; L19-D21 PolarHBondContact O-N 3.36Å; D21-R24 PolarHBondContact O-N 3.17Å; D21-K25 WeakPolarHBondContact O-CG 3.31Å; D21-K25 PolarHBondContact O-N 3.32Å
22D96.8Very high96.4Very high27 Ų2751.7 Ų51.714%0.14429%0.287CS..Hα-helixtrans-66.1-44.2174.4-75.6-4.2000111.8S14 D15 T18 L19 R24 K25 L26S14-D22 WeakPolarHBondContact CB-OD2 2.9Å; D15-D22 PolarHBondContact N-OD2 3.49Å; T18-D22 PolarHBondContact O-N 2.94Å; L19-D22 PolarHBondContact O-N 2.89Å; D22-R24 VanDerWaalsContact C-N 3.29Å; D22-R24 PolarHBondContact O-N 2.99Å; D22-K25 PolarHBondContact O-N 3.29Å; D22-K25 IonicContact OD1-NZ 3.37Å; D22-K25 PolarHBondContact OD1-NZ 2.82Å; D22-L26 VanDerWaalsContact O-CG 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.28Å; D22-L26 PolarHBondContact O-N 3.14Å
23C98.4Very high96.7Very high0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-55.9-43.3171.7-70.50000112L19 L26 I27 L34 F61L19-C23 WeakPolarHBondContact O-CB 3.46Å; L19-C23 PolarHBondContact O-N 3.34Å; L19-C23 PolarHBondContact O-SG 2.94Å; C23-L26 PolarHBondContact O-N 2.98Å; C23-I27 WeakPolarHBondContact O-CB 3.33Å; C23-I27 WeakPolarHBondContact O-CD1 3.25Å; C23-I27 VanDerWaalsContact O-CG1 3.22Å; C23-I27 WeakPolarHBondContact O-CG1 3.46Å; C23-I27 PolarHBondContact O-N 2.83Å; C23-L34 HydrophobicContact CB-CD1 3.88Å; C23-F61 HydrophobicContact CB-CD2 4.28Å; C23-F61 HydrophobicContact CB-CE2 3.5Å; C23-F61 HydrophobicContact CB-CZ 3.81Å
24R98.2Very high97.1Very high113 Ų11348.6 Ų48.643%0.42627%0.27SS..Hα-helixtrans-63.1-43.4177.7-173.8178.8-54.3-69.6-9.6111.9S20 D21 D22 L26 I27 N28 F61S20-R24 WeakPolarHBondContact O-CB 3.45Å; S20-R24 PolarHBondContact O-N 2.93Å; D21-R24 PolarHBondContact O-N 3.17Å; D22-R24 VanDerWaalsContact C-N 3.29Å; D22-R24 PolarHBondContact O-N 2.99Å; R24-L26 VanDerWaalsContact C-N 3.34Å; R24-I27 PolarHBondContact O-N 2.85Å; R24-N28 WeakPolarHBondContact O-CB 3.32Å; R24-N28 PolarHBondContact O-N 2.8Å; R24-F61 HydrophobicContact CB-CE1 4.06Å; R24-F61 HydrophobicContact CB-CZ 4.11Å
25K97.7Very high97.3Very high125 Ų12548 Ų4854%0.54327%0.266SS..Hα-helixtrans-59.9-46.1176-68.5168.3-161.21570110.8D21 D22 N28 A29D21-K25 WeakPolarHBondContact O-CG 3.31Å; D21-K25 PolarHBondContact O-N 3.32Å; D22-K25 PolarHBondContact O-N 3.29Å; D22-K25 IonicContact OD1-NZ 3.37Å; D22-K25 PolarHBondContact OD1-NZ 2.82Å; K25-N28 PolarHBondContact O-N 3.45Å; K25-A29 WeakPolarHBondContact O-CB 3.46Å; K25-A29 PolarHBondContact O-N 3.25Å
26L98.4Very high97.5Very high6 Ų644 Ų443%0.03125%0.245CC..Hα-helixtrans-65.3-42.9-179.7-68167.8000112.4P9 I11 D22 C23 R24 A29 G30 A31 L34 I200 V201 P206P9-L26 HydrophobicContact CB-CD1 3.92Å; P9-L26 HydrophobicContact CB-CD2 3.99Å; P9-L26 HydrophobicContact CB-CG 4.44Å; P9-L26 HydrophobicContact CG-CB 3.92Å; P9-L26 HydrophobicContact CG-CD1 3.78Å; P9-L26 HydrophobicContact CG-CD2 3.94Å; P9-L26 HydrophobicContact CG-CG 4.08Å; I11-L26 HydrophobicContact CG2-CD1 4.4Å; D22-L26 VanDerWaalsContact O-CG 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.28Å; D22-L26 PolarHBondContact O-N 3.14Å; C23-L26 PolarHBondContact O-N 2.98Å; R24-L26 VanDerWaalsContact C-N 3.34Å; L26-A29 CarbonylContact O-C 3.57Å; L26-A29 PolarHBondContact O-N 3.4Å; L26-G30 PolarHBondContact O-N 3.4Å; L26-A31 VanDerWaalsContact O-CB 3.31Å; L26-A31 WeakPolarHBondContact O-CB 3.22Å; L26-A31 PolarHBondContact O-N 3.49Å; L26-L34 HydrophobicContact CB-CD2 4.37Å; L26-I200 HydrophobicContact CD2-CG2 3.75Å; L26-V201 HydrophobicContact CD1-CG2 4.3Å; L26-P206 HydrophobicContact CD2-CB 4.24Å
27I98.5Very high97.8Very high34 Ų3440.7 Ų40.717%0.17423%0.228CC..Hα-helixtrans-60.5-49173.6-69.9162.7000110.4C23 R24 A29 G30 L34 F61 I65C23-I27 WeakPolarHBondContact O-CB 3.33Å; C23-I27 WeakPolarHBondContact O-CD1 3.25Å; C23-I27 VanDerWaalsContact O-CG1 3.22Å; C23-I27 WeakPolarHBondContact O-CG1 3.46Å; C23-I27 PolarHBondContact O-N 2.83Å; R24-I27 PolarHBondContact O-N 2.85Å; I27-A29 PolarHBondContact O-N 2.96Å; I27-G30 PolarHBondContact O-N 3.41Å; I27-L34 HydrophobicContact CD1-CD1 4Å; I27-L34 HydrophobicContact CG1-CD1 4.28Å; I27-L34 HydrophobicContact CG1-CD2 4.28Å; I27-L34 HydrophobicContact CG1-CG 4.41Å; I27-F61 HydrophobicContact CD1-CB 4.33Å; I27-F61 HydrophobicContact CD1-CD1 3.5Å; I27-F61 VanDerWaalsContact CD1-CD1 3.5Å; I27-F61 HydrophobicContact CD1-CD2 4.4Å; I27-F61 HydrophobicContact CD1-CE1 3.85Å; I27-F61 HydrophobicContact CD1-CG 3.81Å; I27-F61 HydrophobicContact CD1-CZ 4.44Å; I27-I65 HydrophobicContact CD1-CD1 4.1Å; I27-I65 HydrophobicContact CD1-CG1 4.13Å; I27-I65 HydrophobicContact CD1-CG2 3.97Å; I27-I65 HydrophobicContact CG1-CD1 4.17Å; I27-I65 HydrophobicContact CG1-CG2 4.39Å; I27-I65 HydrophobicContact CG2-CD1 3.65Å
28N98.4Very high98Very high124 Ų12436.1 Ų36.166%0.66320%0.195SC*.Hα-helixtrans-64.6-27.9179.3-71.3-7.6000112.4R24 K25 G30R24-N28 WeakPolarHBondContact O-CB 3.32Å; R24-N28 PolarHBondContact O-N 2.8Å; K25-N28 PolarHBondContact O-N 3.45Å; N28-G30 PolarHBondContact O-N 3.03Å
29A98.2Very high98.2Very high11 Ų1134 Ų349%0.09118%0.182CC..THydrogen-bonded Turntrans-77.70.4173.100000113.4K25 L26 I27 P206 E207 M210K25-A29 WeakPolarHBondContact O-CB 3.46Å; K25-A29 PolarHBondContact O-N 3.25Å; L26-A29 CarbonylContact O-C 3.57Å; L26-A29 PolarHBondContact O-N 3.4Å; I27-A29 PolarHBondContact O-N 2.96Å; A29-P206 HydrophobicContact CB-CB 4.29Å; A29-E207 HydrophobicContact CB-CB 3.8Å; A29-E207 WeakPolarHBondContact O-CA 3.45Å; A29-M210 HydrophobicContact CB-CE 3.47Å; A29-M210 VanDerWaalsContact CB-CE 3.47Å; A29-M210 VanDerWaalsContact O-CE 3.28Å; A29-M210 WeakPolarHBondContact O-CE 3.23Å
30G98Very high98.2Very high33 Ų3335.2 Ų35.234%0.3419%0.188SC..THydrogen-bonded Turntrans90.730.6173.800000114.9L26 I27 N28 D32 R214L26-G30 PolarHBondContact O-N 3.4Å; I27-G30 PolarHBondContact O-N 3.41Å; N28-G30 PolarHBondContact O-N 3.03Å; G30-D32 PolarHBondContact O-N 3.01Å; G30-R214 PolarHBondContact O-NH2 3.29Å
31A98.6Very high98.3Very high19 Ų1934.7 Ų34.716%0.15719%0.189CC..  trans-59.6131168.300000111.2P9 L26 L34 M210P9-A31 HydrophobicContact CG-CB 3.9Å; L26-A31 VanDerWaalsContact O-CB 3.31Å; L26-A31 WeakPolarHBondContact O-CB 3.22Å; L26-A31 PolarHBondContact O-N 3.49Å; A31-L34 HydrophobicContact CB-CD2 4.49Å; A31-M210 HydrophobicContact CB-CE 4.4Å; A31-M210 HydrophobicContact CB-SD 3.95Å
32D98.4Very high98.3Very high66 Ų6638.1 Ų38.135%0.35320%0.203SC..SBendtrans-76.5-30.8179.2-65.9-73.5000111.6Q6 V7 G30 R214Q6-D32 HydrophobicContact CB-CB 4.07Å; V7-D32 PolarHBondContact N-OD2 3.29Å; V7-D32 PolarHBondContact O-N 2.87Å; G30-D32 PolarHBondContact O-N 3.01Å; D32-R214 IonicContact OD1-NE 3.85Å; D32-R214 IonicContact OD2-CZ 3.79Å; D32-R214 IonicContact OD2-NE 3.99Å; D32-R214 PolarHBondContact OD2-NE 2.86Å; D32-R214 IonicContact OD2-NH2 2.98Å; D32-R214 PolarHBondContact OD2-NH2 2.69Å
33F98.7Very high98.4Very high4 Ų438.2 Ų38.22%0.01820%0.202CC..  trans-151.4163.717458-84000109.8Q6 G8 P9 H35 Y66 D68 E173 M193 V195Q6-F33 HydrophobicContact CB-CD1 4.34Å; Q6-F33 HydrophobicContact CB-CE1 3.98Å; G8-F33 WeakPolarHBondContact CA-O 3.46Å; P9-F33 WeakPolarHBondContact CD-O 3.49Å; F33-H35 HydrophobicContact CD2-CB 4.32Å; F33-H35 HydrophobicContact CE2-CB 4.11Å; F33-Y66 WeakPolarHBondContact CA-O 3.48Å; F33-Y66 HydrophobicContact CB-CD1 3.77Å; F33-Y66 HydrophobicContact CB-CG 4.22Å; F33-D68 HydrophobicContact CD2-CB 3.82Å; F33-D68 HydrophobicContact CE2-CB 4.3Å; F33-E173 WeakPolarHBondContact CE2-OE1 3.16Å; F33-M193 HydrophobicContact CD1-CE 4.27Å; F33-M193 HydrophobicContact CD2-CE 4.44Å; F33-M193 HydrophobicContact CE1-CB 4.35Å; F33-M193 HydrophobicContact CE1-CE 3.92Å; F33-M193 HydrophobicContact CE1-CG 4.4Å; F33-M193 HydrophobicContact CE2-CE 4.05Å; F33-M193 HydrophobicContact CZ-CB 4.22Å; F33-M193 HydrophobicContact CZ-CE 3.79Å; F33-V195 HydrophobicContact CE2-CG2 4.16Å; F33-V195 HydrophobicContact CZ-CG2 4.32Å
34L98.8Very high98.4Very high1 Ų138.3 Ų38.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-103.2128.8166.1-62.8178.7000108.3P9 I11 C23 L26 I27 A31 L36 I65 Y66 L67 D68P9-L34 HydrophobicContact CG-CD2 4.21Å; I11-L34 HydrophobicContact CG2-CB 4.3Å; I11-L34 HydrophobicContact CG2-CD2 4.11Å; C23-L34 HydrophobicContact CB-CD1 3.88Å; L26-L34 HydrophobicContact CB-CD2 4.37Å; I27-L34 HydrophobicContact CD1-CD1 4Å; I27-L34 HydrophobicContact CG1-CD1 4.28Å; I27-L34 HydrophobicContact CG1-CD2 4.28Å; I27-L34 HydrophobicContact CG1-CG 4.41Å; A31-L34 HydrophobicContact CB-CD2 4.49Å; L34-L36 HydrophobicContact CB-CD1 4Å; L34-L36 VanDerWaalsContact O-CD1 3.22Å; L34-L36 WeakPolarHBondContact O-CD1 3.34Å; L34-I65 HydrophobicContact CD1-CG2 4.28Å; L34-I65 HydrophobicContact CG-CG2 4.44Å; L34-Y66 PolarHBondContact N-O 2.87Å; L34-L67 HydrophobicContact CB-CD2 4.09Å; L34-L67 HydrophobicContact CD1-CD2 4.12Å; L34-D68 PolarHBondContact O-N 2.98Å
35H98.8Very high98.3Very high0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-97.8124.9177.4-17794.5000110.3P9 I11 F33 D37 D68 H70 E173 D175 V195P9-H35 PolarHBondContact O-N 2.88Å; P9-H35 VanDerWaalsContact O-N 3.11Å; I11-H35 PolarHBondContact N-O 3.46Å; F33-H35 HydrophobicContact CD2-CB 4.32Å; F33-H35 HydrophobicContact CE2-CB 4.11Å; H35-D37 IonicContact CD2-OD1 3.97Å; H35-D37 IonicContact CD2-OD2 3.48Å; H35-D37 PolarHBondContact CD2-OD2 3.35Å; H35-D37 IonicContact NE2-OD1 2.63Å; H35-D37 PolarHBondContact NE2-OD1 3.41Å; H35-D37 VanDerWaalsContact NE2-OD1 3.15Å; H35-D37 IonicContact NE2-OD2 3.18Å; H35-D68 CarbonylContact C-O 3.55Å; H35-D68 WeakPolarHBondContact CA-O 3.33Å; H35-D68 IonicContact CE1-OD2 3.86Å; H35-D68 PolarHBondContact CE1-OD2 3.32Å; H35-D68 IonicContact CG-OD2 3.83Å; H35-D68 IonicContact ND1-OD2 2.96Å; H35-D68 PolarHBondContact ND1-OD2 3.35Å; H35-H70 WeakPolarHBondContact CE1-CB 3.28Å; H35-H70 AromaticContact CE1-CG 3.87Å; H35-H70 AromaticContact CE1-ND1 3.79Å; H35-H70 WeakPolarHBondContact NE2-CB 3.24Å; H35-H70 AromaticContact NE2-CG 3.75Å; H35-H70 AromaticContact NE2-ND1 3.36Å; H35-H70 PolarHBondContact NE2-ND1 2.89Å; H35-E173 IonicContact ND1-OE1 3.87Å; H35-D175 IonicContact NE2-OD2 3.54Å; H35-V195 HydrophobicContact CB-CG1 3.95Å; H35-V195 HydrophobicContact CB-CG2 4.29Å; H35-V195 WeakPolarHBondContact ND1-CG2 3.03Å
36L98.7Very high98.3Very high0 Ų034.1 Ų34.10%020%0.2CC..EExtended strand (participates in β ladder)trans-118.2104-171.7-72.881.3000110.4I11 L34 I38 F49 V54 L57 L67 D68 V69 H70I11-L36 HydrophobicContact CD1-CD1 4.23Å; I11-L36 HydrophobicContact CD1-CD2 4.19Å; I11-L36 HydrophobicContact CD1-CG 3.66Å; I11-L36 HydrophobicContact CG1-CG 4.23Å; L34-L36 HydrophobicContact CB-CD1 4Å; L34-L36 VanDerWaalsContact O-CD1 3.22Å; L34-L36 WeakPolarHBondContact O-CD1 3.34Å; L36-I38 PolarHBondContact O-N 2.99Å; L36-F49 HydrophobicContact CB-CE2 4.29Å; L36-F49 HydrophobicContact CB-CZ 4.47Å; L36-F49 HydrophobicContact CD2-CE2 4.45Å; L36-V54 HydrophobicContact CD2-CB 4.49Å; L36-V54 HydrophobicContact CD2-CG2 3.93Å; L36-L57 HydrophobicContact CD2-CD1 3.72Å; L36-L57 HydrophobicContact CG-CD1 4.49Å; L36-L67 HydrophobicContact CD1-CB 4.36Å; L36-L67 HydrophobicContact CD1-CD2 4.15Å; L36-D68 PolarHBondContact N-O 2.81Å; L36-V69 HydrophobicContact CB-CG2 4.3Å; L36-H70 PolarHBondContact O-N 3.17Å
37D98.6Very high98.3Very high4 Ų439.8 Ų39.82%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-81.3108.2175.9-66.4-68.7000112S10 L12 H35 M39 S48 H70 M72S10-D37 PolarHBondContact OG-OD2 2.87Å; L12-D37 HydrophobicContact CB-CB 4.09Å; L12-D37 HydrophobicContact CD1-CB 4.4Å; L12-D37 HydrophobicContact CD2-CB 4.02Å; L12-D37 HydrophobicContact CG-CB 4.39Å; H35-D37 IonicContact CD2-OD1 3.97Å; H35-D37 IonicContact CD2-OD2 3.48Å; H35-D37 PolarHBondContact CD2-OD2 3.35Å; H35-D37 IonicContact NE2-OD1 2.63Å; H35-D37 PolarHBondContact NE2-OD1 3.41Å; H35-D37 VanDerWaalsContact NE2-OD1 3.15Å; H35-D37 IonicContact NE2-OD2 3.18Å; D37-M39 HydrophobicContact CB-CE 4.12Å; D37-S48 WeakPolarHBondContact O-CB 3.36Å; D37-S48 PolarHBondContact O-OG 3.24Å; D37-H70 IonicContact OD1-CE1 2.64Å; D37-H70 IonicContact OD1-CG 3.96Å; D37-H70 IonicContact OD1-ND1 3.53Å; D37-H70 PolarHBondContact OD1-ND1 3.41Å; D37-M72 HydrophobicContact CB-CE 3.49Å; D37-M72 VanDerWaalsContact CB-CE 3.49Å; D37-M72 WeakPolarHBondContact OD1-CE 3.43Å
38I98.7Very high98.2Very high6 Ų639.4 Ų39.43%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-100.5122.4173.4-68.4-175.7000109.4L36 S48 F49 V54 V69 H70 M71 M72 V73L36-I38 PolarHBondContact O-N 2.99Å; I38-S48 WeakPolarHBondContact CA-OG 3.44Å; I38-F49 HydrophobicContact CG1-CD2 3.93Å; I38-F49 HydrophobicContact CG1-CE2 3.85Å; I38-F49 WeakPolarHBondContact CG2-O 3.22Å; I38-V54 HydrophobicContact CD1-CG2 3.87Å; I38-V69 HydrophobicContact CD1-CG1 3.72Å; I38-V69 HydrophobicContact CG1-CG1 4.22Å; I38-H70 PolarHBondContact N-O 3.29Å; I38-M71 HydrophobicContact CB-CE 4.23Å; I38-M71 HydrophobicContact CB-SD 3.66Å; I38-M71 HydrophobicContact CD1-SD 3.74Å; I38-M71 HydrophobicContact CG1-SD 4.14Å; I38-M71 HydrophobicContact CG2-CE 3.71Å; I38-M71 HydrophobicContact CG2-SD 3.84Å; I38-M72 CarbonylContact O-C 3.34Å; I38-M72 WeakPolarHBondContact O-CA 3.27Å; I38-M72 WeakPolarHBondContact O-CB 3.38Å; I38-M72 PolarHBondContact O-N 2.96Å; I38-V73 HydrophobicContact CG2-CG1 3.87Å
39M98.6Very high98.1Very high7 Ų734.7 Ų34.73%0.03420%0.203CC..EExtended strand (participates in β ladder)trans-128.5138.8-176.2-55.9175179.500110.6L12 D37 V44 N46 S48 M72 G146L12-M39 HydrophobicContact CD2-CE 3.46Å; L12-M39 VanDerWaalsContact CD2-CE 3.46Å; D37-M39 HydrophobicContact CB-CE 4.12Å; M39-V44 HydrophobicContact CB-CG2 3.62Å; M39-V44 HydrophobicContact CG-CG2 3.69Å; M39-V44 HydrophobicContact SD-CG2 4.06Å; M39-N46 VanDerWaalsContact CB-O 3.23Å; M39-N46 WeakPolarHBondContact CB-O 3.33Å; M39-N46 HydrophobicContact SD-CB 3.7Å; M39-N46 PolarHBondContact SD-ND2 3.27Å; M39-S48 PolarHBondContact N-OG 2.94Å; M39-S48 PolarHBondContact O-N 2.94Å; M39-M72 HydrophobicContact CE-CE 3.29Å; M39-M72 HydrophobicContact CE-SD 3.77Å; M39-M72 HydrophobicContact CG-CB 4.09Å; M39-M72 HydrophobicContact CG-CE 3.75Å; M39-M72 HydrophobicContact CG-SD 4.22Å; M39-M72 HydrophobicContact SD-CE 4.36Å; M39-G146 WeakPolarHBondContact CE-O 3.3Å; M39-G146 VanDerWaalsContact SD-O 3.34Å
40D98.1Very high98.1Very high33 Ų3335.2 Ų35.218%0.17621%0.209CC..BIsolated β-bridgetrans-109-2.3-172.773.4-15000115.6H42 F43 V73 S74D40-H42 PolarHBondContact O-N 3.09Å; D40-H42 PolarHBondContact OD1-N 2.94Å; D40-H42 IonicContact OD2-ND1 3.62Å; D40-F43 PolarHBondContact OD1-N 3.39Å; D40-V73 HydrophobicContact CB-CB 4.04Å; D40-V73 HydrophobicContact CB-CG1 3.87Å; D40-S74 WeakPolarHBondContact OD2-CB 3.26Å; D40-S74 PolarHBondContact OD2-N 3.13Å
41G98.1Very high98.1Very high31 Ų3134.8 Ų34.832%0.3220%0.201SC..SBendtrans78.1-5.8-175.600000115.1V44 N46G41-V44 CarbonylContact C-O 3.1Å; G41-V44 WeakPolarHBondContact CA-O 3.41Å; G41-V44 PolarHBondContact N-O 3.09Å; G41-N46 WeakPolarHBondContact CA-O 3.47Å; G41-N46 PolarHBondContact N-O 3.29Å
42H98.3Very high98.1Very high157 Ų15738.4 Ų38.473%0.72723%0.225SC*.SBendtrans-104.6-51.6177.9-60121000111.9D40 S74D40-H42 PolarHBondContact O-N 3.09Å; D40-H42 PolarHBondContact OD1-N 2.94Å; D40-H42 IonicContact OD2-ND1 3.62Å; H42-S74 VanDerWaalsContact CB-OG 3.27Å; H42-S74 WeakPolarHBondContact CB-OG 3.39Å
43F98.6Very high98.1Very high29 Ų2937.6 Ų37.613%0.12722%0.219CC..SBendtrans-75-35179.6178.3-103.7000111.9D40 M72 V73 S74 H94 E96 A97 K120D40-F43 PolarHBondContact OD1-N 3.39Å; F43-M72 VanDerWaalsContact CD1-C 3.49Å; F43-M72 HydrophobicContact CD1-CB 3.98Å; F43-M72 HydrophobicContact CE1-CB 4.4Å; F43-V73 VanDerWaalsContact CB-C 3.45Å; F43-S74 PolarHBondContact N-OG 3.13Å; F43-H94 HydrophobicContact CE1-CB 3.78Å; F43-H94 AromaticContact CE1-CD2 3.63Å; F43-H94 AromaticContact CE1-CG 3.41Å; F43-H94 VanDerWaalsContact CE1-CG 3.41Å; F43-H94 AromaticContact CE1-ND1 3.76Å; F43-H94 HydrophobicContact CE2-CB 4.12Å; F43-H94 HydrophobicContact CZ-CB 3.33Å; F43-H94 AromaticContact CZ-CG 3.38Å; F43-H94 AromaticContact CZ-ND1 3.65Å; F43-E96 HydrophobicContact CE2-CB 4.02Å; F43-E96 HydrophobicContact CZ-CB 4.29Å; F43-A97 HydrophobicContact CD2-CB 3.79Å; F43-A97 HydrophobicContact CE2-CB 3.71Å; F43-A97 HydrophobicContact CG-CB 4.47Å; F43-A97 HydrophobicContact CZ-CB 4.32Å; F43-K120 HydrophobicContact CZ-CD 4.46Å
44V98.4Very high98.1Very high2 Ų237.4 Ų37.41%0.01222%0.219CC..SBendtrans-128.4149.3169-65.90000109.1M39 G41 N46 M72 P145M39-V44 HydrophobicContact CB-CG2 3.62Å; M39-V44 HydrophobicContact CG-CG2 3.69Å; M39-V44 HydrophobicContact SD-CG2 4.06Å; G41-V44 CarbonylContact C-O 3.1Å; G41-V44 WeakPolarHBondContact CA-O 3.41Å; G41-V44 PolarHBondContact N-O 3.09Å; V44-N46 PolarHBondContact O-N 2.68Å; V44-M72 HydrophobicContact CG1-CB 4.03Å; V44-M72 HydrophobicContact CG1-CG 4.37Å; V44-M72 HydrophobicContact CG1-SD 4.31Å; V44-M72 HydrophobicContact CG2-CB 3.87Å; V44-P145 HydrophobicContact CG1-CB 3.96Å; V44-P145 HydrophobicContact CG1-CG 4.17Å; V44-P145 WeakPolarHBondContact CG1-O 3.47Å
45P96.7Very high98.1Very high101 Ų10138.5 Ų38.566%0.65623%0.227SC*.SBendtrans-81.145.1-175.935.8-38.6000112.3F147P45-F147 HydrophobicContact CG-CE2 3.79Å; P45-F147 HydrophobicContact CG-CZ 4.15Å; P45-F147 WeakPolarHBondContact O-CZ 3.46Å
46N96.7Very high98.1Very high49 Ų4940 Ų4026%0.26224%0.24SC..  trans-148.6154.8178.9-166.714.2000110.3M39 G41 V44 G146 F147M39-N46 VanDerWaalsContact CB-O 3.23Å; M39-N46 WeakPolarHBondContact CB-O 3.33Å; M39-N46 HydrophobicContact SD-CB 3.7Å; M39-N46 PolarHBondContact SD-ND2 3.27Å; G41-N46 WeakPolarHBondContact CA-O 3.47Å; G41-N46 PolarHBondContact N-O 3.29Å; V44-N46 PolarHBondContact O-N 2.68Å; N46-G146 WeakPolarHBondContact CB-O 3.06Å; N46-G146 PolarHBondContact ND2-O 3.2Å; N46-F147 HydrophobicContact CB-CD1 4.43Å; N46-F147 HydrophobicContact CB-CE1 3.84Å; N46-F147 HydrophobicContact CB-CZ 4.05Å
47I97.9Very high98.1Very high125 Ų12540.2 Ų40.264%0.64124%0.241SC*.BIsolated β-bridgetrans-127.4127.2177.9-59172.3000107.7
48S96.7Very high98.1Very high25 Ų2541.2 Ų41.218%0.17525%0.245CC..  trans-108-93.4177.959.20000111.5D37 I38 M39D37-S48 WeakPolarHBondContact O-CB 3.36Å; D37-S48 PolarHBondContact O-OG 3.24Å; I38-S48 WeakPolarHBondContact CA-OG 3.44Å; M39-S48 PolarHBondContact N-OG 2.94Å; M39-S48 PolarHBondContact O-N 2.94Å
49F97.3Very high98.1Very high26 Ų2649.9 Ų49.911%0.11428%0.277CS..  trans-150173.8179.947.1-105.5000109.3I11 L16 L36 I38 M53I11-F49 HydrophobicContact CG1-CZ 4.44Å; L16-F49 HydrophobicContact CD2-CD1 4.31Å; L16-F49 HydrophobicContact CD2-CE1 4.05Å; L36-F49 HydrophobicContact CB-CE2 4.29Å; L36-F49 HydrophobicContact CB-CZ 4.47Å; L36-F49 HydrophobicContact CD2-CE2 4.45Å; I38-F49 HydrophobicContact CG1-CD2 3.93Å; I38-F49 HydrophobicContact CG1-CE2 3.85Å; I38-F49 WeakPolarHBondContact CG2-O 3.22Å; F49-M53 HydrophobicContact CB-CB 3.86Å; F49-M53 HydrophobicContact CB-CG 4.27Å; F49-M53 HydrophobicContact CD1-CG 4.27Å; F49-M53 HydrophobicContact CD2-CB 3.61Å; F49-M53 HydrophobicContact CD2-CG 3.77Å; F49-M53 HydrophobicContact CE2-CB 4.38Å; F49-M53 HydrophobicContact CE2-CG 4.16Å; F49-M53 HydrophobicContact CG-CB 3.81Å; F49-M53 HydrophobicContact CG-CG 3.83Å
50G97.7Very high98Very high22 Ų2255.9 Ų55.923%0.22730%0.303CS..  trans-118.3-168.1-178.500000114.3S52 M53G50-S52 PolarHBondContact O-N 3.42Å; G50-M53 WeakPolarHBondContact O-CB 3.37Å; G50-M53 PolarHBondContact O-N 3.04Å
51P98.5Very high98Very high24 Ų2454.8 Ų54.816%0.15630%0.297CS..Hα-helixtrans-56.2-24.2-179.7-25.833.8000114.5M53 V54 A55 A82 V83 A86P51-M53 VanDerWaalsContact C-N 3.27Å; P51-M53 PolarHBondContact O-N 3.36Å; P51-V54 WeakPolarHBondContact O-CB 3.28Å; P51-V54 PolarHBondContact O-N 2.74Å; P51-A55 PolarHBondContact O-N 3.15Å; P51-A82 HydrophobicContact CB-CB 4.09Å; P51-A82 HydrophobicContact CG-CB 3.89Å; P51-V83 HydrophobicContact CB-CG2 4.21Å; P51-V83 HydrophobicContact CG-CG2 3.82Å; P51-A86 HydrophobicContact CB-CB 4.32Å; P51-A86 VanDerWaalsContact O-CB 3.28Å; P51-A86 WeakPolarHBondContact O-CB 3.42Å
52S98.2Very high98Very high95 Ų9557.2 Ų57.266%0.66431%0.307SS*.Hα-helixtrans-62.2-33.5174.556.50000113G50 A56G50-S52 PolarHBondContact O-N 3.42Å; S52-A56 WeakPolarHBondContact O-CB 3.33Å; S52-A56 PolarHBondContact O-N 3.41Å
53M98Very high97.8Very high49 Ų4955.8 Ų55.824%0.24130%0.3CS..Hα-helixtrans-70-44.1174.5-176.158.577.500110.9L19 F49 G50 P51 A55 A56 L57L19-M53 HydrophobicContact CD2-CE 4.12Å; L19-M53 HydrophobicContact CD2-CG 4.04Å; L19-M53 HydrophobicContact CD2-SD 3.72Å; F49-M53 HydrophobicContact CB-CB 3.86Å; F49-M53 HydrophobicContact CB-CG 4.27Å; F49-M53 HydrophobicContact CD1-CG 4.27Å; F49-M53 HydrophobicContact CD2-CB 3.61Å; F49-M53 HydrophobicContact CD2-CG 3.77Å; F49-M53 HydrophobicContact CE2-CB 4.38Å; F49-M53 HydrophobicContact CE2-CG 4.16Å; F49-M53 HydrophobicContact CG-CB 3.81Å; F49-M53 HydrophobicContact CG-CG 3.83Å; G50-M53 WeakPolarHBondContact O-CB 3.37Å; G50-M53 PolarHBondContact O-N 3.04Å; P51-M53 VanDerWaalsContact C-N 3.27Å; P51-M53 PolarHBondContact O-N 3.36Å; M53-A55 VanDerWaalsContact C-N 3.28Å; M53-A55 PolarHBondContact O-N 3.16Å; M53-A56 WeakPolarHBondContact O-CB 3.45Å; M53-A56 PolarHBondContact O-N 3.03Å; M53-A56 VanDerWaalsContact O-N 3.11Å; M53-L57 HydrophobicContact CG-CD1 4.1Å; M53-L57 HydrophobicContact CG-CG 4.47Å; M53-L57 WeakPolarHBondContact O-CG 3.31Å; M53-L57 PolarHBondContact O-N 2.98Å; M53-L57 HydrophobicContact SD-CD1 4.42Å; M53-L57 HydrophobicContact SD-CG 4.31Å
54V98.7Very high97.7Very high0 Ų060.2 Ų60.20%033%0.331CS..Hα-helixtrans-54.7-47.4173.9-176.60000110.1L36 I38 P51 A56 L57 R58 L67 V69 A86 A88L36-V54 HydrophobicContact CD2-CB 4.49Å; L36-V54 HydrophobicContact CD2-CG2 3.93Å; I38-V54 HydrophobicContact CD1-CG2 3.87Å; P51-V54 WeakPolarHBondContact O-CB 3.28Å; P51-V54 PolarHBondContact O-N 2.74Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.46Å; V54-L57 PolarHBondContact O-N 3.25Å; V54-R58 WeakPolarHBondContact O-CB 3.41Å; V54-R58 PolarHBondContact O-N 2.89Å; V54-L67 HydrophobicContact CG1-CD1 4.31Å; V54-V69 HydrophobicContact CG1-CG2 4.15Å; V54-V69 HydrophobicContact CG2-CG1 4.45Å; V54-V69 HydrophobicContact CG2-CG2 4.1Å; V54-A86 HydrophobicContact CB-CB 3.82Å; V54-A86 HydrophobicContact CG1-CB 3.86Å; V54-A88 HydrophobicContact CG1-CB 4.14Å
55A98.7Very high97.7Very high23 Ų2362 Ų6219%0.1934%0.34CS..Hα-helixtrans-64.3-37.4178.800000112.7P51 M53 R59 A86P51-A55 PolarHBondContact O-N 3.15Å; M53-A55 VanDerWaalsContact C-N 3.28Å; M53-A55 PolarHBondContact O-N 3.16Å; A55-R59 WeakPolarHBondContact O-CG 3.35Å; A55-R59 PolarHBondContact O-N 3.26Å; A55-R59 VanDerWaalsContact O-N 3.12Å; A55-R59 PolarHBondContact O-NH1 3.28Å; A55-R59 VanDerWaalsContact O-NH1 3.17Å; A55-A86 WeakPolarHBondContact CA-O 3.42Å; A55-A86 HydrophobicContact CB-CB 3.87Å
56A98.6Very high97.8Very high32 Ų3260.1 Ų60.126%0.26432%0.321SS..Hα-helixtrans-66.1-45.5176.100000111.5S52 M53 V54 R59 K60S52-A56 WeakPolarHBondContact O-CB 3.33Å; S52-A56 PolarHBondContact O-N 3.41Å; M53-A56 WeakPolarHBondContact O-CB 3.45Å; M53-A56 PolarHBondContact O-N 3.03Å; M53-A56 VanDerWaalsContact O-N 3.11Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.46Å; A56-R59 PolarHBondContact O-N 3.14Å; A56-K60 WeakPolarHBondContact O-CG 3.46Å; A56-K60 PolarHBondContact O-N 2.78Å; A56-K60 VanDerWaalsContact O-N 3.15Å
57L98.6Very high97.9Very high4 Ų457.8 Ų57.82%0.02131%0.308CS..Hα-helixtrans-65.5-43.7177.2-69.6173.1000111.4I11 L19 L36 M53 V54 R59 K60 F61I11-L57 HydrophobicContact CD1-CD1 3.54Å; L19-L57 HydrophobicContact CD2-CD1 4.09Å; L19-L57 HydrophobicContact CG-CD2 4.44Å; L36-L57 HydrophobicContact CD2-CD1 3.72Å; L36-L57 HydrophobicContact CG-CD1 4.49Å; M53-L57 HydrophobicContact CG-CD1 4.1Å; M53-L57 HydrophobicContact CG-CG 4.47Å; M53-L57 WeakPolarHBondContact O-CG 3.31Å; M53-L57 PolarHBondContact O-N 2.98Å; M53-L57 HydrophobicContact SD-CD1 4.42Å; M53-L57 HydrophobicContact SD-CG 4.31Å; V54-L57 PolarHBondContact O-N 3.25Å; L57-R59 VanDerWaalsContact C-N 3.33Å; L57-R59 PolarHBondContact O-N 3.17Å; L57-K60 CarbonylContact O-C 3.59Å; L57-K60 PolarHBondContact O-N 2.81Å; L57-F61 HydrophobicContact CB-CD2 4.47Å; L57-F61 HydrophobicContact CD2-CD2 4.2Å; L57-F61 HydrophobicContact CD2-CE2 3.94Å; L57-F61 WeakPolarHBondContact O-CB 3.27Å; L57-F61 WeakPolarHBondContact O-CD2 3.41Å; L57-F61 PolarHBondContact O-N 3.19Å
58R98.5Very high97.9Very high26 Ų2651.9 Ų51.910%0.09828%0.278CS..Hα-helixtrans-57.8-42.2174.4175.254.465.1-158.611.6112.8V54 K60 F61 I65 L67 A86 G87 N89V54-R58 WeakPolarHBondContact O-CB 3.41Å; V54-R58 PolarHBondContact O-N 2.89Å; R58-K60 VanDerWaalsContact C-N 3.28Å; R58-K60 PolarHBondContact O-N 2.88Å; R58-F61 PolarHBondContact NH1-O 3.31Å; R58-F61 CarbonylContact O-C 3.54Å; R58-F61 PolarHBondContact O-N 2.9Å; R58-F61 VanDerWaalsContact O-O 3.14Å; R58-I65 PolarHBondContact NH1-O 3.44Å; R58-I65 PolarHBondContact NH2-O 3.36Å; R58-L67 HydrophobicContact CB-CD1 3.97Å; R58-A86 WeakPolarHBondContact CB-O 3.45Å; R58-G87 PolarHBondContact NE-O 3.36Å; R58-G87 PolarHBondContact NH2-O 2.83Å; R58-N89 PolarHBondContact NH2-OD1 3Å
59R98.4Very high98Very high188 Ų18850.7 Ų50.771%0.70927%0.27SS*.Hα-helixtrans-64.1-34.1175.6-74.8-167.3-52.3-81.82.6112.5A55 A56 L57A55-R59 WeakPolarHBondContact O-CG 3.35Å; A55-R59 PolarHBondContact O-N 3.26Å; A55-R59 VanDerWaalsContact O-N 3.12Å; A55-R59 PolarHBondContact O-NH1 3.28Å; A55-R59 VanDerWaalsContact O-NH1 3.17Å; A56-R59 PolarHBondContact O-N 3.14Å; L57-R59 VanDerWaalsContact C-N 3.33Å; L57-R59 PolarHBondContact O-N 3.17Å
60K98.1Very high98.1Very high133 Ų13349.4 Ų49.458%0.57826%0.264SS*.Hα-helixtrans-79.8-30177.4-70.8-64.6-172.8178.70112.9A56 L57 R58A56-K60 WeakPolarHBondContact O-CG 3.46Å; A56-K60 PolarHBondContact O-N 2.78Å; A56-K60 VanDerWaalsContact O-N 3.15Å; L57-K60 CarbonylContact O-C 3.59Å; L57-K60 PolarHBondContact O-N 2.81Å; R58-K60 VanDerWaalsContact C-N 3.28Å; R58-K60 PolarHBondContact O-N 2.88Å
61F98Very high98.2Very high10 Ų1048.4 Ų48.44%0.04425%0.254CS..SBendtrans-131.179.3-175-54-64.2000109.2S20 C23 R24 I27 L57 R58 I65S20-F61 VanDerWaalsContact O-CZ 3.28Å; S20-F61 WeakPolarHBondContact O-CZ 3.47Å; C23-F61 HydrophobicContact CB-CD2 4.28Å; C23-F61 HydrophobicContact CB-CE2 3.5Å; C23-F61 HydrophobicContact CB-CZ 3.81Å; R24-F61 HydrophobicContact CB-CE1 4.06Å; R24-F61 HydrophobicContact CB-CZ 4.11Å; I27-F61 HydrophobicContact CD1-CB 4.33Å; I27-F61 HydrophobicContact CD1-CD1 3.5Å; I27-F61 VanDerWaalsContact CD1-CD1 3.5Å; I27-F61 HydrophobicContact CD1-CD2 4.4Å; I27-F61 HydrophobicContact CD1-CE1 3.85Å; I27-F61 HydrophobicContact CD1-CG 3.81Å; I27-F61 HydrophobicContact CD1-CZ 4.44Å; L57-F61 HydrophobicContact CB-CD2 4.47Å; L57-F61 HydrophobicContact CD2-CD2 4.2Å; L57-F61 HydrophobicContact CD2-CE2 3.94Å; L57-F61 WeakPolarHBondContact O-CB 3.27Å; L57-F61 WeakPolarHBondContact O-CD2 3.41Å; L57-F61 PolarHBondContact O-N 3.19Å; R58-F61 PolarHBondContact NH1-O 3.31Å; R58-F61 CarbonylContact O-C 3.54Å; R58-F61 PolarHBondContact O-N 2.9Å; R58-F61 VanDerWaalsContact O-O 3.14Å; F61-I65 HydrophobicContact CB-CB 4.21Å; F61-I65 HydrophobicContact CB-CG1 4.16Å; F61-I65 HydrophobicContact CB-CG2 4.21Å
62P97.4Very high98.2Very high82 Ų8247.4 Ų47.453%0.53225%0.247SC..  trans-64.4172.9175.929-35.4000111I65P62-I65 PolarHBondContact O-N 3.1Å
63H95Very high98.2Very high126 Ų12643 Ų4358%0.58322%0.216SC*.THydrogen-bonded Turntrans-48.6140.7168.5-65.9108.3000110.6N89H63-N89 PolarHBondContact NE2-ND2 3.48Å; H63-N89 VanDerWaalsContact NE2-ND2 3.18Å
64P96Very high98.2Very high122 Ų12242.7 Ų42.779%0.79222%0.218SC*.THydrogen-bonded Turncis-93.311.617.737.6-37.4000115.6Y66P64-Y66 PolarHBondContact O-N 3.13Å; P64-Y66 VanDerWaalsContact O-N 3.16Å
65I98.1Very high98.2Very high39 Ų3946.6 Ų46.620%0.224%0.24CC..SBendtrans-62.1121.5-179.7-56.8-55.1000110.2I27 L34 R58 F61 P62 L67 N89I27-I65 HydrophobicContact CD1-CD1 4.1Å; I27-I65 HydrophobicContact CD1-CG1 4.13Å; I27-I65 HydrophobicContact CD1-CG2 3.97Å; I27-I65 HydrophobicContact CG1-CD1 4.17Å; I27-I65 HydrophobicContact CG1-CG2 4.39Å; I27-I65 HydrophobicContact CG2-CD1 3.65Å; L34-I65 HydrophobicContact CD1-CG2 4.28Å; L34-I65 HydrophobicContact CG-CG2 4.44Å; R58-I65 PolarHBondContact NH1-O 3.44Å; R58-I65 PolarHBondContact NH2-O 3.36Å; F61-I65 HydrophobicContact CB-CB 4.21Å; F61-I65 HydrophobicContact CB-CG1 4.16Å; F61-I65 HydrophobicContact CB-CG2 4.21Å; P62-I65 PolarHBondContact O-N 3.1Å; I65-L67 HydrophobicContact CG2-CD2 4.27Å; I65-N89 PolarHBondContact O-OD1 2.66Å
66Y98.7Very high98.2Very high63 Ų6345.5 Ų45.525%0.24723%0.231CC..  trans-84.3124.2-179.6-163.7-86.8000110.4F33 L34 P64 D68 N89 Q90F33-Y66 WeakPolarHBondContact CA-O 3.48Å; F33-Y66 HydrophobicContact CB-CD1 3.77Å; F33-Y66 HydrophobicContact CB-CG 4.22Å; L34-Y66 PolarHBondContact N-O 2.87Å; P64-Y66 PolarHBondContact O-N 3.13Å; P64-Y66 VanDerWaalsContact O-N 3.16Å; Y66-D68 HydrophobicContact CD1-CB 4.23Å; Y66-D68 HydrophobicContact CE1-CB 4.1Å; Y66-N89 VanDerWaalsContact CA-OD1 3.31Å; Y66-N89 WeakPolarHBondContact CA-OD1 3.48Å; Y66-N89 HydrophobicContact CD1-CB 4.1Å; Y66-N89 HydrophobicContact CD2-CB 3.55Å; Y66-N89 HydrophobicContact CE1-CB 4Å; Y66-N89 HydrophobicContact CE2-CB 3.42Å; Y66-N89 VanDerWaalsContact CE2-CB 3.42Å; Y66-N89 HydrophobicContact CG-CB 3.92Å; Y66-Q90 HydrophobicContact CE1-CB 3.87Å; Y66-Q90 WeakPolarHBondContact OH-CB 3.37Å; Y66-Q90 PolarHBondContact OH-OE1 3.14Å
67L98.9Very high98.2Very high0 Ų047.2 Ų47.20%024%0.235CC..EExtended strand (participates in β ladder)trans-106.6105.7175.5-59.3-176.4000108.7L34 L36 V54 R58 I65 N89 Q90L34-L67 HydrophobicContact CB-CD2 4.09Å; L34-L67 HydrophobicContact CD1-CD2 4.12Å; L36-L67 HydrophobicContact CD1-CB 4.36Å; L36-L67 HydrophobicContact CD1-CD2 4.15Å; V54-L67 HydrophobicContact CG1-CD1 4.31Å; R58-L67 HydrophobicContact CB-CD1 3.97Å; I65-L67 HydrophobicContact CG2-CD2 4.27Å; L67-N89 PolarHBondContact N-OD1 2.97Å; L67-N89 PolarHBondContact O-N 2.99Å; L67-Q90 PolarHBondContact O-N 3.09Å
68D98.9Very high98.2Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-91119.9172.4170.639.6000109.4F33 L34 H35 L36 Y66 Q90F33-D68 HydrophobicContact CD2-CB 3.82Å; F33-D68 HydrophobicContact CE2-CB 4.3Å; L34-D68 PolarHBondContact O-N 2.98Å; H35-D68 CarbonylContact C-O 3.55Å; H35-D68 WeakPolarHBondContact CA-O 3.33Å; H35-D68 IonicContact CE1-OD2 3.86Å; H35-D68 PolarHBondContact CE1-OD2 3.32Å; H35-D68 IonicContact CG-OD2 3.83Å; H35-D68 IonicContact ND1-OD2 2.96Å; H35-D68 PolarHBondContact ND1-OD2 3.35Å; L36-D68 PolarHBondContact N-O 2.81Å; Y66-D68 HydrophobicContact CD1-CB 4.23Å; Y66-D68 HydrophobicContact CE1-CB 4.1Å; D68-Q90 VanDerWaalsContact OD1-CD 3.24Å; D68-Q90 WeakPolarHBondContact OD1-CG 3.46Å; D68-Q90 PolarHBondContact OD1-NE2 2.67Å
69V98.9Very high98.2Very high0 Ų055 Ų550%027%0.268CS..EExtended strand (participates in β ladder)trans-113.7111.7-174.1-175.90000109.9L36 I38 V54 M71 V83 A88 Q90 T92L36-V69 HydrophobicContact CB-CG2 4.3Å; I38-V69 HydrophobicContact CD1-CG1 3.72Å; I38-V69 HydrophobicContact CG1-CG1 4.22Å; V54-V69 HydrophobicContact CG1-CG2 4.15Å; V54-V69 HydrophobicContact CG2-CG1 4.45Å; V54-V69 HydrophobicContact CG2-CG2 4.1Å; V69-M71 HydrophobicContact CG1-CG 4.1Å; V69-M71 HydrophobicContact CG1-SD 3.51Å; V69-M71 VanDerWaalsContact CG1-SD 3.51Å; V69-V83 HydrophobicContact CB-CG1 4.16Å; V69-V83 HydrophobicContact CG1-CG1 4.03Å; V69-V83 HydrophobicContact CG2-CG1 4.21Å; V69-A88 HydrophobicContact CB-CB 4.35Å; V69-A88 HydrophobicContact CG2-CB 3.55Å; V69-Q90 WeakPolarHBondContact CB-O 3.31Å; V69-Q90 PolarHBondContact N-O 2.93Å; V69-Q90 VanDerWaalsContact N-O 3.1Å; V69-T92 PolarHBondContact O-N 2.89Å
70H98.9Very high98.3Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-98.2113.6180175-153.3000110.6H35 L36 D37 I38 H94 M141 D175H35-H70 WeakPolarHBondContact CE1-CB 3.28Å; H35-H70 AromaticContact CE1-CG 3.87Å; H35-H70 AromaticContact CE1-ND1 3.79Å; H35-H70 WeakPolarHBondContact NE2-CB 3.24Å; H35-H70 AromaticContact NE2-CG 3.75Å; H35-H70 AromaticContact NE2-ND1 3.36Å; H35-H70 PolarHBondContact NE2-ND1 2.89Å; L36-H70 PolarHBondContact O-N 3.17Å; D37-H70 IonicContact OD1-CE1 2.64Å; D37-H70 IonicContact OD1-CG 3.96Å; D37-H70 IonicContact OD1-ND1 3.53Å; D37-H70 PolarHBondContact OD1-ND1 3.41Å; I38-H70 PolarHBondContact N-O 3.29Å; H70-H94 AromaticContact CD2-NE2 3.71Å; H70-H94 AromaticContact CE1-NE2 3.83Å; H70-H94 AromaticContact NE2-CD2 3.67Å; H70-H94 AromaticContact NE2-CE1 3.77Å; H70-H94 AromaticContact NE2-NE2 2.81Å; H70-H94 PolarHBondContact NE2-NE2 2.94Å; H70-M141 PolarHBondContact CE1-SD 2.99Å; H70-D175 IonicContact ND1-OD2 3.92Å
71M98.9Very high98.3Very high1 Ų141.6 Ų41.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-102.392.2-168.4-61.3-69.4-55.500110.7I38 V69 V73 W79 V83 Y91 T92I38-M71 HydrophobicContact CB-CE 4.23Å; I38-M71 HydrophobicContact CB-SD 3.66Å; I38-M71 HydrophobicContact CD1-SD 3.74Å; I38-M71 HydrophobicContact CG1-SD 4.14Å; I38-M71 HydrophobicContact CG2-CE 3.71Å; I38-M71 HydrophobicContact CG2-SD 3.84Å; V69-M71 HydrophobicContact CG1-CG 4.1Å; V69-M71 HydrophobicContact CG1-SD 3.51Å; V69-M71 VanDerWaalsContact CG1-SD 3.51Å; M71-V73 VanDerWaalsContact C-N 3.26Å; M71-V73 HydrophobicContact CB-CG2 4.16Å; M71-V73 HydrophobicContact CE-CG1 3.97Å; M71-V73 HydrophobicContact CE-CG2 3.88Å; M71-V73 PolarHBondContact O-N 3.17Å; M71-W79 HydrophobicContact CE-CB 3.76Å; M71-W79 HydrophobicContact CE-CG 4.05Å; M71-V83 HydrophobicContact CE-CG2 4.19Å; M71-V83 HydrophobicContact SD-CG2 4Å; M71-Y91 HydrophobicContact CB-CE1 4.18Å; M71-Y91 HydrophobicContact CE-CE2 4.13Å; M71-Y91 HydrophobicContact CG-CD1 4.27Å; M71-Y91 HydrophobicContact CG-CD2 4.05Å; M71-Y91 HydrophobicContact CG-CE1 3.85Å; M71-Y91 HydrophobicContact CG-CE2 3.56Å; M71-Y91 HydrophobicContact CG-CG 4.37Å; M71-Y91 VanDerWaalsContact CG-CZ 3.45Å; M71-Y91 HydrophobicContact SD-CE2 4.01Å; M71-T92 WeakPolarHBondContact CB-O 3.42Å; M71-T92 PolarHBondContact N-O 2.87Å
72M98.8Very high98.3Very high2 Ų243.3 Ų43.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-88.663172.2-70.1172-8500110.2D37 I38 M39 F43 V44 P145D37-M72 HydrophobicContact CB-CE 3.49Å; D37-M72 VanDerWaalsContact CB-CE 3.49Å; D37-M72 WeakPolarHBondContact OD1-CE 3.43Å; I38-M72 CarbonylContact O-C 3.34Å; I38-M72 WeakPolarHBondContact O-CA 3.27Å; I38-M72 WeakPolarHBondContact O-CB 3.38Å; I38-M72 PolarHBondContact O-N 2.96Å; M39-M72 HydrophobicContact CE-CE 3.29Å; M39-M72 HydrophobicContact CE-SD 3.77Å; M39-M72 HydrophobicContact CG-CB 4.09Å; M39-M72 HydrophobicContact CG-CE 3.75Å; M39-M72 HydrophobicContact CG-SD 4.22Å; M39-M72 HydrophobicContact SD-CE 4.36Å; F43-M72 VanDerWaalsContact CD1-C 3.49Å; F43-M72 HydrophobicContact CD1-CB 3.98Å; F43-M72 HydrophobicContact CE1-CB 4.4Å; V44-M72 HydrophobicContact CG1-CB 4.03Å; V44-M72 HydrophobicContact CG1-CG 4.37Å; V44-M72 HydrophobicContact CG1-SD 4.31Å; V44-M72 HydrophobicContact CG2-CB 3.87Å; M72-P145 HydrophobicContact CG-CB 4.06Å; M72-P145 HydrophobicContact SD-CB 3.48Å; M72-P145 WeakPolarHBondContact SD-CB 3.37Å
73V98.8Very high98.4Very high3 Ų339.4 Ų39.42%0.01821%0.213CC..  trans-131.3152-172.7-54.60000111.6I38 D40 F43 M71 P76 W79 A97I38-V73 HydrophobicContact CG2-CG1 3.87Å; D40-V73 HydrophobicContact CB-CB 4.04Å; D40-V73 HydrophobicContact CB-CG1 3.87Å; F43-V73 VanDerWaalsContact CB-C 3.45Å; M71-V73 VanDerWaalsContact C-N 3.26Å; M71-V73 HydrophobicContact CB-CG2 4.16Å; M71-V73 HydrophobicContact CE-CG1 3.97Å; M71-V73 HydrophobicContact CE-CG2 3.88Å; M71-V73 PolarHBondContact O-N 3.17Å; V73-P76 HydrophobicContact CG2-CB 4.4Å; V73-W79 HydrophobicContact CG2-CG 4.37Å; V73-A97 WeakPolarHBondContact O-CB 3.21Å
74S98.3Very high98.6Very high42 Ų4234.1 Ų34.129%0.29419%0.193SC..SBendtrans-72.2145.5168.5-61.40000110.3D40 H42 F43 Q78D40-S74 WeakPolarHBondContact OD2-CB 3.26Å; D40-S74 PolarHBondContact OD2-N 3.13Å; H42-S74 VanDerWaalsContact CB-OG 3.27Å; H42-S74 WeakPolarHBondContact CB-OG 3.39Å; F43-S74 PolarHBondContact N-OG 3.13Å; S74-Q78 PolarHBondContact O-NE2 2.65Å
75D98Very high98.7Very high83 Ų8337.3 Ų37.344%0.44419%0.194SC..SBendtrans48.868.5-179.1-178.723.9000111.9L77 Q78D75-L77 PolarHBondContact O-N 2.86Å; D75-L77 VanDerWaalsContact O-N 3.15Å; D75-Q78 VanDerWaalsContact O-CG 3.28Å; D75-Q78 WeakPolarHBondContact O-CG 3.48Å; D75-Q78 PolarHBondContact O-N 2.89Å; D75-Q78 PolarHBondContact O-NE2 3.3Å
76P98.8Very high98.7Very high0 Ų035.9 Ų35.90%019%0.188CC..G310 helixtrans-62.1-23.7-174.124.5-34.3000113V73 Q78 W79 V80 Y91 F93 A97 T98 V104V73-P76 HydrophobicContact CG2-CB 4.4Å; P76-Q78 VanDerWaalsContact C-N 3.26Å; P76-Q78 PolarHBondContact O-N 3.05Å; P76-W79 PolarHBondContact O-N 3.13Å; P76-V80 WeakPolarHBondContact O-CG2 3.4Å; P76-Y91 HydrophobicContact CB-CE1 4.46Å; P76-Y91 PolarHBondContact O-OH 3.04Å; P76-F93 HydrophobicContact CB-CB 3.79Å; P76-F93 HydrophobicContact CG-CB 4.13Å; P76-F93 HydrophobicContact CG-CD2 4.28Å; P76-A97 VanDerWaalsContact CD-O 3.23Å; P76-A97 WeakPolarHBondContact CD-O 3.49Å; P76-A97 HydrophobicContact CG-CB 4.16Å; P76-T98 HydrophobicContact CG-CG2 4.36Å; P76-V104 HydrophobicContact CB-CG1 4.49Å; P76-V104 HydrophobicContact CG-CG2 4.19Å
77L98.8Very high98.7Very high67 Ų6733.9 Ų33.935%0.35119%0.187SC..G310 helixtrans-59.1-37.4-179-177.857000112.2D75 W79 V80 V104 K107D75-L77 PolarHBondContact O-N 2.86Å; D75-L77 VanDerWaalsContact O-N 3.15Å; L77-W79 PolarHBondContact O-N 3.17Å; L77-V80 PolarHBondContact O-N 3.18Å; L77-V104 HydrophobicContact CB-CG2 4.09Å; L77-K107 HydrophobicContact CD1-CB 3.61Å; L77-K107 HydrophobicContact CD1-CG 3.85Å
78Q98.5Very high98.7Very high107 Ų10734.4 Ų34.450%0.519%0.191SC..G310 helixtrans-64.4-25.2-17682.6-172.1-65.800113.2S74 D75 P76S74-Q78 PolarHBondContact O-NE2 2.65Å; D75-Q78 VanDerWaalsContact O-CG 3.28Å; D75-Q78 WeakPolarHBondContact O-CG 3.48Å; D75-Q78 PolarHBondContact O-N 2.89Å; D75-Q78 PolarHBondContact O-NE2 3.3Å; P76-Q78 VanDerWaalsContact C-N 3.26Å; P76-Q78 PolarHBondContact O-N 3.05Å
79W98.8Very high98.7Very high87 Ų8735.9 Ų35.933%0.3320%0.199SC..G310 helixtrans-95.7-15-172-55.1107.9000113.7M71 V73 P76 L77 A81 A82 V83 Y91M71-W79 HydrophobicContact CE-CB 3.76Å; M71-W79 HydrophobicContact CE-CG 4.05Å; V73-W79 HydrophobicContact CG2-CG 4.37Å; P76-W79 PolarHBondContact O-N 3.13Å; L77-W79 PolarHBondContact O-N 3.17Å; W79-A81 PolarHBondContact O-N 2.84Å; W79-A82 PolarHBondContact O-N 3.36Å; W79-A82 VanDerWaalsContact O-N 3.07Å; W79-V83 PolarHBondContact O-N 3.12Å; W79-Y91 HydrophobicContact CB-CE2 4.46Å; W79-Y91 WeakPolarHBondContact CB-OH 3.46Å
80V98.9Very high98.7Very high0 Ų035.9 Ų35.90%020%0.199CC..Hα-helixtrans-55.9-49.4-171.4-178.30000112.1P76 L77 A82 V83 G84 Y91 V104 K107 I108 E111 M113P76-V80 WeakPolarHBondContact O-CG2 3.4Å; L77-V80 PolarHBondContact O-N 3.18Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.78Å; V80-V83 PolarHBondContact O-N 3.38Å; V80-G84 PolarHBondContact O-N 2.83Å; V80-Y91 HydrophobicContact CB-CE2 4.47Å; V80-Y91 HydrophobicContact CG2-CD1 4.46Å; V80-Y91 HydrophobicContact CG2-CE1 3.94Å; V80-Y91 HydrophobicContact CG2-CE2 4.2Å; V80-V104 HydrophobicContact CG2-CG1 4.25Å; V80-K107 HydrophobicContact CB-CG 3.79Å; V80-K107 HydrophobicContact CG1-CB 4.25Å; V80-K107 HydrophobicContact CG1-CG 3.74Å; V80-K107 HydrophobicContact CG2-CG 4.29Å; V80-I108 HydrophobicContact CG1-CB 4.21Å; V80-I108 HydrophobicContact CG1-CG1 3.66Å; V80-I108 HydrophobicContact CG2-CG1 4.04Å; V80-E111 HydrophobicContact CG1-CG 4.1Å; V80-M113 HydrophobicContact CG1-CE 3.83Å; V80-M113 WeakPolarHBondContact O-CE 3.34Å
81A98.9Very high98.7Very high40 Ų4035.9 Ų35.933%0.33120%0.199SC..Hα-helixtrans-64.6-35.6179.900000112.8W79 K85W79-A81 PolarHBondContact O-N 2.84Å; A81-K85 VanDerWaalsContact O-CB 3.26Å; A81-K85 WeakPolarHBondContact O-CB 3.4Å; A81-K85 PolarHBondContact O-N 2.88Å
82A98.8Very high98.7Very high45 Ų4535.8 Ų35.837%0.37220%0.198SC..Hα-helixtrans-69-39.4178.400000111.5P51 W79 V80 A86P51-A82 HydrophobicContact CB-CB 4.09Å; P51-A82 HydrophobicContact CG-CB 3.89Å; W79-A82 PolarHBondContact O-N 3.36Å; W79-A82 VanDerWaalsContact O-N 3.07Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.78Å; A82-A86 WeakPolarHBondContact O-CB 3.48Å; A82-A86 PolarHBondContact O-N 2.88Å
83V98.9Very high98.7Very high0 Ų035.7 Ų35.70%020%0.198CC..Hα-helixtrans-73.1-40.5177.61760000111.8P51 V69 M71 W79 V80 A86 G87 A88 Y91 M113P51-V83 HydrophobicContact CB-CG2 4.21Å; P51-V83 HydrophobicContact CG-CG2 3.82Å; V69-V83 HydrophobicContact CB-CG1 4.16Å; V69-V83 HydrophobicContact CG1-CG1 4.03Å; V69-V83 HydrophobicContact CG2-CG1 4.21Å; M71-V83 HydrophobicContact CE-CG2 4.19Å; M71-V83 HydrophobicContact SD-CG2 4Å; W79-V83 PolarHBondContact O-N 3.12Å; V80-V83 PolarHBondContact O-N 3.38Å; V83-A86 WeakPolarHBondContact O-CB 3.34Å; V83-A86 PolarHBondContact O-N 2.91Å; V83-A86 VanDerWaalsContact O-N 3.13Å; V83-G87 PolarHBondContact O-N 2.93Å; V83-A88 HydrophobicContact CG1-CB 3.47Å; V83-A88 VanDerWaalsContact CG1-CB 3.47Å; V83-A88 PolarHBondContact O-N 3.11Å; V83-Y91 HydrophobicContact CB-CD2 3.67Å; V83-Y91 HydrophobicContact CB-CE2 3.76Å; V83-Y91 HydrophobicContact CG1-CD2 3.61Å; V83-Y91 HydrophobicContact CG1-CE2 4.13Å; V83-Y91 HydrophobicContact CG2-CD2 4.08Å; V83-Y91 HydrophobicContact CG2-CE2 3.71Å; V83-M113 HydrophobicContact CG1-SD 4.11Å
84G98.9Very high98.7Very high15 Ų1535.6 Ų35.616%0.15520%0.197CC..Hα-helixtrans-58.5-51.3172.700000112V80 A86 G87 M113V80-G84 PolarHBondContact O-N 2.83Å; G84-A86 PolarHBondContact O-N 3.29Å; G84-G87 WeakPolarHBondContact O-CA 3.48Å; G84-G87 PolarHBondContact O-N 2.99Å; G84-M113 VanDerWaalsContact CA-SD 3.52Å
85K98.7Very high98.8Very high190 Ų19034.9 Ų34.983%0.82619%0.19SC*.Hα-helixtrans-60.8-28.9174.5-174.8176.5179.6179.30113.4A81 G87A81-K85 VanDerWaalsContact O-CB 3.26Å; A81-K85 WeakPolarHBondContact O-CB 3.4Å; A81-K85 PolarHBondContact O-N 2.88Å; K85-G87 PolarHBondContact O-N 2.93Å
86A98.7Very high98.8Very high9 Ų934.1 Ų34.17%0.07418%0.184CC..Hα-helixtrans-71.6-13.8174.800000113P51 V54 A55 R58 A82 V83 G84P51-A86 HydrophobicContact CB-CB 4.32Å; P51-A86 VanDerWaalsContact O-CB 3.28Å; P51-A86 WeakPolarHBondContact O-CB 3.42Å; V54-A86 HydrophobicContact CB-CB 3.82Å; V54-A86 HydrophobicContact CG1-CB 3.86Å; A55-A86 WeakPolarHBondContact CA-O 3.42Å; A55-A86 HydrophobicContact CB-CB 3.87Å; R58-A86 WeakPolarHBondContact CB-O 3.45Å; A82-A86 WeakPolarHBondContact O-CB 3.48Å; A82-A86 PolarHBondContact O-N 2.88Å; V83-A86 WeakPolarHBondContact O-CB 3.34Å; V83-A86 PolarHBondContact O-N 2.91Å; V83-A86 VanDerWaalsContact O-N 3.13Å; G84-A86 PolarHBondContact O-N 3.29Å
87G98.4Very high98.8Very high21 Ų2134.9 Ų34.922%0.21619%0.19CC..THydrogen-bonded Turntrans86.931.6175.400000113.9R58 V83 G84 K85R58-G87 PolarHBondContact NE-O 3.36Å; R58-G87 PolarHBondContact NH2-O 2.83Å; V83-G87 PolarHBondContact O-N 2.93Å; G84-G87 WeakPolarHBondContact O-CA 3.48Å; G84-G87 PolarHBondContact O-N 2.99Å; K85-G87 PolarHBondContact O-N 2.93Å
88A98.9Very high98.8Very high10 Ų1033.3 Ų33.38%0.08318%0.183CC..  trans-61.7151.9165.100000110.7V54 V69 V83 M113V54-A88 HydrophobicContact CG1-CB 4.14Å; V69-A88 HydrophobicContact CB-CB 4.35Å; V69-A88 HydrophobicContact CG2-CB 3.55Å; V83-A88 HydrophobicContact CG1-CB 3.47Å; V83-A88 VanDerWaalsContact CG1-CB 3.47Å; V83-A88 PolarHBondContact O-N 3.11Å; A88-M113 HydrophobicContact CB-SD 3.79Å
89N98.9Very high98.7Very high31 Ų3133.4 Ų33.417%0.16620%0.202CC..SBendtrans-93.1-31.3171.2-65.1102.6000111.7R58 H63 I65 Y66 L67 K114R58-N89 PolarHBondContact NH2-OD1 3Å; H63-N89 PolarHBondContact NE2-ND2 3.48Å; H63-N89 VanDerWaalsContact NE2-ND2 3.18Å; I65-N89 PolarHBondContact O-OD1 2.66Å; Y66-N89 VanDerWaalsContact CA-OD1 3.31Å; Y66-N89 WeakPolarHBondContact CA-OD1 3.48Å; Y66-N89 HydrophobicContact CD1-CB 4.1Å; Y66-N89 HydrophobicContact CD2-CB 3.55Å; Y66-N89 HydrophobicContact CE1-CB 4Å; Y66-N89 HydrophobicContact CE2-CB 3.42Å; Y66-N89 VanDerWaalsContact CE2-CB 3.42Å; Y66-N89 HydrophobicContact CG-CB 3.92Å; L67-N89 PolarHBondContact N-OD1 2.97Å; L67-N89 PolarHBondContact O-N 2.99Å; N89-K114 PolarHBondContact O-N 3.28Å
90Q98.9Very high98.7Very high0 Ų032.9 Ų32.90%021%0.206CC..EExtended strand (participates in β ladder)trans-134.4141.7-178.7176.9170.3-48.100110.1Y66 L67 D68 V69 T92 K114 V137Y66-Q90 HydrophobicContact CE1-CB 3.87Å; Y66-Q90 WeakPolarHBondContact OH-CB 3.37Å; Y66-Q90 PolarHBondContact OH-OE1 3.14Å; L67-Q90 PolarHBondContact O-N 3.09Å; D68-Q90 VanDerWaalsContact OD1-CD 3.24Å; D68-Q90 WeakPolarHBondContact OD1-CG 3.46Å; D68-Q90 PolarHBondContact OD1-NE2 2.67Å; V69-Q90 WeakPolarHBondContact CB-O 3.31Å; V69-Q90 PolarHBondContact N-O 2.93Å; V69-Q90 VanDerWaalsContact N-O 3.1Å; Q90-T92 PolarHBondContact NE2-OG1 3.12Å; Q90-K114 WeakPolarHBondContact CA-O 3.46Å; Q90-K114 HydrophobicContact CB-CB 4.01Å; Q90-K114 HydrophobicContact CG-CB 4.19Å; Q90-V137 VanDerWaalsContact OE1-CG2 3.28Å
91Y98.9Very high98.7Very high0 Ų034 Ų340%021%0.213CC..EExtended strand (participates in β ladder)trans-121112.4172.3-172-76.1000108.5M71 P76 W79 V80 V83 F93 I108 M113 K114 G116M71-Y91 HydrophobicContact CB-CE1 4.18Å; M71-Y91 HydrophobicContact CE-CE2 4.13Å; M71-Y91 HydrophobicContact CG-CD1 4.27Å; M71-Y91 HydrophobicContact CG-CD2 4.05Å; M71-Y91 HydrophobicContact CG-CE1 3.85Å; M71-Y91 HydrophobicContact CG-CE2 3.56Å; M71-Y91 HydrophobicContact CG-CG 4.37Å; M71-Y91 VanDerWaalsContact CG-CZ 3.45Å; M71-Y91 HydrophobicContact SD-CE2 4.01Å; P76-Y91 HydrophobicContact CB-CE1 4.46Å; P76-Y91 PolarHBondContact O-OH 3.04Å; W79-Y91 HydrophobicContact CB-CE2 4.46Å; W79-Y91 WeakPolarHBondContact CB-OH 3.46Å; V80-Y91 HydrophobicContact CB-CE2 4.47Å; V80-Y91 HydrophobicContact CG2-CD1 4.46Å; V80-Y91 HydrophobicContact CG2-CE1 3.94Å; V80-Y91 HydrophobicContact CG2-CE2 4.2Å; V83-Y91 HydrophobicContact CB-CD2 3.67Å; V83-Y91 HydrophobicContact CB-CE2 3.76Å; V83-Y91 HydrophobicContact CG1-CD2 3.61Å; V83-Y91 HydrophobicContact CG1-CE2 4.13Å; V83-Y91 HydrophobicContact CG2-CD2 4.08Å; V83-Y91 HydrophobicContact CG2-CE2 3.71Å; Y91-F93 HydrophobicContact CD1-CB 4.36Å; Y91-F93 HydrophobicContact CE1-CB 3.93Å; Y91-I108 HydrophobicContact CD1-CD1 3.48Å; Y91-I108 VanDerWaalsContact CD1-CD1 3.48Å; Y91-I108 HydrophobicContact CD1-CG1 3.77Å; Y91-I108 HydrophobicContact CE1-CD1 4.24Å; Y91-I108 HydrophobicContact CE1-CG1 4.49Å; Y91-I108 HydrophobicContact CG-CD1 4.14Å; Y91-I108 HydrophobicContact CG-CG1 4.03Å; Y91-M113 HydrophobicContact CD2-CE 4.08Å; Y91-M113 HydrophobicContact CG-CE 4.31Å; Y91-K114 PolarHBondContact N-O 3.21Å; Y91-G116 PolarHBondContact O-N 2.82Å
92T99Very high98.7Very high0 Ų034.7 Ų34.70%021%0.21CC..EExtended strand (participates in β ladder)trans-105.9112.9179.9-53.30000110.2V69 M71 Q90 G116 A118 L139V69-T92 PolarHBondContact O-N 2.89Å; M71-T92 WeakPolarHBondContact CB-O 3.42Å; M71-T92 PolarHBondContact N-O 2.87Å; Q90-T92 PolarHBondContact NE2-OG1 3.12Å; T92-G116 WeakPolarHBondContact CA-O 3.17Å; T92-A118 HydrophobicContact CG2-CB 3.87Å; T92-L139 HydrophobicContact CG2-CB 3.76Å; T92-L139 HydrophobicContact CG2-CD2 3.82Å; T92-L139 HydrophobicContact CG2-CG 4.43Å
93F98.9Very high98.7Very high0 Ų034.7 Ų34.70%021%0.208CC..EExtended strand (participates in β ladder)trans-105.5153177.373.1-81.2000111.9P76 Y91 T98 P101 V104 I105 I108 G116 L117 A118P76-F93 HydrophobicContact CB-CB 3.79Å; P76-F93 HydrophobicContact CG-CB 4.13Å; P76-F93 HydrophobicContact CG-CD2 4.28Å; Y91-F93 HydrophobicContact CD1-CB 4.36Å; Y91-F93 HydrophobicContact CE1-CB 3.93Å; F93-T98 HydrophobicContact CD2-CG2 4.02Å; F93-T98 HydrophobicContact CE2-CG2 3.82Å; F93-P101 HydrophobicContact CE2-CB 3.9Å; F93-P101 HydrophobicContact CZ-CB 3.99Å; F93-V104 HydrophobicContact CB-CG1 4.18Å; F93-V104 HydrophobicContact CD1-CB 4.39Å; F93-V104 HydrophobicContact CD1-CG1 3.63Å; F93-V104 HydrophobicContact CD2-CB 4.34Å; F93-V104 HydrophobicContact CD2-CG1 4.02Å; F93-V104 HydrophobicContact CE1-CB 4.22Å; F93-V104 HydrophobicContact CE1-CG1 3.93Å; F93-V104 HydrophobicContact CE2-CB 4.17Å; F93-V104 HydrophobicContact CE2-CG1 4.28Å; F93-V104 HydrophobicContact CE2-CG2 4.49Å; F93-V104 HydrophobicContact CG-CB 4.44Å; F93-V104 HydrophobicContact CG-CG1 3.68Å; F93-V104 HydrophobicContact CZ-CB 4.09Å; F93-V104 HydrophobicContact CZ-CG1 4.23Å; F93-I105 HydrophobicContact CE1-CG1 3.85Å; F93-I105 HydrophobicContact CZ-CD1 4.37Å; F93-I105 HydrophobicContact CZ-CG1 3.89Å; F93-I108 HydrophobicContact CD1-CD1 3.78Å; F93-I108 HydrophobicContact CE1-CD1 4.12Å; F93-G116 WeakPolarHBondContact CD1-O 3.37Å; F93-G116 PolarHBondContact N-O 3.4Å; F93-G116 VanDerWaalsContact N-O 3.08Å; F93-L117 HydrophobicContact CD2-CD1 4.14Å; F93-L117 HydrophobicContact CE1-CD1 4.11Å; F93-L117 HydrophobicContact CE2-CD1 3.59Å; F93-L117 HydrophobicContact CZ-CD1 3.58Å; F93-L117 CarbonylContact O-C 3.59Å; F93-A118 PolarHBondContact O-N 2.74Å
94H98.9Very high98.7Very high0 Ų034.7 Ų34.70%021%0.208CC..EExtended strand (participates in β ladder)trans-82.3134.8173.6-81.1-100.6000111.9F43 H70 E96 A97 A118F43-H94 HydrophobicContact CE1-CB 3.78Å; F43-H94 AromaticContact CE1-CD2 3.63Å; F43-H94 AromaticContact CE1-CG 3.41Å; F43-H94 VanDerWaalsContact CE1-CG 3.41Å; F43-H94 AromaticContact CE1-ND1 3.76Å; F43-H94 HydrophobicContact CE2-CB 4.12Å; F43-H94 HydrophobicContact CZ-CB 3.33Å; F43-H94 AromaticContact CZ-CG 3.38Å; F43-H94 AromaticContact CZ-ND1 3.65Å; H70-H94 AromaticContact CD2-NE2 3.71Å; H70-H94 AromaticContact CE1-NE2 3.83Å; H70-H94 AromaticContact NE2-CD2 3.67Å; H70-H94 AromaticContact NE2-CE1 3.77Å; H70-H94 AromaticContact NE2-NE2 2.81Å; H70-H94 PolarHBondContact NE2-NE2 2.94Å; H94-E96 IonicContact CG-OE2 3.42Å; H94-E96 IonicContact ND1-OE2 2.71Å; H94-E96 PolarHBondContact O-N 2.53Å; H94-A97 HydrophobicContact CB-CB 4.1Å; H94-A97 WeakPolarHBondContact O-CB 3.22Å; H94-A97 PolarHBondContact O-N 2.86Å; H94-A97 VanDerWaalsContact O-N 3.11Å; H94-A118 WeakPolarHBondContact CA-O 3.49Å
95L98.8Very high98.7Very high28 Ų2834 Ų3415%0.14720%0.201CC..G310 helixtrans-53.8-40.3171.6-176.671.4000111.2A97 T98 P101 L117 A118 I119 T123 V128 L131L95-A97 PolarHBondContact O-N 3.37Å; L95-T98 PolarHBondContact O-N 3.12Å; L95-T98 VanDerWaalsContact O-O 3.13Å; L95-P101 HydrophobicContact CD1-CB 4.36Å; L95-P101 HydrophobicContact CD1-CG 4.35Å; L95-L117 HydrophobicContact CB-CD1 4.05Å; L95-L117 HydrophobicContact CD1-CD1 4.39Å; L95-A118 PolarHBondContact N-O 3.11Å; L95-I119 HydrophobicContact CB-CG2 4.19Å; L95-I119 HydrophobicContact CD2-CG2 4.4Å; L95-T123 HydrophobicContact CD2-CG2 3.94Å; L95-V128 HydrophobicContact CB-CG1 4.39Å; L95-V128 HydrophobicContact CD1-CG1 4.13Å; L95-V128 HydrophobicContact CD2-CG1 3.49Å; L95-V128 VanDerWaalsContact CD2-CG1 3.49Å; L95-V128 HydrophobicContact CG-CG1 4.2Å; L95-L131 HydrophobicContact CD1-CD1 3.83Å
96E98.7Very high98.7Very high66 Ų6631.1 Ų31.131%0.30819%0.188SC..G310 helixtrans-71-11.1-175.5-56.185166.900113.2F43 H94 K120 T123F43-E96 HydrophobicContact CE2-CB 4.02Å; F43-E96 HydrophobicContact CZ-CB 4.29Å; H94-E96 IonicContact CG-OE2 3.42Å; H94-E96 IonicContact ND1-OE2 2.71Å; H94-E96 PolarHBondContact O-N 2.53Å; E96-K120 HydrophobicContact CG-CD 4.32Å; E96-K120 HydrophobicContact CG-CG 4.38Å; E96-K120 VanDerWaalsContact OE1-CB 3.32Å; E96-K120 WeakPolarHBondContact OE1-CB 3.44Å; E96-K120 PolarHBondContact OE1-N 3.03Å; E96-T123 WeakPolarHBondContact OE1-CB 3.33Å; E96-T123 PolarHBondContact OE1-OG1 3.16Å
97A98.6Very high98.7Very high17 Ų1734.1 Ų34.114%0.1420%0.199CC..G310 helixtrans-94.3-3.8-177.400000113.8F43 V73 P76 H94 L95F43-A97 HydrophobicContact CD2-CB 3.79Å; F43-A97 HydrophobicContact CE2-CB 3.71Å; F43-A97 HydrophobicContact CG-CB 4.47Å; F43-A97 HydrophobicContact CZ-CB 4.32Å; V73-A97 WeakPolarHBondContact O-CB 3.21Å; P76-A97 VanDerWaalsContact CD-O 3.23Å; P76-A97 WeakPolarHBondContact CD-O 3.49Å; P76-A97 HydrophobicContact CG-CB 4.16Å; H94-A97 HydrophobicContact CB-CB 4.1Å; H94-A97 WeakPolarHBondContact O-CB 3.22Å; H94-A97 PolarHBondContact O-N 2.86Å; H94-A97 VanDerWaalsContact O-N 3.11Å; L95-A97 PolarHBondContact O-N 3.37Å
98T98.5Very high98.7Very high33 Ų3333.1 Ų33.120%0.20219%0.189CC..  trans-144.4146.7-177.4-176.80000112.5P76 F93 L95 D100 P101 V104P76-T98 HydrophobicContact CG-CG2 4.36Å; F93-T98 HydrophobicContact CD2-CG2 4.02Å; F93-T98 HydrophobicContact CE2-CG2 3.82Å; L95-T98 PolarHBondContact O-N 3.12Å; L95-T98 VanDerWaalsContact O-O 3.13Å; T98-D100 PolarHBondContact OG1-N 3.06Å; T98-D100 PolarHBondContact OG1-O 3.08Å; T98-P101 HydrophobicContact CG2-CB 4.24Å; T98-V104 HydrophobicContact CG2-CG2 4.12Å
99A97.6Very high98.7Very high109 Ų10937.7 Ų37.790%0.90121%0.209SC*.SBendtrans-89.6-10.9169.800000112.8
100D98.2Very high98.7Very high77 Ų7739.6 Ų39.641%0.41223%0.229SC..  trans-132.377.3-178.9-174.7-0.4000110.4T98 M102 S103T98-D100 PolarHBondContact OG1-N 3.06Å; T98-D100 PolarHBondContact OG1-O 3.08Å; D100-M102 VanDerWaalsContact C-N 3.27Å; D100-M102 PolarHBondContact O-N 3.38Å; D100-M102 PolarHBondContact OD1-N 3.34Å; D100-S103 VanDerWaalsContact CG-OG 3.25Å; D100-S103 PolarHBondContact O-N 3.02Å; D100-S103 PolarHBondContact OD1-N 3.19Å; D100-S103 VanDerWaalsContact OD1-N 3.14Å; D100-S103 PolarHBondContact OD1-OG 3.48Å; D100-S103 VanDerWaalsContact OD2-CB 3.23Å; D100-S103 WeakPolarHBondContact OD2-CB 3.45Å; D100-S103 PolarHBondContact OD2-OG 2.96Å
101P98.7Very high98.7Very high22 Ų2242.3 Ų42.314%0.14324%0.242CC..Hα-helixtrans-62.2-32.7179.923.3-32.9000112.7F93 L95 T98 S103 V104 I105 L131F93-P101 HydrophobicContact CE2-CB 3.9Å; F93-P101 HydrophobicContact CZ-CB 3.99Å; L95-P101 HydrophobicContact CD1-CB 4.36Å; L95-P101 HydrophobicContact CD1-CG 4.35Å; T98-P101 HydrophobicContact CG2-CB 4.24Å; P101-S103 PolarHBondContact O-N 3.34Å; P101-V104 WeakPolarHBondContact O-CB 3.31Å; P101-V104 PolarHBondContact O-N 3.08Å; P101-V104 VanDerWaalsContact O-N 3.14Å; P101-I105 VanDerWaalsContact O-CG1 3.32Å; P101-I105 WeakPolarHBondContact O-CG1 3.31Å; P101-I105 PolarHBondContact O-N 3.49Å; P101-L131 HydrophobicContact CB-CD1 3.87Å; P101-L131 HydrophobicContact CG-CD1 3.72Å; P101-L131 HydrophobicContact CG-CD2 4.23Å
102M98.6Very high98.7Very high55 Ų5551.2 Ų51.227%0.27128%0.283SS..Hα-helixtrans-67-35.3-178.6-74.5-55.3-59.100112.9D100 V104 I105 K106 L131 E134D100-M102 VanDerWaalsContact C-N 3.27Å; D100-M102 PolarHBondContact O-N 3.38Å; D100-M102 PolarHBondContact OD1-N 3.34Å; M102-V104 VanDerWaalsContact C-N 3.31Å; M102-I105 PolarHBondContact O-N 3.01Å; M102-I105 HydrophobicContact SD-CD1 3.88Å; M102-K106 WeakPolarHBondContact O-CG 3.4Å; M102-K106 PolarHBondContact O-N 3.16Å; M102-L131 HydrophobicContact CG-CD2 4.12Å; M102-L131 HydrophobicContact SD-CD2 3.65Å; M102-E134 HydrophobicContact CE-CB 4.41Å; M102-E134 HydrophobicContact CE-CG 4.09Å; M102-E134 HydrophobicContact SD-CB 4.31Å; M102-E134 HydrophobicContact SD-CG 4.04Å
103S98.8Very high98.7Very high46 Ų4651.8 Ų51.832%0.32229%0.286SS..Hα-helixtrans-65.4-35.6172.9-74.10000112.3D100 P101 K107D100-S103 VanDerWaalsContact CG-OG 3.25Å; D100-S103 PolarHBondContact O-N 3.02Å; D100-S103 PolarHBondContact OD1-N 3.19Å; D100-S103 VanDerWaalsContact OD1-N 3.14Å; D100-S103 PolarHBondContact OD1-OG 3.48Å; D100-S103 VanDerWaalsContact OD2-CB 3.23Å; D100-S103 WeakPolarHBondContact OD2-CB 3.45Å; D100-S103 PolarHBondContact OD2-OG 2.96Å; P101-S103 PolarHBondContact O-N 3.34Å; S103-K107 WeakPolarHBondContact O-CB 3.08Å; S103-K107 PolarHBondContact O-N 3.27Å
104V98.9Very high98.7Very high0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-66.5-49.5174.7-173.10000110.5P76 L77 V80 F93 T98 P101 M102 K106 K107 I108P76-V104 HydrophobicContact CB-CG1 4.49Å; P76-V104 HydrophobicContact CG-CG2 4.19Å; L77-V104 HydrophobicContact CB-CG2 4.09Å; V80-V104 HydrophobicContact CG2-CG1 4.25Å; F93-V104 HydrophobicContact CB-CG1 4.18Å; F93-V104 HydrophobicContact CD1-CB 4.39Å; F93-V104 HydrophobicContact CD1-CG1 3.63Å; F93-V104 HydrophobicContact CD2-CB 4.34Å; F93-V104 HydrophobicContact CD2-CG1 4.02Å; F93-V104 HydrophobicContact CE1-CB 4.22Å; F93-V104 HydrophobicContact CE1-CG1 3.93Å; F93-V104 HydrophobicContact CE2-CB 4.17Å; F93-V104 HydrophobicContact CE2-CG1 4.28Å; F93-V104 HydrophobicContact CE2-CG2 4.49Å; F93-V104 HydrophobicContact CG-CB 4.44Å; F93-V104 HydrophobicContact CG-CG1 3.68Å; F93-V104 HydrophobicContact CZ-CB 4.09Å; F93-V104 HydrophobicContact CZ-CG1 4.23Å; T98-V104 HydrophobicContact CG2-CG2 4.12Å; P101-V104 WeakPolarHBondContact O-CB 3.31Å; P101-V104 PolarHBondContact O-N 3.08Å; P101-V104 VanDerWaalsContact O-N 3.14Å; M102-V104 VanDerWaalsContact C-N 3.31Å; V104-K106 PolarHBondContact O-N 3.06Å; V104-K107 PolarHBondContact O-N 3.29Å; V104-K107 VanDerWaalsContact O-N 3.13Å; V104-I108 HydrophobicContact CG1-CD1 3.86Å; V104-I108 HydrophobicContact CG1-CG1 4.4Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.02Å; V104-I108 PolarHBondContact O-N 3.24Å
105I98.9Very high98.7Very high0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-53-56.7178-69.6168.1000110.9F93 P101 M102 K107 I108 E109 V115 L131 E134 I135F93-I105 HydrophobicContact CE1-CG1 3.85Å; F93-I105 HydrophobicContact CZ-CD1 4.37Å; F93-I105 HydrophobicContact CZ-CG1 3.89Å; P101-I105 VanDerWaalsContact O-CG1 3.32Å; P101-I105 WeakPolarHBondContact O-CG1 3.31Å; P101-I105 PolarHBondContact O-N 3.49Å; M102-I105 PolarHBondContact O-N 3.01Å; M102-I105 HydrophobicContact SD-CD1 3.88Å; I105-K107 PolarHBondContact O-N 2.95Å; I105-K107 VanDerWaalsContact O-N 3.15Å; I105-I108 WeakPolarHBondContact O-CB 3.26Å; I105-I108 PolarHBondContact O-N 3.06Å; I105-E109 WeakPolarHBondContact O-CG 3.36Å; I105-E109 PolarHBondContact O-N 2.67Å; I105-V115 HydrophobicContact CB-CG1 4.24Å; I105-V115 HydrophobicContact CG1-CG1 3.81Å; I105-V115 HydrophobicContact CG2-CG1 4.06Å; I105-V115 HydrophobicContact CG2-CG2 4.38Å; I105-L131 HydrophobicContact CD1-CD2 4.31Å; I105-E134 HydrophobicContact CD1-CB 4.13Å; I105-E134 HydrophobicContact CG2-CB 4.4Å; I105-E134 WeakPolarHBondContact CG2-O 3.37Å; I105-I135 HydrophobicContact CD1-CG2 3.99Å; I105-I135 HydrophobicContact CG1-CG2 4.4Å
106K98.9Very high98.7Very high130 Ų13055.1 Ų55.157%0.56530%0.3SS*.Hα-helixtrans-58.1-34.6-179.6-72.1175.9-177.8176.80112.7M102 V104 A110M102-K106 WeakPolarHBondContact O-CG 3.4Å; M102-K106 PolarHBondContact O-N 3.16Å; V104-K106 PolarHBondContact O-N 3.06Å; K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 3.44Å
107K98.9Very high98.7Very high72 Ų7252 Ų5231%0.31329%0.285SS..Hα-helixtrans-72.3-36.2178.5-174.360.4-169.1158.30111.6L77 V80 S103 V104 I105 A110 E111L77-K107 HydrophobicContact CD1-CB 3.61Å; L77-K107 HydrophobicContact CD1-CG 3.85Å; V80-K107 HydrophobicContact CB-CG 3.79Å; V80-K107 HydrophobicContact CG1-CB 4.25Å; V80-K107 HydrophobicContact CG1-CG 3.74Å; V80-K107 HydrophobicContact CG2-CG 4.29Å; S103-K107 WeakPolarHBondContact O-CB 3.08Å; S103-K107 PolarHBondContact O-N 3.27Å; V104-K107 PolarHBondContact O-N 3.29Å; V104-K107 VanDerWaalsContact O-N 3.13Å; I105-K107 PolarHBondContact O-N 2.95Å; I105-K107 VanDerWaalsContact O-N 3.15Å; K107-A110 PolarHBondContact O-N 3.41Å; K107-E111 WeakPolarHBondContact CE-OE1 3.3Å; K107-E111 IonicContact NZ-OE1 3.63Å; K107-E111 PolarHBondContact NZ-OE1 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.39Å; K107-E111 PolarHBondContact O-N 3.18Å
108I98.9Very high98.7Very high0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-64.9-46.4175.8-65.4162.4000110V80 Y91 F93 V104 I105 A110 E111 E112 M113 V115V80-I108 HydrophobicContact CG1-CB 4.21Å; V80-I108 HydrophobicContact CG1-CG1 3.66Å; V80-I108 HydrophobicContact CG2-CG1 4.04Å; Y91-I108 HydrophobicContact CD1-CD1 3.48Å; Y91-I108 VanDerWaalsContact CD1-CD1 3.48Å; Y91-I108 HydrophobicContact CD1-CG1 3.77Å; Y91-I108 HydrophobicContact CE1-CD1 4.24Å; Y91-I108 HydrophobicContact CE1-CG1 4.49Å; Y91-I108 HydrophobicContact CG-CD1 4.14Å; Y91-I108 HydrophobicContact CG-CG1 4.03Å; F93-I108 HydrophobicContact CD1-CD1 3.78Å; F93-I108 HydrophobicContact CE1-CD1 4.12Å; V104-I108 HydrophobicContact CG1-CD1 3.86Å; V104-I108 HydrophobicContact CG1-CG1 4.4Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.02Å; V104-I108 PolarHBondContact O-N 3.24Å; I105-I108 WeakPolarHBondContact O-CB 3.26Å; I105-I108 PolarHBondContact O-N 3.06Å; I108-A110 VanDerWaalsContact C-N 3.32Å; I108-A110 PolarHBondContact O-N 2.99Å; I108-E111 CarbonylContact O-C 3.59Å; I108-E111 PolarHBondContact O-N 2.97Å; I108-E111 VanDerWaalsContact O-N 3.08Å; I108-E112 PolarHBondContact O-N 3.17Å; I108-M113 HydrophobicContact CG2-CB 3.8Å; I108-M113 HydrophobicContact CG2-CE 4.38Å; I108-M113 PolarHBondContact O-N 2.89Å; I108-V115 HydrophobicContact CB-CG2 4.14Å; I108-V115 HydrophobicContact CD1-CG1 4.29Å; I108-V115 HydrophobicContact CG2-CB 4.41Å; I108-V115 HydrophobicContact CG2-CG2 3.84Å
109E98.8Very high98.7Very high105 Ų10549.6 Ų49.649%0.49127%0.269SS..Hα-helixtrans-59.2-42.7176.3-65177.2132.500111.9I105 E111 E112 V115I105-E109 WeakPolarHBondContact O-CG 3.36Å; I105-E109 PolarHBondContact O-N 2.67Å; E109-E111 PolarHBondContact O-N 3.25Å; E109-E112 WeakPolarHBondContact O-CA 3.48Å; E109-E112 PolarHBondContact O-N 3.39Å; E109-V115 HydrophobicContact CG-CG2 3.69Å
110A98.8Very high98.8Very high72 Ų7246 Ų4660%0.59523%0.233SC*.Hα-helixtrans-65.3-19.9178.100000113.7K106 K107 I108K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 3.44Å; K107-A110 PolarHBondContact O-N 3.41Å; I108-A110 VanDerWaalsContact C-N 3.32Å; I108-A110 PolarHBondContact O-N 2.99Å
111E98.7Very high98.8Very high57 Ų5743.6 Ų43.627%0.26622%0.221SC..THydrogen-bonded Turntrans-97.113.4173-61.1-69.1153.300112.1V80 K107 I108 E109 M113V80-E111 HydrophobicContact CG1-CG 4.1Å; K107-E111 WeakPolarHBondContact CE-OE1 3.3Å; K107-E111 IonicContact NZ-OE1 3.63Å; K107-E111 PolarHBondContact NZ-OE1 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.39Å; K107-E111 PolarHBondContact O-N 3.18Å; I108-E111 CarbonylContact O-C 3.59Å; I108-E111 PolarHBondContact O-N 2.97Å; I108-E111 VanDerWaalsContact O-N 3.08Å; E109-E111 PolarHBondContact O-N 3.25Å; E111-M113 HydrophobicContact CB-CE 3.86Å; E111-M113 PolarHBondContact O-N 2.82Å
112E98.6Very high98.8Very high187 Ų18747 Ų4787%0.87425%0.251SS*.THydrogen-bonded Turntrans58.827.4175.2-54.8-174.8147.400114.6I108 E109I108-E112 PolarHBondContact O-N 3.17Å; E109-E112 WeakPolarHBondContact O-CA 3.48Å; E109-E112 PolarHBondContact O-N 3.39Å
113M98.8Very high98.8Very high12 Ų1245.3 Ų45.36%0.05924%0.244CC..  trans-98.4158.1173.8-65.6-177.1-72.400111.3V80 V83 G84 A88 Y91 I108 E111V80-M113 HydrophobicContact CG1-CE 3.83Å; V80-M113 WeakPolarHBondContact O-CE 3.34Å; V83-M113 HydrophobicContact CG1-SD 4.11Å; G84-M113 VanDerWaalsContact CA-SD 3.52Å; A88-M113 HydrophobicContact CB-SD 3.79Å; Y91-M113 HydrophobicContact CD2-CE 4.08Å; Y91-M113 HydrophobicContact CG-CE 4.31Å; I108-M113 HydrophobicContact CG2-CB 3.8Å; I108-M113 HydrophobicContact CG2-CE 4.38Å; I108-M113 PolarHBondContact O-N 2.89Å; E111-M113 HydrophobicContact CB-CE 3.86Å; E111-M113 PolarHBondContact O-N 2.82Å
114K98.9Very high98.8Very high97 Ų9746.2 Ų46.242%0.42225%0.249SC..EExtended strand (participates in β ladder)trans-69138.9166-70.3-67.5-175.4-174.50111.1N89 Q90 Y91 D136N89-K114 PolarHBondContact O-N 3.28Å; Q90-K114 WeakPolarHBondContact CA-O 3.46Å; Q90-K114 HydrophobicContact CB-CB 4.01Å; Q90-K114 HydrophobicContact CG-CB 4.19Å; Y91-K114 PolarHBondContact N-O 3.21Å; K114-D136 WeakPolarHBondContact CA-OD2 3.36Å; K114-D136 HydrophobicContact CB-CB 4.27Å; K114-D136 HydrophobicContact CD-CB 3.81Å; K114-D136 VanDerWaalsContact CD-OD1 3.3Å; K114-D136 WeakPolarHBondContact CD-OD1 3.28Å; K114-D136 WeakPolarHBondContact CD-OD2 3.33Å; K114-D136 IonicContact NZ-OD1 3.63Å; K114-D136 PolarHBondContact NZ-OD1 2.95Å; K114-D136 IonicContact NZ-OD2 3.15Å
115V98.9Very high98.7Very high1 Ų146.5 Ų46.51%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-90.4108.1-176.6-175.30000109.9I105 I108 E109 I135 D136 V137I105-V115 HydrophobicContact CB-CG1 4.24Å; I105-V115 HydrophobicContact CG1-CG1 3.81Å; I105-V115 HydrophobicContact CG2-CG1 4.06Å; I105-V115 HydrophobicContact CG2-CG2 4.38Å; I108-V115 HydrophobicContact CB-CG2 4.14Å; I108-V115 HydrophobicContact CD1-CG1 4.29Å; I108-V115 HydrophobicContact CG2-CB 4.41Å; I108-V115 HydrophobicContact CG2-CG2 3.84Å; E109-V115 HydrophobicContact CG-CG2 3.69Å; V115-I135 HydrophobicContact CG1-CB 4.11Å; V115-I135 HydrophobicContact CG1-CG2 3.83Å; V115-D136 PolarHBondContact N-OD2 2.79Å; V115-D136 PolarHBondContact O-N 3.41Å; V115-V137 PolarHBondContact O-N 3.09Å
116G98.9Very high98.7Very high0 Ų050.4 Ų50.40%028%0.277CS..EExtended strand (participates in β ladder)trans-98.1137.5169.500000111.8Y91 T92 F93 V137Y91-G116 PolarHBondContact O-N 2.82Å; T92-G116 WeakPolarHBondContact CA-O 3.17Å; F93-G116 WeakPolarHBondContact CD1-O 3.37Å; F93-G116 PolarHBondContact N-O 3.4Å; F93-G116 VanDerWaalsContact N-O 3.08Å; G116-V137 CarbonylContact C-O 3.53Å; G116-V137 VanDerWaalsContact CA-O 3.3Å; G116-V137 WeakPolarHBondContact CA-O 3.36Å
117L98.9Very high98.6Very high0 Ų047.2 Ų47.20%027%0.271CS..EExtended strand (participates in β ladder)trans-122.4118.2170176.663.5000109.6F93 L95 V128 L131 I135 V137 L138 L139F93-L117 HydrophobicContact CD2-CD1 4.14Å; F93-L117 HydrophobicContact CE1-CD1 4.11Å; F93-L117 HydrophobicContact CE2-CD1 3.59Å; F93-L117 HydrophobicContact CZ-CD1 3.58Å; F93-L117 CarbonylContact O-C 3.59Å; L95-L117 HydrophobicContact CB-CD1 4.05Å; L95-L117 HydrophobicContact CD1-CD1 4.39Å; L117-V128 HydrophobicContact CD2-CB 3.9Å; L117-V128 HydrophobicContact CD2-CG1 3.7Å; L117-V128 HydrophobicContact CG-CG1 4.39Å; L117-L131 HydrophobicContact CD2-CB 4.08Å; L117-L131 HydrophobicContact CD2-CD1 4.08Å; L117-I135 HydrophobicContact CB-CD1 3.76Å; L117-I135 HydrophobicContact CB-CG2 3.98Å; L117-I135 HydrophobicContact CD2-CD1 4.26Å; L117-I135 HydrophobicContact CD2-CG2 4.41Å; L117-V137 PolarHBondContact N-O 2.99Å; L117-L138 CarbonylContact O-C 3.59Å; L117-L138 WeakPolarHBondContact O-CA 3.3Å; L117-L139 PolarHBondContact O-N 2.79Å
118A99Very high98.5Very high0 Ų043.8 Ų43.80%026%0.257CS..EExtended strand (participates in β ladder)trans-95.5147.6175.900000112T92 F93 H94 L95 L139T92-A118 HydrophobicContact CG2-CB 3.87Å; F93-A118 PolarHBondContact O-N 2.74Å; H94-A118 WeakPolarHBondContact CA-O 3.49Å; L95-A118 PolarHBondContact N-O 3.11Å; A118-L139 CarbonylContact C-O 3.56Å; A118-L139 VanDerWaalsContact CA-O 3.22Å; A118-L139 WeakPolarHBondContact CA-O 3.41Å; A118-L139 HydrophobicContact CB-CB 3.94Å; A118-L139 HydrophobicContact CB-CD2 3.94Å; A118-L139 HydrophobicContact CB-CG 4.02Å
119I98.9Very high98.4Very high0 Ų045.8 Ų45.80%027%0.268CS..EExtended strand (participates in β ladder)trans-130.7140.7167.958.2174.6000111L95 T123 I125 V128 L138 L139 V140 M141 K159L95-I119 HydrophobicContact CB-CG2 4.19Å; L95-I119 HydrophobicContact CD2-CG2 4.4Å; I119-T123 HydrophobicContact CB-CG2 4.22Å; I119-T123 HydrophobicContact CG2-CG2 4.11Å; I119-I125 HydrophobicContact CD1-CD1 4.12Å; I119-V128 HydrophobicContact CG2-CG1 3.55Å; I119-V128 HydrophobicContact CG2-CG2 4.47Å; I119-L138 HydrophobicContact CD1-CD1 4.49Å; I119-L138 HydrophobicContact CG1-CD1 4.46Å; I119-L139 PolarHBondContact N-O 3.49Å; I119-V140 HydrophobicContact CD1-CG2 4.46Å; I119-V140 HydrophobicContact CG1-CG2 4.44Å; I119-M141 WeakPolarHBondContact O-CB 3.41Å; I119-M141 PolarHBondContact O-N 2.96Å; I119-M141 VanDerWaalsContact O-N 3.07Å; I119-K159 HydrophobicContact CD1-CD 3.91Å
120K98.8Very high98.2Very high34 Ų3447.8 Ų47.815%0.14828%0.283CS..  trans-70.3163.9174.8-68.8-171.6174-151.20112.6F43 E96 A122 T123 E144 P145 K159F43-K120 HydrophobicContact CZ-CD 4.46Å; E96-K120 HydrophobicContact CG-CD 4.32Å; E96-K120 HydrophobicContact CG-CG 4.38Å; E96-K120 VanDerWaalsContact OE1-CB 3.32Å; E96-K120 WeakPolarHBondContact OE1-CB 3.44Å; E96-K120 PolarHBondContact OE1-N 3.03Å; K120-A122 PolarHBondContact O-N 3.35Å; K120-T123 PolarHBondContact O-N 2.83Å; K120-T123 VanDerWaalsContact O-N 3.14Å; K120-E144 WeakPolarHBondContact CD-OE1 3.29Å; K120-E144 IonicContact NZ-OE1 2.63Å; K120-E144 PolarHBondContact NZ-OE1 2.96Å; K120-P145 HydrophobicContact CD-CG 4.19Å; K120-P145 HydrophobicContact CG-CG 3.94Å; K120-K159 PolarHBondContact O-NZ 3.3Å
121P98.7Very high98.2Very high26 Ų2645.4 Ų45.417%0.16926%0.26CS..THydrogen-bonded Turntrans-55.5-32.8175-27.435.1000114.8V143 I153 T156 K159P121-V143 WeakPolarHBondContact CD-O 3.32Å; P121-V143 VanDerWaalsContact CG-C 3.4Å; P121-V143 WeakPolarHBondContact CG-O 3.49Å; P121-I153 HydrophobicContact CB-CD1 3.92Å; P121-I153 HydrophobicContact CG-CD1 3.95Å; P121-T156 HydrophobicContact CB-CG2 3.87Å; P121-T156 HydrophobicContact CG-CG2 4.39Å; P121-K159 WeakPolarHBondContact O-CE 3.49Å; P121-K159 PolarHBondContact O-NZ 3.26Å
122A98.3Very high98.1Very high93 Ų9342.9 Ų42.977%0.76925%0.248SC*.THydrogen-bonded Turntrans-80.8-19.3-179.500000114.4K120K120-A122 PolarHBondContact O-N 3.35Å
123T98.6Very high98Very high20 Ų2038.5 Ų38.512%0.12323%0.234CC..SBendtrans-83.3121.6-174.6-60.70000110.8L95 E96 I119 K120 K159L95-T123 HydrophobicContact CD2-CG2 3.94Å; E96-T123 WeakPolarHBondContact OE1-CB 3.33Å; E96-T123 PolarHBondContact OE1-OG1 3.16Å; I119-T123 HydrophobicContact CB-CG2 4.22Å; I119-T123 HydrophobicContact CG2-CG2 4.11Å; K120-T123 PolarHBondContact O-N 2.83Å; K120-T123 VanDerWaalsContact O-N 3.14Å; T123-K159 VanDerWaalsContact O-CE 3.25Å; T123-K159 WeakPolarHBondContact O-CE 3.47Å; T123-K159 PolarHBondContact O-NZ 3.42Å
124P98.1Very high98Very high65 Ų6541.8 Ų41.842%0.42225%0.25SC..  trans-71147.3-177.830.2-33.8000110.8S126 S127P124-S126 PolarHBondContact O-N 3.1Å; P124-S127 WeakPolarHBondContact CG-OG 3.32Å; P124-S127 WeakPolarHBondContact O-CB 3.3Å; P124-S127 PolarHBondContact O-N 2.71Å
125I98Very high97.9Very high6 Ų638 Ų383%0.03123%0.233CC..G310 helixtrans-60.4-28.4178.4-174.363.8000112.3I119 S127 V128 V129 L132 L138 K159 E162 A163I119-I125 HydrophobicContact CD1-CD1 4.12Å; I125-S127 PolarHBondContact O-N 2.82Å; I125-S127 VanDerWaalsContact O-N 3.11Å; I125-V128 HydrophobicContact CD1-CG2 3.65Å; I125-V128 VanDerWaalsContact O-CG2 3.26Å; I125-V128 WeakPolarHBondContact O-CG2 3.41Å; I125-V128 PolarHBondContact O-N 3.3Å; I125-V129 PolarHBondContact O-N 2.94Å; I125-L132 HydrophobicContact CD1-CD1 4.42Å; I125-L138 HydrophobicContact CD1-CD2 3.69Å; I125-K159 HydrophobicContact CB-CB 4.07Å; I125-K159 HydrophobicContact CB-CG 4.33Å; I125-E162 HydrophobicContact CG2-CB 4.04Å; I125-E162 HydrophobicContact CG2-CG 3.92Å; I125-E162 WeakPolarHBondContact CG2-OE2 3.38Å; I125-A163 HydrophobicContact CD1-CB 3.96Å; I125-A163 HydrophobicContact CG1-CB 4.31Å
126S97.6Very high97.9Very high82 Ų8240.6 Ų40.657%0.57325%0.248SC*.G310 helixtrans-57.7-23.4174.357.40000113.6P124 V128P124-S126 PolarHBondContact O-N 3.1Å; S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 PolarHBondContact O-N 2.94Å
127S97.8Very high97.9Very high63 Ų6340.9 Ų40.944%0.44125%0.249SC..G310 helixtrans-71.5-16.1177.3-65.50000114.1P124 I125P124-S127 WeakPolarHBondContact CG-OG 3.32Å; P124-S127 WeakPolarHBondContact O-CB 3.3Å; P124-S127 PolarHBondContact O-N 2.71Å; I125-S127 PolarHBondContact O-N 2.82Å; I125-S127 VanDerWaalsContact O-N 3.11Å
128V97Very high97.9Very high0 Ų040.9 Ų40.90%025%0.249CC..THydrogen-bonded Turntrans-117.7-2.6-177.9-61.70000114L95 L117 I119 I125 S126 D130 L131 L132 L138L95-V128 HydrophobicContact CB-CG1 4.39Å; L95-V128 HydrophobicContact CD1-CG1 4.13Å; L95-V128 HydrophobicContact CD2-CG1 3.49Å; L95-V128 VanDerWaalsContact CD2-CG1 3.49Å; L95-V128 HydrophobicContact CG-CG1 4.2Å; L117-V128 HydrophobicContact CD2-CB 3.9Å; L117-V128 HydrophobicContact CD2-CG1 3.7Å; L117-V128 HydrophobicContact CG-CG1 4.39Å; I119-V128 HydrophobicContact CG2-CG1 3.55Å; I119-V128 HydrophobicContact CG2-CG2 4.47Å; I125-V128 HydrophobicContact CD1-CG2 3.65Å; I125-V128 VanDerWaalsContact O-CG2 3.26Å; I125-V128 WeakPolarHBondContact O-CG2 3.41Å; I125-V128 PolarHBondContact O-N 3.3Å; S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 PolarHBondContact O-N 2.94Å; V128-D130 VanDerWaalsContact C-N 3.28Å; V128-D130 PolarHBondContact O-N 3.03Å; V128-L131 CarbonylContact O-C 3.59Å; V128-L131 WeakPolarHBondContact O-CA 3.44Å; V128-L131 WeakPolarHBondContact O-CB 3.38Å; V128-L131 PolarHBondContact O-N 3.2Å; V128-L132 HydrophobicContact CB-CD2 4.29Å; V128-L132 HydrophobicContact CG2-CD2 3.87Å; V128-L132 HydrophobicContact CG2-CG 4.28Å; V128-L132 WeakPolarHBondContact O-CG 3.1Å; V128-L132 PolarHBondContact O-N 3.42Å; V128-L132 VanDerWaalsContact O-N 3.11Å; V128-L138 HydrophobicContact CG2-CD1 4.29Å
129V95.4Very high97.9Very high41 Ų4140.9 Ų40.925%0.24825%0.249CC..G310 helixtrans-52.8-43.9-172.6170.60000112.6I125 L131 L132 L166 F167I125-V129 PolarHBondContact O-N 2.94Å; V129-L131 PolarHBondContact O-N 2.76Å; V129-L132 PolarHBondContact O-N 2.63Å; V129-L166 HydrophobicContact CG2-CD1 4.16Å; V129-F167 HydrophobicContact CG1-CE2 4.43Å
130D96.2Very high97.9Very high148 Ų14840.9 Ų40.979%0.79125%0.249SC*.G310 helixtrans-71.5-16-179.6-62.5-27.5000113.3V128V128-D130 VanDerWaalsContact C-N 3.28Å; V128-D130 PolarHBondContact O-N 3.03Å
131L97.6Very high97.9Very high21 Ų2139.4 Ų39.411%0.1124%0.243CC..G310 helixtrans-95.1-15.2176.7-60.5171.2000112.4L95 P101 M102 I105 L117 V128 V129 T133 E134L95-L131 HydrophobicContact CD1-CD1 3.83Å; P101-L131 HydrophobicContact CB-CD1 3.87Å; P101-L131 HydrophobicContact CG-CD1 3.72Å; P101-L131 HydrophobicContact CG-CD2 4.23Å; M102-L131 HydrophobicContact CG-CD2 4.12Å; M102-L131 HydrophobicContact SD-CD2 3.65Å; I105-L131 HydrophobicContact CD1-CD2 4.31Å; L117-L131 HydrophobicContact CD2-CB 4.08Å; L117-L131 HydrophobicContact CD2-CD1 4.08Å; V128-L131 CarbonylContact O-C 3.59Å; V128-L131 WeakPolarHBondContact O-CA 3.44Å; V128-L131 WeakPolarHBondContact O-CB 3.38Å; V128-L131 PolarHBondContact O-N 3.2Å; V129-L131 PolarHBondContact O-N 2.76Å; L131-T133 PolarHBondContact O-N 2.89Å; L131-T133 VanDerWaalsContact O-N 3.13Å; L131-E134 WeakPolarHBondContact O-CB 3.45Å; L131-E134 PolarHBondContact O-N 2.79Å
132L96.7Very high97.9Very high4 Ų438.2 Ų38.22%0.02124%0.235CC..THydrogen-bonded Turntrans-66.3-17.3-173.2-67.1-173.6000113.7I125 V128 V129 I135 L138 F167 L170I125-L132 HydrophobicContact CD1-CD1 4.42Å; V128-L132 HydrophobicContact CB-CD2 4.29Å; V128-L132 HydrophobicContact CG2-CD2 3.87Å; V128-L132 HydrophobicContact CG2-CG 4.28Å; V128-L132 WeakPolarHBondContact O-CG 3.1Å; V128-L132 PolarHBondContact O-N 3.42Å; V128-L132 VanDerWaalsContact O-N 3.11Å; V129-L132 PolarHBondContact O-N 2.63Å; L132-I135 HydrophobicContact CD2-CD1 3.61Å; L132-I135 HydrophobicContact CD2-CG1 4.49Å; L132-L138 HydrophobicContact CD2-CB 4.36Å; L132-L138 HydrophobicContact CD2-CD1 4.08Å; L132-L138 HydrophobicContact CD2-CD2 4.2Å; L132-L138 HydrophobicContact CD2-CG 4.44Å; L132-F167 HydrophobicContact CB-CD1 4.29Å; L132-F167 HydrophobicContact CB-CD2 3.83Å; L132-F167 HydrophobicContact CB-CE1 4.09Å; L132-F167 HydrophobicContact CB-CE2 3.61Å; L132-F167 HydrophobicContact CB-CG 4.18Å; L132-F167 HydrophobicContact CB-CZ 3.74Å; L132-F167 HydrophobicContact CD1-CD2 3.43Å; L132-F167 VanDerWaalsContact CD1-CD2 3.43Å; L132-F167 HydrophobicContact CD1-CE2 3.44Å; L132-F167 VanDerWaalsContact CD1-CE2 3.44Å; L132-F167 HydrophobicContact CD1-CG 4.4Å; L132-F167 HydrophobicContact CD1-CZ 4.39Å; L132-F167 HydrophobicContact CG-CD2 4.25Å; L132-F167 HydrophobicContact CG-CE2 4.07Å; L132-L170 HydrophobicContact CB-CD2 4.36Å; L132-L170 HydrophobicContact CD1-CD2 4.31Å; L132-L170 HydrophobicContact CD2-CD2 4Å; L132-L170 HydrophobicContact CG-CD2 4.44Å
133T96.8Very high97.9Very high96 Ų9634 Ų3459%0.58920%0.2SC*.THydrogen-bonded Turntrans-82.2-13.9171.853.50000113.8L131 F167L131-T133 PolarHBondContact O-N 2.89Å; L131-T133 VanDerWaalsContact O-N 3.13Å; T133-F167 HydrophobicContact CG2-CD1 4.46Å; T133-F167 HydrophobicContact CG2-CE1 3.64Å; T133-F167 HydrophobicContact CG2-CZ 4.43Å
134E98.1Very high97.9Very high81 Ų8136.9 Ų36.938%0.37921%0.212SC..SBendtrans-103.94.1-173.7-51-60.4130.700112.4M102 I105 L131M102-E134 HydrophobicContact CE-CB 4.41Å; M102-E134 HydrophobicContact CE-CG 4.09Å; M102-E134 HydrophobicContact SD-CB 4.31Å; M102-E134 HydrophobicContact SD-CG 4.04Å; I105-E134 HydrophobicContact CD1-CB 4.13Å; I105-E134 HydrophobicContact CG2-CB 4.4Å; I105-E134 WeakPolarHBondContact CG2-O 3.37Å; L131-E134 WeakPolarHBondContact O-CB 3.45Å; L131-E134 PolarHBondContact O-N 2.79Å
135I98.6Very high97.8Very high16 Ų1634.1 Ų34.18%0.08219%0.194CC..  trans-125.1157.2-176.469.5176.1000111I105 V115 L117 L132 L138 L170I105-I135 HydrophobicContact CD1-CG2 3.99Å; I105-I135 HydrophobicContact CG1-CG2 4.4Å; V115-I135 HydrophobicContact CG1-CB 4.11Å; V115-I135 HydrophobicContact CG1-CG2 3.83Å; L117-I135 HydrophobicContact CB-CD1 3.76Å; L117-I135 HydrophobicContact CB-CG2 3.98Å; L117-I135 HydrophobicContact CD2-CD1 4.26Å; L117-I135 HydrophobicContact CD2-CG2 4.41Å; L132-I135 HydrophobicContact CD2-CD1 3.61Å; L132-I135 HydrophobicContact CD2-CG1 4.49Å; I135-L138 HydrophobicContact CD1-CB 4.14Å; I135-L170 HydrophobicContact CD1-CD1 4.47Å; I135-L170 HydrophobicContact CG1-CD1 4.08Å
136D98.5Very high97.7Very high57 Ų5733.9 Ų33.931%0.30519%0.193SC..SBendtrans-89.2-39.5172.6-65.8-80.6000111.8K114 V115 E171K114-D136 WeakPolarHBondContact CA-OD2 3.36Å; K114-D136 HydrophobicContact CB-CB 4.27Å; K114-D136 HydrophobicContact CD-CB 3.81Å; K114-D136 VanDerWaalsContact CD-OD1 3.3Å; K114-D136 WeakPolarHBondContact CD-OD1 3.28Å; K114-D136 WeakPolarHBondContact CD-OD2 3.33Å; K114-D136 IonicContact NZ-OD1 3.63Å; K114-D136 PolarHBondContact NZ-OD1 2.95Å; K114-D136 IonicContact NZ-OD2 3.15Å; V115-D136 PolarHBondContact N-OD2 2.79Å; V115-D136 PolarHBondContact O-N 3.41Å; D136-E171 WeakPolarHBondContact O-CB 3.49Å
137V98.8Very high97.5Very high6 Ų635.2 Ų35.24%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-133.5128.3-173-172.50000111.1Q90 V115 G116 L117 E171 E173 M193Q90-V137 VanDerWaalsContact OE1-CG2 3.28Å; V115-V137 PolarHBondContact O-N 3.09Å; G116-V137 CarbonylContact C-O 3.53Å; G116-V137 VanDerWaalsContact CA-O 3.3Å; G116-V137 WeakPolarHBondContact CA-O 3.36Å; L117-V137 PolarHBondContact N-O 2.99Å; V137-E171 WeakPolarHBondContact CA-O 3.21Å; V137-E171 HydrophobicContact CG2-CB 4.06Å; V137-E171 HydrophobicContact CG2-CG 4.27Å; V137-E173 HydrophobicContact CG1-CB 3.71Å; V137-M193 HydrophobicContact CG1-SD 4.01Å; V137-M193 HydrophobicContact CG2-SD 4.13Å
138L98.8Very high97.1Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-94.8117.5165.4172.368.6000109.2L117 I119 I125 V128 L132 I135 V140 A163 L170 E171 I172 E173L117-L138 CarbonylContact O-C 3.59Å; L117-L138 WeakPolarHBondContact O-CA 3.3Å; I119-L138 HydrophobicContact CD1-CD1 4.49Å; I119-L138 HydrophobicContact CG1-CD1 4.46Å; I125-L138 HydrophobicContact CD1-CD2 3.69Å; V128-L138 HydrophobicContact CG2-CD1 4.29Å; L132-L138 HydrophobicContact CD2-CB 4.36Å; L132-L138 HydrophobicContact CD2-CD1 4.08Å; L132-L138 HydrophobicContact CD2-CD2 4.2Å; L132-L138 HydrophobicContact CD2-CG 4.44Å; I135-L138 HydrophobicContact CD1-CB 4.14Å; L138-V140 HydrophobicContact CD2-CG2 4.11Å; L138-V140 HydrophobicContact CG-CG2 4.11Å; L138-A163 HydrophobicContact CD2-CB 3.56Å; L138-L170 HydrophobicContact CB-CD2 3.89Å; L138-L170 HydrophobicContact CB-CG 4.49Å; L138-L170 HydrophobicContact CD2-CD2 4.44Å; L138-E171 PolarHBondContact N-O 3.13Å; L138-I172 CarbonylContact O-C 3.56Å; L138-I172 WeakPolarHBondContact O-CA 3.33Å; L138-E173 PolarHBondContact O-N 3.29Å
139L98.9Very high96.6Very high0 Ų036.7 Ų36.70%021%0.214CC..EExtended strand (participates in β ladder)trans-92.7116.8169.9171.958.6000110.4T92 L117 A118 I119 M141 E173 D175T92-L139 HydrophobicContact CG2-CB 3.76Å; T92-L139 HydrophobicContact CG2-CD2 3.82Å; T92-L139 HydrophobicContact CG2-CG 4.43Å; L117-L139 PolarHBondContact O-N 2.79Å; A118-L139 CarbonylContact C-O 3.56Å; A118-L139 VanDerWaalsContact CA-O 3.22Å; A118-L139 WeakPolarHBondContact CA-O 3.41Å; A118-L139 HydrophobicContact CB-CB 3.94Å; A118-L139 HydrophobicContact CB-CD2 3.94Å; A118-L139 HydrophobicContact CB-CG 4.02Å; I119-L139 PolarHBondContact N-O 3.49Å; L139-M141 HydrophobicContact CD1-SD 4.34Å; L139-M141 HydrophobicContact CD2-SD 3.97Å; L139-M141 HydrophobicContact CG-SD 4.12Å; L139-E173 WeakPolarHBondContact CA-O 3.44Å; L139-E173 HydrophobicContact CB-CB 4.29Å; L139-E173 HydrophobicContact CD1-CB 3.96Å; L139-E173 HydrophobicContact CD1-CG 3.7Å; L139-D175 HydrophobicContact CD1-CB 3.82Å
140V98.9Very high96.5Very high0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-97.8110170.3-178.90000108.8I119 L138 T142 K159 V160 E173 I174 D175I119-V140 HydrophobicContact CD1-CG2 4.46Å; I119-V140 HydrophobicContact CG1-CG2 4.44Å; L138-V140 HydrophobicContact CD2-CG2 4.11Å; L138-V140 HydrophobicContact CG-CG2 4.11Å; V140-T142 PolarHBondContact O-N 2.61Å; V140-K159 HydrophobicContact CG1-CB 4.39Å; V140-K159 HydrophobicContact CG1-CD 4.23Å; V140-V160 HydrophobicContact CB-CG2 4.04Å; V140-V160 HydrophobicContact CG1-CG2 4.24Å; V140-V160 HydrophobicContact CG2-CG2 3.9Å; V140-E173 PolarHBondContact N-O 2.99Å; V140-I174 HydrophobicContact CB-CG2 4.38Å; V140-I174 WeakPolarHBondContact O-CA 3.45Å; V140-D175 PolarHBondContact O-N 3.15Å
141M98.8Very high96.5Very high3 Ų338.3 Ų38.32%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-67.8119.7169.5-65.8-53.4-58.900109.6H70 I119 L139 V143 P145 D175H70-M141 PolarHBondContact CE1-SD 2.99Å; I119-M141 WeakPolarHBondContact O-CB 3.41Å; I119-M141 PolarHBondContact O-N 2.96Å; I119-M141 VanDerWaalsContact O-N 3.07Å; L139-M141 HydrophobicContact CD1-SD 4.34Å; L139-M141 HydrophobicContact CD2-SD 3.97Å; L139-M141 HydrophobicContact CG-SD 4.12Å; M141-V143 WeakPolarHBondContact CB-O 3.41Å; M141-V143 HydrophobicContact CE-CG2 4.49Å; M141-P145 HydrophobicContact CE-CB 4.1Å; M141-D175 WeakPolarHBondContact CA-O 3.16Å; M141-D175 HydrophobicContact CE-CB 4.12Å; M141-D175 WeakPolarHBondContact CE-OD2 3.32Å; M141-D175 HydrophobicContact SD-CB 4.01Å
142T98.5Very high96.5Very high0 Ų038.3 Ų38.30%021%0.214CC..SBendtrans-92.9-0.3178.652.10000112.4V140 L152 I153 T156 I174 D175 G176V140-T142 PolarHBondContact O-N 2.61Å; T142-L152 HydrophobicContact CG2-CD1 4.09Å; T142-L152 HydrophobicContact CG2-CG 4.41Å; T142-I153 WeakPolarHBondContact O-CB 3.44Å; T142-I153 WeakPolarHBondContact O-CG1 3.41Å; T142-I153 PolarHBondContact O-N 3.36Å; T142-T156 WeakPolarHBondContact CG2-OG1 3.33Å; T142-I174 HydrophobicContact CG2-CB 4.17Å; T142-I174 HydrophobicContact CG2-CG2 4.31Å; T142-D175 PolarHBondContact N-O 3.38Å; T142-D175 VanDerWaalsContact OG1-C 3.24Å; T142-D175 PolarHBondContact OG1-O 3.02Å; T142-G176 VanDerWaalsContact OG1-C 3.28Å; T142-G176 VanDerWaalsContact OG1-CA 3.29Å; T142-G176 WeakPolarHBondContact OG1-CA 3.37Å; T142-G176 PolarHBondContact OG1-N 3.26Å; T142-G176 PolarHBondContact OG1-O 3.39Å
143V98.1Very high96.6Very high5 Ų541.4 Ų41.43%0.0323%0.23CC..SBendtrans-140.4167.1170.8-570000109.2P121 M141 P145 Q150 Q151 G176P121-V143 WeakPolarHBondContact CD-O 3.32Å; P121-V143 VanDerWaalsContact CG-C 3.4Å; P121-V143 WeakPolarHBondContact CG-O 3.49Å; M141-V143 WeakPolarHBondContact CB-O 3.41Å; M141-V143 HydrophobicContact CE-CG2 4.49Å; V143-P145 WeakPolarHBondContact O-CD 3.4Å; V143-Q150 HydrophobicContact CB-CB 3.8Å; V143-Q150 HydrophobicContact CG1-CB 3.63Å; V143-Q150 HydrophobicContact CG2-CB 4.13Å; V143-Q151 VanDerWaalsContact CG1-O 3.31Å; V143-Q151 WeakPolarHBondContact CG1-O 3.49Å; V143-G176 VanDerWaalsContact CG2-CA 3.49Å
144E97.8Very high96.6Very high81 Ų8141 Ų4138%0.37923%0.229SC..  trans-67.6125.1173.3-174.160.8-15400109.1K120 Q150K120-E144 WeakPolarHBondContact CD-OE1 3.29Å; K120-E144 IonicContact NZ-OE1 2.63Å; K120-E144 PolarHBondContact NZ-OE1 2.96Å; E144-Q150 PolarHBondContact O-NE2 3.36Å
145P97.8Very high96.6Very high6 Ų640.6 Ų40.64%0.03924%0.24CC..THydrogen-bonded Turntrans-60.9152.9-178.123.5-35000112.5V44 M72 K120 M141 V143V44-P145 HydrophobicContact CG1-CB 3.96Å; V44-P145 HydrophobicContact CG1-CG 4.17Å; V44-P145 WeakPolarHBondContact CG1-O 3.47Å; M72-P145 HydrophobicContact CG-CB 4.06Å; M72-P145 HydrophobicContact SD-CB 3.48Å; M72-P145 WeakPolarHBondContact SD-CB 3.37Å; K120-P145 HydrophobicContact CD-CG 4.19Å; K120-P145 HydrophobicContact CG-CG 3.94Å; M141-P145 HydrophobicContact CE-CB 4.1Å; V143-P145 WeakPolarHBondContact O-CD 3.4Å
146G94.9Very high96.6Very high2 Ų239.9 Ų39.92%0.02124%0.236CC..THydrogen-bonded Turntrans122.6-25.3175.200000114.7M39 N46M39-G146 WeakPolarHBondContact CE-O 3.3Å; M39-G146 VanDerWaalsContact SD-O 3.34Å; N46-G146 WeakPolarHBondContact CB-O 3.06Å; N46-G146 PolarHBondContact ND2-O 3.2Å
147F93.4Very high96.6Very high109 Ų10937.3 Ų37.348%0.47822%0.222SC..  trans-142.4139.7179.6-58.3-77.2000113.2P45 N46 Q150P45-F147 HydrophobicContact CG-CE2 3.79Å; P45-F147 HydrophobicContact CG-CZ 4.15Å; P45-F147 WeakPolarHBondContact O-CZ 3.46Å; N46-F147 HydrophobicContact CB-CD1 4.43Å; N46-F147 HydrophobicContact CB-CE1 3.84Å; N46-F147 HydrophobicContact CB-CZ 4.05Å; F147-Q150 PolarHBondContact O-NE2 2.98Å
148G88.6Confident96.6Very high40 Ų4042.3 Ų42.341%0.41225%0.245SC..SBendtrans-80.5170.3171.200000113.3Q150G148-Q150 VanDerWaalsContact C-N 3.35Å
149G87.4Confident96.6Very high55 Ų5543.3 Ų43.357%0.56725%0.25SC*.SBendtrans836.7175.100000115.4
150Q93.8Very high96.6Very high66 Ų6643.3 Ų43.331%0.30825%0.25SC..PPolyproline II helixtrans-78.5161.6174.8-63.8-177.277.400111.7V143 E144 F147 G148 G177V143-Q150 HydrophobicContact CB-CB 3.8Å; V143-Q150 HydrophobicContact CG1-CB 3.63Å; V143-Q150 HydrophobicContact CG2-CB 4.13Å; E144-Q150 PolarHBondContact O-NE2 3.36Å; F147-Q150 PolarHBondContact O-NE2 2.98Å; G148-Q150 VanDerWaalsContact C-N 3.35Å; Q150-G177 WeakPolarHBondContact O-CA 3.35Å
151Q95.5Very high96.5Very high157 Ų15747 Ų4773%0.73426%0.264SS*.PPolyproline II helixtrans-93.4136.6177-63.7-59.8-4100110.7V143 I153V143-Q151 VanDerWaalsContact CG1-O 3.31Å; V143-Q151 WeakPolarHBondContact CG1-O 3.49Å; Q151-I153 PolarHBondContact O-N 2.88Å
152L98.1Very high96.5Very high20 Ų2050.5 Ų50.511%0.10528%0.28CS..PPolyproline II helixtrans-52.8132.2176.6177.1144.7000111.3T142 P154 L157 V178T142-L152 HydrophobicContact CG2-CD1 4.09Å; T142-L152 HydrophobicContact CG2-CG 4.41Å; L152-P154 HydrophobicContact CD2-CB 4.45Å; L152-P154 HydrophobicContact CD2-CG 4.24Å; L152-P154 VanDerWaalsContact O-CD 3.3Å; L152-P154 WeakPolarHBondContact O-CD 3.4Å; L152-L157 HydrophobicContact CD2-CD1 4.31Å; L152-V178 HydrophobicContact CD1-CG2 4.11Å
153I98.3Very high96.4Very high70 Ų7050.5 Ų50.536%0.35928%0.28SS..  trans-88.6105.6174.6-59.4167.6000108.3P121 T142 Q151 A155 T156P121-I153 HydrophobicContact CB-CD1 3.92Å; P121-I153 HydrophobicContact CG-CD1 3.95Å; T142-I153 WeakPolarHBondContact O-CB 3.44Å; T142-I153 WeakPolarHBondContact O-CG1 3.41Å; T142-I153 PolarHBondContact O-N 3.36Å; Q151-I153 PolarHBondContact O-N 2.88Å; I153-A155 HydrophobicContact CG2-CB 4.48Å; I153-A155 PolarHBondContact O-N 3.47Å; I153-A155 VanDerWaalsContact O-N 3.08Å; I153-T156 HydrophobicContact CB-CG2 4.03Å; I153-T156 HydrophobicContact CG2-CG2 4.15Å; I153-T156 WeakPolarHBondContact O-CB 3.48Å; I153-T156 PolarHBondContact O-N 3.27Å; I153-T156 PolarHBondContact O-OG1 3.48Å
154P97.8Very high96.3Very high87 Ų8750.7 Ų50.757%0.56528%0.28SS*.THydrogen-bonded Turntrans-59.7-30.4-169-27.237.1000114.8L152 T156 L157L152-P154 HydrophobicContact CD2-CB 4.45Å; L152-P154 HydrophobicContact CD2-CG 4.24Å; L152-P154 VanDerWaalsContact O-CD 3.3Å; L152-P154 WeakPolarHBondContact O-CD 3.4Å; P154-T156 PolarHBondContact O-N 3.46Å; P154-L157 WeakPolarHBondContact O-CB 3.28Å; P154-L157 PolarHBondContact O-N 2.87Å; P154-L157 VanDerWaalsContact O-N 3.09Å
155A97.9Very high96.1Very high72 Ų7254.9 Ų54.960%0.59529%0.292SS*.THydrogen-bonded Turntrans-61.8-23.9178.700000113.5I153 L157 E158I153-A155 HydrophobicContact CG2-CB 4.48Å; I153-A155 PolarHBondContact O-N 3.47Å; I153-A155 VanDerWaalsContact O-N 3.08Å; A155-L157 PolarHBondContact O-N 3.24Å; A155-E158 PolarHBondContact O-N 2.83Å
156T98.7Very high95.9Very high2 Ų257.5 Ų57.51%0.01231%0.306CS..Hα-helixtrans-66.8-25.1176.660.20000112.5P121 T142 I153 P154 E158 K159P121-T156 HydrophobicContact CB-CG2 3.87Å; P121-T156 HydrophobicContact CG-CG2 4.39Å; T142-T156 WeakPolarHBondContact CG2-OG1 3.33Å; I153-T156 HydrophobicContact CB-CG2 4.03Å; I153-T156 HydrophobicContact CG2-CG2 4.15Å; I153-T156 WeakPolarHBondContact O-CB 3.48Å; I153-T156 PolarHBondContact O-N 3.27Å; I153-T156 PolarHBondContact O-OG1 3.48Å; P154-T156 PolarHBondContact O-N 3.46Å; T156-E158 PolarHBondContact O-N 2.97Å; T156-K159 VanDerWaalsContact O-CB 3.27Å; T156-K159 WeakPolarHBondContact O-CB 3.48Å; T156-K159 PolarHBondContact O-N 3.03Å; T156-K159 VanDerWaalsContact O-N 3.09Å
157L98.7Very high95.9Very high3 Ų359.6 Ų59.62%0.01631%0.314CS..Hα-helixtrans-67.8-21176.8-61.3-178.1000112.9L152 P154 A155 K159 V160 R161 Q185 A189L152-L157 HydrophobicContact CD2-CD1 4.31Å; P154-L157 WeakPolarHBondContact O-CB 3.28Å; P154-L157 PolarHBondContact O-N 2.87Å; P154-L157 VanDerWaalsContact O-N 3.09Å; A155-L157 PolarHBondContact O-N 3.24Å; L157-K159 PolarHBondContact O-N 3.37Å; L157-V160 WeakPolarHBondContact O-CB 3.49Å; L157-V160 PolarHBondContact O-N 3.36Å; L157-R161 VanDerWaalsContact C-NH1 3.35Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 2.64Å; L157-R161 PolarHBondContact O-NH1 3.36Å; L157-Q185 HydrophobicContact CD1-CB 3.96Å; L157-A189 HydrophobicContact CB-CB 3.98Å; L157-A189 HydrophobicContact CD2-CB 4.26Å
158E98.5Very high95.8Very high111 Ų11156.8 Ų56.852%0.51931%0.307SS..Hα-helixtrans-64.1-33.2171.8-62.9-52.2144.400111.7A155 T156 V160 R161 E162A155-E158 PolarHBondContact O-N 2.83Å; T156-E158 PolarHBondContact O-N 2.97Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-R161 PolarHBondContact O-N 2.59Å; E158-R161 IonicContact OE1-CZ 3.39Å; E158-R161 IonicContact OE1-NH1 2.68Å; E158-R161 PolarHBondContact OE1-NH1 2.82Å; E158-R161 IonicContact OE2-NH1 2.82Å; E158-R161 PolarHBondContact OE2-NH1 3.29Å; E158-E162 WeakPolarHBondContact O-CB 3.37Å; E158-E162 PolarHBondContact O-N 2.81Å
159K98.6Very high95.9Very high20 Ų2064.8 Ų64.89%0.08733%0.325CS..Hα-helixtrans-64.5-41.8175-53.8179.8-171-175.90111.4I119 K120 P121 T123 I125 V140 T156 L157 E162 A163I119-K159 HydrophobicContact CD1-CD 3.91Å; K120-K159 PolarHBondContact O-NZ 3.3Å; P121-K159 WeakPolarHBondContact O-CE 3.49Å; P121-K159 PolarHBondContact O-NZ 3.26Å; T123-K159 VanDerWaalsContact O-CE 3.25Å; T123-K159 WeakPolarHBondContact O-CE 3.47Å; T123-K159 PolarHBondContact O-NZ 3.42Å; I125-K159 HydrophobicContact CB-CB 4.07Å; I125-K159 HydrophobicContact CB-CG 4.33Å; V140-K159 HydrophobicContact CG1-CB 4.39Å; V140-K159 HydrophobicContact CG1-CD 4.23Å; T156-K159 VanDerWaalsContact O-CB 3.27Å; T156-K159 WeakPolarHBondContact O-CB 3.48Å; T156-K159 PolarHBondContact O-N 3.03Å; T156-K159 VanDerWaalsContact O-N 3.09Å; L157-K159 PolarHBondContact O-N 3.37Å; K159-E162 PolarHBondContact O-N 3.27Å; K159-A163 VanDerWaalsContact O-CB 3.28Å; K159-A163 WeakPolarHBondContact O-CB 3.29Å; K159-A163 PolarHBondContact O-N 3.18Å
160V98.5Very high96.2Very high0 Ų062.8 Ų62.80%030%0.301CS..Hα-helixtrans-62.1-45175.8178.20000110.2V140 L157 E158 E162 A163 R164 I172 I174 A189 A191V140-V160 HydrophobicContact CB-CG2 4.04Å; V140-V160 HydrophobicContact CG1-CG2 4.24Å; V140-V160 HydrophobicContact CG2-CG2 3.9Å; L157-V160 WeakPolarHBondContact O-CB 3.49Å; L157-V160 PolarHBondContact O-N 3.36Å; E158-V160 VanDerWaalsContact C-N 3.35Å; V160-E162 PolarHBondContact O-N 3.35Å; V160-A163 PolarHBondContact O-N 3.09Å; V160-R164 VanDerWaalsContact O-CB 3.28Å; V160-R164 WeakPolarHBondContact O-CB 3.35Å; V160-R164 PolarHBondContact O-N 3.19Å; V160-I172 HydrophobicContact CG1-CG2 3.95Å; V160-I172 HydrophobicContact CG2-CG2 4.24Å; V160-I174 HydrophobicContact CG2-CG2 3.87Å; V160-A189 HydrophobicContact CB-CB 3.92Å; V160-A189 HydrophobicContact CG1-CB 3.74Å; V160-A191 HydrophobicContact CG1-CB 4.08Å
161R97.9Very high96.4Very high78 Ų7862 Ų6229%0.29430%0.297SS..Hα-helixtrans-61-45.1177.2-70.6-175.7-164.295-7.3112.1L157 E158 R165 A189L157-R161 VanDerWaalsContact C-NH1 3.35Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 2.64Å; L157-R161 PolarHBondContact O-NH1 3.36Å; E158-R161 PolarHBondContact O-N 2.59Å; E158-R161 IonicContact OE1-CZ 3.39Å; E158-R161 IonicContact OE1-NH1 2.68Å; E158-R161 PolarHBondContact OE1-NH1 2.82Å; E158-R161 IonicContact OE2-NH1 2.82Å; E158-R161 PolarHBondContact OE2-NH1 3.29Å; R161-R165 WeakPolarHBondContact O-CB 3.35Å; R161-R165 PolarHBondContact O-N 3.27Å; R161-A189 VanDerWaalsContact CA-O 3.32Å; R161-A189 WeakPolarHBondContact CA-O 3.5Å; R161-A189 HydrophobicContact CG-CB 3.87Å; R161-A189 PolarHBondContact N-O 3.07Å
162E97.8Very high96.5Very high77 Ų7754.5 Ų54.536%0.3626%0.263SS..Hα-helixtrans-66.6-46.8179.5-175.7166-173.500111.7I125 E158 K159 V160 R164 R165 L166I125-E162 HydrophobicContact CG2-CB 4.04Å; I125-E162 HydrophobicContact CG2-CG 3.92Å; I125-E162 WeakPolarHBondContact CG2-OE2 3.38Å; E158-E162 WeakPolarHBondContact O-CB 3.37Å; E158-E162 PolarHBondContact O-N 2.81Å; K159-E162 PolarHBondContact O-N 3.27Å; V160-E162 PolarHBondContact O-N 3.35Å; E162-R164 PolarHBondContact O-N 3.02Å; E162-R165 PolarHBondContact O-N 3.23Å; E162-L166 HydrophobicContact CG-CD1 3.93Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 WeakPolarHBondContact O-CG 3.31Å; E162-L166 PolarHBondContact O-N 3.2Å
163A97Very high96.6Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-58.2-48175.400000111.6I125 L138 K159 V160 R165 L166 F167 I172I125-A163 HydrophobicContact CD1-CB 3.96Å; I125-A163 HydrophobicContact CG1-CB 4.31Å; L138-A163 HydrophobicContact CD2-CB 3.56Å; K159-A163 VanDerWaalsContact O-CB 3.28Å; K159-A163 WeakPolarHBondContact O-CB 3.29Å; K159-A163 PolarHBondContact O-N 3.18Å; V160-A163 PolarHBondContact O-N 3.09Å; A163-R165 VanDerWaalsContact C-N 3.3Å; A163-R165 PolarHBondContact O-N 3.08Å; A163-L166 PolarHBondContact O-N 2.63Å; A163-F167 PolarHBondContact O-N 3Å; A163-I172 HydrophobicContact CB-CD1 3.9Å
164R94.9Very high96.6Very high8 Ų850.2 Ų50.23%0.0324%0.24CC..Hα-helixtrans-62.5-35.9177.6179.358.465.6-152.8-10.3112.4V160 E162 F167 P168 L170 I172 G190 T192 Y225V160-R164 VanDerWaalsContact O-CB 3.28Å; V160-R164 WeakPolarHBondContact O-CB 3.35Å; V160-R164 PolarHBondContact O-N 3.19Å; E162-R164 PolarHBondContact O-N 3.02Å; R164-F167 CarbonylContact O-C 3.6Å; R164-P168 PolarHBondContact NH1-O 3.34Å; R164-P168 VanDerWaalsContact O-CA 3.32Å; R164-P168 WeakPolarHBondContact O-CA 3.3Å; R164-L170 PolarHBondContact NH1-O 3.41Å; R164-L170 PolarHBondContact NH2-O 2.94Å; R164-I172 HydrophobicContact CB-CD1 3.83Å; R164-G190 PolarHBondContact NE-O 3.08Å; R164-G190 PolarHBondContact NH2-O 3.38Å; R164-T192 VanDerWaalsContact NH2-CG2 3.28Å; R164-Y225 HydrophobicContact CG-CD1 3.83Å; R164-Y225 HydrophobicContact CG-CE1 3.3Å
165R94.5Very high96.6Very high169 Ų16947 Ų4764%0.63822%0.219SC*.Hα-helixtrans-67.8-43.1176.8-175-17265.776.6-0.5111.7R161 E162 A163R161-R165 WeakPolarHBondContact O-CB 3.35Å; R161-R165 PolarHBondContact O-N 3.27Å; E162-R165 PolarHBondContact O-N 3.23Å; A163-R165 VanDerWaalsContact C-N 3.3Å; A163-R165 PolarHBondContact O-N 3.08Å
166L94Very high96.6Very high62 Ų6243.9 Ų43.933%0.32519%0.193SC..Hα-helixtrans-75.9-37.8-178.5-68.8172.8000112.1V129 E162 A163 P168V129-L166 HydrophobicContact CG2-CD1 4.16Å; E162-L166 HydrophobicContact CG-CD1 3.93Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 WeakPolarHBondContact O-CG 3.31Å; E162-L166 PolarHBondContact O-N 3.2Å; A163-L166 PolarHBondContact O-N 2.63Å; L166-P168 WeakPolarHBondContact O-CD 3.48Å
167F93.7Very high96.5Very high45 Ų4545.2 Ų45.220%0.19721%0.207CC..  trans-128.678.4-175.8-59.3-86.9000110.4V129 L132 T133 A163 R164 R169 L170V129-F167 HydrophobicContact CG1-CE2 4.43Å; L132-F167 HydrophobicContact CB-CD1 4.29Å; L132-F167 HydrophobicContact CB-CD2 3.83Å; L132-F167 HydrophobicContact CB-CE1 4.09Å; L132-F167 HydrophobicContact CB-CE2 3.61Å; L132-F167 HydrophobicContact CB-CG 4.18Å; L132-F167 HydrophobicContact CB-CZ 3.74Å; L132-F167 HydrophobicContact CD1-CD2 3.43Å; L132-F167 VanDerWaalsContact CD1-CD2 3.43Å; L132-F167 HydrophobicContact CD1-CE2 3.44Å; L132-F167 VanDerWaalsContact CD1-CE2 3.44Å; L132-F167 HydrophobicContact CD1-CG 4.4Å; L132-F167 HydrophobicContact CD1-CZ 4.39Å; L132-F167 HydrophobicContact CG-CD2 4.25Å; L132-F167 HydrophobicContact CG-CE2 4.07Å; T133-F167 HydrophobicContact CG2-CD1 4.46Å; T133-F167 HydrophobicContact CG2-CE1 3.64Å; T133-F167 HydrophobicContact CG2-CZ 4.43Å; A163-F167 PolarHBondContact O-N 3Å; R164-F167 CarbonylContact O-C 3.6Å; F167-R169 PolarHBondContact O-N 3.02Å; F167-L170 HydrophobicContact CB-CB 3.71Å; F167-L170 HydrophobicContact CB-CD2 4.21Å; F167-L170 WeakPolarHBondContact O-CB 3.26Å; F167-L170 PolarHBondContact O-N 3.41Å; F167-L170 VanDerWaalsContact O-N 3.09Å
168P92Very high96.4Very high50 Ų5045.1 Ų45.133%0.32521%0.207SC..THydrogen-bonded Turntrans-58.5-20.4-172.6-27.636.1000115.4R164 L166 Y229R164-P168 PolarHBondContact NH1-O 3.34Å; R164-P168 VanDerWaalsContact O-CA 3.32Å; R164-P168 WeakPolarHBondContact O-CA 3.3Å; L166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-Y229 WeakPolarHBondContact CB-OH 3.27Å; P168-Y229 VanDerWaalsContact CG-OH 3.31Å; P168-Y229 WeakPolarHBondContact CG-OH 3.46Å
169R90Very high96.4Very high208 Ų20840 Ų4079%0.78518%0.184SC*.THydrogen-bonded Turntrans-107.2-3.7-177-59.5-176-175176.42114.3F167F167-R169 PolarHBondContact O-N 3.02Å
170L95Very high96.3Very high14 Ų1441.4 Ų41.47%0.07320%0.195CC..SBendtrans-66.1138.4178.6178.764.8000109.8L132 I135 L138 R164 F167 I172L132-L170 HydrophobicContact CB-CD2 4.36Å; L132-L170 HydrophobicContact CD1-CD2 4.31Å; L132-L170 HydrophobicContact CD2-CD2 4Å; L132-L170 HydrophobicContact CG-CD2 4.44Å; I135-L170 HydrophobicContact CD1-CD1 4.47Å; I135-L170 HydrophobicContact CG1-CD1 4.08Å; L138-L170 HydrophobicContact CB-CD2 3.89Å; L138-L170 HydrophobicContact CB-CG 4.49Å; L138-L170 HydrophobicContact CD2-CD2 4.44Å; R164-L170 PolarHBondContact NH1-O 3.41Å; R164-L170 PolarHBondContact NH2-O 2.94Å; F167-L170 HydrophobicContact CB-CB 3.71Å; F167-L170 HydrophobicContact CB-CD2 4.21Å; F167-L170 WeakPolarHBondContact O-CB 3.26Å; F167-L170 PolarHBondContact O-N 3.41Å; F167-L170 VanDerWaalsContact O-N 3.09Å; L170-I172 HydrophobicContact CD2-CG1 4.42Å; L170-I172 HydrophobicContact CG-CG1 4.32Å
171E96.7Very high96.3Very high49 Ų4946.3 Ų46.323%0.22924%0.235CC..EExtended strand (participates in β ladder)trans-75.3126.6170.9-161.262.7-141.700108D136 V137 L138 T192 M193D136-E171 WeakPolarHBondContact O-CB 3.49Å; V137-E171 WeakPolarHBondContact CA-O 3.21Å; V137-E171 HydrophobicContact CG2-CB 4.06Å; V137-E171 HydrophobicContact CG2-CG 4.27Å; L138-E171 PolarHBondContact N-O 3.13Å; E171-T192 WeakPolarHBondContact OE1-CB 3.37Å; E171-T192 PolarHBondContact OE1-OG1 3.45Å; E171-M193 HydrophobicContact CG-CG 3.71Å; E171-M193 HydrophobicContact CG-SD 3.42Å; E171-M193 WeakPolarHBondContact CG-SD 3.49Å; E171-M193 WeakPolarHBondContact OE1-CG 3.44Å
172I98.4Very high96.3Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-120112.3-177.3-56.6170.7000108.3L138 V160 A163 R164 L170 T192 M193L138-I172 CarbonylContact O-C 3.56Å; L138-I172 WeakPolarHBondContact O-CA 3.33Å; V160-I172 HydrophobicContact CG1-CG2 3.95Å; V160-I172 HydrophobicContact CG2-CG2 4.24Å; A163-I172 HydrophobicContact CB-CD1 3.9Å; R164-I172 HydrophobicContact CB-CD1 3.83Å; L170-I172 HydrophobicContact CD2-CG1 4.42Å; L170-I172 HydrophobicContact CG-CG1 4.32Å; I172-T192 PolarHBondContact N-OG1 3.07Å; I172-T192 VanDerWaalsContact N-OG1 3.16Å; I172-T192 PolarHBondContact O-N 3.06Å; I172-T192 PolarHBondContact O-OG1 2.99Å; I172-M193 PolarHBondContact O-N 2.87Å; I172-M193 VanDerWaalsContact O-N 3.12Å
173E98.9Very high96.3Very high0 Ų039.9 Ų39.90%021%0.209CC..EExtended strand (participates in β ladder)trans-91.6146.5175.4-168.5174.5-142.700111.1F33 H35 V137 L138 L139 V140 M193 V195F33-E173 WeakPolarHBondContact CE2-OE1 3.16Å; H35-E173 IonicContact ND1-OE1 3.87Å; V137-E173 HydrophobicContact CG1-CB 3.71Å; L138-E173 PolarHBondContact O-N 3.29Å; L139-E173 WeakPolarHBondContact CA-O 3.44Å; L139-E173 HydrophobicContact CB-CB 4.29Å; L139-E173 HydrophobicContact CD1-CB 3.96Å; L139-E173 HydrophobicContact CD1-CG 3.7Å; V140-E173 PolarHBondContact N-O 2.99Å; E173-M193 VanDerWaalsContact CA-O 3.26Å; E173-M193 WeakPolarHBondContact CA-O 3.28Å; E173-M193 HydrophobicContact CB-CB 3.77Å; E173-M193 HydrophobicContact CG-CB 3.74Å; E173-V195 HydrophobicContact CG-CG2 3.78Å; E173-V195 WeakPolarHBondContact OE1-CG2 3.49Å
174I98.8Very high96.4Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-129.7139.4169.757169.3000110.5V140 T142 V160 V178 C186 A191 M193 I194 V195V140-I174 HydrophobicContact CB-CG2 4.38Å; V140-I174 WeakPolarHBondContact O-CA 3.45Å; T142-I174 HydrophobicContact CG2-CB 4.17Å; T142-I174 HydrophobicContact CG2-CG2 4.31Å; V160-I174 HydrophobicContact CG2-CG2 3.87Å; I174-V178 HydrophobicContact CD1-CG1 4.07Å; I174-V178 HydrophobicContact CD1-CG2 3.74Å; I174-V178 HydrophobicContact CG1-CG2 4.13Å; I174-C186 HydrophobicContact CD1-CB 3.29Å; I174-C186 WeakPolarHBondContact CD1-SG 3.3Å; I174-A191 HydrophobicContact CB-CB 4.48Å; I174-A191 HydrophobicContact CD1-CB 3.91Å; I174-A191 HydrophobicContact CG1-CB 3.97Å; I174-A191 HydrophobicContact CG2-CB 3.73Å; I174-M193 PolarHBondContact N-O 2.97Å; I174-I194 HydrophobicContact CD1-CD1 3.84Å; I174-I194 HydrophobicContact CG1-CD1 3.87Å; I174-V195 VanDerWaalsContact O-CB 3.32Å; I174-V195 WeakPolarHBondContact O-CB 3.47Å; I174-V195 PolarHBondContact O-N 3.2Å
175D98.5Very high96.5Very high20 Ų2046 Ų4611%0.10724%0.24CC..EExtended strand (participates in β ladder)trans-139.5132.1174.7-179.226.7000111.4H35 H70 L139 V140 M141 T142 V195H35-D175 IonicContact NE2-OD2 3.54Å; H70-D175 IonicContact ND1-OD2 3.92Å; L139-D175 HydrophobicContact CD1-CB 3.82Å; V140-D175 PolarHBondContact O-N 3.15Å; M141-D175 WeakPolarHBondContact CA-O 3.16Å; M141-D175 HydrophobicContact CE-CB 4.12Å; M141-D175 WeakPolarHBondContact CE-OD2 3.32Å; M141-D175 HydrophobicContact SD-CB 4.01Å; T142-D175 PolarHBondContact N-O 3.38Å; T142-D175 VanDerWaalsContact OG1-C 3.24Å; T142-D175 PolarHBondContact OG1-O 3.02Å; D175-V195 HydrophobicContact CB-CB 3.73Å; D175-V195 HydrophobicContact CB-CG1 4.05Å; D175-V195 HydrophobicContact CB-CG2 4.12Å; D175-V195 WeakPolarHBondContact OD1-CG1 3.36Å
176G97.4Very high96.7Very high5 Ų538 Ų385%0.05221%0.209CC..SBendtrans126.6101.4177.400000114.9T142 V143 V178T142-G176 VanDerWaalsContact OG1-C 3.28Å; T142-G176 VanDerWaalsContact OG1-CA 3.29Å; T142-G176 WeakPolarHBondContact OG1-CA 3.37Å; T142-G176 PolarHBondContact OG1-N 3.26Å; T142-G176 PolarHBondContact OG1-O 3.39Å; V143-G176 VanDerWaalsContact CG2-CA 3.49Å; G176-V178 PolarHBondContact O-N 2.9Å
177G95.9Very high96.9Very high30 Ų3035 Ų3531%0.30919%0.194SC..SBendtrans67.720.8173.200000114.4Q150 N182Q150-G177 WeakPolarHBondContact O-CA 3.35Å; G177-N182 PolarHBondContact O-ND2 2.99Å
178V97.6Very high97Very high2 Ų237 Ų371%0.01220%0.203CC..  trans-85.2143.2178.6-171.90000110.7L152 I174 G176 N182 I194 S196 S199 M213L152-V178 HydrophobicContact CD1-CG2 4.11Å; I174-V178 HydrophobicContact CD1-CG1 4.07Å; I174-V178 HydrophobicContact CD1-CG2 3.74Å; I174-V178 HydrophobicContact CG1-CG2 4.13Å; G176-V178 PolarHBondContact O-N 2.9Å; V178-N182 WeakPolarHBondContact CA-OD1 3.4Å; V178-I194 HydrophobicContact CB-CG2 4.42Å; V178-I194 HydrophobicContact CG1-CG2 3.55Å; V178-S196 WeakPolarHBondContact O-CB 3.27Å; V178-S196 PolarHBondContact O-OG 3.15Å; V178-S199 PolarHBondContact O-OG 3.04Å; V178-M213 HydrophobicContact CG1-CE 4.26Å
179G97.5Very high97.3Very high3 Ų334.6 Ų34.63%0.03119%0.188CC..SBendtrans-177.3-168.2177.100000112.9A181 N182 I183G179-A181 PolarHBondContact O-N 2.86Å; G179-N182 PolarHBondContact N-OD1 3.13Å; G179-N182 PolarHBondContact O-N 2.89Å; G179-N182 VanDerWaalsContact O-N 3.13Å; G179-N182 PolarHBondContact O-OD1 3.08Å; G179-N182 VanDerWaalsContact O-OD1 3.05Å; G179-I183 WeakPolarHBondContact O-CB 3.47Å; G179-I183 PolarHBondContact O-N 3Å
180P97.9Very high97.7Very high50 Ų5024.7 Ų24.733%0.32515%0.151SC..THydrogen-bonded Turntrans-54.1-28.7-178.2-31.338.1000115.4V209 Y212 M213P180-V209 HydrophobicContact CG-CG1 3.82Å; P180-Y212 HydrophobicContact CB-CD1 3.84Å; P180-Y212 HydrophobicContact CB-CE1 3.74Å; P180-Y212 HydrophobicContact CG-CD1 4.31Å; P180-M213 HydrophobicContact CG-CG 4.26Å; P180-M213 HydrophobicContact CG-SD 4.37Å
181A97.2Very high97.8Very high103 Ų10324 Ų2485%0.85115%0.147SC*.THydrogen-bonded Turntrans-75.8-22.1-177.200000114.2G179G179-A181 PolarHBondContact O-N 2.86Å
182N97.9Very high97.9Very high19 Ų1921.7 Ų21.710%0.10214%0.136CC..THydrogen-bonded Turntrans-133.92.6-174.659.518.5000114.1G177 V178 G179 D184 Q185 C186G177-N182 PolarHBondContact O-ND2 2.99Å; V178-N182 WeakPolarHBondContact CA-OD1 3.4Å; G179-N182 PolarHBondContact N-OD1 3.13Å; G179-N182 PolarHBondContact O-N 2.89Å; G179-N182 VanDerWaalsContact O-N 3.13Å; G179-N182 PolarHBondContact O-OD1 3.08Å; G179-N182 VanDerWaalsContact O-OD1 3.05Å; N182-D184 PolarHBondContact O-N 2.99Å; N182-Q185 PolarHBondContact O-N 2.81Å; N182-Q185 VanDerWaalsContact O-N 3.13Å; N182-C186 PolarHBondContact O-N 2.83Å; N182-C186 VanDerWaalsContact O-N 3.13Å; N182-C186 PolarHBondContact O-SG 2.87Å
183I98.3Very high97.9Very high0 Ų022 Ų220%014%0.138CC..Hα-helixtrans-53.1-37.2175.8-174.758.9000112.3G179 C186 C187 I194 Y212 M213 R216G179-I183 WeakPolarHBondContact O-CB 3.47Å; G179-I183 PolarHBondContact O-N 3Å; I183-C186 WeakPolarHBondContact O-CB 3.43Å; I183-C186 PolarHBondContact O-N 2.66Å; I183-C187 PolarHBondContact O-N 2.81Å; I183-I194 HydrophobicContact CD1-CB 4.42Å; I183-I194 HydrophobicContact CD1-CD1 3.94Å; I183-I194 HydrophobicContact CD1-CG1 3.81Å; I183-I194 HydrophobicContact CD1-CG2 3.91Å; I183-Y212 HydrophobicContact CG2-CE1 4.24Å; I183-M213 HydrophobicContact CB-CG 4.36Å; I183-M213 HydrophobicContact CD1-CB 4.32Å; I183-M213 HydrophobicContact CD1-CE 4.14Å; I183-M213 HydrophobicContact CG1-CB 4.05Å; I183-M213 HydrophobicContact CG1-CG 4.32Å; I183-R216 HydrophobicContact CG2-CB 4.13Å
184D98.3Very high97.9Very high43 Ų4322 Ų2223%0.2314%0.138CC..Hα-helixtrans-60.9-50.4179.3-74.46.2000111.1N182 C186 C187 E188 R216 I220N182-D184 PolarHBondContact O-N 2.99Å; D184-C186 VanDerWaalsContact C-N 3.27Å; D184-C186 PolarHBondContact O-N 2.83Å; D184-C187 PolarHBondContact O-N 2.81Å; D184-E188 VanDerWaalsContact O-CB 3.26Å; D184-E188 WeakPolarHBondContact O-CB 3.4Å; D184-E188 WeakPolarHBondContact O-CG 3.37Å; D184-E188 PolarHBondContact O-N 3.46Å; D184-R216 VanDerWaalsContact CG-NH2 3.34Å; D184-R216 IonicContact OD1-CZ 2.8Å; D184-R216 IonicContact OD1-NE 3.5Å; D184-R216 PolarHBondContact OD1-NE 3.14Å; D184-R216 IonicContact OD1-NH2 3.49Å; D184-R216 PolarHBondContact OD1-NH2 3.39Å; D184-R216 IonicContact OD2-CZ 2.83Å; D184-R216 IonicContact OD2-NE 3.59Å; D184-R216 IonicContact OD2-NH2 2.94Å; D184-R216 PolarHBondContact OD2-NH2 3.17Å; D184-I220 VanDerWaalsContact CA-CD1 3.42Å; D184-I220 HydrophobicContact CB-CD1 3.62Å; D184-I220 WeakPolarHBondContact OD1-CD1 3.45Å
185Q98.3Very high97.9Very high95 Ų9522 Ų2244%0.44414%0.138SC..Hα-helixtrans-63-35.4179.4-63.8176.1-16.200112.2L157 N182 A189L157-Q185 HydrophobicContact CD1-CB 3.96Å; N182-Q185 PolarHBondContact O-N 2.81Å; N182-Q185 VanDerWaalsContact O-N 3.13Å; Q185-A189 WeakPolarHBondContact O-CB 3.46Å; Q185-A189 PolarHBondContact O-N 2.97Å
186C98.6Very high97.8Very high0 Ų021.1 Ų21.10%013%0.133CC..Hα-helixtrans-64.4-51.6177.8-67.70000111.8I174 N182 I183 D184 A189 G190 A191I174-C186 HydrophobicContact CD1-CB 3.29Å; I174-C186 WeakPolarHBondContact CD1-SG 3.3Å; N182-C186 PolarHBondContact O-N 2.83Å; N182-C186 VanDerWaalsContact O-N 3.13Å; N182-C186 PolarHBondContact O-SG 2.87Å; I183-C186 WeakPolarHBondContact O-CB 3.43Å; I183-C186 PolarHBondContact O-N 2.66Å; D184-C186 VanDerWaalsContact C-N 3.27Å; D184-C186 PolarHBondContact O-N 2.83Å; C186-A189 WeakPolarHBondContact O-CB 3.22Å; C186-A189 PolarHBondContact O-N 2.87Å; C186-G190 PolarHBondContact O-N 2.9Å; C186-A191 WeakPolarHBondContact O-CB 3.23Å; C186-A191 PolarHBondContact O-N 2.83Å; C186-A191 VanDerWaalsContact O-N 3.16Å
187C97.7Very high97.7Very high0 Ų021.2 Ų21.20%013%0.134CC..Hα-helixtrans-72-31.5178.2-67.90000112I183 D184 A189 G190 G217 I220 L221I183-C187 PolarHBondContact O-N 2.81Å; D184-C187 PolarHBondContact O-N 2.81Å; C187-A189 PolarHBondContact O-N 3.39Å; C187-G190 WeakPolarHBondContact O-CA 3.48Å; C187-G190 PolarHBondContact O-N 2.94Å; C187-G217 WeakPolarHBondContact SG-CA 3.1Å; C187-I220 HydrophobicContact CB-CB 4.16Å; C187-I220 HydrophobicContact CB-CG2 3.93Å; C187-L221 HydrophobicContact CB-CD2 4.49Å; C187-L221 HydrophobicContact CB-CG 4.21Å
188E97Very high97.5Very high85 Ų8522.1 Ų22.140%0.39713%0.134SC..Hα-helixtrans-62.9-32.5170-79.9175.6-174.400111.6D184 G190 I220 K224 Y225D184-E188 VanDerWaalsContact O-CB 3.26Å; D184-E188 WeakPolarHBondContact O-CB 3.4Å; D184-E188 WeakPolarHBondContact O-CG 3.37Å; D184-E188 PolarHBondContact O-N 3.46Å; E188-G190 VanDerWaalsContact C-N 3.26Å; E188-I220 HydrophobicContact CB-CG2 4.24Å; E188-I220 HydrophobicContact CG-CG2 3.63Å; E188-K224 WeakPolarHBondContact O-CD 3.48Å; E188-K224 VanDerWaalsContact O-CE 3.3Å; E188-K224 WeakPolarHBondContact O-CE 3.35Å; E188-K224 PolarHBondContact O-NZ 3.49Å; E188-Y225 PolarHBondContact O-OH 2.84Å
189A97.9Very high97.4Very high0 Ų024.3 Ų24.30%015%0.149CC..Hα-helixtrans-71-26.717400000112L157 V160 R161 Q185 C186 C187 Y225L157-A189 HydrophobicContact CB-CB 3.98Å; L157-A189 HydrophobicContact CD2-CB 4.26Å; V160-A189 HydrophobicContact CB-CB 3.92Å; V160-A189 HydrophobicContact CG1-CB 3.74Å; R161-A189 VanDerWaalsContact CA-O 3.32Å; R161-A189 WeakPolarHBondContact CA-O 3.5Å; R161-A189 HydrophobicContact CG-CB 3.87Å; R161-A189 PolarHBondContact N-O 3.07Å; Q185-A189 WeakPolarHBondContact O-CB 3.46Å; Q185-A189 PolarHBondContact O-N 2.97Å; C186-A189 WeakPolarHBondContact O-CB 3.22Å; C186-A189 PolarHBondContact O-N 2.87Å; C187-A189 PolarHBondContact O-N 3.39Å; A189-Y225 PolarHBondContact O-OH 3.33Å; A189-Y225 VanDerWaalsContact O-OH 3.06Å
190G97.1Very high97.4Very high0 Ų024.1 Ų24.10%015%0.148CC..THydrogen-bonded Turntrans11415.6178.400000114.5R164 C186 C187 E188 Y225R164-G190 PolarHBondContact NE-O 3.08Å; R164-G190 PolarHBondContact NH2-O 3.38Å; C186-G190 PolarHBondContact O-N 2.9Å; C187-G190 WeakPolarHBondContact O-CA 3.48Å; C187-G190 PolarHBondContact O-N 2.94Å; E188-G190 VanDerWaalsContact C-N 3.26Å; G190-Y225 WeakPolarHBondContact CA-OH 3.35Å; G190-Y225 PolarHBondContact N-OH 3.09Å
191A98.3Very high97.3Very high0 Ų023.1 Ų23.10%014%0.14CC..  trans-72.7143.9172.200000111.3V160 I174 C186 I194V160-A191 HydrophobicContact CG1-CB 4.08Å; I174-A191 HydrophobicContact CB-CB 4.48Å; I174-A191 HydrophobicContact CD1-CB 3.91Å; I174-A191 HydrophobicContact CG1-CB 3.97Å; I174-A191 HydrophobicContact CG2-CB 3.73Å; C186-A191 WeakPolarHBondContact O-CB 3.23Å; C186-A191 PolarHBondContact O-N 2.83Å; C186-A191 VanDerWaalsContact O-N 3.16Å; A191-I194 HydrophobicContact CB-CD1 4.04Å
192T97.9Very high97Very high0 Ų025.4 Ų25.40%013%0.131CC..  trans-132.8-31.9-16854.20000111.9V3 C5 Q6 R164 E171 I172 L221V3-T192 HydrophobicContact CG1-CG2 3.04Å; C5-T192 CarbonylContact C-O 3.14Å; C5-T192 WeakPolarHBondContact CA-O 3.34Å; Q6-T192 PolarHBondContact N-O 2.64Å; R164-T192 VanDerWaalsContact NH2-CG2 3.28Å; E171-T192 WeakPolarHBondContact OE1-CB 3.37Å; E171-T192 PolarHBondContact OE1-OG1 3.45Å; I172-T192 PolarHBondContact N-OG1 3.07Å; I172-T192 VanDerWaalsContact N-OG1 3.16Å; I172-T192 PolarHBondContact O-N 3.06Å; I172-T192 PolarHBondContact O-OG1 2.99Å; T192-L221 HydrophobicContact CG2-CD1 4.14Å; T192-L221 HydrophobicContact CG2-CD2 4.04Å
193M98.4Very high96.9Very high6 Ų625.8 Ų25.83%0.0314%0.137CC..EExtended strand (participates in β ladder)trans-100.3124.6164.2-71.6177.468.100109.8Q6 F33 V137 E171 I172 E173 I174Q6-M193 HydrophobicContact CB-CG 4.36Å; F33-M193 HydrophobicContact CD1-CE 4.27Å; F33-M193 HydrophobicContact CD2-CE 4.44Å; F33-M193 HydrophobicContact CE1-CB 4.35Å; F33-M193 HydrophobicContact CE1-CE 3.92Å; F33-M193 HydrophobicContact CE1-CG 4.4Å; F33-M193 HydrophobicContact CE2-CE 4.05Å; F33-M193 HydrophobicContact CZ-CB 4.22Å; F33-M193 HydrophobicContact CZ-CE 3.79Å; V137-M193 HydrophobicContact CG1-SD 4.01Å; V137-M193 HydrophobicContact CG2-SD 4.13Å; E171-M193 HydrophobicContact CG-CG 3.71Å; E171-M193 HydrophobicContact CG-SD 3.42Å; E171-M193 WeakPolarHBondContact CG-SD 3.49Å; E171-M193 WeakPolarHBondContact OE1-CG 3.44Å; I172-M193 PolarHBondContact O-N 2.87Å; I172-M193 VanDerWaalsContact O-N 3.12Å; E173-M193 VanDerWaalsContact CA-O 3.26Å; E173-M193 WeakPolarHBondContact CA-O 3.28Å; E173-M193 HydrophobicContact CB-CB 3.77Å; E173-M193 HydrophobicContact CG-CB 3.74Å; I174-M193 PolarHBondContact N-O 2.97Å
194I98.7Very high96.8Very high0 Ų032.2 Ų32.20%018%0.182CC..EExtended strand (participates in β ladder)trans-117.7110.2-173.4-49.8-62.2000109.5Q6 G8 I174 V178 I183 A191 M213Q6-I194 PolarHBondContact O-N 2.87Å; G8-I194 PolarHBondContact N-O 3.41Å; I174-I194 HydrophobicContact CD1-CD1 3.84Å; I174-I194 HydrophobicContact CG1-CD1 3.87Å; V178-I194 HydrophobicContact CB-CG2 4.42Å; V178-I194 HydrophobicContact CG1-CG2 3.55Å; I183-I194 HydrophobicContact CD1-CB 4.42Å; I183-I194 HydrophobicContact CD1-CD1 3.94Å; I183-I194 HydrophobicContact CD1-CG1 3.81Å; I183-I194 HydrophobicContact CD1-CG2 3.91Å; A191-I194 HydrophobicContact CB-CD1 4.04Å; I194-M213 HydrophobicContact CG2-CE 3.54Å
195V98.7Very high96.8Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-88.7129.2171.8-175.70000109.6G8 F33 H35 E173 I174 D175G8-V195 VanDerWaalsContact O-CA 3.3Å; G8-V195 WeakPolarHBondContact O-CA 3.38Å; F33-V195 HydrophobicContact CE2-CG2 4.16Å; F33-V195 HydrophobicContact CZ-CG2 4.32Å; H35-V195 HydrophobicContact CB-CG1 3.95Å; H35-V195 HydrophobicContact CB-CG2 4.29Å; H35-V195 WeakPolarHBondContact ND1-CG2 3.03Å; E173-V195 HydrophobicContact CG-CG2 3.78Å; E173-V195 WeakPolarHBondContact OE1-CG2 3.49Å; I174-V195 VanDerWaalsContact O-CB 3.32Å; I174-V195 WeakPolarHBondContact O-CB 3.47Å; I174-V195 PolarHBondContact O-N 3.2Å; D175-V195 HydrophobicContact CB-CB 3.73Å; D175-V195 HydrophobicContact CB-CG1 4.05Å; D175-V195 HydrophobicContact CB-CG2 4.12Å; D175-V195 WeakPolarHBondContact OD1-CG1 3.36Å
196S97.9Very high96.7Very high3 Ų330.9 Ų30.92%0.02118%0.179CC..  trans-144.8111.4173.3-1740000111.8G8 P9 S10 V178 S199G8-S196 PolarHBondContact O-N 2.83Å; G8-S196 VanDerWaalsContact O-N 3.08Å; P9-S196 VanDerWaalsContact CA-O 3.31Å; P9-S196 WeakPolarHBondContact CA-O 3.46Å; S10-S196 PolarHBondContact N-O 3.28Å; V178-S196 WeakPolarHBondContact O-CB 3.27Å; V178-S196 PolarHBondContact O-OG 3.15Å; S196-S199 WeakPolarHBondContact OG-CB 3.46Å
197G94Very high96.7Very high7 Ų735.6 Ų35.67%0.07220%0.202CC..SBendtrans-78.1-91.217500000111.8N13 S199 I200 V201N13-G197 WeakPolarHBondContact OD1-CA 3.22Å; G197-S199 VanDerWaalsContact C-N 3.33Å; G197-S199 PolarHBondContact O-N 3.13Å; G197-S199 VanDerWaalsContact O-N 3.14Å; G197-I200 PolarHBondContact O-N 3.07Å; G197-I200 VanDerWaalsContact O-N 3.1Å; G197-V201 WeakPolarHBondContact O-CB 3.35Å; G197-V201 WeakPolarHBondContact O-CG2 3.39Å; G197-V201 PolarHBondContact O-N 3.48Å
198T92.7Very high96.8Very high49 Ų4939 Ų3930%0.30123%0.225SC..Hα-helixtrans-47.1-45.5-173.9-65.20000114.9N13 I200 K202N13-T198 PolarHBondContact OD1-N 3.47Å; T198-I200 VanDerWaalsContact C-N 3.27Å; T198-I200 PolarHBondContact O-N 3.32Å; T198-K202 HydrophobicContact CG2-CD 4.16Å; T198-K202 WeakPolarHBondContact O-CB 3.43Å; T198-K202 PolarHBondContact O-N 3.29Å; T198-K202 VanDerWaalsContact O-N 3.13Å
199S95.1Very high96.9Very high47 Ų4736.1 Ų36.133%0.32921%0.213SC..Hα-helixtrans-65.6-28.8-174.6-48.60000113.2V178 S196 G197V178-S199 PolarHBondContact O-OG 3.04Å; S196-S199 WeakPolarHBondContact OG-CB 3.46Å; G197-S199 VanDerWaalsContact C-N 3.33Å; G197-S199 PolarHBondContact O-N 3.13Å; G197-S199 VanDerWaalsContact O-N 3.14Å
200I97.6Very high96.9Very high0 Ų036.1 Ų36.10%021%0.213CC..Hα-helixtrans-94.6-54.2177.6-62.3172.4000110.1V7 P9 L26 G197 T198 K202 A203 P206 V209 M210 M213V7-I200 HydrophobicContact CG1-CD1 3.58Å; P9-I200 HydrophobicContact CB-CB 4.33Å; P9-I200 HydrophobicContact CB-CD1 4.32Å; P9-I200 HydrophobicContact CB-CG2 3.99Å; L26-I200 HydrophobicContact CD2-CG2 3.75Å; G197-I200 PolarHBondContact O-N 3.07Å; G197-I200 VanDerWaalsContact O-N 3.1Å; T198-I200 VanDerWaalsContact C-N 3.27Å; T198-I200 PolarHBondContact O-N 3.32Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 2.95Å; I200-A203 VanDerWaalsContact O-CB 3.3Å; I200-A203 WeakPolarHBondContact O-CB 3.36Å; I200-A203 PolarHBondContact O-N 2.75Å; I200-A203 VanDerWaalsContact O-N 3.09Å; I200-P206 HydrophobicContact CG2-CB 3.95Å; I200-V209 HydrophobicContact CG1-CG1 3.96Å; I200-M210 HydrophobicContact CD1-CG 3.63Å; I200-M210 HydrophobicContact CD1-SD 4.21Å; I200-M210 HydrophobicContact CG1-CG 4.02Å; I200-M210 HydrophobicContact CG2-CE 4.31Å; I200-M210 HydrophobicContact CG2-CG 3.85Å; I200-M210 HydrophobicContact CG2-SD 3.96Å; I200-M213 HydrophobicContact CG1-SD 4.46Å
201V94.7Very high97Very high28 Ų2838.7 Ų38.717%0.1723%0.227CC..Hα-helixtrans-64.3-34.2-170.3178.70000112.2P9 N13 L26 G197P9-V201 HydrophobicContact CB-CG2 4.3Å; N13-V201 HydrophobicContact CB-CB 4.31Å; N13-V201 HydrophobicContact CB-CG1 4.42Å; N13-V201 HydrophobicContact CB-CG2 4.44Å; N13-V201 WeakPolarHBondContact O-CG1 3.36Å; L26-V201 HydrophobicContact CD1-CG2 4.3Å; G197-V201 WeakPolarHBondContact O-CB 3.35Å; G197-V201 WeakPolarHBondContact O-CG2 3.39Å; G197-V201 PolarHBondContact O-N 3.48Å
202K92.3Very high97Very high152 Ų15243.6 Ų43.666%0.66125%0.246SC*.THydrogen-bonded Turntrans-95.34178.2-57.7-168.2-177.3172.60113.7T198 I200T198-K202 HydrophobicContact CG2-CD 4.16Å; T198-K202 WeakPolarHBondContact O-CB 3.43Å; T198-K202 PolarHBondContact O-N 3.29Å; T198-K202 VanDerWaalsContact O-N 3.13Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 2.95Å
203A95.8Very high97Very high26 Ų2643.6 Ų43.622%0.21525%0.246CC..  trans-69143.9176.800000110.7I200 N205 P206 V209I200-A203 VanDerWaalsContact O-CB 3.3Å; I200-A203 WeakPolarHBondContact O-CB 3.36Å; I200-A203 PolarHBondContact O-N 2.75Å; I200-A203 VanDerWaalsContact O-N 3.09Å; A203-N205 PolarHBondContact O-N 3.26Å; A203-P206 HydrophobicContact CB-CG 4.47Å; A203-V209 HydrophobicContact CB-CG2 3.7Å
204S95.7Very high97Very high135 Ų13545.1 Ų45.194%0.94425%0.252SS*.SBendtrans-64.3-26.5169.654.30000112.3
205N97.5Very high97Very high79 Ų7951.7 Ų51.742%0.42228%0.282SS..  trans-137.487.5174.4-172.5-20.3000110.4A203 E207 S208 V209A203-N205 PolarHBondContact O-N 3.26Å; N205-E207 VanDerWaalsContact C-N 3.27Å; N205-E207 PolarHBondContact O-N 3.27Å; N205-E207 WeakPolarHBondContact OD1-CB 3.32Å; N205-E207 PolarHBondContact OD1-N 3.11Å; N205-S208 PolarHBondContact O-N 3.2Å; N205-S208 PolarHBondContact OD1-N 3.45Å; N205-V209 PolarHBondContact O-N 2.91Å
206P98.1Very high96.9Very high32 Ų3255 Ų5521%0.20830%0.295CS..Hα-helixtrans-58.9-34.9178.8-26.235.8000113.6L26 A29 I200 A203 V209 M210L26-P206 HydrophobicContact CD2-CB 4.24Å; A29-P206 HydrophobicContact CB-CB 4.29Å; I200-P206 HydrophobicContact CG2-CB 3.95Å; A203-P206 HydrophobicContact CB-CG 4.47Å; P206-V209 PolarHBondContact O-N 3.17Å; P206-M210 HydrophobicContact CB-CE 4.4Å; P206-M210 WeakPolarHBondContact O-CG 3.46Å; P206-M210 PolarHBondContact O-N 3.49Å
207E98.6Very high96.9Very high99 Ų9954.8 Ų54.846%0.46329%0.294SS..Hα-helixtrans-60.8-48.8178177.7179.3-169.600110.9A29 N205 V209 M210 N211A29-E207 HydrophobicContact CB-CB 3.8Å; A29-E207 WeakPolarHBondContact O-CA 3.45Å; N205-E207 VanDerWaalsContact C-N 3.27Å; N205-E207 PolarHBondContact O-N 3.27Å; N205-E207 WeakPolarHBondContact OD1-CB 3.32Å; N205-E207 PolarHBondContact OD1-N 3.11Å; E207-V209 VanDerWaalsContact C-N 3.28Å; E207-V209 PolarHBondContact O-N 3.31Å; E207-M210 PolarHBondContact O-N 2.85Å; E207-N211 VanDerWaalsContact O-CB 3.29Å; E207-N211 WeakPolarHBondContact O-CB 3.48Å; E207-N211 VanDerWaalsContact O-CG 3.22Å; E207-N211 PolarHBondContact O-N 2.75Å; E207-N211 PolarHBondContact O-ND2 3.43Å
208S98.6Very high97Very high70 Ų7057 Ų5749%0.4930%0.303SS..Hα-helixtrans-61.1-37.6177.6-177.10000112.3N205 Y212N205-S208 PolarHBondContact O-N 3.2Å; N205-S208 PolarHBondContact OD1-N 3.45Å; S208-Y212 VanDerWaalsContact O-CB 3.28Å; S208-Y212 WeakPolarHBondContact O-CB 3.31Å; S208-Y212 PolarHBondContact O-N 3.18Å
209V98.7Very high97.2Very high26 Ų2659.5 Ų59.516%0.15831%0.31CS..Hα-helixtrans-68.8-48.5179.1173.40000110.9P180 I200 A203 N205 P206 E207 Y212 M213P180-V209 HydrophobicContact CG-CG1 3.82Å; I200-V209 HydrophobicContact CG1-CG1 3.96Å; A203-V209 HydrophobicContact CB-CG2 3.7Å; N205-V209 PolarHBondContact O-N 2.91Å; P206-V209 PolarHBondContact O-N 3.17Å; E207-V209 VanDerWaalsContact C-N 3.28Å; E207-V209 PolarHBondContact O-N 3.31Å; V209-Y212 PolarHBondContact O-N 3.11Å; V209-M213 HydrophobicContact CG1-SD 3.87Å; V209-M213 WeakPolarHBondContact O-CG 3.26Å; V209-M213 PolarHBondContact O-N 3.01Å
210M98.6Very high97.2Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-63.5-43.2178.7-72.4-170.9-71.400111.8V7 P9 A29 A31 I200 P206 E207 M213 R214V7-M210 HydrophobicContact CG1-CB 4.3Å; V7-M210 HydrophobicContact CG1-CG 3.88Å; P9-M210 HydrophobicContact CG-SD 4.47Å; A29-M210 HydrophobicContact CB-CE 3.47Å; A29-M210 VanDerWaalsContact CB-CE 3.47Å; A29-M210 VanDerWaalsContact O-CE 3.28Å; A29-M210 WeakPolarHBondContact O-CE 3.23Å; A31-M210 HydrophobicContact CB-CE 4.4Å; A31-M210 HydrophobicContact CB-SD 3.95Å; I200-M210 HydrophobicContact CD1-CG 3.63Å; I200-M210 HydrophobicContact CD1-SD 4.21Å; I200-M210 HydrophobicContact CG1-CG 4.02Å; I200-M210 HydrophobicContact CG2-CE 4.31Å; I200-M210 HydrophobicContact CG2-CG 3.85Å; I200-M210 HydrophobicContact CG2-SD 3.96Å; P206-M210 HydrophobicContact CB-CE 4.4Å; P206-M210 WeakPolarHBondContact O-CG 3.46Å; P206-M210 PolarHBondContact O-N 3.49Å; E207-M210 PolarHBondContact O-N 2.85Å; M210-M213 PolarHBondContact O-N 2.8Å; M210-R214 VanDerWaalsContact O-CB 3.23Å; M210-R214 WeakPolarHBondContact O-CB 3.49Å; M210-R214 PolarHBondContact O-N 2.51Å
211N98.6Very high97Very high53 Ų5357.8 Ų57.828%0.28330%0.297SS..Hα-helixtrans-61.7-46176.5-71.8-15.9000111.6E207 M213 R214 E215E207-N211 VanDerWaalsContact O-CB 3.29Å; E207-N211 WeakPolarHBondContact O-CB 3.48Å; E207-N211 VanDerWaalsContact O-CG 3.22Å; E207-N211 PolarHBondContact O-N 2.75Å; E207-N211 PolarHBondContact O-ND2 3.43Å; N211-M213 PolarHBondContact O-N 3.39Å; N211-R214 PolarHBondContact O-N 3.06Å; N211-R214 PolarHBondContact OD1-NH1 2.9Å; N211-E215 WeakPolarHBondContact O-CB 3.33Å; N211-E215 VanDerWaalsContact O-CG 3.3Å; N211-E215 WeakPolarHBondContact O-CG 3.32Å; N211-E215 PolarHBondContact O-N 2.99Å
212Y98.7Very high96.9Very high104 Ų10460.9 Ų60.941%0.40831%0.312SS..Hα-helixtrans-57.3-50.8175.1175.7-93.5000111.8P180 I183 S208 V209 R214 E215 R216P180-Y212 HydrophobicContact CB-CD1 3.84Å; P180-Y212 HydrophobicContact CB-CE1 3.74Å; P180-Y212 HydrophobicContact CG-CD1 4.31Å; I183-Y212 HydrophobicContact CG2-CE1 4.24Å; S208-Y212 VanDerWaalsContact O-CB 3.28Å; S208-Y212 WeakPolarHBondContact O-CB 3.31Å; S208-Y212 PolarHBondContact O-N 3.18Å; V209-Y212 PolarHBondContact O-N 3.11Å; Y212-R214 VanDerWaalsContact C-N 3.33Å; Y212-R214 PolarHBondContact O-N 2.82Å; Y212-E215 PolarHBondContact O-N 2.71Å; Y212-R216 HydrophobicContact CD1-CG 4.26Å; Y212-R216 HydrophobicContact CD2-CG 4.28Å; Y212-R216 HydrophobicContact CE1-CG 3.84Å; Y212-R216 HydrophobicContact CE2-CG 3.88Å; Y212-R216 HydrophobicContact CG-CG 4.46Å; Y212-R216 WeakPolarHBondContact O-CB 3.41Å; Y212-R216 VanDerWaalsContact O-CG 3.27Å; Y212-R216 WeakPolarHBondContact O-CG 3.4Å; Y212-R216 PolarHBondContact O-N 2.78Å
213M98.7Very high96.8Very high0 Ų059.8 Ų59.80%031%0.31CS..Hα-helixtrans-61.2-42.5-179.6-71174.664.200111.8V7 V178 P180 I183 I194 I200 V209 M210 N211 G217V7-M213 HydrophobicContact CG1-CE 4.42Å; V7-M213 HydrophobicContact CG2-CB 4.12Å; V178-M213 HydrophobicContact CG1-CE 4.26Å; P180-M213 HydrophobicContact CG-CG 4.26Å; P180-M213 HydrophobicContact CG-SD 4.37Å; I183-M213 HydrophobicContact CB-CG 4.36Å; I183-M213 HydrophobicContact CD1-CB 4.32Å; I183-M213 HydrophobicContact CD1-CE 4.14Å; I183-M213 HydrophobicContact CG1-CB 4.05Å; I183-M213 HydrophobicContact CG1-CG 4.32Å; I194-M213 HydrophobicContact CG2-CE 3.54Å; I200-M213 HydrophobicContact CG1-SD 4.46Å; V209-M213 HydrophobicContact CG1-SD 3.87Å; V209-M213 WeakPolarHBondContact O-CG 3.26Å; V209-M213 PolarHBondContact O-N 3.01Å; M210-M213 PolarHBondContact O-N 2.8Å; N211-M213 PolarHBondContact O-N 3.39Å; M213-G217 PolarHBondContact O-N 3.47Å
214R98.1Very high96.5Very high37 Ų3763.4 Ų63.414%0.1432%0.321CS..Hα-helixtrans-64.9-46.9178.5-174179.3-54.397.93.6112.4V7 G30 D32 M210 N211 Y212 G217 N218V7-R214 HydrophobicContact CG2-CB 4.05Å; G30-R214 PolarHBondContact O-NH2 3.29Å; D32-R214 IonicContact OD1-NE 3.85Å; D32-R214 IonicContact OD2-CZ 3.79Å; D32-R214 IonicContact OD2-NE 3.99Å; D32-R214 PolarHBondContact OD2-NE 2.86Å; D32-R214 IonicContact OD2-NH2 2.98Å; D32-R214 PolarHBondContact OD2-NH2 2.69Å; M210-R214 VanDerWaalsContact O-CB 3.23Å; M210-R214 WeakPolarHBondContact O-CB 3.49Å; M210-R214 PolarHBondContact O-N 2.51Å; N211-R214 PolarHBondContact O-N 3.06Å; N211-R214 PolarHBondContact OD1-NH1 2.9Å; Y212-R214 VanDerWaalsContact C-N 3.33Å; Y212-R214 PolarHBondContact O-N 2.82Å; R214-G217 PolarHBondContact O-N 3.21Å; R214-N218 VanDerWaalsContact O-CB 3.28Å; R214-N218 WeakPolarHBondContact O-CB 3.48Å; R214-N218 VanDerWaalsContact O-CG 3.29Å; R214-N218 PolarHBondContact O-N 3.14Å; R214-N218 PolarHBondContact O-ND2 3.43Å; R214-N218 VanDerWaalsContact O-ND2 3.14Å
215E98Very high96Very high138 Ų13859.9 Ų59.965%0.64529%0.287SS*.Hα-helixtrans-63.8-46.4179.6-74.8176.6-175.400111.6N211 Y212 K219N211-E215 WeakPolarHBondContact O-CB 3.33Å; N211-E215 VanDerWaalsContact O-CG 3.3Å; N211-E215 WeakPolarHBondContact O-CG 3.32Å; N211-E215 PolarHBondContact O-N 2.99Å; Y212-E215 PolarHBondContact O-N 2.71Å; E215-K219 WeakPolarHBondContact O-CB 3.08Å; E215-K219 PolarHBondContact O-N 3.39Å
216R98Very high94.8Very high69 Ų6957.8 Ų57.826%0.2628%0.276SS..Hα-helixtrans-59.6-49.9174.8-71.7-57.3-57170-3.4111.6I183 D184 Y212 N218 K219 I220I183-R216 HydrophobicContact CG2-CB 4.13Å; D184-R216 VanDerWaalsContact CG-NH2 3.34Å; D184-R216 IonicContact OD1-CZ 2.8Å; D184-R216 IonicContact OD1-NE 3.5Å; D184-R216 PolarHBondContact OD1-NE 3.14Å; D184-R216 IonicContact OD1-NH2 3.49Å; D184-R216 PolarHBondContact OD1-NH2 3.39Å; D184-R216 IonicContact OD2-CZ 2.83Å; D184-R216 IonicContact OD2-NE 3.59Å; D184-R216 IonicContact OD2-NH2 2.94Å; D184-R216 PolarHBondContact OD2-NH2 3.17Å; Y212-R216 HydrophobicContact CD1-CG 4.26Å; Y212-R216 HydrophobicContact CD2-CG 4.28Å; Y212-R216 HydrophobicContact CE1-CG 3.84Å; Y212-R216 HydrophobicContact CE2-CG 3.88Å; Y212-R216 HydrophobicContact CG-CG 4.46Å; Y212-R216 WeakPolarHBondContact O-CB 3.41Å; Y212-R216 VanDerWaalsContact O-CG 3.27Å; Y212-R216 WeakPolarHBondContact O-CG 3.4Å; Y212-R216 PolarHBondContact O-N 2.78Å; R216-N218 PolarHBondContact O-N 3.44Å; R216-K219 PolarHBondContact O-N 3.15Å; R216-I220 WeakPolarHBondContact O-CG1 3.25Å; R216-I220 PolarHBondContact O-N 3.19Å; R216-I220 VanDerWaalsContact O-N 3.09Å
217G97.6Very high92.8Very high0 Ų064.4 Ų64.40%030%0.301CS..Hα-helixtrans-61.2-46.3179.900000112.5C187 M213 R214 K219 I220 L221C187-G217 WeakPolarHBondContact SG-CA 3.1Å; M213-G217 PolarHBondContact O-N 3.47Å; R214-G217 PolarHBondContact O-N 3.21Å; G217-K219 VanDerWaalsContact C-N 3.34Å; G217-K219 PolarHBondContact O-N 3.19Å; G217-I220 PolarHBondContact O-N 3.46Å; G217-L221 WeakPolarHBondContact O-CB 3.32Å; G217-L221 VanDerWaalsContact O-CG 3.24Å; G217-L221 WeakPolarHBondContact O-CG 3.42Å; G217-L221 PolarHBondContact O-N 3.37Å
218N96.4Very high90.1Very high52 Ų5264.6 Ų64.628%0.27831%0.311SS..Hα-helixtrans-59.8-42.8176.6-79.9-35.8000112.4K4 C5 R214 R216 L222K4-N218 WeakPolarHBondContact CA-OD1 3.4Å; C5-N218 PolarHBondContact N-OD1 3.14Å; R214-N218 VanDerWaalsContact O-CB 3.28Å; R214-N218 WeakPolarHBondContact O-CB 3.48Å; R214-N218 VanDerWaalsContact O-CG 3.29Å; R214-N218 PolarHBondContact O-N 3.14Å; R214-N218 PolarHBondContact O-ND2 3.43Å; R214-N218 VanDerWaalsContact O-ND2 3.14Å; R216-N218 PolarHBondContact O-N 3.44Å; N218-L222 WeakPolarHBondContact O-CB 3.35Å; N218-L222 PolarHBondContact O-N 3.33Å
219K95.6Very high87.6Confident103 Ų10370 Ų7045%0.44832%0.322SS..Hα-helixtrans-58.6-49.7177.1179.5-178.6174.9179.10111.2E215 R216 G217 L222 E223E215-K219 WeakPolarHBondContact O-CB 3.08Å; E215-K219 PolarHBondContact O-N 3.39Å; R216-K219 PolarHBondContact O-N 3.15Å; G217-K219 VanDerWaalsContact C-N 3.34Å; G217-K219 PolarHBondContact O-N 3.19Å; K219-L222 WeakPolarHBondContact O-CB 3.46Å; K219-L222 PolarHBondContact O-N 3.06Å; K219-E223 WeakPolarHBondContact CE-OE1 3.28Å; K219-E223 WeakPolarHBondContact CG-OE1 3.23Å; K219-E223 IonicContact NZ-OE1 3.59Å; K219-E223 WeakPolarHBondContact O-CG 3.43Å; K219-E223 PolarHBondContact O-N 3.21Å
220I95.4Very high84.7Confident10 Ų1079.5 Ų79.55%0.05137%0.372CS..Hα-helixtrans-68.4-44.1-176.7-70.6167.3000111.5D184 C187 E188 R216 G217 L222 E223 K224D184-I220 VanDerWaalsContact CA-CD1 3.42Å; D184-I220 HydrophobicContact CB-CD1 3.62Å; D184-I220 WeakPolarHBondContact OD1-CD1 3.45Å; C187-I220 HydrophobicContact CB-CB 4.16Å; C187-I220 HydrophobicContact CB-CG2 3.93Å; E188-I220 HydrophobicContact CB-CG2 4.24Å; E188-I220 HydrophobicContact CG-CG2 3.63Å; R216-I220 WeakPolarHBondContact O-CG1 3.25Å; R216-I220 PolarHBondContact O-N 3.19Å; R216-I220 VanDerWaalsContact O-N 3.09Å; G217-I220 PolarHBondContact O-N 3.46Å; I220-L222 VanDerWaalsContact C-N 3.28Å; I220-L222 PolarHBondContact O-N 3.44Å; I220-E223 PolarHBondContact O-N 3.11Å; I220-K224 WeakPolarHBondContact O-CB 3.23Å; I220-K224 PolarHBondContact O-N 3.26Å
221L94Very high84Confident0 Ų083.5 Ų83.50%039%0.391CS..Hα-helixtrans-61.6-39.6177.6-71.3169.2000111.2V3 C5 C187 T192 G217 Y225V3-L221 HydrophobicContact CG1-CD1 4.28Å; V3-L221 HydrophobicContact CG1-CD2 4.36Å; C5-L221 HydrophobicContact CB-CD1 3.97Å; C187-L221 HydrophobicContact CB-CD2 4.49Å; C187-L221 HydrophobicContact CB-CG 4.21Å; T192-L221 HydrophobicContact CG2-CD1 4.14Å; T192-L221 HydrophobicContact CG2-CD2 4.04Å; G217-L221 WeakPolarHBondContact O-CB 3.32Å; G217-L221 VanDerWaalsContact O-CG 3.24Å; G217-L221 WeakPolarHBondContact O-CG 3.42Å; G217-L221 PolarHBondContact O-N 3.37Å; L221-Y225 HydrophobicContact CD2-CD2 3.73Å; L221-Y225 HydrophobicContact CD2-CE2 4.05Å; L221-Y225 PolarHBondContact O-N 2.87Å
222L91.1Very high83.2Confident93 Ų9385.1 Ų85.149%0.48740%0.396SS..Hα-helixtrans-61.5-48.2174.3176.966.8000112Y2 N218 K219 I220 K224 L226Y2-L222 HydrophobicContact CE1-CD1 4.32Å; N218-L222 WeakPolarHBondContact O-CB 3.35Å; N218-L222 PolarHBondContact O-N 3.33Å; K219-L222 WeakPolarHBondContact O-CB 3.46Å; K219-L222 PolarHBondContact O-N 3.06Å; I220-L222 VanDerWaalsContact C-N 3.28Å; I220-L222 PolarHBondContact O-N 3.44Å; L222-K224 VanDerWaalsContact C-N 3.33Å; L222-K224 PolarHBondContact O-N 2.77Å; L222-L226 HydrophobicContact CB-CD1 4.37Å; L222-L226 HydrophobicContact CD1-CB 3.85Å; L222-L226 HydrophobicContact CD1-CD1 3.3Å; L222-L226 HydrophobicContact CD1-CD2 4.47Å; L222-L226 HydrophobicContact CD1-CG 4.04Å; L222-L226 HydrophobicContact CG-CD1 4.42Å; L222-L226 VanDerWaalsContact O-CB 3.25Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å
223E91.1Very high82.3Confident129 Ų12984.1 Ų84.160%0.60340%0.396SS*.Hα-helixtrans-65.5-35-178.7-73.6170.4-17700112.6K219 I220K219-E223 WeakPolarHBondContact CE-OE1 3.28Å; K219-E223 WeakPolarHBondContact CG-OE1 3.23Å; K219-E223 IonicContact NZ-OE1 3.59Å; K219-E223 WeakPolarHBondContact O-CG 3.43Å; K219-E223 PolarHBondContact O-N 3.21Å; I220-E223 PolarHBondContact O-N 3.11Å
224K89Confident81.4Confident102 Ų10289 Ų8944%0.44342%0.419SS..Hα-helixtrans-99.4-36.1-170.3-167.5167-175.2169.80115E188 I220 L222E188-K224 WeakPolarHBondContact O-CD 3.48Å; E188-K224 VanDerWaalsContact O-CE 3.3Å; E188-K224 WeakPolarHBondContact O-CE 3.35Å; E188-K224 PolarHBondContact O-NZ 3.49Å; I220-K224 WeakPolarHBondContact O-CB 3.23Å; I220-K224 PolarHBondContact O-N 3.26Å; L222-K224 VanDerWaalsContact C-N 3.33Å; L222-K224 PolarHBondContact O-N 2.77Å
225Y85.3Confident80.3Confident61 Ų6192.3 Ų92.324%0.23944%0.436CS..Hα-helixtrans-119-3.3-168.5-59.5-73.5000114.7R164 E188 A189 G190 L221R164-Y225 HydrophobicContact CG-CD1 3.83Å; R164-Y225 HydrophobicContact CG-CE1 3.3Å; E188-Y225 PolarHBondContact O-OH 2.84Å; A189-Y225 PolarHBondContact O-OH 3.33Å; A189-Y225 VanDerWaalsContact O-OH 3.06Å; G190-Y225 WeakPolarHBondContact CA-OH 3.35Å; G190-Y225 PolarHBondContact N-OH 3.09Å; L221-Y225 HydrophobicContact CD2-CD2 3.73Å; L221-Y225 HydrophobicContact CD2-CE2 4.05Å; L221-Y225 PolarHBondContact O-N 2.87Å
226L72.8Confident79.1Confident36 Ų3689.2 Ų89.219%0.18842%0.423CS..  trans-96.821.7-178-122.1151.6000114.4Y2 L222Y2-L226 HydrophobicContact CD1-CD1 3.21Å; Y2-L226 HydrophobicContact CD1-CD2 4.09Å; Y2-L226 HydrophobicContact CD1-CG 4.27Å; Y2-L226 HydrophobicContact CE1-CD1 3.6Å; Y2-L226 HydrophobicContact CE1-CD2 3.93Å; Y2-L226 HydrophobicContact CE1-CG 4.45Å; Y2-L226 HydrophobicContact CG-CD1 4Å; L222-L226 HydrophobicContact CB-CD1 4.37Å; L222-L226 HydrophobicContact CD1-CB 3.85Å; L222-L226 HydrophobicContact CD1-CD1 3.3Å; L222-L226 HydrophobicContact CD1-CD2 4.47Å; L222-L226 HydrophobicContact CD1-CG 4.04Å; L222-L226 HydrophobicContact CG-CD1 4.42Å; L222-L226 VanDerWaalsContact O-CB 3.25Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å
227K55.6Low77.8Confident170 Ų17090.6 Ų90.674%0.73943%0.434SS*.  trans-60127.9167.3-73.4-171.6177.7-177.40108.5Y229K227-Y229 PolarHBondContact O-N 2.58Å; K227-Y229 VanDerWaalsContact O-N 3.17Å
228P42.2Very low76.3Confident104 Ų10497.6 Ų97.668%0.67547%0.468SS*.  trans-53.9126.6166.923.2-29.8000106.6D230P228-D230 PolarHBondContact O-N 3.48Å; P228-D230 VanDerWaalsContact O-N 3.14Å
229Y45.4Very low74.6Confident183 Ų183101.4 Ų101.472%0.71848%0.483SS*.  trans-63.9113.4158.2-79.8-91.9000104.7P168 K227P168-Y229 WeakPolarHBondContact CB-OH 3.27Å; P168-Y229 VanDerWaalsContact CG-OH 3.31Å; P168-Y229 WeakPolarHBondContact CG-OH 3.46Å; K227-Y229 PolarHBondContact O-N 2.58Å; K227-Y229 VanDerWaalsContact O-N 3.17Å
230D37.6Very low72.7Confident226 Ų226101.3 Ų101.3100%1.20949%0.487SS*.  trans-58.80166.2-71.8-36.6000110.5P228P228-D230 PolarHBondContact O-N 3.48Å; P228-D230 VanDerWaalsContact O-N 3.14Å

Retrieved 230 of 230 residues in 190.2 ms (Link to these results)

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