A0A077ZPT8_TRITR Loading...

tagatose-bisphosphate aldolase

AlphaFold DB (P0C8J6), UniProt , Accession A0A077ZPT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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
1M54.7Low91.6Very high192 Ų19261.1 Ų61.195%0.94630%0.299SS*.  0114.80-165.8176.4-139.200105.9
2Y79Confident92.2Very high106 Ų10661.2 Ų61.242%0.41630%0.301SS..  trans-97.4-27.7-169.1-65.7-73.1000113.8A70 K71Y2-A70 HydrophobicContact CD1-CB 4.45Å; Y2-K71 HydrophobicContact CD1-CB 3.81Å; Y2-K71 HydrophobicContact CD2-CB 4.21Å; Y2-K71 HydrophobicContact CE1-CB 3.54Å; Y2-K71 HydrophobicContact CE1-CD 4.48Å; Y2-K71 HydrophobicContact CE1-CG 3.76Å; Y2-K71 HydrophobicContact CE2-CB 3.98Å; Y2-K71 HydrophobicContact CE2-CD 3.96Å; Y2-K71 HydrophobicContact CE2-CG 4.1Å; Y2-K71 HydrophobicContact CG-CB 4.14Å; Y2-K71 WeakPolarHBondContact OH-CG 3.44Å
3V93.3Very high92.7Very high13 Ų1356.5 Ų56.58%0.07928%0.278CS..BIsolated β-bridgetrans-90.7122.6172.4-177.80000108.8V66 S67 L77 I79V3-V66 HydrophobicContact CG2-CG1 4.06Å; V3-S67 WeakPolarHBondContact CG2-OG 3.49Å; V3-L77 WeakPolarHBondContact CA-O 3.41Å; V3-I79 HydrophobicContact CG1-CG2 3.87Å
4V96.3Very high93.1Very high48 Ų4857.2 Ų57.229%0.29128%0.281SS..  trans-113161.8-178.2-60.80000111.5M9 P76 L77 A78V4-M9 HydrophobicContact CG2-CE 4.45Å; V4-P76 HydrophobicContact CG1-CB 4.17Å; V4-P76 HydrophobicContact CG2-CB 4.08Å; V4-L77 PolarHBondContact N-O 2.82Å; V4-A78 WeakPolarHBondContact O-CA 3.39Å; V4-A78 WeakPolarHBondContact O-CB 3.3Å
5S97.6Very high93.4Very high36 Ų3664 Ų6425%0.25230%0.302SS..  trans-79.3160.2169.173.80000111.1K7 R99 S130S5-K7 VanDerWaalsContact C-N 3.34Å; S5-R99 VanDerWaalsContact CA-O 3.27Å; S5-R99 WeakPolarHBondContact CA-O 3.35Å; S5-R99 WeakPolarHBondContact CB-O 3.43Å; S5-S130 VanDerWaalsContact CB-OG 3.32Å; S5-S130 WeakPolarHBondContact CB-OG 3.4Å
6T98.1Very high93.7Very high2 Ų262 Ų621%0.01230%0.304CS..Hα-helixtrans-80.9-12.7-179.245.80000113.4Q8 M9 L10 I46 A78 S100 S130T6-Q8 PolarHBondContact O-N 3.19Å; T6-M9 WeakPolarHBondContact O-CB 3.36Å; T6-M9 PolarHBondContact O-N 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.39Å; T6-L10 PolarHBondContact O-N 3.39Å; T6-I46 HydrophobicContact CG2-CD1 3.64Å; T6-I46 HydrophobicContact CG2-CG1 3.85Å; T6-I46 HydrophobicContact CG2-CG2 4.41Å; T6-A78 HydrophobicContact CG2-CB 3.62Å; T6-S100 WeakPolarHBondContact CG2-OG 3.41Å; T6-S100 PolarHBondContact OG1-OG 2.66Å; T6-S130 PolarHBondContact N-OG 3.09Å; T6-S130 WeakPolarHBondContact OG1-CB 3.36Å
7K97.8Very high94Very high97 Ų9761.8 Ų61.842%0.42232%0.322SS..Hα-helixtrans-51-57.9-174.7-172.1166.6-167.2141.60113.6S5 N11 S130 D170S5-K7 VanDerWaalsContact C-N 3.34Å; K7-N11 WeakPolarHBondContact O-CB 3.43Å; K7-N11 PolarHBondContact O-N 3.38Å; K7-N11 PolarHBondContact O-ND2 2.95Å; K7-S130 VanDerWaalsContact CB-OG 3.29Å; K7-S130 WeakPolarHBondContact CB-OG 3.49Å; K7-S130 PolarHBondContact N-OG 2.85Å; K7-D170 WeakPolarHBondContact CD-OD1 3.36Å; K7-D170 WeakPolarHBondContact CE-OD1 3.44Å; K7-D170 IonicContact NZ-OD1 3.94Å; K7-D170 PolarHBondContact NZ-OD1 3.25Å
8Q96.8Very high94.2Very high111 Ų11159.1 Ų59.152%0.51931%0.306SS..Hα-helixtrans-71.3-34.7-177.1-17462.71.200112.1T6 N11 N12T6-Q8 PolarHBondContact O-N 3.19Å; Q8-N11 PolarHBondContact O-N 2.81Å; Q8-N12 PolarHBondContact NE2-OD1 2.74Å; Q8-N12 WeakPolarHBondContact O-CB 3.4Å; Q8-N12 VanDerWaalsContact O-CG 3.23Å; Q8-N12 PolarHBondContact O-N 3.19Å
9M97.4Very high94.5Very high23 Ų2355.9 Ų55.911%0.11329%0.29CS..Hα-helixtrans-59.8-47.6176.8-176.6-174.9-79.500111.2V4 T6 N12 A13 V20 P44 I46V4-M9 HydrophobicContact CG2-CE 4.45Å; T6-M9 WeakPolarHBondContact O-CB 3.36Å; T6-M9 PolarHBondContact O-N 3.3Å; M9-N12 PolarHBondContact O-N 3.28Å; M9-A13 PolarHBondContact O-N 3.2Å; M9-A13 VanDerWaalsContact O-N 3.1Å; M9-V20 HydrophobicContact CG-CG1 4.08Å; M9-V20 HydrophobicContact CG-CG2 3.84Å; M9-V20 HydrophobicContact SD-CG1 3.67Å; M9-P44 HydrophobicContact CG-CB 4.23Å; M9-I46 HydrophobicContact SD-CD1 4.16Å; M9-I46 HydrophobicContact SD-CG1 3.59Å; M9-I46 VanDerWaalsContact SD-CG1 3.59Å
10L98.7Very high94.7Very high3 Ų353.2 Ų53.22%0.01628%0.276CS..Hα-helixtrans-74.4-33.8178.3-62.6-176.9000112.9T6 N12 A13 Q14 V20 I46 P204 K228T6-L10 WeakPolarHBondContact O-CG 3.39Å; T6-L10 PolarHBondContact O-N 3.39Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.47Å; L10-A13 WeakPolarHBondContact O-CB 3.34Å; L10-A13 PolarHBondContact O-N 3.22Å; L10-Q14 WeakPolarHBondContact O-CB 3.48Å; L10-Q14 PolarHBondContact O-N 3.35Å; L10-V20 HydrophobicContact CD2-CB 4.1Å; L10-V20 HydrophobicContact CD2-CG2 4.2Å; L10-I46 HydrophobicContact CD2-CD1 4.26Å; L10-P204 HydrophobicContact CB-CB 3.8Å; L10-P204 HydrophobicContact CB-CG 3.81Å; L10-P204 HydrophobicContact CD1-CB 4.37Å; L10-K228 HydrophobicContact CD2-CB 3.84Å
11N98.3Very high94.9Very high41 Ų4150.6 Ų50.622%0.21926%0.263CS..Hα-helixtrans-65.3-35.9172.4-74-22.6000112.3K7 Q8 R15K7-N11 WeakPolarHBondContact O-CB 3.43Å; K7-N11 PolarHBondContact O-N 3.38Å; K7-N11 PolarHBondContact O-ND2 2.95Å; Q8-N11 PolarHBondContact O-N 2.81Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.16Å; N11-R15 VanDerWaalsContact O-N 3.12Å
12N98.3Very high97Very high62 Ų6241.5 Ų41.533%0.33222%0.218SC..Hα-helixtrans-64.8-44.4172-75.3-14.8000110.9Q8 M9 L10 Q14 R15 G16 Y18Q8-N12 PolarHBondContact NE2-OD1 2.74Å; Q8-N12 WeakPolarHBondContact O-CB 3.4Å; Q8-N12 VanDerWaalsContact O-CG 3.23Å; Q8-N12 PolarHBondContact O-N 3.19Å; M9-N12 PolarHBondContact O-N 3.28Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.47Å; N12-Q14 PolarHBondContact O-N 2.91Å; N12-R15 PolarHBondContact O-N 2.79Å; N12-R15 PolarHBondContact OD1-NH2 2.88Å; N12-G16 PolarHBondContact O-N 2.84Å; N12-Y18 WeakPolarHBondContact CB-OH 3.41Å
13A98.7Very high97.9Very high0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-57.5-48176.400000112.1M9 L10 R15 G16 G17 Y18 V20 C227M9-A13 PolarHBondContact O-N 3.2Å; M9-A13 VanDerWaalsContact O-N 3.1Å; L10-A13 WeakPolarHBondContact O-CB 3.34Å; L10-A13 PolarHBondContact O-N 3.22Å; A13-R15 PolarHBondContact O-N 2.79Å; A13-G16 PolarHBondContact O-N 3.22Å; A13-G17 PolarHBondContact O-N 3.3Å; A13-Y18 CarbonylContact C-O 3.31Å; A13-Y18 HydrophobicContact CB-CD2 3.84Å; A13-Y18 HydrophobicContact CB-CE2 3.58Å; A13-Y18 HydrophobicContact CB-CG 4.44Å; A13-Y18 WeakPolarHBondContact CB-O 3.45Å; A13-Y18 PolarHBondContact N-OH 3.12Å; A13-Y18 PolarHBondContact O-N 3.44Å; A13-Y18 VanDerWaalsContact O-N 3.16Å; A13-V20 HydrophobicContact CB-CG2 3.82Å; A13-C227 HydrophobicContact CB-CB 4.25Å
14Q98.4Very high98.1Very high67 Ų6735.8 Ų35.831%0.31319%0.194SC..Hα-helixtrans-59.7-46177.1-166.4178.233.800112.6L10 N12 G16 R198 N202 C227L10-Q14 WeakPolarHBondContact O-CB 3.48Å; L10-Q14 PolarHBondContact O-N 3.35Å; N12-Q14 PolarHBondContact O-N 2.91Å; Q14-G16 VanDerWaalsContact C-N 3.35Å; Q14-R198 VanDerWaalsContact NE2-NH1 3.19Å; Q14-N202 PolarHBondContact NE2-O 3.3Å; Q14-C227 VanDerWaalsContact CB-SG 3.54Å
15R98Very high98.2Very high159 Ų15933.7 Ų33.760%0.618%0.181SC*.Hα-helixtrans-68.1-34.2177.3-74.4-171.3-66.4-91.42.1113N11 N12 A13N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.16Å; N11-R15 VanDerWaalsContact O-N 3.12Å; N12-R15 PolarHBondContact O-N 2.79Å; N12-R15 PolarHBondContact OD1-NH2 2.88Å; A13-R15 PolarHBondContact O-N 2.79Å
16G98Very high98.1Very high32 Ų3234.4 Ų34.433%0.3318%0.18SC..Hα-helixtrans-86.1-10.3-175.500000114.6N12 A13 Q14N12-G16 PolarHBondContact O-N 2.84Å; A13-G16 PolarHBondContact O-N 3.22Å; Q14-G16 VanDerWaalsContact C-N 3.35Å
17G97.9Very high98.1Very high59 Ų5936.4 Ų36.461%0.60819%0.191SC*.THydrogen-bonded Turntrans69.337-177.700000113.4A13A13-G17 PolarHBondContact O-N 3.3Å
18Y98.7Very high98.1Very high12 Ų1235 Ų355%0.04719%0.187CC..  trans-132.2172.8175.966.5-92.2000110.3N12 A13 V20 P44 C278 G279 C280 R283N12-Y18 WeakPolarHBondContact CB-OH 3.41Å; A13-Y18 CarbonylContact C-O 3.31Å; A13-Y18 HydrophobicContact CB-CD2 3.84Å; A13-Y18 HydrophobicContact CB-CE2 3.58Å; A13-Y18 HydrophobicContact CB-CG 4.44Å; A13-Y18 WeakPolarHBondContact CB-O 3.45Å; A13-Y18 PolarHBondContact N-OH 3.12Å; A13-Y18 PolarHBondContact O-N 3.44Å; A13-Y18 VanDerWaalsContact O-N 3.16Å; Y18-V20 HydrophobicContact CE2-CG2 4.06Å; Y18-P44 HydrophobicContact CE2-CG 3.87Å; Y18-C278 WeakPolarHBondContact CB-O 3.45Å; Y18-G279 WeakPolarHBondContact CB-O 3.43Å; Y18-C280 HydrophobicContact CD2-CB 3.57Å; Y18-C280 HydrophobicContact CE2-CB 4.13Å; Y18-C280 HydrophobicContact CG-CB 4.3Å; Y18-R283 HydrophobicContact CD1-CG 4.06Å; Y18-R283 HydrophobicContact CD2-CG 4.49Å; Y18-R283 HydrophobicContact CE1-CB 4.04Å; Y18-R283 HydrophobicContact CE1-CG 3.96Å; Y18-R283 HydrophobicContact CE2-CB 4.01Å; Y18-R283 HydrophobicContact CE2-CG 4.4Å; Y18-R283 HydrophobicContact CG-CG 4.33Å
19A98.8Very high98.1Very high0 Ų031.8 Ų31.80%017%0.172CC..  trans-117.8156.9170.500000112.4I222 C227 I229 C278 C280A19-I222 HydrophobicContact CB-CD1 3.81Å; A19-I222 HydrophobicContact CB-CG1 3.79Å; A19-C227 CarbonylContact C-O 3.55Å; A19-C227 VanDerWaalsContact CA-O 3.28Å; A19-C227 WeakPolarHBondContact CA-O 3.31Å; A19-I229 HydrophobicContact CB-CG1 3.78Å; A19-C278 HydrophobicContact CB-CB 4.43Å; A19-C278 PolarHBondContact N-O 3.48Å; A19-C278 WeakPolarHBondContact O-CB 3.44Å; A19-C280 VanDerWaalsContact O-CB 3.24Å; A19-C280 WeakPolarHBondContact O-CB 3.24Å
20V98.8Very high98.1Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-101.7120.3175.3179.90000107.9M9 L10 A13 Y18 P44 I46 C227 K228 I229M9-V20 HydrophobicContact CG-CG1 4.08Å; M9-V20 HydrophobicContact CG-CG2 3.84Å; M9-V20 HydrophobicContact SD-CG1 3.67Å; L10-V20 HydrophobicContact CD2-CB 4.1Å; L10-V20 HydrophobicContact CD2-CG2 4.2Å; A13-V20 HydrophobicContact CB-CG2 3.82Å; Y18-V20 HydrophobicContact CE2-CG2 4.06Å; V20-P44 HydrophobicContact CG1-CB 4.25Å; V20-P44 HydrophobicContact CG2-CB 4.23Å; V20-P44 HydrophobicContact CG2-CG 4Å; V20-I46 HydrophobicContact CB-CD1 4.38Å; V20-I46 HydrophobicContact CG1-CD1 3.82Å; V20-I46 HydrophobicContact CG1-CG1 3.78Å; V20-C227 PolarHBondContact N-O 2.9Å; V20-K228 VanDerWaalsContact O-CA 3.29Å; V20-K228 WeakPolarHBondContact O-CA 3.23Å; V20-I229 PolarHBondContact O-N 2.59Å; V20-I229 VanDerWaalsContact O-N 3.14Å
21P98.6Very high98.1Very high0 Ų030.8 Ų30.80%017%0.168CC..EExtended strand (participates in β ladder)trans-72.3134.8175.930.1-34.8000110.9F23 P44 I46 I229 V274 I275P21-F23 HydrophobicContact CB-CD2 4.23Å; P21-F23 HydrophobicContact CB-CE2 3.55Å; P21-F23 HydrophobicContact CB-CZ 3.82Å; P21-F23 HydrophobicContact CG-CE2 3.77Å; P21-F23 HydrophobicContact CG-CZ 4.29Å; P21-P44 WeakPolarHBondContact CD-O 3.36Å; P21-I46 PolarHBondContact O-N 3.45Å; P21-I229 WeakPolarHBondContact CA-O 3.2Å; P21-V274 HydrophobicContact CB-CG1 3.67Å; P21-I275 HydrophobicContact CG-CG1 3.96Å
22A98.7Very high98.1Very high0 Ų031.4 Ų31.40%017%0.169CC..EExtended strand (participates in β ladder)trans-110.9116.417000000108.6I46 A48 K228 I229 N230 V231A22-I46 WeakPolarHBondContact CA-O 3.25Å; A22-I46 HydrophobicContact CB-CB 3.77Å; A22-I46 HydrophobicContact CB-CD1 4.37Å; A22-I46 HydrophobicContact CB-CG2 3.96Å; A22-A48 HydrophobicContact CB-CB 4.33Å; A22-K228 HydrophobicContact CB-CD 4.27Å; A22-K228 VanDerWaalsContact CB-CE 3.45Å; A22-K228 HydrophobicContact CB-CG 4.14Å; A22-I229 PolarHBondContact N-O 2.81Å; A22-N230 VanDerWaalsContact CB-OD1 3.3Å; A22-N230 WeakPolarHBondContact CB-OD1 3.13Å; A22-V231 PolarHBondContact O-N 3.46Å
23F98.5Very high98.1Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-105.8124.8-178-65.8-80.2000110.1P21 I25 V34 V45 I46 A48 V231 L235 V271 V274P21-F23 HydrophobicContact CB-CD2 4.23Å; P21-F23 HydrophobicContact CB-CE2 3.55Å; P21-F23 HydrophobicContact CB-CZ 3.82Å; P21-F23 HydrophobicContact CG-CE2 3.77Å; P21-F23 HydrophobicContact CG-CZ 4.29Å; F23-I25 PolarHBondContact O-N 3.48Å; F23-V34 HydrophobicContact CB-CG1 4.06Å; F23-V34 HydrophobicContact CB-CG2 3.73Å; F23-V34 HydrophobicContact CD2-CG1 3.64Å; F23-V34 HydrophobicContact CD2-CG2 4.2Å; F23-V34 HydrophobicContact CE2-CG1 4.44Å; F23-V34 HydrophobicContact CG-CG1 4.16Å; F23-V34 HydrophobicContact CG-CG2 3.98Å; F23-V45 HydrophobicContact CD2-CG2 3.68Å; F23-V45 HydrophobicContact CE2-CG2 3.96Å; F23-I46 PolarHBondContact N-O 3.48Å; F23-A48 PolarHBondContact O-N 3.49Å; F23-V231 WeakPolarHBondContact CA-O 3.32Å; F23-V231 HydrophobicContact CD1-CB 3.83Å; F23-V231 HydrophobicContact CD1-CG1 3.98Å; F23-V231 HydrophobicContact CE1-CB 4.02Å; F23-V231 HydrophobicContact CE1-CG1 4.04Å; F23-V231 HydrophobicContact CE1-CG2 4.43Å; F23-L235 HydrophobicContact CB-CD2 4.1Å; F23-L235 HydrophobicContact CD1-CD1 4.4Å; F23-L235 HydrophobicContact CD1-CD2 4.25Å; F23-V271 HydrophobicContact CD1-CG2 4.39Å; F23-V271 HydrophobicContact CE1-CB 4.49Å; F23-V271 HydrophobicContact CE1-CG2 4.08Å; F23-V271 HydrophobicContact CE2-CG1 3.9Å; F23-V271 HydrophobicContact CZ-CB 4.16Å; F23-V271 HydrophobicContact CZ-CG1 3.87Å; F23-V271 HydrophobicContact CZ-CG2 4.15Å; F23-V274 HydrophobicContact CE1-CB 3.92Å; F23-V274 HydrophobicContact CE1-CG1 3.79Å; F23-V274 HydrophobicContact CE1-CG2 4.15Å; F23-V274 HydrophobicContact CZ-CB 3.73Å; F23-V274 HydrophobicContact CZ-CG1 3.52Å; F23-V274 HydrophobicContact CZ-CG2 4.46Å
24N98.1Very high98.1Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-71.9108.9170.9-85.3-20.4000110H26 A48 G49 D82 E142 V231 A232N24-H26 PolarHBondContact O-CE1 3.39Å; N24-H26 PolarHBondContact O-ND1 2.62Å; N24-H26 VanDerWaalsContact O-ND1 3.15Å; N24-A48 WeakPolarHBondContact CA-O 3.38Å; N24-A48 WeakPolarHBondContact OD1-CB 3.23Å; N24-A48 PolarHBondContact OD1-O 3.22Å; N24-G49 PolarHBondContact OD1-N 3.13Å; N24-D82 PolarHBondContact ND2-OD2 3.45Å; N24-D82 PolarHBondContact OD1-OD2 2.97Å; N24-E142 PolarHBondContact ND2-OE1 2.89Å; N24-V231 PolarHBondContact N-O 3.43Å; N24-A232 HydrophobicContact CB-CB 3.81Å
25I97.9Very high98.1Very high3 Ų325.2 Ų25.22%0.01514%0.139CC..  trans-84.4156.5174.564.684.7000109.8F23 M31 V34 I47 A48 T53 L62F23-I25 PolarHBondContact O-N 3.48Å; I25-M31 HydrophobicContact CB-CB 4.44Å; I25-M31 HydrophobicContact CD1-CE 3.98Å; I25-M31 HydrophobicContact CG1-CE 4.29Å; I25-M31 HydrophobicContact CG2-CB 4.24Å; I25-V34 HydrophobicContact CG2-CG2 4.33Å; I25-I47 HydrophobicContact CB-CG2 4.49Å; I25-I47 HydrophobicContact CG1-CG2 3.69Å; I25-I47 HydrophobicContact CG2-CG2 3.95Å; I25-A48 PolarHBondContact N-O 3.14Å; I25-T53 HydrophobicContact CD1-CG2 3.82Å; I25-T53 WeakPolarHBondContact O-CG2 3.27Å; I25-T53 PolarHBondContact O-OG1 2.84Å; I25-L62 HydrophobicContact CD1-CD2 3.76Å
26H96.7Very high98.1Very high52 Ų5219.6 Ų19.624%0.24112%0.119CC..  trans-132.1-12.3-178.4-60.679.5000113.1N24 T30 K236N24-H26 PolarHBondContact O-CE1 3.39Å; N24-H26 PolarHBondContact O-ND1 2.62Å; N24-H26 VanDerWaalsContact O-ND1 3.15Å; H26-T30 PolarHBondContact N-OG1 3.39Å; H26-K236 VanDerWaalsContact CE1-CG 3.43Å; H26-K236 WeakPolarHBondContact CE1-CG 3.29Å; H26-K236 WeakPolarHBondContact NE2-CD 3.34Å
27N96.4Very high98.1Very high44 Ų4418.3 Ų18.324%0.23511%0.105CC..SBendtrans-163-176-179.561.213.3000110.4E29 T30 M31N27-E29 PolarHBondContact ND2-OE2 3.42Å; N27-E29 PolarHBondContact OD1-N 3.22Å; N27-T30 PolarHBondContact N-OG1 2.87Å; N27-T30 PolarHBondContact O-OG1 2.95Å; N27-T30 VanDerWaalsContact OD1-CB 3.3Å; N27-T30 WeakPolarHBondContact OD1-CB 3.36Å; N27-T30 WeakPolarHBondContact OD1-CG2 3.24Å; N27-T30 PolarHBondContact OD1-N 3Å; N27-T30 PolarHBondContact OD1-OG1 3.22Å; N27-M31 PolarHBondContact O-N 3.32Å
28L97.4Very high98.2Very high66 Ų6615.5 Ų15.535%0.3468%0.076SC..Hα-helixtrans-62.4-44177.3175.159.7000112.1T30 M31 Q32 L65L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 2.98Å; L28-M31 PolarHBondContact O-N 3.07Å; L28-Q32 HydrophobicContact CD1-CG 4.05Å; L28-Q32 HydrophobicContact CG-CG 4.25Å; L28-Q32 WeakPolarHBondContact O-CB 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 3.4Å; L28-L65 HydrophobicContact CD1-CD1 4.15Å; L28-L65 HydrophobicContact CD1-CD2 3.82Å
29E97.8Very high98.1Very high44 Ų4415.5 Ų15.521%0.2068%0.079CC..Hα-helixtrans-65.1-39.5-173.9-68.368.8-150.400111.7N27 Q32 V33 F239 L260 K264N27-E29 PolarHBondContact ND2-OE2 3.42Å; N27-E29 PolarHBondContact OD1-N 3.22Å; E29-Q32 WeakPolarHBondContact O-CB 3.11Å; E29-Q32 PolarHBondContact O-N 2.9Å; E29-V33 WeakPolarHBondContact O-CG2 3.38Å; E29-V33 PolarHBondContact O-N 2.81Å; E29-F239 HydrophobicContact CB-CE2 4.26Å; E29-L260 HydrophobicContact CG-CB 4.15Å; E29-L260 HydrophobicContact CG-CD1 3.96Å; E29-L260 HydrophobicContact CG-CD2 4.21Å; E29-L260 HydrophobicContact CG-CG 4.33Å; E29-K264 HydrophobicContact CB-CD 4.16Å; E29-K264 HydrophobicContact CB-CG 3.99Å; E29-K264 HydrophobicContact CG-CD 4.36Å
30T97.7Very high98.1Very high6 Ų621.2 Ų21.24%0.03711%0.109CC..Hα-helixtrans-65.3-43.117554.50000111.2H26 N27 L28 V33 V34 F239 M267H26-T30 PolarHBondContact N-OG1 3.39Å; N27-T30 PolarHBondContact N-OG1 2.87Å; N27-T30 PolarHBondContact O-OG1 2.95Å; N27-T30 VanDerWaalsContact OD1-CB 3.3Å; N27-T30 WeakPolarHBondContact OD1-CB 3.36Å; N27-T30 WeakPolarHBondContact OD1-CG2 3.24Å; N27-T30 PolarHBondContact OD1-N 3Å; N27-T30 PolarHBondContact OD1-OG1 3.22Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 2.98Å; T30-V33 PolarHBondContact O-N 3.21Å; T30-V34 VanDerWaalsContact O-CG2 3.3Å; T30-V34 WeakPolarHBondContact O-CG2 3.41Å; T30-V34 PolarHBondContact O-N 3.47Å; T30-V34 VanDerWaalsContact O-N 3.13Å; T30-F239 HydrophobicContact CG2-CD2 4.21Å; T30-F239 HydrophobicContact CG2-CE2 4.43Å; T30-M267 VanDerWaalsContact CA-CE 3.48Å; T30-M267 HydrophobicContact CG2-CE 3.51Å; T30-M267 HydrophobicContact CG2-SD 3.55Å; T30-M267 VanDerWaalsContact CG2-SD 3.55Å
31M98.4Very high98.1Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-62.6-43.5173.8-171.4-173.7-62.900111.9I25 N27 L28 V33 V34 V35 I47 L62 L65 V66 M69I25-M31 HydrophobicContact CB-CB 4.44Å; I25-M31 HydrophobicContact CD1-CE 3.98Å; I25-M31 HydrophobicContact CG1-CE 4.29Å; I25-M31 HydrophobicContact CG2-CB 4.24Å; N27-M31 PolarHBondContact O-N 3.32Å; L28-M31 PolarHBondContact O-N 3.07Å; M31-V33 PolarHBondContact O-N 3.31Å; M31-V34 PolarHBondContact O-N 2.99Å; M31-V35 HydrophobicContact CG-CG2 4.3Å; M31-V35 WeakPolarHBondContact O-CG2 3.34Å; M31-V35 PolarHBondContact O-N 2.86Å; M31-I47 HydrophobicContact CE-CG2 4.31Å; M31-I47 HydrophobicContact CG-CG2 4.38Å; M31-L62 HydrophobicContact CE-CD2 3.71Å; M31-L65 HydrophobicContact CE-CB 4.12Å; M31-L65 HydrophobicContact CE-CD1 4.38Å; M31-L65 HydrophobicContact SD-CB 3.65Å; M31-V66 HydrophobicContact CE-CG2 3.88Å; M31-V66 HydrophobicContact SD-CG2 3.81Å; M31-M69 HydrophobicContact CG-CE 4.49Å; M31-M69 HydrophobicContact CG-SD 3.77Å; M31-M69 HydrophobicContact SD-SD 3.72Å
32Q98.3Very high98.1Very high53 Ų5329.6 Ų29.625%0.24815%0.149CC..Hα-helixtrans-54-53.4175.6-80.2-179.9-11.700111.8L28 E29 V34 V35 E36 M69L28-Q32 HydrophobicContact CD1-CG 4.05Å; L28-Q32 HydrophobicContact CG-CG 4.25Å; L28-Q32 WeakPolarHBondContact O-CB 3.31Å; L28-Q32 WeakPolarHBondContact O-CG 3.49Å; L28-Q32 PolarHBondContact O-N 3.4Å; E29-Q32 WeakPolarHBondContact O-CB 3.11Å; E29-Q32 PolarHBondContact O-N 2.9Å; Q32-V34 PolarHBondContact O-N 2.88Å; Q32-V35 PolarHBondContact O-N 3.49Å; Q32-E36 WeakPolarHBondContact O-CB 3.47Å; Q32-E36 VanDerWaalsContact O-CD 3.31Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.5Å; Q32-M69 HydrophobicContact CB-CE 4.4Å; Q32-M69 HydrophobicContact CG-CE 4.15Å
33V98.4Very high98Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-62.1-45.2-178.9176.50000111.9E29 T30 M31 T37 K264 M267 R268 V271E29-V33 WeakPolarHBondContact O-CG2 3.38Å; E29-V33 PolarHBondContact O-N 2.81Å; T30-V33 PolarHBondContact O-N 3.21Å; M31-V33 PolarHBondContact O-N 3.31Å; V33-T37 WeakPolarHBondContact O-CB 3.25Å; V33-T37 PolarHBondContact O-N 3.1Å; V33-T37 PolarHBondContact O-OG1 2.65Å; V33-K264 HydrophobicContact CG2-CB 3.39Å; V33-K264 HydrophobicContact CG2-CD 4.09Å; V33-K264 VanDerWaalsContact CG2-CE 3.5Å; V33-K264 HydrophobicContact CG2-CG 3.47Å; V33-K264 VanDerWaalsContact CG2-CG 3.47Å; V33-K264 WeakPolarHBondContact CG2-O 3.4Å; V33-M267 HydrophobicContact CB-CB 4.35Å; V33-M267 HydrophobicContact CB-CE 4.33Å; V33-M267 HydrophobicContact CG1-CB 3.77Å; V33-M267 HydrophobicContact CG2-CB 4.4Å; V33-R268 HydrophobicContact CG1-CB 4Å; V33-V271 HydrophobicContact CG1-CG2 4.3Å
34V98.6Very high98Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-60-51.3-178.6170.30000110.6F23 I25 T30 M31 Q32 A38 V45 I47 L235 V271F23-V34 HydrophobicContact CB-CG1 4.06Å; F23-V34 HydrophobicContact CB-CG2 3.73Å; F23-V34 HydrophobicContact CD2-CG1 3.64Å; F23-V34 HydrophobicContact CD2-CG2 4.2Å; F23-V34 HydrophobicContact CE2-CG1 4.44Å; F23-V34 HydrophobicContact CG-CG1 4.16Å; F23-V34 HydrophobicContact CG-CG2 3.98Å; I25-V34 HydrophobicContact CG2-CG2 4.33Å; T30-V34 VanDerWaalsContact O-CG2 3.3Å; T30-V34 WeakPolarHBondContact O-CG2 3.41Å; T30-V34 PolarHBondContact O-N 3.47Å; T30-V34 VanDerWaalsContact O-N 3.13Å; M31-V34 PolarHBondContact O-N 2.99Å; Q32-V34 PolarHBondContact O-N 2.88Å; V34-A38 VanDerWaalsContact O-CB 3.27Å; V34-A38 WeakPolarHBondContact O-CB 3.5Å; V34-A38 PolarHBondContact O-N 3.14Å; V34-V45 HydrophobicContact CG1-CG2 3.57Å; V34-I47 HydrophobicContact CB-CD1 4.27Å; V34-I47 HydrophobicContact CG1-CD1 3.51Å; V34-L235 HydrophobicContact CG2-CD2 4.2Å; V34-V271 HydrophobicContact CG2-CG2 3.99Å
35V98.5Very high98Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-70.6-45.1-177.7178.10000111.8M31 Q32 T37 A38 A39 I47 M69 Y73 L77M31-V35 HydrophobicContact CG-CG2 4.3Å; M31-V35 WeakPolarHBondContact O-CG2 3.34Å; M31-V35 PolarHBondContact O-N 2.86Å; Q32-V35 PolarHBondContact O-N 3.49Å; V35-T37 VanDerWaalsContact C-N 3.3Å; V35-T37 PolarHBondContact O-N 3.01Å; V35-A38 PolarHBondContact O-N 3.16Å; V35-A39 WeakPolarHBondContact O-CB 3.49Å; V35-A39 PolarHBondContact O-N 2.97Å; V35-I47 HydrophobicContact CG2-CD1 3.68Å; V35-I47 HydrophobicContact CG2-CG1 4.3Å; V35-M69 HydrophobicContact CB-CE 3.47Å; V35-M69 VanDerWaalsContact CB-CE 3.47Å; V35-M69 HydrophobicContact CG1-CB 4.14Å; V35-M69 HydrophobicContact CG1-CE 3.91Å; V35-M69 HydrophobicContact CG2-CE 3.76Å; V35-M69 HydrophobicContact CG2-SD 4.3Å; V35-Y73 HydrophobicContact CG1-CD2 3.63Å; V35-Y73 HydrophobicContact CG1-CE2 4.09Å; V35-Y73 HydrophobicContact CG1-CG 4.4Å; V35-L77 HydrophobicContact CB-CD1 4.47Å; V35-L77 HydrophobicContact CG1-CD1 3.87Å; V35-L77 HydrophobicContact CG1-CD2 4.42Å; V35-L77 HydrophobicContact CG2-CD1 3.68Å; V35-L77 HydrophobicContact CG2-CD2 4.24Å
36E98.4Very high98.1Very high40 Ų4029.8 Ų29.819%0.18715%0.15CC..Hα-helixtrans-57.2-45.8179-79162.8-157.700111Q32 N40 Y73 K264Q32-E36 WeakPolarHBondContact O-CB 3.47Å; Q32-E36 VanDerWaalsContact O-CD 3.31Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.5Å; E36-N40 WeakPolarHBondContact O-CB 3.5Å; E36-N40 PolarHBondContact O-N 2.85Å; E36-N40 PolarHBondContact O-ND2 2.89Å; E36-N40 VanDerWaalsContact O-ND2 3.14Å; E36-Y73 HydrophobicContact CG-CE1 4.46Å; E36-Y73 HydrophobicContact CG-CE2 4.24Å; E36-Y73 WeakPolarHBondContact CG-OH 3.44Å; E36-K264 IonicContact OE1-NZ 2.93Å; E36-K264 IonicContact OE2-NZ 3.9Å; E36-K264 PolarHBondContact OE2-NZ 2.82Å
37T98.6Very high98.2Very high6 Ų627.3 Ų27.34%0.03714%0.139CC..Hα-helixtrans-68.5-47-178.6-51.40000111.2V33 V35 A39 N40 L41 R268 V271 S272 I275V33-T37 WeakPolarHBondContact O-CB 3.25Å; V33-T37 PolarHBondContact O-N 3.1Å; V33-T37 PolarHBondContact O-OG1 2.65Å; V35-T37 VanDerWaalsContact C-N 3.3Å; V35-T37 PolarHBondContact O-N 3.01Å; T37-A39 PolarHBondContact O-N 2.82Å; T37-N40 PolarHBondContact O-N 3.26Å; T37-L41 HydrophobicContact CG2-CD1 4.06Å; T37-L41 WeakPolarHBondContact O-CG 3.23Å; T37-L41 PolarHBondContact O-N 3.4Å; T37-R268 HydrophobicContact CG2-CG 4.25Å; T37-V271 HydrophobicContact CG2-CB 4.13Å; T37-V271 HydrophobicContact CG2-CG1 3.71Å; T37-S272 WeakPolarHBondContact CG2-OG 3.22Å; T37-I275 HydrophobicContact CG2-CD1 4.44Å
38A98.5Very high98.3Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-61.6-41.7177.600000112.5V34 V35 L41 H42 A43 V45 I275V34-A38 VanDerWaalsContact O-CB 3.27Å; V34-A38 WeakPolarHBondContact O-CB 3.5Å; V34-A38 PolarHBondContact O-N 3.14Å; V35-A38 PolarHBondContact O-N 3.16Å; A38-L41 CarbonylContact O-C 3.55Å; A38-L41 PolarHBondContact O-N 3.26Å; A38-H42 PolarHBondContact O-N 3.35Å; A38-A43 PolarHBondContact O-N 3.34Å; A38-V45 HydrophobicContact CB-CB 3.67Å; A38-V45 HydrophobicContact CB-CG1 3.49Å; A38-V45 VanDerWaalsContact CB-CG1 3.49Å; A38-V45 HydrophobicContact CB-CG2 4.26Å; A38-I275 HydrophobicContact CB-CD1 4.13Å
39A98Very high98.3Very high12 Ų1222.2 Ų22.210%0.09911%0.112CC..Hα-helixtrans-63.3-45.7176.600000111.9V35 T37 L41 H42 Y73V35-A39 WeakPolarHBondContact O-CB 3.49Å; V35-A39 PolarHBondContact O-N 2.97Å; T37-A39 PolarHBondContact O-N 2.82Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 3.19Å; A39-H42 PolarHBondContact O-N 3.45Å; A39-H42 VanDerWaalsContact O-N 3.08Å; A39-Y73 HydrophobicContact CB-CD1 3.73Å; A39-Y73 HydrophobicContact CB-CG 3.82Å
40N98.2Very high98.3Very high119 Ų11920.1 Ų20.164%0.63610%0.103SC*.Hα-helixtrans-62-36.1177.8-71.9-23.4000112.5E36 T37 H42E36-N40 WeakPolarHBondContact O-CB 3.5Å; E36-N40 PolarHBondContact O-N 2.85Å; E36-N40 PolarHBondContact O-ND2 2.89Å; E36-N40 VanDerWaalsContact O-ND2 3.14Å; T37-N40 PolarHBondContact O-N 3.26Å; N40-H42 VanDerWaalsContact C-N 3.3Å; N40-H42 PolarHBondContact O-ND1 3.1Å
41L98.4Very high98.3Very high51 Ų5121.8 Ų21.827%0.26711%0.114SC..THydrogen-bonded Turntrans-85.90.8177.5-63.9176.2000113.5T37 A38 A39 A43 I275 G282T37-L41 HydrophobicContact CG2-CD1 4.06Å; T37-L41 WeakPolarHBondContact O-CG 3.23Å; T37-L41 PolarHBondContact O-N 3.4Å; A38-L41 CarbonylContact O-C 3.55Å; A38-L41 PolarHBondContact O-N 3.26Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 3.19Å; L41-A43 HydrophobicContact CB-CB 4.21Å; L41-A43 PolarHBondContact O-N 3.1Å; L41-A43 VanDerWaalsContact O-N 3.17Å; L41-I275 HydrophobicContact CB-CG2 4.38Å; L41-I275 HydrophobicContact CD1-CB 4.19Å; L41-I275 HydrophobicContact CD1-CD1 3.94Å; L41-I275 HydrophobicContact CD1-CG2 3.79Å; L41-G282 PolarHBondContact O-N 3.32Å
42H97.6Very high98.3Very high126 Ų12623.4 Ų23.458%0.58313%0.131SC*.THydrogen-bonded Turntrans48.339.4-173.4-54.785.1000112.1A38 A39 N40 G282 R283 A284A38-H42 PolarHBondContact O-N 3.35Å; A39-H42 PolarHBondContact O-N 3.45Å; A39-H42 VanDerWaalsContact O-N 3.08Å; N40-H42 VanDerWaalsContact C-N 3.3Å; N40-H42 PolarHBondContact O-ND1 3.1Å; H42-G282 CarbonylContact O-C 3.54Å; H42-G282 VanDerWaalsContact O-C 3.31Å; H42-G282 VanDerWaalsContact O-CA 3.23Å; H42-G282 WeakPolarHBondContact O-CA 3.48Å; H42-G282 PolarHBondContact O-N 3.37Å; H42-G282 VanDerWaalsContact O-N 3.13Å; H42-R283 PolarHBondContact O-N 3.01Å; H42-A284 VanDerWaalsContact O-CB 3.24Å; H42-A284 WeakPolarHBondContact O-CB 3.41Å; H42-A284 PolarHBondContact O-N 3.15Å
43A98.4Very high98.2Very high0 Ų021.2 Ų21.20%012%0.121CC..  trans-105.6136.3-17500000110.6A38 L41 H75 I275 C280A38-A43 PolarHBondContact O-N 3.34Å; L41-A43 HydrophobicContact CB-CB 4.21Å; L41-A43 PolarHBondContact O-N 3.1Å; L41-A43 VanDerWaalsContact O-N 3.17Å; A43-H75 PolarHBondContact O-CE1 3.49Å; A43-H75 PolarHBondContact O-NE2 2.89Å; A43-H75 VanDerWaalsContact O-NE2 3.07Å; A43-I275 HydrophobicContact CB-CD1 4.15Å; A43-I275 HydrophobicContact CB-CG1 4.28Å; A43-I275 HydrophobicContact CB-CG2 3.54Å; A43-C280 WeakPolarHBondContact CA-O 3.16Å
44P98.2Very high98.2Very high6 Ų621.5 Ų21.54%0.03912%0.122CC..  trans-66.2141.4175.429.4-32.7000109.6M9 Y18 V20 P21 C280 R283M9-P44 HydrophobicContact CG-CB 4.23Å; Y18-P44 HydrophobicContact CE2-CG 3.87Å; V20-P44 HydrophobicContact CG1-CB 4.25Å; V20-P44 HydrophobicContact CG2-CB 4.23Å; V20-P44 HydrophobicContact CG2-CG 4Å; P21-P44 WeakPolarHBondContact CD-O 3.36Å; P44-C280 VanDerWaalsContact CD-O 3.22Å; P44-C280 WeakPolarHBondContact CD-O 3.38Å; P44-C280 HydrophobicContact CG-CB 4.07Å; P44-R283 HydrophobicContact CG-CB 4.29Å
45V98.6Very high98.2Very high0 Ų027 Ų270%016%0.156CC..  trans-143.1147.1-179.470.50000111.8F23 V34 A38 L77F23-V45 HydrophobicContact CD2-CG2 3.68Å; F23-V45 HydrophobicContact CE2-CG2 3.96Å; V34-V45 HydrophobicContact CG1-CG2 3.57Å; A38-V45 HydrophobicContact CB-CB 3.67Å; A38-V45 HydrophobicContact CB-CG1 3.49Å; A38-V45 VanDerWaalsContact CB-CG1 3.49Å; A38-V45 HydrophobicContact CB-CG2 4.26Å; V45-L77 HydrophobicContact CG1-CD2 3.57Å
46I98.8Very high98.1Very high0 Ų034.2 Ų34.20%019%0.189CC..EExtended strand (participates in β ladder)trans-110.2127.7172.9-62.3164.3000108.6T6 M9 L10 V20 P21 A22 F23 A48 A78 H80 K228T6-I46 HydrophobicContact CG2-CD1 3.64Å; T6-I46 HydrophobicContact CG2-CG1 3.85Å; T6-I46 HydrophobicContact CG2-CG2 4.41Å; M9-I46 HydrophobicContact SD-CD1 4.16Å; M9-I46 HydrophobicContact SD-CG1 3.59Å; M9-I46 VanDerWaalsContact SD-CG1 3.59Å; L10-I46 HydrophobicContact CD2-CD1 4.26Å; V20-I46 HydrophobicContact CB-CD1 4.38Å; V20-I46 HydrophobicContact CG1-CD1 3.82Å; V20-I46 HydrophobicContact CG1-CG1 3.78Å; P21-I46 PolarHBondContact O-N 3.45Å; A22-I46 WeakPolarHBondContact CA-O 3.25Å; A22-I46 HydrophobicContact CB-CB 3.77Å; A22-I46 HydrophobicContact CB-CD1 4.37Å; A22-I46 HydrophobicContact CB-CG2 3.96Å; F23-I46 PolarHBondContact N-O 3.48Å; I46-A48 PolarHBondContact O-N 3.42Å; I46-A78 HydrophobicContact CG1-CB 4.4Å; I46-A78 HydrophobicContact CG2-CB 4.48Å; I46-H80 HydrophobicContact CG2-CB 3.51Å; I46-K228 HydrophobicContact CD1-CD 4.06Å; I46-K228 HydrophobicContact CD1-CG 4.31Å
47I98.7Very high98.1Very high1 Ų133.6 Ų33.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-88.1103.3171.8-52-54.2000107.3I25 M31 V34 V35 V66 L77 A78 I79 H80I25-I47 HydrophobicContact CB-CG2 4.49Å; I25-I47 HydrophobicContact CG1-CG2 3.69Å; I25-I47 HydrophobicContact CG2-CG2 3.95Å; M31-I47 HydrophobicContact CE-CG2 4.31Å; M31-I47 HydrophobicContact CG-CG2 4.38Å; V34-I47 HydrophobicContact CB-CD1 4.27Å; V34-I47 HydrophobicContact CG1-CD1 3.51Å; V35-I47 HydrophobicContact CG2-CD1 3.68Å; V35-I47 HydrophobicContact CG2-CG1 4.3Å; I47-V66 HydrophobicContact CB-CG2 4.42Å; I47-V66 HydrophobicContact CG1-CG2 4.46Å; I47-V66 HydrophobicContact CG2-CG2 4.18Å; I47-L77 HydrophobicContact CG1-CD2 4.49Å; I47-A78 WeakPolarHBondContact CB-O 3.29Å; I47-A78 PolarHBondContact N-O 3.41Å; I47-I79 CarbonylContact O-C 3.57Å; I47-I79 VanDerWaalsContact O-CA 3.26Å; I47-I79 WeakPolarHBondContact O-CA 3.36Å; I47-H80 PolarHBondContact O-N 3.31Å
48A98.6Very high98.1Very high1 Ų134.5 Ų34.51%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-99.8154.6-17800000111.1A22 F23 N24 I25 I46 H80 D82A22-A48 HydrophobicContact CB-CB 4.33Å; F23-A48 PolarHBondContact O-N 3.49Å; N24-A48 WeakPolarHBondContact CA-O 3.38Å; N24-A48 WeakPolarHBondContact OD1-CB 3.23Å; N24-A48 PolarHBondContact OD1-O 3.22Å; I25-A48 PolarHBondContact N-O 3.14Å; I46-A48 PolarHBondContact O-N 3.42Å; A48-H80 HydrophobicContact CB-CB 4.34Å; A48-D82 HydrophobicContact CB-CB 4.4Å
49G98.2Very high98.1Very high1 Ų135.6 Ų35.61%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-157.9135.3174.100000111.6N24 F54 H80 D82N24-G49 PolarHBondContact OD1-N 3.13Å; G49-F54 WeakPolarHBondContact O-CD2 3.48Å; G49-F54 VanDerWaalsContact O-CE2 3.24Å; G49-F54 WeakPolarHBondContact O-CE2 3.43Å; G49-H80 PolarHBondContact N-O 3.31Å; G49-D82 PolarHBondContact O-N 2.92Å
50T97.9Very high98Very high1 Ų141.8 Ų41.81%0.00624%0.235CC..  trans-74.2170.1175.859.90000112.3G52 T53 F54 D82 E142 D143T50-G52 PolarHBondContact O-N 3.39Å; T50-T53 WeakPolarHBondContact O-CB 3.48Å; T50-T53 PolarHBondContact O-N 3.28Å; T50-T53 VanDerWaalsContact O-N 3.07Å; T50-T53 PolarHBondContact OG1-N 3.17Å; T50-T53 PolarHBondContact OG1-OG1 3.2Å; T50-T53 VanDerWaalsContact OG1-OG1 3.09Å; T50-F54 WeakPolarHBondContact O-CD2 3.43Å; T50-F54 PolarHBondContact O-N 3.27Å; T50-F54 VanDerWaalsContact O-N 3.09Å; T50-D82 WeakPolarHBondContact CA-O 3.49Å; T50-D82 HydrophobicContact CG2-CB 4.4Å; T50-E142 HydrophobicContact CG2-CG 4.46Å; T50-D143 WeakPolarHBondContact CB-OD2 3.4Å; T50-D143 PolarHBondContact OG1-OD1 3.35Å; T50-D143 PolarHBondContact OG1-OD2 3.27Å
51P97.9Very high98.1Very high41 Ų4141 Ų4127%0.26623%0.231SC..Hα-helixtrans-55.5-36.9175.5-25.736000113F54 T55 D82P51-F54 PolarHBondContact O-N 3.13Å; P51-T55 WeakPolarHBondContact O-CB 3.24Å; P51-T55 PolarHBondContact O-N 3.43Å; P51-T55 PolarHBondContact O-OG1 3.11Å; P51-D82 WeakPolarHBondContact CD-O 3.33Å
52G97Very high98.1Very high34 Ų3438.8 Ų38.835%0.35122%0.219SC..Hα-helixtrans-61.8-44.1175.700000112.1T50 T55 H56 D143T50-G52 PolarHBondContact O-N 3.39Å; G52-T55 PolarHBondContact O-N 3.29Å; G52-H56 VanDerWaalsContact O-CB 3.29Å; G52-H56 WeakPolarHBondContact O-CB 3.26Å; G52-H56 PolarHBondContact O-N 2.95Å; G52-D143 PolarHBondContact N-OD2 2.92Å
53T97.9Very high98.1Very high7 Ų733.5 Ų33.54%0.04320%0.195CC..Hα-helixtrans-60.4-49.1176.9-60.90000112I25 T50 T55 H56 A57I25-T53 HydrophobicContact CD1-CG2 3.82Å; I25-T53 WeakPolarHBondContact O-CG2 3.27Å; I25-T53 PolarHBondContact O-OG1 2.84Å; T50-T53 WeakPolarHBondContact O-CB 3.48Å; T50-T53 PolarHBondContact O-N 3.28Å; T50-T53 VanDerWaalsContact O-N 3.07Å; T50-T53 PolarHBondContact OG1-N 3.17Å; T50-T53 PolarHBondContact OG1-OG1 3.2Å; T50-T53 VanDerWaalsContact OG1-OG1 3.09Å; T53-T55 VanDerWaalsContact C-N 3.32Å; T53-T55 PolarHBondContact O-N 3.01Å; T53-H56 PolarHBondContact O-N 3.16Å; T53-A57 PolarHBondContact O-N 2.95Å
54F98.2Very high98Very high5 Ų536.4 Ų36.42%0.02222%0.219CC..Hα-helixtrans-66.8-34.7179.5-84.4-93.8000112.7G49 T50 P51 G58 T59 L62 I79 L81 H84 K93 V98G49-F54 WeakPolarHBondContact O-CD2 3.48Å; G49-F54 VanDerWaalsContact O-CE2 3.24Å; G49-F54 WeakPolarHBondContact O-CE2 3.43Å; T50-F54 WeakPolarHBondContact O-CD2 3.43Å; T50-F54 PolarHBondContact O-N 3.27Å; T50-F54 VanDerWaalsContact O-N 3.09Å; P51-F54 PolarHBondContact O-N 3.13Å; F54-G58 VanDerWaalsContact O-CA 3.28Å; F54-G58 WeakPolarHBondContact O-CA 3.38Å; F54-G58 PolarHBondContact O-N 3.45Å; F54-T59 HydrophobicContact CD1-CG2 4.23Å; F54-T59 HydrophobicContact CE1-CG2 4.35Å; F54-L62 HydrophobicContact CD1-CD1 3.69Å; F54-L62 HydrophobicContact CD2-CD1 4.36Å; F54-L62 HydrophobicContact CE1-CD1 3.83Å; F54-L62 HydrophobicContact CE2-CD1 4.47Å; F54-L62 HydrophobicContact CG-CD1 3.97Å; F54-L62 HydrophobicContact CZ-CD1 4.21Å; F54-I79 HydrophobicContact CE1-CD1 3.94Å; F54-I79 HydrophobicContact CZ-CD1 3.75Å; F54-I79 HydrophobicContact CZ-CG1 3.93Å; F54-L81 HydrophobicContact CD1-CD2 4.19Å; F54-L81 HydrophobicContact CD2-CD2 4.12Å; F54-L81 HydrophobicContact CE1-CD2 3.6Å; F54-L81 HydrophobicContact CE2-CD2 3.51Å; F54-L81 HydrophobicContact CG-CD2 4.43Å; F54-L81 HydrophobicContact CZ-CD2 3.23Å; F54-H84 AromaticContact CD2-CE1 3.89Å; F54-K93 VanDerWaalsContact CB-CE 3.45Å; F54-K93 HydrophobicContact CD1-CD 4.12Å; F54-K93 HydrophobicContact CG-CD 4.38Å; F54-V98 HydrophobicContact CE1-CG2 4.4Å
55T97.4Very high98Very high115 Ų11538.9 Ų38.971%0.70623%0.232SC*.Hα-helixtrans-67.2-43.2175-58.50000111P51 G52 T53P51-T55 WeakPolarHBondContact O-CB 3.24Å; P51-T55 PolarHBondContact O-N 3.43Å; P51-T55 PolarHBondContact O-OG1 3.11Å; G52-T55 PolarHBondContact O-N 3.29Å; T53-T55 VanDerWaalsContact C-N 3.32Å; T53-T55 PolarHBondContact O-N 3.01Å
56H97.8Very high98Very high152 Ų15238.9 Ų38.970%0.70423%0.232SC*.Hα-helixtrans-67.1-49.7-179.1179.767.4000112.6G52 T53G52-H56 VanDerWaalsContact O-CB 3.29Å; G52-H56 WeakPolarHBondContact O-CB 3.26Å; G52-H56 PolarHBondContact O-N 2.95Å; T53-H56 PolarHBondContact O-N 3.16Å
57A97.9Very high97.9Very high28 Ų2840.9 Ų40.923%0.23125%0.246CC..Hα-helixtrans-86.5-26.4-17400000113.8T53 N61 L62T53-A57 PolarHBondContact O-N 2.95Å; A57-N61 WeakPolarHBondContact O-CB 3.42Å; A57-N61 PolarHBondContact O-ND2 3.5Å; A57-L62 HydrophobicContact CB-CD1 4.02Å; A57-L62 HydrophobicContact CB-CD2 3.66Å; A57-L62 HydrophobicContact CB-CG 3.73Å
58G98Very high97.9Very high25 Ų2543.5 Ų43.526%0.25827%0.268SS..  trans83.4129.1-170.400000112.7F54 E60 N61 L62F54-G58 VanDerWaalsContact O-CA 3.28Å; F54-G58 WeakPolarHBondContact O-CA 3.38Å; F54-G58 PolarHBondContact O-N 3.45Å; G58-E60 PolarHBondContact O-N 3.1Å; G58-N61 WeakPolarHBondContact O-CB 3.34Å; G58-N61 PolarHBondContact O-N 2.91Å; G58-L62 PolarHBondContact O-N 3.44Å; G58-L62 VanDerWaalsContact O-N 3.09Å
59T98Very high97.9Very high22 Ų2244.1 Ų44.114%0.13527%0.27CS..Hα-helixtrans-56.3-46.9-175.2-56.10000113.6F54 N61 L62 L63 K93 V98F54-T59 HydrophobicContact CD1-CG2 4.23Å; F54-T59 HydrophobicContact CE1-CG2 4.35Å; T59-N61 VanDerWaalsContact C-N 3.34Å; T59-N61 PolarHBondContact O-N 3.27Å; T59-L62 PolarHBondContact O-N 2.7Å; T59-L63 HydrophobicContact CG2-CD1 3.98Å; T59-L63 WeakPolarHBondContact O-CG 3.34Å; T59-L63 PolarHBondContact O-N 2.97Å; T59-K93 HydrophobicContact CG2-CB 4.19Å; T59-K93 HydrophobicContact CG2-CG 3.85Å; T59-V98 HydrophobicContact CG2-CG2 4.4Å
60E97.6Very high97.9Very high142 Ų14244.1 Ų44.166%0.66427%0.27SS*.Hα-helixtrans-67.7-35.2-177.8-66.2-177.2176.800112.1G58 L63 A64G58-E60 PolarHBondContact O-N 3.1Å; E60-L63 PolarHBondContact O-N 3.26Å; E60-A64 WeakPolarHBondContact O-CB 3.49Å; E60-A64 PolarHBondContact O-N 2.96Å
61N98.3Very high97.8Very high104 Ų10449.8 Ų49.856%0.55630%0.295SS*.Hα-helixtrans-63.8-47.3174.9-64.8-22.1000110.7A57 G58 T59 L63 A64 L65A57-N61 WeakPolarHBondContact O-CB 3.42Å; A57-N61 PolarHBondContact O-ND2 3.5Å; G58-N61 WeakPolarHBondContact O-CB 3.34Å; G58-N61 PolarHBondContact O-N 2.91Å; T59-N61 VanDerWaalsContact C-N 3.34Å; T59-N61 PolarHBondContact O-N 3.27Å; N61-L63 PolarHBondContact O-N 3.28Å; N61-A64 PolarHBondContact O-N 3.31Å; N61-L65 VanDerWaalsContact O-CG 3.3Å; N61-L65 WeakPolarHBondContact O-CG 3.5Å; N61-L65 PolarHBondContact O-N 2.86Å
62L98.4Very high97.8Very high4 Ų453.9 Ų53.92%0.02131%0.311CS..Hα-helixtrans-60.8-43.8176.9-68.9176.3000111.8I25 M31 F54 A57 G58 T59 A64 L65 V66 I79I25-L62 HydrophobicContact CD1-CD2 3.76Å; M31-L62 HydrophobicContact CE-CD2 3.71Å; F54-L62 HydrophobicContact CD1-CD1 3.69Å; F54-L62 HydrophobicContact CD2-CD1 4.36Å; F54-L62 HydrophobicContact CE1-CD1 3.83Å; F54-L62 HydrophobicContact CE2-CD1 4.47Å; F54-L62 HydrophobicContact CG-CD1 3.97Å; F54-L62 HydrophobicContact CZ-CD1 4.21Å; A57-L62 HydrophobicContact CB-CD1 4.02Å; A57-L62 HydrophobicContact CB-CD2 3.66Å; A57-L62 HydrophobicContact CB-CG 3.73Å; G58-L62 PolarHBondContact O-N 3.44Å; G58-L62 VanDerWaalsContact O-N 3.09Å; T59-L62 PolarHBondContact O-N 2.7Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-A64 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 3.2Å; L62-V66 WeakPolarHBondContact O-CG2 3.26Å; L62-V66 PolarHBondContact O-N 3.02Å; L62-I79 HydrophobicContact CB-CD1 3.72Å
63L97.9Very high97.8Very high15 Ų1555.2 Ų55.28%0.07931%0.306CS..Hα-helixtrans-62-41.1176.4-76.8166.4000112.6T59 E60 N61 S67 I79 S96 V98T59-L63 HydrophobicContact CG2-CD1 3.98Å; T59-L63 WeakPolarHBondContact O-CG 3.34Å; T59-L63 PolarHBondContact O-N 2.97Å; E60-L63 PolarHBondContact O-N 3.26Å; N61-L63 PolarHBondContact O-N 3.28Å; L63-S67 VanDerWaalsContact O-CB 3.23Å; L63-S67 WeakPolarHBondContact O-CB 3.28Å; L63-S67 PolarHBondContact O-N 3.03Å; L63-S67 PolarHBondContact O-OG 3.34Å; L63-I79 HydrophobicContact CD2-CG2 3.81Å; L63-S96 WeakPolarHBondContact CD1-O 3.4Å; L63-V98 HydrophobicContact CD1-CG2 4.34Å; L63-V98 HydrophobicContact CD2-CG2 4.05Å; L63-V98 HydrophobicContact CG-CG2 4.39Å
64A97.6Very high97.6Very high61 Ų6162.9 Ų62.950%0.50434%0.341SS..Hα-helixtrans-64.3-4517700000111.4E60 N61 L62 S67 A68E60-A64 WeakPolarHBondContact O-CB 3.49Å; E60-A64 PolarHBondContact O-N 2.96Å; N61-A64 PolarHBondContact O-N 3.31Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-A64 PolarHBondContact O-N 3.32Å; A64-S67 PolarHBondContact O-N 3.02Å; A64-A68 WeakPolarHBondContact O-CB 3.23Å; A64-A68 PolarHBondContact O-N 3.48Å
65L98.1Very high97.5Very high58 Ų5863.4 Ų63.430%0.30434%0.343SS..Hα-helixtrans-62.7-51.4177.7-69.8173000111.7L28 M31 N61 L62 S67 A68 M69L28-L65 HydrophobicContact CD1-CD1 4.15Å; L28-L65 HydrophobicContact CD1-CD2 3.82Å; M31-L65 HydrophobicContact CE-CB 4.12Å; M31-L65 HydrophobicContact CE-CD1 4.38Å; M31-L65 HydrophobicContact SD-CB 3.65Å; N61-L65 VanDerWaalsContact O-CG 3.3Å; N61-L65 WeakPolarHBondContact O-CG 3.5Å; N61-L65 PolarHBondContact O-N 2.86Å; L62-L65 PolarHBondContact O-N 3.2Å; L65-S67 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-A68 PolarHBondContact O-N 3.41Å; L65-M69 WeakPolarHBondContact O-CB 3.34Å; L65-M69 VanDerWaalsContact O-CG 3.29Å; L65-M69 WeakPolarHBondContact O-CG 3.47Å; L65-M69 PolarHBondContact O-N 3.22Å
66V98Very high97.3Very high0 Ų060.8 Ų60.80%033%0.328CS..Hα-helixtrans-59.9-42.4178.5174.40000110.8V3 M31 I47 L62 A68 M69 A70 L77 I79V3-V66 HydrophobicContact CG2-CG1 4.06Å; M31-V66 HydrophobicContact CE-CG2 3.88Å; M31-V66 HydrophobicContact SD-CG2 3.81Å; I47-V66 HydrophobicContact CB-CG2 4.42Å; I47-V66 HydrophobicContact CG1-CG2 4.46Å; I47-V66 HydrophobicContact CG2-CG2 4.18Å; L62-V66 WeakPolarHBondContact O-CG2 3.26Å; L62-V66 PolarHBondContact O-N 3.02Å; V66-A68 PolarHBondContact O-N 2.92Å; V66-M69 PolarHBondContact O-N 3.4Å; V66-A70 VanDerWaalsContact O-CB 3.23Å; V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 3.31Å; V66-L77 HydrophobicContact CG1-CB 3.67Å; V66-L77 HydrophobicContact CG1-CD1 4.07Å; V66-I79 HydrophobicContact CG1-CB 4.48Å; V66-I79 HydrophobicContact CG2-CB 4.29Å; V66-I79 HydrophobicContact CG2-CD1 4.12Å; V66-I79 HydrophobicContact CG2-CG1 4.38Å
67S97.6Very high97.3Very high41 Ų4153.6 Ų53.629%0.28730%0.295SS..Hα-helixtrans-63.3-42.6177.4-62.70000112.5V3 L63 A64 L65 K71V3-S67 WeakPolarHBondContact CG2-OG 3.49Å; L63-S67 VanDerWaalsContact O-CB 3.23Å; L63-S67 WeakPolarHBondContact O-CB 3.28Å; L63-S67 PolarHBondContact O-N 3.03Å; L63-S67 PolarHBondContact O-OG 3.34Å; A64-S67 PolarHBondContact O-N 3.02Å; L65-S67 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 3.45Å; S67-K71 WeakPolarHBondContact O-CB 3.18Å; S67-K71 PolarHBondContact O-N 2.96Å; S67-K71 VanDerWaalsContact O-N 3.14Å
68A98Very high97.3Very high57 Ų5752.2 Ų52.247%0.47128%0.284SS..Hα-helixtrans-64.9-43.7178.600000111.4A64 L65 V66 K71 Q72A64-A68 WeakPolarHBondContact O-CB 3.23Å; A64-A68 PolarHBondContact O-N 3.48Å; L65-A68 PolarHBondContact O-N 3.41Å; V66-A68 PolarHBondContact O-N 2.92Å; A68-K71 PolarHBondContact O-N 3.31Å; A68-Q72 WeakPolarHBondContact O-CB 3.28Å; A68-Q72 PolarHBondContact O-N 2.9Å
69M98Very high97.3Very high13 Ų1351.1 Ų51.16%0.06427%0.272CS..Hα-helixtrans-71.8-42.2-179-66.1179.876.600112.5M31 Q32 V35 L65 V66 K71 Q72 Y73 L77M31-M69 HydrophobicContact CG-CE 4.49Å; M31-M69 HydrophobicContact CG-SD 3.77Å; M31-M69 HydrophobicContact SD-SD 3.72Å; Q32-M69 HydrophobicContact CB-CE 4.4Å; Q32-M69 HydrophobicContact CG-CE 4.15Å; V35-M69 HydrophobicContact CB-CE 3.47Å; V35-M69 VanDerWaalsContact CB-CE 3.47Å; V35-M69 HydrophobicContact CG1-CB 4.14Å; V35-M69 HydrophobicContact CG1-CE 3.91Å; V35-M69 HydrophobicContact CG2-CE 3.76Å; V35-M69 HydrophobicContact CG2-SD 4.3Å; L65-M69 WeakPolarHBondContact O-CB 3.34Å; L65-M69 VanDerWaalsContact O-CG 3.29Å; L65-M69 WeakPolarHBondContact O-CG 3.47Å; L65-M69 PolarHBondContact O-N 3.22Å; V66-M69 PolarHBondContact O-N 3.4Å; M69-K71 PolarHBondContact O-N 3.07Å; M69-Q72 PolarHBondContact O-N 3.41Å; M69-Q72 VanDerWaalsContact O-N 3.15Å; M69-Y73 HydrophobicContact CE-CE2 4.38Å; M69-Y73 VanDerWaalsContact O-CD2 3.29Å; M69-Y73 WeakPolarHBondContact O-CD2 3.5Å; M69-Y73 PolarHBondContact O-N 3.3Å; M69-L77 HydrophobicContact CB-CD1 4.32Å
70A97.6Very high97.4Very high1 Ų150.1 Ų50.11%0.00827%0.265CS..Hα-helixtrans-57.4-38.5172.900000111.8Y2 V66 H74 H75 L77Y2-A70 HydrophobicContact CD1-CB 4.45Å; V66-A70 VanDerWaalsContact O-CB 3.23Å; V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 3.31Å; A70-H74 WeakPolarHBondContact O-CA 3.44Å; A70-H74 PolarHBondContact O-N 3.14Å; A70-H74 VanDerWaalsContact O-N 3.07Å; A70-H75 VanDerWaalsContact CA-O 3.28Å; A70-H75 WeakPolarHBondContact CA-O 3.16Å; A70-H75 VanDerWaalsContact CB-O 3.26Å; A70-H75 WeakPolarHBondContact CB-O 3.44Å; A70-H75 PolarHBondContact O-N 2.88Å; A70-L77 HydrophobicContact CB-CB 4.12Å; A70-L77 HydrophobicContact CB-CD1 3.86Å; A70-L77 HydrophobicContact CB-CG 3.94Å
71K97.1Very high97.4Very high120 Ų12043.3 Ų43.352%0.52223%0.234SC..Hα-helixtrans-67.2-48.3172.9-178.9177.2-179.5-172.40112.4Y2 S67 A68 M69 Y73 H74Y2-K71 HydrophobicContact CD1-CB 3.81Å; Y2-K71 HydrophobicContact CD2-CB 4.21Å; Y2-K71 HydrophobicContact CE1-CB 3.54Å; Y2-K71 HydrophobicContact CE1-CD 4.48Å; Y2-K71 HydrophobicContact CE1-CG 3.76Å; Y2-K71 HydrophobicContact CE2-CB 3.98Å; Y2-K71 HydrophobicContact CE2-CD 3.96Å; Y2-K71 HydrophobicContact CE2-CG 4.1Å; Y2-K71 HydrophobicContact CG-CB 4.14Å; Y2-K71 WeakPolarHBondContact OH-CG 3.44Å; S67-K71 WeakPolarHBondContact O-CB 3.18Å; S67-K71 PolarHBondContact O-N 2.96Å; S67-K71 VanDerWaalsContact O-N 3.14Å; A68-K71 PolarHBondContact O-N 3.31Å; M69-K71 PolarHBondContact O-N 3.07Å; K71-Y73 VanDerWaalsContact C-N 3.31Å; K71-Y73 PolarHBondContact O-N 3.15Å; K71-H74 PolarHBondContact O-N 3.24Å
72Q97.2Very high97.4Very high127 Ų12738.4 Ų38.459%0.59321%0.207SC*.Hα-helixtrans-58.1-43.9-178.1176.8178.6-19.700112A68 M69A68-Q72 WeakPolarHBondContact O-CB 3.28Å; A68-Q72 PolarHBondContact O-N 2.9Å; M69-Q72 PolarHBondContact O-N 3.41Å; M69-Q72 VanDerWaalsContact O-N 3.15Å
73Y96.4Very high97.4Very high63 Ų6338.9 Ų38.925%0.24721%0.21CC..THydrogen-bonded Turntrans-93.2-0.4-177.2-66.8-72000113.9V35 E36 A39 M69 K71 H75V35-Y73 HydrophobicContact CG1-CD2 3.63Å; V35-Y73 HydrophobicContact CG1-CE2 4.09Å; V35-Y73 HydrophobicContact CG1-CG 4.4Å; E36-Y73 HydrophobicContact CG-CE1 4.46Å; E36-Y73 HydrophobicContact CG-CE2 4.24Å; E36-Y73 WeakPolarHBondContact CG-OH 3.44Å; A39-Y73 HydrophobicContact CB-CD1 3.73Å; A39-Y73 HydrophobicContact CB-CG 3.82Å; M69-Y73 HydrophobicContact CE-CE2 4.38Å; M69-Y73 VanDerWaalsContact O-CD2 3.29Å; M69-Y73 WeakPolarHBondContact O-CD2 3.5Å; M69-Y73 PolarHBondContact O-N 3.3Å; K71-Y73 VanDerWaalsContact C-N 3.31Å; K71-Y73 PolarHBondContact O-N 3.15Å; Y73-H75 PolarHBondContact O-N 3.38Å
74H94.9Very high97.4Very high168 Ų16838.2 Ų38.278%0.77821%0.206SC*.THydrogen-bonded Turntrans48.738.9-171-58.396.1000112.8A70 K71A70-H74 WeakPolarHBondContact O-CA 3.44Å; A70-H74 PolarHBondContact O-N 3.14Å; A70-H74 VanDerWaalsContact O-N 3.07Å; K71-H74 PolarHBondContact O-N 3.24Å
75H95.1Very high97.4Very high15 Ų1537.9 Ų37.97%0.06920%0.198CC..  trans-121.6116.4-170-165.889.3000109A43 A70 Y73 L77 A284A43-H75 PolarHBondContact O-CE1 3.49Å; A43-H75 PolarHBondContact O-NE2 2.89Å; A43-H75 VanDerWaalsContact O-NE2 3.07Å; A70-H75 VanDerWaalsContact CA-O 3.28Å; A70-H75 WeakPolarHBondContact CA-O 3.16Å; A70-H75 VanDerWaalsContact CB-O 3.26Å; A70-H75 WeakPolarHBondContact CB-O 3.44Å; A70-H75 PolarHBondContact O-N 2.88Å; Y73-H75 PolarHBondContact O-N 3.38Å; H75-L77 PolarHBondContact O-N 2.94Å; H75-A284 WeakPolarHBondContact CE1-CB 3.45Å
76P93.9Very high97.4Very high61 Ų6142.2 Ų42.240%0.39621%0.214SC..  trans-62.4121.6179-21.733.2000111V4V4-P76 HydrophobicContact CG1-CB 4.17Å; V4-P76 HydrophobicContact CG2-CB 4.08Å
77L97.9Very high97.4Very high0 Ų044.7 Ų44.70%023%0.225CC..BIsolated β-bridgetrans-114.2138179.5-65.3175.8000110.8V3 V4 V35 V45 I47 V66 M69 A70 H75V3-L77 WeakPolarHBondContact CA-O 3.41Å; V4-L77 PolarHBondContact N-O 2.82Å; V35-L77 HydrophobicContact CB-CD1 4.47Å; V35-L77 HydrophobicContact CG1-CD1 3.87Å; V35-L77 HydrophobicContact CG1-CD2 4.42Å; V35-L77 HydrophobicContact CG2-CD1 3.68Å; V35-L77 HydrophobicContact CG2-CD2 4.24Å; V45-L77 HydrophobicContact CG1-CD2 3.57Å; I47-L77 HydrophobicContact CG1-CD2 4.49Å; V66-L77 HydrophobicContact CG1-CB 3.67Å; V66-L77 HydrophobicContact CG1-CD1 4.07Å; M69-L77 HydrophobicContact CB-CD1 4.32Å; A70-L77 HydrophobicContact CB-CB 4.12Å; A70-L77 HydrophobicContact CB-CD1 3.86Å; A70-L77 HydrophobicContact CB-CG 3.94Å; H75-L77 PolarHBondContact O-N 2.94Å
78A98.1Very high97.4Very high0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-98.2136.6164.100000109.3V4 T6 I46 I47V4-A78 WeakPolarHBondContact O-CA 3.39Å; V4-A78 WeakPolarHBondContact O-CB 3.3Å; T6-A78 HydrophobicContact CG2-CB 3.62Å; I46-A78 HydrophobicContact CG1-CB 4.4Å; I46-A78 HydrophobicContact CG2-CB 4.48Å; I47-A78 WeakPolarHBondContact CB-O 3.29Å; I47-A78 PolarHBondContact N-O 3.41Å
79I98.3Very high97.5Very high2 Ų248.4 Ų48.41%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-102.7124.2162.4-167.1178000108.4V3 I47 F54 L62 L63 V66 V98V3-I79 HydrophobicContact CG1-CG2 3.87Å; I47-I79 CarbonylContact O-C 3.57Å; I47-I79 VanDerWaalsContact O-CA 3.26Å; I47-I79 WeakPolarHBondContact O-CA 3.36Å; F54-I79 HydrophobicContact CE1-CD1 3.94Å; F54-I79 HydrophobicContact CZ-CD1 3.75Å; F54-I79 HydrophobicContact CZ-CG1 3.93Å; L62-I79 HydrophobicContact CB-CD1 3.72Å; L63-I79 HydrophobicContact CD2-CG2 3.81Å; V66-I79 HydrophobicContact CG1-CB 4.48Å; V66-I79 HydrophobicContact CG2-CB 4.29Å; V66-I79 HydrophobicContact CG2-CD1 4.12Å; V66-I79 HydrophobicContact CG2-CG1 4.38Å; I79-V98 HydrophobicContact CG2-CG1 4.32Å; I79-V98 HydrophobicContact CG2-CG2 4.17Å
80H98.8Very high97.5Very high0 Ų047.8 Ų47.80%023%0.231CC..EExtended strand (participates in β ladder)trans-115.7129.9-170.8-177.176.1000111.3I46 I47 A48 G49 D82 S100 M102 E132I46-H80 HydrophobicContact CG2-CB 3.51Å; I47-H80 PolarHBondContact O-N 3.31Å; A48-H80 HydrophobicContact CB-CB 4.34Å; G49-H80 PolarHBondContact N-O 3.31Å; H80-D82 PolarHBondContact O-N 3.35Å; H80-S100 WeakPolarHBondContact CA-O 3.39Å; H80-S100 PolarHBondContact ND1-OG 3.29Å; H80-M102 PolarHBondContact CE1-N 3.5Å; H80-M102 WeakPolarHBondContact NE2-CB 3.36Å; H80-E132 IonicContact CE1-OE2 3.84Å
81L98.8Very high97.5Very high0 Ų047.8 Ų47.80%023%0.23CC..EExtended strand (participates in β ladder)trans-78.5105.4170.5-53.1-168.5000108.7F54 H84 I90 K93 V98 S100 V101 M102F54-L81 HydrophobicContact CD1-CD2 4.19Å; F54-L81 HydrophobicContact CD2-CD2 4.12Å; F54-L81 HydrophobicContact CE1-CD2 3.6Å; F54-L81 HydrophobicContact CE2-CD2 3.51Å; F54-L81 HydrophobicContact CG-CD2 4.43Å; F54-L81 HydrophobicContact CZ-CD2 3.23Å; L81-H84 HydrophobicContact CB-CB 4.38Å; L81-I90 HydrophobicContact CD1-CG1 4.25Å; L81-K93 HydrophobicContact CD1-CB 3.85Å; L81-K93 HydrophobicContact CD1-CD 3.71Å; L81-K93 HydrophobicContact CD1-CG 4.43Å; L81-K93 HydrophobicContact CD2-CB 4.34Å; L81-K93 HydrophobicContact CD2-CD 3.71Å; L81-K93 HydrophobicContact CG-CD 4.37Å; L81-V98 HydrophobicContact CD1-CG1 4.41Å; L81-V98 HydrophobicContact CD2-CG1 3.87Å; L81-V98 HydrophobicContact CD2-CG2 4.16Å; L81-V98 HydrophobicContact CG-CG1 3.84Å; L81-S100 PolarHBondContact N-O 3.33Å; L81-S100 VanDerWaalsContact N-O 3.08Å; L81-V101 HydrophobicContact CB-CG1 4.46Å; L81-V101 HydrophobicContact CD1-CG1 4.33Å; L81-V101 HydrophobicContact CD1-CG2 3.81Å; L81-V101 HydrophobicContact CG-CG2 4.04Å; L81-M102 WeakPolarHBondContact O-CA 3.43Å; L81-M102 WeakPolarHBondContact O-CB 3.24Å; L81-M102 PolarHBondContact O-N 3.19Å
82D98.4Very high97.6Very high0 Ų048 Ų480%023%0.234CC..EExtended strand (participates in β ladder)trans-88.1136.8-179.8-15915.9000110.5N24 A48 G49 T50 P51 H80 H84 H208 N230N24-D82 PolarHBondContact ND2-OD2 3.45Å; N24-D82 PolarHBondContact OD1-OD2 2.97Å; A48-D82 HydrophobicContact CB-CB 4.4Å; G49-D82 PolarHBondContact O-N 2.92Å; T50-D82 WeakPolarHBondContact CA-O 3.49Å; T50-D82 HydrophobicContact CG2-CB 4.4Å; P51-D82 WeakPolarHBondContact CD-O 3.33Å; H80-D82 PolarHBondContact O-N 3.35Å; D82-H84 VanDerWaalsContact C-N 3.27Å; D82-H84 PolarHBondContact O-N 2.94Å; D82-H84 PolarHBondContact O-ND1 2.77Å; D82-H208 IonicContact OD1-CE1 3.08Å; D82-H208 PolarHBondContact OD1-CE1 3.45Å; D82-H208 VanDerWaalsContact OD1-CE1 3.31Å; D82-N230 PolarHBondContact OD2-ND2 3.5Å
83H97.3Very high97.7Very high15 Ų1542.2 Ų42.27%0.06921%0.206CC..EExtended strand (participates in β ladder)trans45.738.1178.6-71.8-81.9000116.7M102 D104 H180 H208H83-M102 VanDerWaalsContact CE1-CE 3.4Å; H83-M102 WeakPolarHBondContact CE1-CE 3.22Å; H83-D104 IonicContact CE1-OD2 2.62Å; H83-D104 IonicContact CG-OD2 2.79Å; H83-D104 IonicContact ND1-OD2 3.9Å; H83-D104 PolarHBondContact ND1-OD2 3.03Å; H83-H180 AromaticContact CE1-CE1 3.72Å; H83-H180 AromaticContact NE2-CE1 3.66Å; H83-H180 AromaticContact NE2-NE2 3.58Å; H83-H208 AromaticContact NE2-CE1 3.9Å; H83-H208 AromaticContact NE2-ND1 3.7Å
84H98.4Very high97.8Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-80139.9174.3-75.449.5000111F54 L81 D82 D89 I90 K93 M102 I103 D104F54-H84 AromaticContact CD2-CE1 3.89Å; L81-H84 HydrophobicContact CB-CB 4.38Å; D82-H84 VanDerWaalsContact C-N 3.27Å; D82-H84 PolarHBondContact O-N 2.94Å; D82-H84 PolarHBondContact O-ND1 2.77Å; H84-D89 IonicContact CD2-OD2 2.79Å; H84-D89 PolarHBondContact CD2-OD2 3.08Å; H84-D89 IonicContact NE2-OD2 2.79Å; H84-I90 HydrophobicContact CB-CD1 3.96Å; H84-I90 HydrophobicContact CB-CG1 3.77Å; H84-K93 PolarHBondContact CD2-NZ 3.01Å; H84-K93 WeakPolarHBondContact NE2-CE 3.5Å; H84-K93 PolarHBondContact NE2-NZ 2.96Å; H84-M102 PolarHBondContact N-O 3.42Å; H84-I103 WeakPolarHBondContact O-CA 3.46Å; H84-I103 WeakPolarHBondContact O-CD1 3.42Å; H84-D104 PolarHBondContact O-N 2.8Å
85T97.4Very high97.9Very high54 Ų5438.6 Ų38.633%0.33119%0.185SC..  trans-119.2-17.3-172.561.50000114.4D104T85-D104 HydrophobicContact CG2-CB 4.35Å; T85-D104 WeakPolarHBondContact CG2-O 3.39Å
86K97.9Very high98Very high149 Ų14940.2 Ų40.265%0.64820%0.198SC*.  trans-105.7125.2-172.3-63178.4-175.6172.90111.3D88 D89 I90K86-D88 PolarHBondContact O-N 3.08Å; K86-D89 HydrophobicContact CB-CB 3.99Å; K86-D89 PolarHBondContact O-N 3.43Å; K86-I90 WeakPolarHBondContact O-CG1 3.23Å; K86-I90 PolarHBondContact O-N 3.11Å; K86-I90 VanDerWaalsContact O-N 3.13Å
87F98.5Very high98.2Very high52 Ų5238.1 Ų38.123%0.22819%0.188CC..Hα-helixtrans-56.6-49.4179.8178.4-89.8000112.6D89 I90 A91 E119 V120 F123F87-D89 VanDerWaalsContact C-N 3.29Å; F87-D89 PolarHBondContact O-N 3.3Å; F87-I90 PolarHBondContact O-N 2.9Å; F87-A91 HydrophobicContact CD1-CB 4.39Å; F87-A91 HydrophobicContact CE1-CB 4.07Å; F87-A91 HydrophobicContact CZ-CB 4.45Å; F87-A91 VanDerWaalsContact O-CB 3.27Å; F87-A91 WeakPolarHBondContact O-CB 3.32Å; F87-A91 PolarHBondContact O-N 3.25Å; F87-E119 HydrophobicContact CD2-CG 3.87Å; F87-E119 HydrophobicContact CE2-CG 3.91Å; F87-V120 HydrophobicContact CD2-CG2 4Å; F87-F123 HydrophobicContact CE2-CB 3.74Å; F87-F123 HydrophobicContact CE2-CG 4.09Å; F87-F123 HydrophobicContact CZ-CB 3.91Å; F87-F123 AromaticContact CZ-CD2 3.99Å; F87-F123 HydrophobicContact CZ-CD2 3.99Å; F87-F123 AromaticContact CZ-CG 3.88Å; F87-F123 HydrophobicContact CZ-CG 3.88Å
88D98.4Very high98.2Very high128 Ų12838.1 Ų38.168%0.68419%0.188SC*.Hα-helixtrans-62.6-37.4-176.1-70.3-29.6000112.7K86 A91 Q92K86-D88 PolarHBondContact O-N 3.08Å; D88-A91 PolarHBondContact O-N 2.95Å; D88-Q92 WeakPolarHBondContact O-CB 3.42Å; D88-Q92 PolarHBondContact O-N 3.3Å
89D98.4Very high98.2Very high48 Ų4840.6 Ų40.626%0.25720%0.197SC..Hα-helixtrans-66.1-47.8177.7179.157.8000111.4H84 K86 F87 A91 Q92 K93H84-D89 IonicContact CD2-OD2 2.79Å; H84-D89 PolarHBondContact CD2-OD2 3.08Å; H84-D89 IonicContact NE2-OD2 2.79Å; K86-D89 HydrophobicContact CB-CB 3.99Å; K86-D89 PolarHBondContact O-N 3.43Å; F87-D89 VanDerWaalsContact C-N 3.29Å; F87-D89 PolarHBondContact O-N 3.3Å; D89-A91 VanDerWaalsContact C-N 3.35Å; D89-A91 PolarHBondContact O-N 2.75Å; D89-Q92 PolarHBondContact O-N 3.32Å; D89-K93 WeakPolarHBondContact O-CG 3.48Å; D89-K93 PolarHBondContact O-N 2.82Å; D89-K93 VanDerWaalsContact O-N 3.13Å; D89-K93 IonicContact OD1-NZ 3.88Å; D89-K93 PolarHBondContact OD1-NZ 3.24Å; D89-K93 IonicContact OD2-NZ 2.88Å; D89-K93 PolarHBondContact OD2-NZ 3.25Å
90I98.8Very high98.2Very high1 Ų140.5 Ų40.51%0.00520%0.197CC..Hα-helixtrans-58.5-48.2172.5-69.6169.3000110.4L81 H84 K86 F87 Q92 K93 V94 V101 I103 V120L81-I90 HydrophobicContact CD1-CG1 4.25Å; H84-I90 HydrophobicContact CB-CD1 3.96Å; H84-I90 HydrophobicContact CB-CG1 3.77Å; K86-I90 WeakPolarHBondContact O-CG1 3.23Å; K86-I90 PolarHBondContact O-N 3.11Å; K86-I90 VanDerWaalsContact O-N 3.13Å; F87-I90 PolarHBondContact O-N 2.9Å; I90-Q92 VanDerWaalsContact C-N 3.33Å; I90-Q92 PolarHBondContact O-N 3.12Å; I90-K93 PolarHBondContact O-N 3.25Å; I90-V94 HydrophobicContact CG2-CG2 4.19Å; I90-V94 WeakPolarHBondContact O-CB 3.38Å; I90-V94 WeakPolarHBondContact O-CG2 3.39Å; I90-V94 PolarHBondContact O-N 3.01Å; I90-V101 HydrophobicContact CD1-CG1 3.99Å; I90-V101 HydrophobicContact CG1-CG1 4.11Å; I90-V101 HydrophobicContact CG2-CG1 3.65Å; I90-V101 HydrophobicContact CG2-CG2 4.12Å; I90-I103 HydrophobicContact CD1-CB 4.21Å; I90-I103 HydrophobicContact CD1-CD1 3.93Å; I90-V120 HydrophobicContact CD1-CG1 4.27Å; I90-V120 HydrophobicContact CD1-CG2 4.28Å; I90-V120 HydrophobicContact CG2-CG1 4.08Å
91A98.7Very high98.2Very high0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-63.9-38.3-175.700000112.4F87 D88 D89 R95 F123F87-A91 HydrophobicContact CD1-CB 4.39Å; F87-A91 HydrophobicContact CE1-CB 4.07Å; F87-A91 HydrophobicContact CZ-CB 4.45Å; F87-A91 VanDerWaalsContact O-CB 3.27Å; F87-A91 WeakPolarHBondContact O-CB 3.32Å; F87-A91 PolarHBondContact O-N 3.25Å; D88-A91 PolarHBondContact O-N 2.95Å; D89-A91 VanDerWaalsContact C-N 3.35Å; D89-A91 PolarHBondContact O-N 2.75Å; A91-R95 WeakPolarHBondContact O-CB 3.34Å; A91-R95 VanDerWaalsContact O-CG 3.23Å; A91-R95 WeakPolarHBondContact O-CG 3.41Å; A91-R95 PolarHBondContact O-N 3.19Å; A91-R95 VanDerWaalsContact O-N 3.14Å; A91-F123 VanDerWaalsContact CA-CE1 3.49Å; A91-F123 HydrophobicContact CB-CD1 4.27Å; A91-F123 HydrophobicContact CB-CE1 3.69Å; A91-F123 HydrophobicContact CB-CE2 4.19Å; A91-F123 HydrophobicContact CB-CZ 3.63Å
92Q98.4Very high98.2Very high126 Ų12640.5 Ų40.559%0.58920%0.197SC*.Hα-helixtrans-62.4-49.4172.8-178.2177.8-19.800111.1D88 D89 I90 V94 R95 S96D88-Q92 WeakPolarHBondContact O-CB 3.42Å; D88-Q92 PolarHBondContact O-N 3.3Å; D89-Q92 PolarHBondContact O-N 3.32Å; I90-Q92 VanDerWaalsContact C-N 3.33Å; I90-Q92 PolarHBondContact O-N 3.12Å; Q92-V94 PolarHBondContact O-N 2.9Å; Q92-R95 WeakPolarHBondContact O-CB 3.48Å; Q92-R95 PolarHBondContact O-N 3.13Å; Q92-S96 PolarHBondContact O-N 3.46Å; Q92-S96 PolarHBondContact O-OG 3.48Å
93K98.6Very high98.2Very high5 Ų540.5 Ų40.52%0.02220%0.197CC..Hα-helixtrans-64.7-38.6-178.4-69.8174.2167.8127.30113.1F54 T59 L81 H84 D89 I90 S96 G97 V98F54-K93 VanDerWaalsContact CB-CE 3.45Å; F54-K93 HydrophobicContact CD1-CD 4.12Å; F54-K93 HydrophobicContact CG-CD 4.38Å; T59-K93 HydrophobicContact CG2-CB 4.19Å; T59-K93 HydrophobicContact CG2-CG 3.85Å; L81-K93 HydrophobicContact CD1-CB 3.85Å; L81-K93 HydrophobicContact CD1-CD 3.71Å; L81-K93 HydrophobicContact CD1-CG 4.43Å; L81-K93 HydrophobicContact CD2-CB 4.34Å; L81-K93 HydrophobicContact CD2-CD 3.71Å; L81-K93 HydrophobicContact CG-CD 4.37Å; H84-K93 PolarHBondContact CD2-NZ 3.01Å; H84-K93 WeakPolarHBondContact NE2-CE 3.5Å; H84-K93 PolarHBondContact NE2-NZ 2.96Å; D89-K93 WeakPolarHBondContact O-CG 3.48Å; D89-K93 PolarHBondContact O-N 2.82Å; D89-K93 VanDerWaalsContact O-N 3.13Å; D89-K93 IonicContact OD1-NZ 3.88Å; D89-K93 PolarHBondContact OD1-NZ 3.24Å; D89-K93 IonicContact OD2-NZ 2.88Å; D89-K93 PolarHBondContact OD2-NZ 3.25Å; I90-K93 PolarHBondContact O-N 3.25Å; K93-S96 PolarHBondContact O-N 2.91Å; K93-G97 PolarHBondContact O-N 2.8Å; K93-V98 HydrophobicContact CB-CG2 4.11Å; K93-V98 WeakPolarHBondContact O-CB 3.4Å; K93-V98 WeakPolarHBondContact O-CG2 3.27Å; K93-V98 PolarHBondContact O-N 3.4Å; K93-V98 VanDerWaalsContact O-N 3.11Å
94V98.5Very high98.2Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-61.8-44.9173.4164.80000111.3I90 Q92 S96 G97 R99 V101 F123 F127 V129I90-V94 HydrophobicContact CG2-CG2 4.19Å; I90-V94 WeakPolarHBondContact O-CB 3.38Å; I90-V94 WeakPolarHBondContact O-CG2 3.39Å; I90-V94 PolarHBondContact O-N 3.01Å; Q92-V94 PolarHBondContact O-N 2.9Å; V94-S96 VanDerWaalsContact C-N 3.28Å; V94-S96 PolarHBondContact O-N 3.46Å; V94-G97 PolarHBondContact O-N 2.88Å; V94-G97 VanDerWaalsContact O-N 3.13Å; V94-R99 PolarHBondContact O-NH1 3.28Å; V94-V101 HydrophobicContact CG2-CG2 3.77Å; V94-F123 HydrophobicContact CB-CE1 3.91Å; V94-F123 HydrophobicContact CG1-CE1 3.76Å; V94-F123 HydrophobicContact CG1-CZ 4.37Å; V94-F123 HydrophobicContact CG2-CE1 4.4Å; V94-F127 HydrophobicContact CG1-CB 3.88Å; V94-F127 HydrophobicContact CG1-CD2 3.94Å; V94-F127 HydrophobicContact CG1-CG 3.89Å; V94-V129 HydrophobicContact CG1-CG2 3.75Å; V94-V129 HydrophobicContact CG2-CG1 4.17Å; V94-V129 HydrophobicContact CG2-CG2 4.27Å
95R98Very high98.2Very high155 Ų15540.4 Ų40.459%0.58520%0.197SC*.Hα-helixtrans-62.1-34.9175.5-72.6173.6-172.1122.3-2.9112.1A91 Q92 G97 F123 F127A91-R95 WeakPolarHBondContact O-CB 3.34Å; A91-R95 VanDerWaalsContact O-CG 3.23Å; A91-R95 WeakPolarHBondContact O-CG 3.41Å; A91-R95 PolarHBondContact O-N 3.19Å; A91-R95 VanDerWaalsContact O-N 3.14Å; Q92-R95 WeakPolarHBondContact O-CB 3.48Å; Q92-R95 PolarHBondContact O-N 3.13Å; R95-G97 VanDerWaalsContact C-N 3.28Å; R95-G97 PolarHBondContact O-N 3.39Å; R95-F123 HydrophobicContact CG-CZ 4.44Å; R95-F127 HydrophobicContact CG-CZ 4.49Å
96S97.1Very high98.1Very high48 Ų4838.4 Ų38.434%0.33619%0.185SC..Hα-helixtrans-69.4-20.9175.8-62.70000114L63 Q92 K93 V94L63-S96 WeakPolarHBondContact CD1-O 3.4Å; Q92-S96 PolarHBondContact O-N 3.46Å; Q92-S96 PolarHBondContact O-OG 3.48Å; K93-S96 PolarHBondContact O-N 2.91Å; V94-S96 VanDerWaalsContact C-N 3.28Å; V94-S96 PolarHBondContact O-N 3.46Å
97G96.8Very high97.8Very high18 Ų1836.7 Ų36.719%0.18618%0.179CC..THydrogen-bonded Turntrans133.40.517700000115.8K93 V94 R95 R99K93-G97 PolarHBondContact O-N 2.8Å; V94-G97 PolarHBondContact O-N 2.88Å; V94-G97 VanDerWaalsContact O-N 3.13Å; R95-G97 VanDerWaalsContact C-N 3.28Å; R95-G97 PolarHBondContact O-N 3.39Å; G97-R99 PolarHBondContact O-NH1 3.13Å
98V98.3Very high97.7Very high0 Ų036.4 Ų36.40%018%0.18CC..  trans-66.4138.2175.8176.50000110.6F54 T59 L63 I79 L81 K93 S100 V101 V129F54-V98 HydrophobicContact CE1-CG2 4.4Å; T59-V98 HydrophobicContact CG2-CG2 4.4Å; L63-V98 HydrophobicContact CD1-CG2 4.34Å; L63-V98 HydrophobicContact CD2-CG2 4.05Å; L63-V98 HydrophobicContact CG-CG2 4.39Å; I79-V98 HydrophobicContact CG2-CG1 4.32Å; I79-V98 HydrophobicContact CG2-CG2 4.17Å; L81-V98 HydrophobicContact CD1-CG1 4.41Å; L81-V98 HydrophobicContact CD2-CG1 3.87Å; L81-V98 HydrophobicContact CD2-CG2 4.16Å; L81-V98 HydrophobicContact CG-CG1 3.84Å; K93-V98 HydrophobicContact CB-CG2 4.11Å; K93-V98 WeakPolarHBondContact O-CB 3.4Å; K93-V98 WeakPolarHBondContact O-CG2 3.27Å; K93-V98 PolarHBondContact O-N 3.4Å; K93-V98 VanDerWaalsContact O-N 3.11Å; V98-S100 VanDerWaalsContact CG1-O 3.3Å; V98-S100 WeakPolarHBondContact CG1-O 3.32Å; V98-V101 HydrophobicContact CG1-CG2 4.42Å; V98-V129 WeakPolarHBondContact O-CG2 3.33Å
99R98.2Very high97.5Very high51 Ų5134.1 Ų34.119%0.19217%0.172CC..  trans-123.16.8-176-61.7-61.4175-1003.2114.8S5 V94 G97 S130S5-R99 VanDerWaalsContact CA-O 3.27Å; S5-R99 WeakPolarHBondContact CA-O 3.35Å; S5-R99 WeakPolarHBondContact CB-O 3.43Å; V94-R99 PolarHBondContact O-NH1 3.28Å; G97-R99 PolarHBondContact O-NH1 3.13Å; R99-S130 PolarHBondContact O-N 3.11Å; R99-S130 VanDerWaalsContact O-N 3.14Å
100S98.8Very high97.4Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-144.5131.2173.4-170.30000110.4T6 H80 L81 V98T6-S100 WeakPolarHBondContact CG2-OG 3.41Å; T6-S100 PolarHBondContact OG1-OG 2.66Å; H80-S100 WeakPolarHBondContact CA-O 3.39Å; H80-S100 PolarHBondContact ND1-OG 3.29Å; L81-S100 PolarHBondContact N-O 3.33Å; L81-S100 VanDerWaalsContact N-O 3.08Å; V98-S100 VanDerWaalsContact CG1-O 3.3Å; V98-S100 WeakPolarHBondContact CG1-O 3.32Å
101V98.9Very high97.4Very high0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-137.6135.8-172.2172.80000109.8L81 I90 V94 V98 V120 V129 S130 V131 E132L81-V101 HydrophobicContact CB-CG1 4.46Å; L81-V101 HydrophobicContact CD1-CG1 4.33Å; L81-V101 HydrophobicContact CD1-CG2 3.81Å; L81-V101 HydrophobicContact CG-CG2 4.04Å; I90-V101 HydrophobicContact CD1-CG1 3.99Å; I90-V101 HydrophobicContact CG1-CG1 4.11Å; I90-V101 HydrophobicContact CG2-CG1 3.65Å; I90-V101 HydrophobicContact CG2-CG2 4.12Å; V94-V101 HydrophobicContact CG2-CG2 3.77Å; V98-V101 HydrophobicContact CG1-CG2 4.42Å; V101-V120 HydrophobicContact CG1-CG1 4.36Å; V101-V129 HydrophobicContact CB-CG1 4.32Å; V101-V129 HydrophobicContact CG2-CG1 3.68Å; V101-S130 PolarHBondContact N-O 2.82Å; V101-V131 CarbonylContact O-C 3.51Å; V101-V131 WeakPolarHBondContact O-CA 3.39Å; V101-E132 PolarHBondContact O-N 3.43Å
102M98.7Very high97.3Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-102.8123.8158.2178.1175.8168.700109.7H80 L81 H83 H84 D104 E132 E134 H208H80-M102 PolarHBondContact CE1-N 3.5Å; H80-M102 WeakPolarHBondContact NE2-CB 3.36Å; L81-M102 WeakPolarHBondContact O-CA 3.43Å; L81-M102 WeakPolarHBondContact O-CB 3.24Å; L81-M102 PolarHBondContact O-N 3.19Å; H83-M102 VanDerWaalsContact CE1-CE 3.4Å; H83-M102 WeakPolarHBondContact CE1-CE 3.22Å; H84-M102 PolarHBondContact N-O 3.42Å; M102-D104 HydrophobicContact CE-CB 4.13Å; M102-E132 VanDerWaalsContact CA-O 3.29Å; M102-E132 WeakPolarHBondContact CA-O 3.42Å; M102-E132 HydrophobicContact CB-CB 4.09Å; M102-E132 HydrophobicContact CB-CG 4.43Å; M102-E132 HydrophobicContact CG-CB 4.39Å; M102-E132 HydrophobicContact CG-CG 4.31Å; M102-E134 HydrophobicContact CE-CB 3.77Å; M102-H208 VanDerWaalsContact SD-CE1 3.58Å
103I98.7Very high97.3Very high1 Ų136.8 Ų36.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-97.8110.6165.6172.559.9000108.5H84 I90 R116 V117 V120 V131 E132 A133H84-I103 WeakPolarHBondContact O-CA 3.46Å; H84-I103 WeakPolarHBondContact O-CD1 3.42Å; I90-I103 HydrophobicContact CD1-CB 4.21Å; I90-I103 HydrophobicContact CD1-CD1 3.93Å; I103-R116 HydrophobicContact CD1-CG 4.27Å; I103-R116 HydrophobicContact CG1-CG 4.38Å; I103-V117 HydrophobicContact CG1-CG2 4.31Å; I103-V117 HydrophobicContact CG2-CB 4.27Å; I103-V117 HydrophobicContact CG2-CG1 3.99Å; I103-V117 HydrophobicContact CG2-CG2 3.96Å; I103-V120 HydrophobicContact CB-CB 4.19Å; I103-V120 HydrophobicContact CB-CG1 4.07Å; I103-V120 HydrophobicContact CB-CG2 4.12Å; I103-V120 HydrophobicContact CD1-CG2 4.06Å; I103-V120 HydrophobicContact CG1-CB 4.33Å; I103-V120 HydrophobicContact CG1-CG2 3.84Å; I103-V120 HydrophobicContact CG2-CB 4.06Å; I103-V120 HydrophobicContact CG2-CG1 4.03Å; I103-V120 HydrophobicContact CG2-CG2 4.49Å; I103-V131 HydrophobicContact CG2-CG1 3.73Å; I103-E132 PolarHBondContact N-O 2.93Å; I103-A133 HydrophobicContact CG2-CB 4.27Å
104D97.6Very high97.3Very high12 Ų1237.8 Ų37.86%0.06420%0.201CC..  trans-92.6104.6174.5-172.6-5.5000110.6H83 H84 T85 M102 S106H83-D104 IonicContact CE1-OD2 2.62Å; H83-D104 IonicContact CG-OD2 2.79Å; H83-D104 IonicContact ND1-OD2 3.9Å; H83-D104 PolarHBondContact ND1-OD2 3.03Å; H84-D104 PolarHBondContact O-N 2.8Å; T85-D104 HydrophobicContact CG2-CB 4.35Å; T85-D104 WeakPolarHBondContact CG2-O 3.39Å; M102-D104 HydrophobicContact CE-CB 4.13Å; D104-S106 WeakPolarHBondContact OD1-CB 3.36Å; D104-S106 PolarHBondContact OD1-N 3.13Å; D104-S106 PolarHBondContact OD1-OG 3.17Å
105A97.2Very high97.3Very high1 Ų141.8 Ų41.81%0.00823%0.228CC..  trans-122.621171.200000111.1H107 L108 N113 R116 V117A105-H107 PolarHBondContact O-N 3.01Å; A105-L108 HydrophobicContact CB-CD1 4.07Å; A105-L108 HydrophobicContact CB-CG 4.5Å; A105-L108 WeakPolarHBondContact O-CB 3.45Å; A105-L108 PolarHBondContact O-N 3.45Å; A105-N113 WeakPolarHBondContact CB-OD1 3.44Å; A105-N113 WeakPolarHBondContact O-CB 3.4Å; A105-N113 VanDerWaalsContact O-CG 3.23Å; A105-N113 PolarHBondContact O-ND2 3.43Å; A105-R116 HydrophobicContact CB-CB 4.17Å; A105-R116 HydrophobicContact CB-CG 4Å; A105-V117 HydrophobicContact CB-CG2 4.27Å
106S95.5Very high97.4Very high12 Ų1238.9 Ų38.98%0.08422%0.217CC..THydrogen-bonded Turntrans-68.7-20.6-172.176.40000113.5D104 L108 E134 G136 Q137D104-S106 WeakPolarHBondContact OD1-CB 3.36Å; D104-S106 PolarHBondContact OD1-N 3.13Å; D104-S106 PolarHBondContact OD1-OG 3.17Å; S106-L108 VanDerWaalsContact C-N 3.27Å; S106-L108 PolarHBondContact O-N 3.44Å; S106-E134 PolarHBondContact OG-OE2 3.34Å; S106-E134 VanDerWaalsContact OG-OE2 3.05Å; S106-G136 WeakPolarHBondContact CB-O 3.33Å; S106-G136 PolarHBondContact OG-O 2.84Å; S106-Q137 PolarHBondContact O-NE2 3.4Å
107H92.1Very high97.4Very high112 Ų11236.6 Ų36.652%0.51920%0.201SC..THydrogen-bonded Turntrans-69.4-17169.964.8-82.3000114.5A105 Q137A105-H107 PolarHBondContact O-N 3.01Å; H107-Q137 VanDerWaalsContact CA-NE2 3.29Å
108L95.4Very high97.5Very high47 Ų4739.6 Ų39.625%0.24621%0.209CC..SBendtrans-86.7154-179-59.8-178.7000112.1A105 S106 Q112 N113 R116A105-L108 HydrophobicContact CB-CD1 4.07Å; A105-L108 HydrophobicContact CB-CG 4.5Å; A105-L108 WeakPolarHBondContact O-CB 3.45Å; A105-L108 PolarHBondContact O-N 3.45Å; S106-L108 VanDerWaalsContact C-N 3.27Å; S106-L108 PolarHBondContact O-N 3.44Å; L108-Q112 HydrophobicContact CB-CB 4.08Å; L108-Q112 HydrophobicContact CD1-CB 4.35Å; L108-N113 HydrophobicContact CB-CB 4.36Å; L108-R116 HydrophobicContact CD1-CB 4.43Å
109P95.5Very high97.6Very high79 Ų7943.9 Ų43.951%0.51323%0.229SC..  trans-53.6144.3168.2-24.834.1000111.7A111 Q112 N113P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A111 PolarHBondContact O-N 2.91Å; P109-A111 VanDerWaalsContact O-N 3.08Å; P109-Q112 WeakPolarHBondContact O-CA 3.48Å; P109-Q112 WeakPolarHBondContact O-CB 3.47Å; P109-Q112 PolarHBondContact O-N 3.2Å; P109-N113 PolarHBondContact O-N 3.45Å
110F96Very high97.6Very high43 Ų4341.5 Ų41.519%0.18922%0.22CC..Hα-helixtrans-44.3-49.7-170.6-175.1-110.3000115.3Q112 N113 I114 L135 Q159 E162 F163F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-Q112 PolarHBondContact O-N 3.04Å; F110-N113 WeakPolarHBondContact O-CB 3.33Å; F110-N113 PolarHBondContact O-N 3.33Å; F110-I114 HydrophobicContact CD1-CD1 4.03Å; F110-I114 HydrophobicContact CE1-CD1 3.51Å; F110-I114 HydrophobicContact CE2-CD1 4.31Å; F110-I114 HydrophobicContact CZ-CD1 3.68Å; F110-I114 HydrophobicContact CZ-CG1 4.46Å; F110-I114 WeakPolarHBondContact O-CG1 3.24Å; F110-I114 PolarHBondContact O-N 3.06Å; F110-L135 HydrophobicContact CD2-CD1 3.88Å; F110-L135 HydrophobicContact CE2-CD1 3.91Å; F110-L135 HydrophobicContact CE2-CD2 4.36Å; F110-Q159 HydrophobicContact CD2-CB 4.44Å; F110-Q159 HydrophobicContact CE2-CB 3.72Å; F110-Q159 HydrophobicContact CE2-CG 4.3Å; F110-Q159 HydrophobicContact CZ-CB 3.87Å; F110-Q159 HydrophobicContact CZ-CG 4.28Å; F110-E162 HydrophobicContact CE1-CG 4.2Å; F110-E162 HydrophobicContact CZ-CB 4.25Å; F110-E162 HydrophobicContact CZ-CG 4.24Å; F110-F163 HydrophobicContact CD2-CD2 4.34Å; F110-F163 HydrophobicContact CE2-CB 3.94Å; F110-F163 AromaticContact CE2-CD2 3.78Å; F110-F163 HydrophobicContact CE2-CD2 3.78Å; F110-F163 HydrophobicContact CE2-CG 4.31Å; F110-F163 HydrophobicContact CZ-CB 4.13Å; F110-F163 HydrophobicContact CZ-CD2 4.41Å
111A97.7Very high97.6Very high74 Ų7441.6 Ų41.661%0.61222%0.221SC*.Hα-helixtrans-66.1-33.9179.200000113.5P109 S115P109-A111 VanDerWaalsContact C-N 3.34Å; P109-A111 PolarHBondContact O-N 2.91Å; P109-A111 VanDerWaalsContact O-N 3.08Å; A111-S115 WeakPolarHBondContact O-CB 3.48Å; A111-S115 PolarHBondContact O-N 3.18Å; A111-S115 VanDerWaalsContact O-N 3.12Å
112Q98.3Very high97.6Very high112 Ų11245.6 Ų45.652%0.52324%0.242SC..Hα-helixtrans-74.3-37.5175.5-63.4-18019.800111.2L108 P109 F110 S115 R116L108-Q112 HydrophobicContact CB-CB 4.08Å; L108-Q112 HydrophobicContact CD1-CB 4.35Å; P109-Q112 WeakPolarHBondContact O-CA 3.48Å; P109-Q112 WeakPolarHBondContact O-CB 3.47Å; P109-Q112 PolarHBondContact O-N 3.2Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-Q112 PolarHBondContact O-N 3.04Å; Q112-S115 PolarHBondContact O-N 3.44Å; Q112-R116 PolarHBondContact O-N 3.22Å
113N98.2Very high97.6Very high3 Ų346.4 Ų46.42%0.01625%0.246CC..Hα-helixtrans-57.9-52.2171.8-174.1-3.8000110.1A105 L108 P109 F110 S115 R116 V117 E134 F163A105-N113 WeakPolarHBondContact CB-OD1 3.44Å; A105-N113 WeakPolarHBondContact O-CB 3.4Å; A105-N113 VanDerWaalsContact O-CG 3.23Å; A105-N113 PolarHBondContact O-ND2 3.43Å; L108-N113 HydrophobicContact CB-CB 4.36Å; P109-N113 PolarHBondContact O-N 3.45Å; F110-N113 WeakPolarHBondContact O-CB 3.33Å; F110-N113 PolarHBondContact O-N 3.33Å; N113-S115 VanDerWaalsContact C-N 3.32Å; N113-S115 PolarHBondContact O-N 3.02Å; N113-R116 PolarHBondContact O-N 3.03Å; N113-V117 WeakPolarHBondContact O-CB 3.37Å; N113-V117 WeakPolarHBondContact O-CG2 3.28Å; N113-V117 PolarHBondContact O-N 2.91Å; N113-V117 VanDerWaalsContact OD1-CG2 3.24Å; N113-V117 WeakPolarHBondContact OD1-CG2 3.23Å; N113-E134 PolarHBondContact ND2-O 2.82Å; N113-F163 HydrophobicContact CB-CE2 4.09Å; N113-F163 VanDerWaalsContact CG-CE2 3.43Å; N113-F163 WeakPolarHBondContact OD1-CE2 3.45Å; N113-F163 WeakPolarHBondContact OD1-CZ 3.34Å
114I98.6Very high97.6Very high26 Ų2646.4 Ų46.413%0.13325%0.246CC..Hα-helixtrans-52.8-49.6174.9-71.6174.3000111.5F110 R116 V117 K118 F163 A166 T167F110-I114 HydrophobicContact CD1-CD1 4.03Å; F110-I114 HydrophobicContact CE1-CD1 3.51Å; F110-I114 HydrophobicContact CE2-CD1 4.31Å; F110-I114 HydrophobicContact CZ-CD1 3.68Å; F110-I114 HydrophobicContact CZ-CG1 4.46Å; F110-I114 WeakPolarHBondContact O-CG1 3.24Å; F110-I114 PolarHBondContact O-N 3.06Å; I114-R116 PolarHBondContact O-N 3.15Å; I114-V117 PolarHBondContact O-N 3.16Å; I114-K118 WeakPolarHBondContact O-CB 3.31Å; I114-K118 PolarHBondContact O-N 3.48Å; I114-F163 HydrophobicContact CD1-CD2 4.3Å; I114-F163 HydrophobicContact CG1-CD2 3.49Å; I114-F163 VanDerWaalsContact CG1-CD2 3.49Å; I114-F163 HydrophobicContact CG1-CE2 3.89Å; I114-F163 HydrophobicContact CG1-CG 4.45Å; I114-A166 HydrophobicContact CD1-CB 4.09Å; I114-A166 HydrophobicContact CG2-CB 3.75Å; I114-T167 HydrophobicContact CB-CG2 4.28Å; I114-T167 HydrophobicContact CG1-CG2 4.23Å; I114-T167 HydrophobicContact CG2-CG2 4.15Å
115S98.6Very high97.7Very high83 Ų8349.2 Ų49.258%0.5826%0.258SS*.Hα-helixtrans-59.3-48.2-178.2-173.80000112.2A111 Q112 N113 K118 E119A111-S115 WeakPolarHBondContact O-CB 3.48Å; A111-S115 PolarHBondContact O-N 3.18Å; A111-S115 VanDerWaalsContact O-N 3.12Å; Q112-S115 PolarHBondContact O-N 3.44Å; N113-S115 VanDerWaalsContact C-N 3.32Å; N113-S115 PolarHBondContact O-N 3.02Å; S115-K118 PolarHBondContact O-N 3.08Å; S115-E119 PolarHBondContact O-N 3Å; S115-E119 VanDerWaalsContact O-N 3.1Å
116R98.6Very high97.7Very high94 Ų9458.2 Ų58.236%0.35529%0.292SS..Hα-helixtrans-67.6-41.8-179.7177.45261.481.64.9112.3I103 A105 L108 Q112 N113 I114 E119 V120I103-R116 HydrophobicContact CD1-CG 4.27Å; I103-R116 HydrophobicContact CG1-CG 4.38Å; A105-R116 HydrophobicContact CB-CB 4.17Å; A105-R116 HydrophobicContact CB-CG 4Å; L108-R116 HydrophobicContact CD1-CB 4.43Å; Q112-R116 PolarHBondContact O-N 3.22Å; N113-R116 PolarHBondContact O-N 3.03Å; I114-R116 PolarHBondContact O-N 3.15Å; R116-E119 IonicContact NE-OE2 3.68Å; R116-E119 PolarHBondContact NE-OE2 3.37Å; R116-E119 PolarHBondContact O-N 3.34Å; R116-V120 PolarHBondContact O-N 3.35Å
117V98.9Very high97.8Very high0 Ų061 Ų610%030%0.303CS..Hα-helixtrans-65.7-44.8178.1173.20000110.3I103 A105 N113 I114 E119 V120 V121 A133 F163 T167 I169I103-V117 HydrophobicContact CG1-CG2 4.31Å; I103-V117 HydrophobicContact CG2-CB 4.27Å; I103-V117 HydrophobicContact CG2-CG1 3.99Å; I103-V117 HydrophobicContact CG2-CG2 3.96Å; A105-V117 HydrophobicContact CB-CG2 4.27Å; N113-V117 WeakPolarHBondContact O-CB 3.37Å; N113-V117 WeakPolarHBondContact O-CG2 3.28Å; N113-V117 PolarHBondContact O-N 2.91Å; N113-V117 VanDerWaalsContact OD1-CG2 3.24Å; N113-V117 WeakPolarHBondContact OD1-CG2 3.23Å; I114-V117 PolarHBondContact O-N 3.16Å; V117-E119 VanDerWaalsContact C-N 3.3Å; V117-E119 PolarHBondContact O-N 3.04Å; V117-V120 PolarHBondContact O-N 2.91Å; V117-V120 VanDerWaalsContact O-N 3.1Å; V117-V121 HydrophobicContact CG1-CG2 4.14Å; V117-V121 WeakPolarHBondContact O-CG2 3.21Å; V117-V121 PolarHBondContact O-N 3.05Å; V117-A133 HydrophobicContact CB-CB 4.41Å; V117-A133 HydrophobicContact CG1-CB 3.61Å; V117-A133 HydrophobicContact CG2-CB 3.84Å; V117-F163 HydrophobicContact CB-CZ 4.42Å; V117-F163 HydrophobicContact CG2-CZ 3.97Å; V117-T167 HydrophobicContact CB-CG2 3.84Å; V117-T167 HydrophobicContact CG1-CG2 3.71Å; V117-I169 HydrophobicContact CG1-CG2 3.34Å
118K98.8Very high98Very high82 Ų8262.3 Ų62.336%0.35731%0.314SS..Hα-helixtrans-58.2-41.6177.6179.2163.8174.435.60112.5I114 S115 V120 V121 D122I114-K118 WeakPolarHBondContact O-CB 3.31Å; I114-K118 PolarHBondContact O-N 3.48Å; S115-K118 PolarHBondContact O-N 3.08Å; K118-V120 VanDerWaalsContact C-N 3.31Å; K118-V120 PolarHBondContact O-N 3.07Å; K118-V121 PolarHBondContact O-N 2.81Å; K118-D122 IonicContact NZ-OD1 3.87Å; K118-D122 PolarHBondContact NZ-OD1 2.86Å; K118-D122 IonicContact NZ-OD2 3.31Å; K118-D122 PolarHBondContact NZ-OD2 2.96Å; K118-D122 WeakPolarHBondContact O-CB 3.27Å; K118-D122 VanDerWaalsContact O-CG 3.27Å; K118-D122 PolarHBondContact O-N 3.09Å
119E98.7Very high98.2Very high90 Ų9060.1 Ų60.142%0.42130%0.303SS..Hα-helixtrans-56.7-43.8175.3-179.7-179.4-150.500112F87 S115 R116 V117 F123F87-E119 HydrophobicContact CD2-CG 3.87Å; F87-E119 HydrophobicContact CE2-CG 3.91Å; S115-E119 PolarHBondContact O-N 3Å; S115-E119 VanDerWaalsContact O-N 3.1Å; R116-E119 IonicContact NE-OE2 3.68Å; R116-E119 PolarHBondContact NE-OE2 3.37Å; R116-E119 PolarHBondContact O-N 3.34Å; V117-E119 VanDerWaalsContact C-N 3.3Å; V117-E119 PolarHBondContact O-N 3.04Å; E119-F123 PolarHBondContact O-N 3.14Å
120V98.9Very high98.3Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-70.3-41.1177.2174.50000111.7F87 I90 V101 I103 R116 V117 K118 F123 C124 V131F87-V120 HydrophobicContact CD2-CG2 4Å; I90-V120 HydrophobicContact CD1-CG1 4.27Å; I90-V120 HydrophobicContact CD1-CG2 4.28Å; I90-V120 HydrophobicContact CG2-CG1 4.08Å; V101-V120 HydrophobicContact CG1-CG1 4.36Å; I103-V120 HydrophobicContact CB-CB 4.19Å; I103-V120 HydrophobicContact CB-CG1 4.07Å; I103-V120 HydrophobicContact CB-CG2 4.12Å; I103-V120 HydrophobicContact CD1-CG2 4.06Å; I103-V120 HydrophobicContact CG1-CB 4.33Å; I103-V120 HydrophobicContact CG1-CG2 3.84Å; I103-V120 HydrophobicContact CG2-CB 4.06Å; I103-V120 HydrophobicContact CG2-CG1 4.03Å; I103-V120 HydrophobicContact CG2-CG2 4.49Å; R116-V120 PolarHBondContact O-N 3.35Å; V117-V120 PolarHBondContact O-N 2.91Å; V117-V120 VanDerWaalsContact O-N 3.1Å; K118-V120 VanDerWaalsContact C-N 3.31Å; K118-V120 PolarHBondContact O-N 3.07Å; V120-F123 PolarHBondContact O-N 3.41Å; V120-C124 VanDerWaalsContact O-CB 3.25Å; V120-C124 WeakPolarHBondContact O-CB 3.49Å; V120-C124 PolarHBondContact O-N 2.84Å; V120-C124 PolarHBondContact O-SG 3.45Å; V120-V131 HydrophobicContact CG1-CG1 4.4Å
121V98.9Very high98.4Very high3 Ų354.4 Ų54.42%0.01827%0.27CS..Hα-helixtrans-58.3-52176171.70000110.9V117 K118 F123 C124 H125 V131 T167 I169V117-V121 HydrophobicContact CG1-CG2 4.14Å; V117-V121 WeakPolarHBondContact O-CG2 3.21Å; V117-V121 PolarHBondContact O-N 3.05Å; K118-V121 PolarHBondContact O-N 2.81Å; V121-F123 PolarHBondContact O-N 2.94Å; V121-C124 PolarHBondContact O-N 2.78Å; V121-C124 VanDerWaalsContact O-N 3.16Å; V121-H125 VanDerWaalsContact CG1-CE1 3.43Å; V121-H125 WeakPolarHBondContact CG1-CE1 3.34Å; V121-H125 WeakPolarHBondContact O-CB 3.46Å; V121-H125 PolarHBondContact O-N 2.81Å; V121-V131 HydrophobicContact CG2-CB 3.92Å; V121-V131 HydrophobicContact CG2-CG1 3.76Å; V121-V131 HydrophobicContact CG2-CG2 4.24Å; V121-T167 WeakPolarHBondContact CG1-O 3.41Å; V121-I169 HydrophobicContact CG2-CG2 3.65Å
122D98.8Very high98.5Very high84 Ų8451 Ų5145%0.44924%0.241SC..Hα-helixtrans-59.1-35.6-178.5-71.8-19.1000111.7K118 R126K118-D122 IonicContact NZ-OD1 3.87Å; K118-D122 PolarHBondContact NZ-OD1 2.86Å; K118-D122 IonicContact NZ-OD2 3.31Å; K118-D122 PolarHBondContact NZ-OD2 2.96Å; K118-D122 WeakPolarHBondContact O-CB 3.27Å; K118-D122 VanDerWaalsContact O-CG 3.27Å; K118-D122 PolarHBondContact O-N 3.09Å; D122-R126 WeakPolarHBondContact O-CD 3.25Å; D122-R126 WeakPolarHBondContact O-CG 3.29Å
123F98.8Very high98.5Very high17 Ų1745.6 Ų45.68%0.07522%0.216CC..Hα-helixtrans-72.4-52.3173.3174.2-94000112.4F87 A91 V94 R95 E119 V120 V121 H125 R126 F127F87-F123 HydrophobicContact CE2-CB 3.74Å; F87-F123 HydrophobicContact CE2-CG 4.09Å; F87-F123 HydrophobicContact CZ-CB 3.91Å; F87-F123 AromaticContact CZ-CD2 3.99Å; F87-F123 HydrophobicContact CZ-CD2 3.99Å; F87-F123 AromaticContact CZ-CG 3.88Å; F87-F123 HydrophobicContact CZ-CG 3.88Å; A91-F123 VanDerWaalsContact CA-CE1 3.49Å; A91-F123 HydrophobicContact CB-CD1 4.27Å; A91-F123 HydrophobicContact CB-CE1 3.69Å; A91-F123 HydrophobicContact CB-CE2 4.19Å; A91-F123 HydrophobicContact CB-CZ 3.63Å; V94-F123 HydrophobicContact CB-CE1 3.91Å; V94-F123 HydrophobicContact CG1-CE1 3.76Å; V94-F123 HydrophobicContact CG1-CZ 4.37Å; V94-F123 HydrophobicContact CG2-CE1 4.4Å; R95-F123 HydrophobicContact CG-CZ 4.44Å; E119-F123 PolarHBondContact O-N 3.14Å; V120-F123 PolarHBondContact O-N 3.41Å; V121-F123 PolarHBondContact O-N 2.94Å; F123-H125 PolarHBondContact O-N 2.58Å; F123-R126 WeakPolarHBondContact O-CB 3.48Å; F123-R126 PolarHBondContact O-N 2.88Å; F123-F127 HydrophobicContact CD2-CE2 4.23Å; F123-F127 HydrophobicContact CE1-CD2 4.28Å; F123-F127 HydrophobicContact CE1-CE2 4.14Å; F123-F127 HydrophobicContact CE2-CD2 4.46Å; F123-F127 AromaticContact CE2-CE2 3.6Å; F123-F127 HydrophobicContact CE2-CE2 3.6Å; F123-F127 HydrophobicContact CE2-CZ 4.31Å; F123-F127 HydrophobicContact CZ-CD2 4.14Å; F123-F127 AromaticContact CZ-CE2 3.55Å; F123-F127 HydrophobicContact CZ-CE2 3.55Å; F123-F127 HydrophobicContact CZ-CZ 4.22Å; F123-F127 WeakPolarHBondContact O-CD2 3.29Å
124C98.8Very high98.5Very high0 Ų045.7 Ų45.70%022%0.216CC..Hα-helixtrans-64.1-40.4-172.8-74.40000112.7V120 V121 R126 F127 V129 V131V120-C124 VanDerWaalsContact O-CB 3.25Å; V120-C124 WeakPolarHBondContact O-CB 3.49Å; V120-C124 PolarHBondContact O-N 2.84Å; V120-C124 PolarHBondContact O-SG 3.45Å; V121-C124 PolarHBondContact O-N 2.78Å; V121-C124 VanDerWaalsContact O-N 3.16Å; C124-R126 PolarHBondContact O-N 3.1Å; C124-F127 PolarHBondContact O-N 3.05Å; C124-V129 HydrophobicContact CB-CB 3.83Å; C124-V129 HydrophobicContact CB-CG1 3.95Å; C124-V129 WeakPolarHBondContact O-CB 3.43Å; C124-V129 PolarHBondContact O-N 3.08Å; C124-V129 VanDerWaalsContact O-N 3.16Å; C124-V131 HydrophobicContact CB-CG2 3.36Å
125H98.6Very high98.4Very high71 Ų7145 Ų4533%0.32921%0.213SC..G310 helixtrans-63.1-24.1-179.8-75.9-169.8000113.1V121 F123 F127 D128 V129 G168 D170V121-H125 VanDerWaalsContact CG1-CE1 3.43Å; V121-H125 WeakPolarHBondContact CG1-CE1 3.34Å; V121-H125 WeakPolarHBondContact O-CB 3.46Å; V121-H125 PolarHBondContact O-N 2.81Å; F123-H125 PolarHBondContact O-N 2.58Å; H125-F127 PolarHBondContact O-N 3.32Å; H125-D128 PolarHBondContact O-N 3.47Å; H125-V129 PolarHBondContact CD2-O 2.96Å; H125-G168 PolarHBondContact CE1-O 3.45Å; H125-D170 IonicContact CD2-OD2 2.66Å; H125-D170 IonicContact CE1-OD2 2.76Å; H125-D170 IonicContact NE2-OD1 3.5Å; H125-D170 IonicContact NE2-OD2 3.57Å; H125-D170 PolarHBondContact NE2-OD2 2.72Å
126R98.2Very high98.2Very high190 Ų19041.5 Ų41.572%0.71719%0.19SC*.G310 helixtrans-66.9-14.1172.9-62.9166.258.1-175.6-1.5113.7D122 F123 C124D122-R126 WeakPolarHBondContact O-CD 3.25Å; D122-R126 WeakPolarHBondContact O-CG 3.29Å; F123-R126 WeakPolarHBondContact O-CB 3.48Å; F123-R126 PolarHBondContact O-N 2.88Å; C124-R126 PolarHBondContact O-N 3.1Å
127F97.5Very high97.7Very high71 Ų7138.7 Ų38.731%0.31118%0.181SC..G310 helixtrans-118.316.7-179-64.3-90.3000112.2V94 R95 F123 C124 H125 V129V94-F127 HydrophobicContact CG1-CB 3.88Å; V94-F127 HydrophobicContact CG1-CD2 3.94Å; V94-F127 HydrophobicContact CG1-CG 3.89Å; R95-F127 HydrophobicContact CG-CZ 4.49Å; F123-F127 HydrophobicContact CD2-CE2 4.23Å; F123-F127 HydrophobicContact CE1-CD2 4.28Å; F123-F127 HydrophobicContact CE1-CE2 4.14Å; F123-F127 HydrophobicContact CE2-CD2 4.46Å; F123-F127 AromaticContact CE2-CE2 3.6Å; F123-F127 HydrophobicContact CE2-CE2 3.6Å; F123-F127 HydrophobicContact CE2-CZ 4.31Å; F123-F127 HydrophobicContact CZ-CD2 4.14Å; F123-F127 AromaticContact CZ-CE2 3.55Å; F123-F127 HydrophobicContact CZ-CE2 3.55Å; F123-F127 HydrophobicContact CZ-CZ 4.22Å; F123-F127 WeakPolarHBondContact O-CD2 3.29Å; C124-F127 PolarHBondContact O-N 3.05Å; H125-F127 PolarHBondContact O-N 3.32Å; F127-V129 HydrophobicContact CB-CG2 3.86Å; F127-V129 PolarHBondContact O-N 2.79Å
128D96.4Very high97.1Very high139 Ų13938.9 Ų38.974%0.74318%0.182SC*.THydrogen-bonded Turntrans54.534.4-174.9-62.5-48.2000113.5H125H125-D128 PolarHBondContact O-N 3.47Å
129V98.6Very high96.5Very high2 Ų235.1 Ų35.11%0.01217%0.166CC..  trans-93.3131.5179.31760000110.6V94 V98 V101 C124 H125 F127V94-V129 HydrophobicContact CG1-CG2 3.75Å; V94-V129 HydrophobicContact CG2-CG1 4.17Å; V94-V129 HydrophobicContact CG2-CG2 4.27Å; V98-V129 WeakPolarHBondContact O-CG2 3.33Å; V101-V129 HydrophobicContact CB-CG1 4.32Å; V101-V129 HydrophobicContact CG2-CG1 3.68Å; C124-V129 HydrophobicContact CB-CB 3.83Å; C124-V129 HydrophobicContact CB-CG1 3.95Å; C124-V129 WeakPolarHBondContact O-CB 3.43Å; C124-V129 PolarHBondContact O-N 3.08Å; C124-V129 VanDerWaalsContact O-N 3.16Å; H125-V129 PolarHBondContact CD2-O 2.96Å; F127-V129 HydrophobicContact CB-CG2 3.86Å; F127-V129 PolarHBondContact O-N 2.79Å
130S98.7Very high96Very high2 Ų232 Ų321%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-76.9137.2173.2-54.50000111.3S5 T6 K7 R99 V101 D170S5-S130 VanDerWaalsContact CB-OG 3.32Å; S5-S130 WeakPolarHBondContact CB-OG 3.4Å; T6-S130 PolarHBondContact N-OG 3.09Å; T6-S130 WeakPolarHBondContact OG1-CB 3.36Å; K7-S130 VanDerWaalsContact CB-OG 3.29Å; K7-S130 WeakPolarHBondContact CB-OG 3.49Å; K7-S130 PolarHBondContact N-OG 2.85Å; R99-S130 PolarHBondContact O-N 3.11Å; R99-S130 VanDerWaalsContact O-N 3.14Å; V101-S130 PolarHBondContact N-O 2.82Å; S130-D170 WeakPolarHBondContact CA-OD2 3.31Å
131V98.9Very high95.3Very high0 Ų037.7 Ų37.70%018%0.184CC..EExtended strand (participates in β ladder)trans-114.9121.9177.2-175.60000111.1V101 I103 V120 V121 C124 I169 D170 S171V101-V131 CarbonylContact O-C 3.51Å; V101-V131 WeakPolarHBondContact O-CA 3.39Å; I103-V131 HydrophobicContact CG2-CG1 3.73Å; V120-V131 HydrophobicContact CG1-CG1 4.4Å; V121-V131 HydrophobicContact CG2-CB 3.92Å; V121-V131 HydrophobicContact CG2-CG1 3.76Å; V121-V131 HydrophobicContact CG2-CG2 4.24Å; C124-V131 HydrophobicContact CB-CG2 3.36Å; V131-I169 HydrophobicContact CG1-CG2 4.17Å; V131-D170 PolarHBondContact N-OD2 3.36Å; V131-D170 PolarHBondContact O-N 2.94Å; V131-S171 PolarHBondContact O-N 3.23Å
132E98.9Very high94.3Very high1 Ų138 Ų381%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-94.2144.7164.3-174.9169.2128.500109.1H80 V101 M102 I103 S171 V206 H208 K228H80-E132 IonicContact CE1-OE2 3.84Å; V101-E132 PolarHBondContact O-N 3.43Å; M102-E132 VanDerWaalsContact CA-O 3.29Å; M102-E132 WeakPolarHBondContact CA-O 3.42Å; M102-E132 HydrophobicContact CB-CB 4.09Å; M102-E132 HydrophobicContact CB-CG 4.43Å; M102-E132 HydrophobicContact CG-CB 4.39Å; M102-E132 HydrophobicContact CG-CG 4.31Å; I103-E132 PolarHBondContact N-O 2.93Å; E132-S171 WeakPolarHBondContact CA-O 3.49Å; E132-S171 WeakPolarHBondContact CA-OG 3.41Å; E132-S171 VanDerWaalsContact CB-OG 3.28Å; E132-S171 WeakPolarHBondContact CB-OG 3.41Å; E132-S171 WeakPolarHBondContact CG-OG 3.22Å; E132-S171 PolarHBondContact OE2-OG 2.95Å; E132-V206 HydrophobicContact CG-CG2 4.41Å; E132-V206 WeakPolarHBondContact OE1-CG1 3.33Å; E132-H208 IonicContact OE1-CD2 3.07Å; E132-H208 IonicContact OE1-CE1 3.84Å; E132-H208 IonicContact OE1-NE2 3.22Å; E132-H208 PolarHBondContact OE1-NE2 2.94Å; E132-K228 VanDerWaalsContact CD-NZ 3.33Å; E132-K228 IonicContact OE1-NZ 2.74Å; E132-K228 PolarHBondContact OE1-NZ 3.43Å; E132-K228 VanDerWaalsContact OE2-CD 3.25Å; E132-K228 WeakPolarHBondContact OE2-CD 3.37Å; E132-K228 WeakPolarHBondContact OE2-CE 3.39Å; E132-K228 IonicContact OE2-NZ 2.81Å; E132-K228 PolarHBondContact OE2-NZ 3.44Å; E132-K228 VanDerWaalsContact OE2-NZ 3.08Å
133A98.7Very high93.5Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-139.9156.8167.600000110.3I103 V117 F163 I169 S171 A173I103-A133 HydrophobicContact CG2-CB 4.27Å; V117-A133 HydrophobicContact CB-CB 4.41Å; V117-A133 HydrophobicContact CG1-CB 3.61Å; V117-A133 HydrophobicContact CG2-CB 3.84Å; A133-F163 HydrophobicContact CB-CE1 3.94Å; A133-F163 HydrophobicContact CB-CZ 4.24Å; A133-I169 HydrophobicContact CB-CD1 4.12Å; A133-I169 HydrophobicContact CB-CG2 3.85Å; A133-S171 PolarHBondContact N-O 3.47Å; A133-A173 PolarHBondContact O-N 2.97Å
134E97.9Very high92.5Very high4 Ų443.1 Ų43.12%0.01921%0.214CC..EExtended strand (participates in β ladder)trans-106135.6179.4-175.1174.3-99.200111.8M102 S106 N113 L138 A173M102-E134 HydrophobicContact CE-CB 3.77Å; S106-E134 PolarHBondContact OG-OE2 3.34Å; S106-E134 VanDerWaalsContact OG-OE2 3.05Å; N113-E134 PolarHBondContact ND2-O 2.82Å; E134-L138 WeakPolarHBondContact OE1-CD1 3.26Å; E134-A173 HydrophobicContact CB-CB 3.86Å; E134-A173 HydrophobicContact CG-CB 4.02Å
135L96.6Very high91.5Very high12 Ų1247 Ų476%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-121.7120.9170.6-178.665.4000110.2F110 T155 Q159 A160 F163 L172 A173F110-L135 HydrophobicContact CD2-CD1 3.88Å; F110-L135 HydrophobicContact CE2-CD1 3.91Å; F110-L135 HydrophobicContact CE2-CD2 4.36Å; L135-T155 HydrophobicContact CB-CG2 4.25Å; L135-T155 HydrophobicContact CD2-CG2 3.85Å; L135-T155 HydrophobicContact CG-CG2 4.03Å; L135-T155 WeakPolarHBondContact O-CB 3.48Å; L135-T155 PolarHBondContact O-OG1 3.41Å; L135-Q159 HydrophobicContact CD2-CB 4.27Å; L135-A160 HydrophobicContact CD2-CB 4.1Å; L135-F163 HydrophobicContact CB-CD1 4.4Å; L135-F163 HydrophobicContact CB-CE1 4.49Å; L135-F163 HydrophobicContact CD1-CD2 4.16Å; L135-F163 HydrophobicContact CD1-CE2 4.44Å; L135-F163 HydrophobicContact CD1-CG 4.43Å; L135-F163 HydrophobicContact CD2-CB 4.01Å; L135-F163 HydrophobicContact CD2-CG 4.23Å; L135-L172 HydrophobicContact CB-CD1 3.95Å; L135-A173 PolarHBondContact N-O 3.19Å; L135-A173 VanDerWaalsContact N-O 3.09Å
136G93.7Very high90.7Very high10 Ų1050.7 Ų50.710%0.10326%0.255CS..SBendtrans96.7171-16600000110.7S106 L153S106-G136 WeakPolarHBondContact CB-O 3.33Å; S106-G136 PolarHBondContact OG-O 2.84Å; G136-L153 CarbonylContact C-O 3.36Å; G136-L153 WeakPolarHBondContact CA-O 3.3Å
137Q88.1Confident89.9Confident35 Ų3543 Ų4316%0.16423%0.229CC..BIsolated β-bridgetrans-131.9127.3-177.7-72.31723800109.8S106 H107 A152 L153S106-Q137 PolarHBondContact O-NE2 3.4Å; H107-Q137 VanDerWaalsContact CA-NE2 3.29Å; Q137-A152 WeakPolarHBondContact O-CA 3.29Å; Q137-L153 HydrophobicContact CB-CB 4.31Å; Q137-L153 PolarHBondContact N-O 2.77Å; Q137-L153 PolarHBondContact O-N 3.49Å
138L87.7Confident88.9Confident4 Ų444.2 Ų44.22%0.02124%0.239CC..  trans-79.6143.4171.1-73.569.8000109E134 V147 A175 T178 H208E134-L138 WeakPolarHBondContact OE1-CD1 3.26Å; L138-V147 VanDerWaalsContact O-CB 3.31Å; L138-V147 WeakPolarHBondContact O-CB 3.5Å; L138-V147 WeakPolarHBondContact O-CG1 3.35Å; L138-A175 HydrophobicContact CD1-CB 3.89Å; L138-T178 WeakPolarHBondContact CD2-OG1 3.42Å; L138-H208 HydrophobicContact CD2-CB 3.71Å; L138-H208 WeakPolarHBondContact CD2-O 3.05Å
139G85.9Confident87.8Confident3 Ų345.4 Ų45.43%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-72.8169.8166.400000111.7V147 A179 H180G139-V147 CarbonylContact C-O 3.59Å; G139-A179 CarbonylContact O-C 3.49Å; G139-A179 VanDerWaalsContact O-CA 3.23Å; G139-A179 WeakPolarHBondContact O-CA 3.27Å; G139-A179 VanDerWaalsContact O-CB 3.31Å; G139-A179 WeakPolarHBondContact O-CB 3.32Å; G139-H180 PolarHBondContact O-N 3.05Å
140G86.6Confident86.6Confident23 Ų2350 Ų5024%0.23728%0.278CS..EExtended strand (participates in β ladder)trans102.4-160.6174.500000114Q146 V147 H180G140-Q146 WeakPolarHBondContact O-CA 3.4Å; G140-V147 PolarHBondContact N-O 3.04Å; G140-V147 PolarHBondContact O-N 3.4Å; G140-H180 WeakPolarHBondContact CA-O 3.1Å
141Q84.4Confident85.2Confident120 Ų12054.1 Ų54.156%0.56130%0.3SS*.EExtended strand (participates in β ladder)trans-123.7126.9-177.4-176.7-178.72.700111.7D143 V145 H180Q141-D143 PolarHBondContact NE2-O 2.95Å; Q141-V145 WeakPolarHBondContact CA-O 3.49Å; Q141-H180 VanDerWaalsContact O-CB 3.3Å; Q141-H180 WeakPolarHBondContact O-CB 3.19Å
142E79.4Confident84.1Confident10 Ų1055.7 Ų55.75%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-127.7118.6168.7-169.963.2-13800108.7N24 T50 D144 V145 H180N24-E142 PolarHBondContact ND2-OE1 2.89Å; T50-E142 HydrophobicContact CG2-CG 4.46Å; E142-D144 PolarHBondContact O-N 3.47Å; E142-V145 PolarHBondContact N-O 3.47Å; E142-V145 WeakPolarHBondContact O-CA 3.22Å; E142-V145 WeakPolarHBondContact O-CB 3.43Å; E142-V145 PolarHBondContact O-N 2.96Å; E142-H180 HydrophobicContact CB-CB 4.26Å; E142-H180 IonicContact OE2-CD2 2.82Å; E142-H180 IonicContact OE2-CG 3.66Å
143D81.9Confident83.4Confident45 Ų4560.3 Ų60.324%0.24134%0.337CS..THydrogen-bonded Turntrans45.5-121.5-168.7-81.78.5000112.7T50 G52 Q141 V145T50-D143 WeakPolarHBondContact CB-OD2 3.4Å; T50-D143 PolarHBondContact OG1-OD1 3.35Å; T50-D143 PolarHBondContact OG1-OD2 3.27Å; G52-D143 PolarHBondContact N-OD2 2.92Å; Q141-D143 PolarHBondContact NE2-O 2.95Å; D143-V145 VanDerWaalsContact C-N 3.34Å
144D78.1Confident83.1Confident164 Ų16465.3 Ų65.388%0.87736%0.356SS*.THydrogen-bonded Turntrans-86.9-2.9178.8-63-37.7000112.5E142E142-D144 PolarHBondContact O-N 3.47Å
145V77Confident83Confident81 Ų8165.1 Ų65.149%0.49136%0.356SS..EExtended strand (participates in β ladder)trans-93.2122.8-178.8-175.90000109.4Q141 E142 D143 V147Q141-V145 WeakPolarHBondContact CA-O 3.49Å; E142-V145 PolarHBondContact N-O 3.47Å; E142-V145 WeakPolarHBondContact O-CA 3.22Å; E142-V145 WeakPolarHBondContact O-CB 3.43Å; E142-V145 PolarHBondContact O-N 2.96Å; D143-V145 VanDerWaalsContact C-N 3.34Å; V145-V147 HydrophobicContact CG1-CG2 4.45Å
146Q82.6Confident82.8Confident148 Ų14867.8 Ų67.869%0.69237%0.37SS*.EExtended strand (participates in β ladder)trans-124.5128176.4-173.6179.19.900110.1G140G140-Q146 WeakPolarHBondContact O-CA 3.4Å
147V79.4Confident82.8Confident30 Ų3068 Ų6818%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-122.6125.8176.2-179.20000108.1L138 G139 G140 V145 D151L138-V147 VanDerWaalsContact O-CB 3.31Å; L138-V147 WeakPolarHBondContact O-CB 3.5Å; L138-V147 WeakPolarHBondContact O-CG1 3.35Å; G139-V147 CarbonylContact C-O 3.59Å; G140-V147 PolarHBondContact N-O 3.04Å; G140-V147 PolarHBondContact O-N 3.4Å; V145-V147 HydrophobicContact CG1-CG2 4.45Å; V147-D151 HydrophobicContact CG1-CB 4.21Å
148N78.1Confident82.8Confident96 Ų9669.4 Ų69.451%0.51339%0.387SS..  trans-69.2147.6175.5-58.3-57.1000110A150 D151 A152N148-A150 PolarHBondContact O-N 3.46Å; N148-D151 WeakPolarHBondContact CB-OD2 3.36Å; N148-D151 PolarHBondContact ND2-OD2 3.09Å; N148-D151 WeakPolarHBondContact O-CA 3.5Å; N148-D151 PolarHBondContact O-N 3.42Å; N148-A152 PolarHBondContact O-N 3.36Å
149E73.4Confident83.2Confident164 Ų16472.8 Ų72.877%0.76640%0.403SS*.G310 helixtrans-57.8-32.3177.4-67.4178.1175.800113.1D151 A152E149-D151 PolarHBondContact O-N 3Å; E149-A152 VanDerWaalsContact O-CB 3.27Å; E149-A152 WeakPolarHBondContact O-CB 3.3Å; E149-A152 PolarHBondContact O-N 2.94Å
150A71.9Confident83.7Confident99 Ų9972.7 Ų72.782%0.81840%0.402SS*.G310 helixtrans-67-22.4176.500000113.4N148N148-A150 PolarHBondContact O-N 3.46Å
151D70.4Confident84.1Confident88 Ų8876.5 Ų76.547%0.47141%0.409SS..G310 helixtrans-95.7-0178.8-58.1-42.5000111.6V147 N148 E149 L153V147-D151 HydrophobicContact CG1-CB 4.21Å; N148-D151 WeakPolarHBondContact CB-OD2 3.36Å; N148-D151 PolarHBondContact ND2-OD2 3.09Å; N148-D151 WeakPolarHBondContact O-CA 3.5Å; N148-D151 PolarHBondContact O-N 3.42Å; E149-D151 PolarHBondContact O-N 3Å; D151-L153 PolarHBondContact O-N 2.84Å
152A75.5Confident84.7Confident32 Ų3275.9 Ų75.926%0.26441%0.406SS..  trans-62.7129177.900000110.9Q137 N148 E149Q137-A152 WeakPolarHBondContact O-CA 3.29Å; N148-A152 PolarHBondContact O-N 3.36Å; E149-A152 VanDerWaalsContact O-CB 3.27Å; E149-A152 WeakPolarHBondContact O-CB 3.3Å; E149-A152 PolarHBondContact O-N 2.94Å
153L84.7Confident85.6Confident98 Ų9875.4 Ų75.451%0.51340%0.404SS..BIsolated β-bridgetrans-117.6112.6-176.4-70174.6000110G136 Q137 D151 A175G136-L153 CarbonylContact C-O 3.36Å; G136-L153 WeakPolarHBondContact CA-O 3.3Å; Q137-L153 HydrophobicContact CB-CB 4.31Å; Q137-L153 PolarHBondContact N-O 2.77Å; Q137-L153 PolarHBondContact O-N 3.49Å; D151-L153 PolarHBondContact O-N 2.84Å; L153-A175 VanDerWaalsContact O-CB 3.27Å; L153-A175 WeakPolarHBondContact O-CB 3.47Å
154Y92.5Very high86.4Confident105 Ų10573.9 Ų73.941%0.41240%0.398SS..PPolyproline II helixtrans-73.4146.2178.3-68.24.2000111.3N156 A175 G177 D190Y154-N156 PolarHBondContact O-N 2.86Å; Y154-A175 CarbonylContact C-O 3.47Å; Y154-A175 VanDerWaalsContact CA-O 3.28Å; Y154-A175 WeakPolarHBondContact CA-O 3.3Å; Y154-G177 WeakPolarHBondContact OH-CA 3.24Å; Y154-D190 HydrophobicContact CD2-CB 4.42Å; Y154-D190 HydrophobicContact CE2-CB 4.28Å
155T95.3Very high87.3Confident1 Ų172.3 Ų72.31%0.00639%0.385CS..PPolyproline II helixtrans-59.9128.8176.5-49.60000110.3L135 A160 V174 A175 R193 I197L135-T155 HydrophobicContact CB-CG2 4.25Å; L135-T155 HydrophobicContact CD2-CG2 3.85Å; L135-T155 HydrophobicContact CG-CG2 4.03Å; L135-T155 WeakPolarHBondContact O-CB 3.48Å; L135-T155 PolarHBondContact O-OG1 3.41Å; T155-A160 HydrophobicContact CG2-CB 4Å; T155-V174 HydrophobicContact CG2-CG1 4.22Å; T155-V174 WeakPolarHBondContact OG1-CA 3.34Å; T155-A175 PolarHBondContact N-O 3.14Å; T155-A175 PolarHBondContact OG1-N 3Å; T155-A175 PolarHBondContact OG1-O 3.37Å; T155-R193 VanDerWaalsContact O-CD 3.27Å; T155-R193 WeakPolarHBondContact O-CD 3.14Å; T155-R193 PolarHBondContact O-NH1 2.83Å; T155-I197 HydrophobicContact CG2-CD1 3.79Å; T155-I197 HydrophobicContact CG2-CG1 4.33Å
156N92.6Very high88.4Confident67 Ų6770.5 Ų70.536%0.35838%0.379SS..PPolyproline II helixtrans-83.5123.1171.3-179.6-45.3000109.7Y154 A158 Q159 A160Y154-N156 PolarHBondContact O-N 2.86Å; N156-A158 PolarHBondContact O-N 3.07Å; N156-A158 PolarHBondContact OD1-N 2.98Å; N156-Q159 HydrophobicContact CB-CB 4.01Å; N156-Q159 HydrophobicContact CB-CG 4.03Å; N156-Q159 PolarHBondContact O-N 3.48Å; N156-Q159 PolarHBondContact OD1-N 3.24Å; N156-A160 PolarHBondContact O-N 3.36Å
157P92.6Very high89.1Confident15 Ų1563.6 Ų63.610%0.09735%0.347CS..Hα-helixtrans-56.3-40.4-177.9-25.732.9000115.3A160 R193 N196 I197P157-A160 WeakPolarHBondContact O-CB 3.5Å; P157-A160 PolarHBondContact O-N 2.71Å; P157-R193 HydrophobicContact CG-CG 4.36Å; P157-N196 HydrophobicContact CB-CB 4.1Å; P157-N196 HydrophobicContact CG-CB 3.89Å; P157-I197 HydrophobicContact CB-CG1 4.06Å; P157-I197 HydrophobicContact CG-CG1 4.01Å
158A89.7Confident90Very high65 Ų6563.9 Ų63.954%0.53736%0.355SS..Hα-helixtrans-70.1-40.8-179.900000111.4N156 A160 R161N156-A158 PolarHBondContact O-N 3.07Å; N156-A158 PolarHBondContact OD1-N 2.98Å; A158-A160 VanDerWaalsContact C-N 3.31Å; A158-A160 PolarHBondContact O-N 2.7Å; A158-R161 PolarHBondContact O-N 3.43Å
159Q94.5Very high91Very high75 Ų7559.6 Ų59.635%0.3533%0.332SS..Hα-helixtrans-68.1-31.2176-67.1-174-54.700112.2F110 L135 N156 R161 E162 F163F110-Q159 HydrophobicContact CD2-CB 4.44Å; F110-Q159 HydrophobicContact CE2-CB 3.72Å; F110-Q159 HydrophobicContact CE2-CG 4.3Å; F110-Q159 HydrophobicContact CZ-CB 3.87Å; F110-Q159 HydrophobicContact CZ-CG 4.28Å; L135-Q159 HydrophobicContact CD2-CB 4.27Å; N156-Q159 HydrophobicContact CB-CB 4.01Å; N156-Q159 HydrophobicContact CB-CG 4.03Å; N156-Q159 PolarHBondContact O-N 3.48Å; N156-Q159 PolarHBondContact OD1-N 3.24Å; Q159-R161 VanDerWaalsContact C-N 3.27Å; Q159-R161 PolarHBondContact O-N 3.06Å; Q159-E162 PolarHBondContact O-N 2.89Å; Q159-F163 WeakPolarHBondContact O-CB 3.42Å; Q159-F163 PolarHBondContact O-N 2.84Å
160A97.3Very high92.2Very high0 Ų052.6 Ų52.60%030%0.3CS..Hα-helixtrans-59.6-37.9178.400000112.5L135 T155 N156 P157 A158 A164 L172 I197 V201L135-A160 HydrophobicContact CD2-CB 4.1Å; T155-A160 HydrophobicContact CG2-CB 4Å; N156-A160 PolarHBondContact O-N 3.36Å; P157-A160 WeakPolarHBondContact O-CB 3.5Å; P157-A160 PolarHBondContact O-N 2.71Å; A158-A160 VanDerWaalsContact C-N 3.31Å; A158-A160 PolarHBondContact O-N 2.7Å; A160-A164 WeakPolarHBondContact O-CB 3.26Å; A160-A164 PolarHBondContact O-N 3.35Å; A160-L172 HydrophobicContact CB-CD2 3.99Å; A160-I197 HydrophobicContact CB-CG2 4.06Å; A160-V201 HydrophobicContact CB-CG2 3.77Å
161R95.1Very high93.5Very high103 Ų10347.9 Ų47.939%0.38926%0.261SS..Hα-helixtrans-65.4-54.5174.1-176.5177.8173.1171.31.5112.2A158 Q159 F163 A164 E165 W200A158-R161 PolarHBondContact O-N 3.43Å; Q159-R161 VanDerWaalsContact C-N 3.27Å; Q159-R161 PolarHBondContact O-N 3.06Å; R161-F163 PolarHBondContact O-N 3.21Å; R161-A164 PolarHBondContact O-N 3.44Å; R161-E165 HydrophobicContact CG-CG 4.42Å; R161-E165 IonicContact CZ-OE1 3.49Å; R161-E165 IonicContact NE-OE1 3.54Å; R161-E165 PolarHBondContact NE-OE1 3.11Å; R161-E165 IonicContact NE-OE2 2.78Å; R161-E165 IonicContact NH2-OE1 3.25Å; R161-E165 PolarHBondContact NH2-OE1 3.33Å; R161-E165 WeakPolarHBondContact O-CG 3.49Å; R161-E165 PolarHBondContact O-N 3.35Å; R161-W200 HydrophobicContact CB-CB 4.04Å
162E97.2Very high94.9Very high108 Ų10843.7 Ų43.751%0.50524%0.239SC..Hα-helixtrans-56.6-42.5180-178.7-177.9165.300110.5F110 Q159 E165 A166F110-E162 HydrophobicContact CE1-CG 4.2Å; F110-E162 HydrophobicContact CZ-CB 4.25Å; F110-E162 HydrophobicContact CZ-CG 4.24Å; Q159-E162 PolarHBondContact O-N 2.89Å; E162-E165 PolarHBondContact O-N 3.49Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 2.9Å
163F98.5Very high95.9Very high0 Ų042.1 Ų42.10%023%0.226CC..Hα-helixtrans-61.8-50.1177.3-169-97.1000112.3F110 N113 I114 V117 A133 L135 Q159 R161 E165 A166 T167 I169 L172F110-F163 HydrophobicContact CD2-CD2 4.34Å; F110-F163 HydrophobicContact CE2-CB 3.94Å; F110-F163 AromaticContact CE2-CD2 3.78Å; F110-F163 HydrophobicContact CE2-CD2 3.78Å; F110-F163 HydrophobicContact CE2-CG 4.31Å; F110-F163 HydrophobicContact CZ-CB 4.13Å; F110-F163 HydrophobicContact CZ-CD2 4.41Å; N113-F163 HydrophobicContact CB-CE2 4.09Å; N113-F163 VanDerWaalsContact CG-CE2 3.43Å; N113-F163 WeakPolarHBondContact OD1-CE2 3.45Å; N113-F163 WeakPolarHBondContact OD1-CZ 3.34Å; I114-F163 HydrophobicContact CD1-CD2 4.3Å; I114-F163 HydrophobicContact CG1-CD2 3.49Å; I114-F163 VanDerWaalsContact CG1-CD2 3.49Å; I114-F163 HydrophobicContact CG1-CE2 3.89Å; I114-F163 HydrophobicContact CG1-CG 4.45Å; V117-F163 HydrophobicContact CB-CZ 4.42Å; V117-F163 HydrophobicContact CG2-CZ 3.97Å; A133-F163 HydrophobicContact CB-CE1 3.94Å; A133-F163 HydrophobicContact CB-CZ 4.24Å; L135-F163 HydrophobicContact CB-CD1 4.4Å; L135-F163 HydrophobicContact CB-CE1 4.49Å; L135-F163 HydrophobicContact CD1-CD2 4.16Å; L135-F163 HydrophobicContact CD1-CE2 4.44Å; L135-F163 HydrophobicContact CD1-CG 4.43Å; L135-F163 HydrophobicContact CD2-CB 4.01Å; L135-F163 HydrophobicContact CD2-CG 4.23Å; Q159-F163 WeakPolarHBondContact O-CB 3.42Å; Q159-F163 PolarHBondContact O-N 2.84Å; R161-F163 PolarHBondContact O-N 3.21Å; F163-E165 PolarHBondContact O-N 3.01Å; F163-A166 PolarHBondContact O-N 3.26Å; F163-T167 HydrophobicContact CD1-CG2 4.38Å; F163-T167 HydrophobicContact CD2-CG2 4.32Å; F163-T167 HydrophobicContact CE1-CG2 4.25Å; F163-T167 HydrophobicContact CE2-CG2 4.16Å; F163-T167 HydrophobicContact CG-CG2 4.43Å; F163-T167 HydrophobicContact CZ-CG2 4.15Å; F163-T167 VanDerWaalsContact O-CB 3.31Å; F163-T167 WeakPolarHBondContact O-CB 3.35Å; F163-T167 VanDerWaalsContact O-CG2 3.24Å; F163-T167 WeakPolarHBondContact O-CG2 3.24Å; F163-T167 PolarHBondContact O-N 3.33Å; F163-T167 PolarHBondContact O-OG1 3.15Å; F163-I169 HydrophobicContact CD1-CD1 3.97Å; F163-I169 HydrophobicContact CE1-CD1 3.88Å; F163-L172 HydrophobicContact CD1-CD1 3.9Å; F163-L172 HydrophobicContact CE1-CD1 4.07Å
164A98.2Very high96.6Very high13 Ų1337.5 Ų37.511%0.10720%0.202CC..Hα-helixtrans-61-44.9178.800000112.1A160 R161 G168 V201 L203A160-A164 WeakPolarHBondContact O-CB 3.26Å; A160-A164 PolarHBondContact O-N 3.35Å; R161-A164 PolarHBondContact O-N 3.44Å; A164-G168 PolarHBondContact O-N 3.23Å; A164-G168 VanDerWaalsContact O-N 3.1Å; A164-V201 HydrophobicContact CB-CG1 4.44Å; A164-L203 HydrophobicContact CB-CD1 3.79Å
165E97.7Very high96.8Very high130 Ų13032.6 Ų32.661%0.60718%0.183SC*.Hα-helixtrans-67.8-42.3179.5-70.4176.6178.900112.1R161 E162 F163R161-E165 HydrophobicContact CG-CG 4.42Å; R161-E165 IonicContact CZ-OE1 3.49Å; R161-E165 IonicContact NE-OE1 3.54Å; R161-E165 PolarHBondContact NE-OE1 3.11Å; R161-E165 IonicContact NE-OE2 2.78Å; R161-E165 IonicContact NH2-OE1 3.25Å; R161-E165 PolarHBondContact NH2-OE1 3.33Å; R161-E165 WeakPolarHBondContact O-CG 3.49Å; R161-E165 PolarHBondContact O-N 3.35Å; E162-E165 PolarHBondContact O-N 3.49Å; F163-E165 PolarHBondContact O-N 3.01Å
166A98.3Very high96.8Very high44 Ų4432.5 Ų32.536%0.36418%0.182SC..Hα-helixtrans-74.9-29.7-176.800000113.5I114 E162 F163I114-A166 HydrophobicContact CD1-CB 4.09Å; I114-A166 HydrophobicContact CG2-CB 3.75Å; E162-A166 WeakPolarHBondContact O-CB 3.39Å; E162-A166 PolarHBondContact O-N 2.9Å; F163-A166 PolarHBondContact O-N 3.26Å
167T98.7Very high96.8Very high3 Ų330 Ų302%0.01817%0.172CC..Hα-helixtrans-91.7-34.7-177.258.30000113.4I114 V117 V121 F163I114-T167 HydrophobicContact CB-CG2 4.28Å; I114-T167 HydrophobicContact CG1-CG2 4.23Å; I114-T167 HydrophobicContact CG2-CG2 4.15Å; V117-T167 HydrophobicContact CB-CG2 3.84Å; V117-T167 HydrophobicContact CG1-CG2 3.71Å; V121-T167 WeakPolarHBondContact CG1-O 3.41Å; F163-T167 HydrophobicContact CD1-CG2 4.38Å; F163-T167 HydrophobicContact CD2-CG2 4.32Å; F163-T167 HydrophobicContact CE1-CG2 4.25Å; F163-T167 HydrophobicContact CE2-CG2 4.16Å; F163-T167 HydrophobicContact CG-CG2 4.43Å; F163-T167 HydrophobicContact CZ-CG2 4.15Å; F163-T167 VanDerWaalsContact O-CB 3.31Å; F163-T167 WeakPolarHBondContact O-CB 3.35Å; F163-T167 VanDerWaalsContact O-CG2 3.24Å; F163-T167 WeakPolarHBondContact O-CG2 3.24Å; F163-T167 PolarHBondContact O-N 3.33Å; F163-T167 PolarHBondContact O-OG1 3.15Å
168G98.4Very high96.8Very high35 Ų3529.6 Ų29.636%0.36117%0.169SC..  trans75.519.9-174.700000114.5H125 A164H125-G168 PolarHBondContact CE1-O 3.45Å; A164-G168 PolarHBondContact O-N 3.23Å; A164-G168 VanDerWaalsContact O-N 3.1Å
169I98.8Very high96.8Very high6 Ų627.2 Ų27.23%0.03115%0.15CC..  trans-59.2159.5176.257.9-175.7000113.3V117 V121 V131 A133 F163 L172 L203V117-I169 HydrophobicContact CG1-CG2 3.34Å; V121-I169 HydrophobicContact CG2-CG2 3.65Å; V131-I169 HydrophobicContact CG1-CG2 4.17Å; A133-I169 HydrophobicContact CB-CD1 4.12Å; A133-I169 HydrophobicContact CB-CG2 3.85Å; F163-I169 HydrophobicContact CD1-CD1 3.97Å; F163-I169 HydrophobicContact CE1-CD1 3.88Å; I169-L172 HydrophobicContact CD1-CB 4.17Å; I169-L172 HydrophobicContact CD1-CD1 3.89Å; I169-L203 HydrophobicContact CG1-CD1 3.75Å; I169-L203 WeakPolarHBondContact O-CD1 2.89Å
170D98.8Very high96.4Very high17 Ų1724.8 Ų24.89%0.09114%0.138CC..SBendtrans-96-23.9180-60.5-84.3000113K7 H125 S130 V131 P204K7-D170 WeakPolarHBondContact CD-OD1 3.36Å; K7-D170 WeakPolarHBondContact CE-OD1 3.44Å; K7-D170 IonicContact NZ-OD1 3.94Å; K7-D170 PolarHBondContact NZ-OD1 3.25Å; H125-D170 IonicContact CD2-OD2 2.66Å; H125-D170 IonicContact CE1-OD2 2.76Å; H125-D170 IonicContact NE2-OD1 3.5Å; H125-D170 IonicContact NE2-OD2 3.57Å; H125-D170 PolarHBondContact NE2-OD2 2.72Å; S130-D170 WeakPolarHBondContact CA-OD2 3.31Å; V131-D170 PolarHBondContact N-OD2 3.36Å; V131-D170 PolarHBondContact O-N 2.94Å; D170-P204 WeakPolarHBondContact O-CD 3.49Å
171S98.8Very high95.9Very high0 Ų025.7 Ų25.70%015%0.148CC..EExtended strand (participates in β ladder)trans-147.3152.3173.555.30000111.2V131 E132 A133 P204V131-S171 PolarHBondContact O-N 3.23Å; E132-S171 WeakPolarHBondContact CA-O 3.49Å; E132-S171 WeakPolarHBondContact CA-OG 3.41Å; E132-S171 VanDerWaalsContact CB-OG 3.28Å; E132-S171 WeakPolarHBondContact CB-OG 3.41Å; E132-S171 WeakPolarHBondContact CG-OG 3.22Å; E132-S171 PolarHBondContact OE2-OG 2.95Å; A133-S171 PolarHBondContact N-O 3.47Å; S171-P204 WeakPolarHBondContact CA-O 3.44Å; S171-P204 WeakPolarHBondContact CB-O 3.43Å
172L98.7Very high95.2Very high0 Ų026 Ų260%016%0.155CC..EExtended strand (participates in β ladder)trans-121.9115.1-177.7177.965.7000110.9L135 A160 F163 I169 V174 V201 P204 L205 V206L135-L172 HydrophobicContact CB-CD1 3.95Å; A160-L172 HydrophobicContact CB-CD2 3.99Å; F163-L172 HydrophobicContact CD1-CD1 3.9Å; F163-L172 HydrophobicContact CE1-CD1 4.07Å; I169-L172 HydrophobicContact CD1-CB 4.17Å; I169-L172 HydrophobicContact CD1-CD1 3.89Å; L172-V174 HydrophobicContact CD2-CG1 4.11Å; L172-V174 HydrophobicContact CG-CG1 3.98Å; L172-V201 HydrophobicContact CD2-CG1 4.34Å; L172-V201 HydrophobicContact CD2-CG2 4.16Å; L172-P204 PolarHBondContact N-O 2.78Å; L172-L205 HydrophobicContact CB-CD2 4.15Å; L172-L205 HydrophobicContact CD2-CD2 4.22Å; L172-L205 HydrophobicContact CG-CD2 4.49Å; L172-L205 CarbonylContact O-C 3.51Å; L172-L205 WeakPolarHBondContact O-CA 3.41Å; L172-V206 PolarHBondContact O-N 2.76Å
173A98.5Very high94.4Very high0 Ų023 Ų230%014%0.139CC..EExtended strand (participates in β ladder)trans-75.1130.6166.800000110.7A133 E134 L135 V206A133-A173 PolarHBondContact O-N 2.97Å; E134-A173 HydrophobicContact CB-CB 3.86Å; E134-A173 HydrophobicContact CG-CB 4.02Å; L135-A173 PolarHBondContact N-O 3.19Å; L135-A173 VanDerWaalsContact N-O 3.09Å; A173-V206 WeakPolarHBondContact CA-O 3.28Å; A173-V206 HydrophobicContact CB-CB 4.18Å; A173-V206 HydrophobicContact CB-CG1 4.45Å
174V97.9Very high93.4Very high1 Ų128.6 Ų28.61%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-121.6138.7-175.4-61.20000111.6T155 L172 I176 L194 I197 L205 V206 I226T155-V174 HydrophobicContact CG2-CG1 4.22Å; T155-V174 WeakPolarHBondContact OG1-CA 3.34Å; L172-V174 HydrophobicContact CD2-CG1 4.11Å; L172-V174 HydrophobicContact CG-CG1 3.98Å; V174-I176 HydrophobicContact CB-CG2 4.42Å; V174-I176 HydrophobicContact CG2-CG2 4.1Å; V174-L194 HydrophobicContact CG2-CD1 4.16Å; V174-I197 HydrophobicContact CB-CD1 4.32Å; V174-I197 HydrophobicContact CG1-CD1 4.23Å; V174-I197 HydrophobicContact CG1-CG2 4.24Å; V174-L205 HydrophobicContact CG1-CD2 4.16Å; V174-V206 PolarHBondContact N-O 3.01Å; V174-V206 VanDerWaalsContact N-O 3.1Å; V174-I226 HydrophobicContact CG2-CD1 4.05Å
175A96.2Very high92.5Very high1 Ų132.4 Ų32.41%0.00821%0.211CC..  trans-94.7109.2173.200000109.6L138 L153 Y154 T155L138-A175 HydrophobicContact CD1-CB 3.89Å; L153-A175 VanDerWaalsContact O-CB 3.27Å; L153-A175 WeakPolarHBondContact O-CB 3.47Å; Y154-A175 CarbonylContact C-O 3.47Å; Y154-A175 VanDerWaalsContact CA-O 3.28Å; Y154-A175 WeakPolarHBondContact CA-O 3.3Å; T155-A175 PolarHBondContact N-O 3.14Å; T155-A175 PolarHBondContact OG1-N 3Å; T155-A175 PolarHBondContact OG1-O 3.37Å
176I95.7Very high91.5Very high0 Ų030.3 Ų30.30%022%0.216CC..SBendtrans-126.619.6-178.762.7164.3000113.1V174 L189 D190 L194 I197 L207 T221V174-I176 HydrophobicContact CB-CG2 4.42Å; V174-I176 HydrophobicContact CG2-CG2 4.1Å; I176-L189 WeakPolarHBondContact O-CA 3.3Å; I176-D190 PolarHBondContact O-N 3.16Å; I176-L194 HydrophobicContact CD1-CB 4.18Å; I176-L194 HydrophobicContact CD1-CD2 3.95Å; I176-L194 HydrophobicContact CD1-CG 4.47Å; I176-L194 HydrophobicContact CG2-CB 4.34Å; I176-I197 HydrophobicContact CG2-CD1 4.37Å; I176-L207 HydrophobicContact CD1-CD1 3.89Å; I176-L207 HydrophobicContact CG1-CD1 3.87Å; I176-T221 HydrophobicContact CD1-CG2 4.22Å
177G92.4Very high90.9Very high14 Ų1429.4 Ų29.414%0.14421%0.207CC..SBendtrans107.56.7-179.400000115.5Y154 P187Y154-G177 WeakPolarHBondContact OH-CA 3.24Å; G177-P187 WeakPolarHBondContact O-CB 3.13Å
178T92.7Very high90.4Very high6 Ų633.5 Ų33.54%0.03724%0.241CC..  trans-75.7161.2164.450.20000111.5L138 Y183 L189 L207 H208 L213L138-T178 WeakPolarHBondContact CD2-OG1 3.42Å; T178-Y183 VanDerWaalsContact CA-OH 3.31Å; T178-Y183 WeakPolarHBondContact CA-OH 3.28Å; T178-Y183 WeakPolarHBondContact CB-OH 3.27Å; T178-L189 HydrophobicContact CG2-CD2 3.53Å; T178-L207 HydrophobicContact CG2-CD1 3.82Å; T178-L207 HydrophobicContact CG2-CD2 4.36Å; T178-L207 HydrophobicContact CG2-CG 4.17Å; T178-H208 VanDerWaalsContact CB-O 3.24Å; T178-H208 WeakPolarHBondContact CB-O 3.23Å; T178-H208 PolarHBondContact OG1-O 3.24Å; T178-L213 HydrophobicContact CG2-CD1 3.98Å
179A90.1Very high90.2Very high15 Ų1532.6 Ų32.612%0.12423%0.227CC..EExtended strand (participates in β ladder)trans-137.7153.7176.200000110.5G139 Y183 G209G139-A179 CarbonylContact O-C 3.49Å; G139-A179 VanDerWaalsContact O-CA 3.23Å; G139-A179 WeakPolarHBondContact O-CA 3.27Å; G139-A179 VanDerWaalsContact O-CB 3.31Å; G139-A179 WeakPolarHBondContact O-CB 3.32Å; A179-Y183 HydrophobicContact CB-CE1 3.87Å; A179-Y183 PolarHBondContact N-OH 3.36Å; A179-Y183 PolarHBondContact O-OH 2.97Å; A179-G209 VanDerWaalsContact O-CA 3.22Å; A179-G209 WeakPolarHBondContact O-CA 3.44Å
180H87Confident90Very high25 Ų2534.4 Ų34.412%0.11624%0.237CC..EExtended strand (participates in β ladder)trans-73.9147.8169.2-61134.6000110.8H83 G139 G140 Q141 E142H83-H180 AromaticContact CE1-CE1 3.72Å; H83-H180 AromaticContact NE2-CE1 3.66Å; H83-H180 AromaticContact NE2-NE2 3.58Å; G139-H180 PolarHBondContact O-N 3.05Å; G140-H180 WeakPolarHBondContact CA-O 3.1Å; Q141-H180 VanDerWaalsContact O-CB 3.3Å; Q141-H180 WeakPolarHBondContact O-CB 3.19Å; E142-H180 HydrophobicContact CB-CB 4.26Å; E142-H180 IonicContact OE2-CD2 2.82Å; E142-H180 IonicContact OE2-CG 3.66Å
181G86.1Confident90Very high19 Ų1936.3 Ų36.320%0.19625%0.245CC..SBendtrans93.9-151.6-175.300000113.8T233G181-T233 VanDerWaalsContact CA-OG1 3.31Å; G181-T233 WeakPolarHBondContact CA-OG1 3.27Å; G181-T233 PolarHBondContact N-OG1 3.36Å; G181-T233 PolarHBondContact O-OG1 3.46Å
182M80.4Confident89.9Confident108 Ų10840.5 Ų40.553%0.53227%0.274SS..  trans-109.1141.7177-68.9-61.3-65.600110T233 N237M182-T233 HydrophobicContact CG-CG2 3.63Å; M182-T233 HydrophobicContact SD-CG2 3.82Å; M182-N237 WeakPolarHBondContact CG-ND2 3.46Å
183Y80.6Confident89.8Confident46 Ų4643.8 Ų43.818%0.1829%0.287CS..  trans-78.3132.8175.8-58.3-71.7000112.2T178 A179 S185 P187 G209 S211 L213T178-Y183 VanDerWaalsContact CA-OH 3.31Å; T178-Y183 WeakPolarHBondContact CA-OH 3.28Å; T178-Y183 WeakPolarHBondContact CB-OH 3.27Å; A179-Y183 HydrophobicContact CB-CE1 3.87Å; A179-Y183 PolarHBondContact N-OH 3.36Å; A179-Y183 PolarHBondContact O-OH 2.97Å; Y183-S185 VanDerWaalsContact C-N 3.32Å; Y183-S185 WeakPolarHBondContact CB-O 3.12Å; Y183-P187 HydrophobicContact CD1-CB 4.04Å; Y183-P187 HydrophobicContact CD1-CG 3.89Å; Y183-P187 HydrophobicContact CD2-CG 4.26Å; Y183-P187 HydrophobicContact CE1-CB 3.76Å; Y183-P187 HydrophobicContact CE1-CG 3.58Å; Y183-P187 HydrophobicContact CE2-CG 3.99Å; Y183-P187 HydrophobicContact CG-CG 4.22Å; Y183-G209 PolarHBondContact OH-O 2.9Å; Y183-S211 WeakPolarHBondContact CD2-O 3.33Å; Y183-S211 WeakPolarHBondContact CE2-O 3.36Å; Y183-L213 HydrophobicContact CE2-CD2 3.8Å; Y183-L213 HydrophobicContact CE2-CG 4.21Å
184A77.6Confident89.7Confident117 Ų11743.8 Ų43.897%0.96729%0.287SS*.SBendtrans-71.4-31167.100000111.9
185S78.4Confident89.7Confident93 Ų9348.8 Ų48.865%0.6531%0.31SS*.SBendtrans-144.4149.2173.857.90000109.3Y183Y183-S185 VanDerWaalsContact C-N 3.32Å; Y183-S185 WeakPolarHBondContact CB-O 3.12Å
186A78.2Confident89.8Confident87 Ų8751.7 Ų51.772%0.71933%0.325SS*.  trans-50.4127.9-179.800000111.6
187P85Confident89.8Confident25 Ų2551.7 Ų51.716%0.16233%0.325CS..  trans-69.9145.8-179.230.2-36.1000110.8G177 Y183 L189 L213G177-P187 WeakPolarHBondContact O-CB 3.13Å; Y183-P187 HydrophobicContact CD1-CB 4.04Å; Y183-P187 HydrophobicContact CD1-CG 3.89Å; Y183-P187 HydrophobicContact CD2-CG 4.26Å; Y183-P187 HydrophobicContact CE1-CB 3.76Å; Y183-P187 HydrophobicContact CE1-CG 3.58Å; Y183-P187 HydrophobicContact CE2-CG 3.99Å; Y183-P187 HydrophobicContact CG-CG 4.22Å; P187-L189 HydrophobicContact CB-CD2 4.47Å; P187-L189 HydrophobicContact CG-CD2 4.31Å; P187-L189 PolarHBondContact O-N 3.15Å; P187-L213 HydrophobicContact CG-CD2 3.41Å; P187-L213 VanDerWaalsContact CG-CD2 3.41Å
188A87Confident90.1Very high88 Ų8853.3 Ų53.373%0.72733%0.327SS*.  trans-84.994.2171.400000109.6D190A188-D190 PolarHBondContact O-N 2.95Å
189L94.2Very high90.2Very high16 Ų1659.6 Ų59.68%0.08436%0.356CS..  trans-70.7128.7177.7-59.2-178.2000111.4I176 T178 P187 F191 L213 D217 T221I176-L189 WeakPolarHBondContact O-CA 3.3Å; T178-L189 HydrophobicContact CG2-CD2 3.53Å; P187-L189 HydrophobicContact CB-CD2 4.47Å; P187-L189 HydrophobicContact CG-CD2 4.31Å; P187-L189 PolarHBondContact O-N 3.15Å; L189-F191 VanDerWaalsContact C-N 3.27Å; L189-F191 HydrophobicContact CB-CD1 4.33Å; L189-F191 HydrophobicContact CB-CD2 4.48Å; L189-F191 HydrophobicContact CB-CE1 3.94Å; L189-F191 HydrophobicContact CB-CE2 4.09Å; L189-F191 HydrophobicContact CB-CZ 3.81Å; L189-F191 HydrophobicContact CD1-CE1 3.96Å; L189-F191 HydrophobicContact CD1-CZ 3.95Å; L189-F191 HydrophobicContact CG-CZ 4.42Å; L189-F191 WeakPolarHBondContact O-CD2 3.32Å; L189-F191 PolarHBondContact O-N 2.78Å; L189-L213 HydrophobicContact CD1-CD1 4.25Å; L189-L213 HydrophobicContact CD1-CD2 4.34Å; L189-D217 HydrophobicContact CD1-CB 4.02Å; L189-T221 HydrophobicContact CD1-CG2 3.96Å
190D96.1Very high90.4Very high44 Ų4464.5 Ų64.524%0.23537%0.371CS..  trans-79.175175.9-169.4-12000110.3Y154 I176 A188 S192 R193 L194Y154-D190 HydrophobicContact CD2-CB 4.42Å; Y154-D190 HydrophobicContact CE2-CB 4.28Å; I176-D190 PolarHBondContact O-N 3.16Å; A188-D190 PolarHBondContact O-N 2.95Å; D190-S192 VanDerWaalsContact C-N 3.26Å; D190-S192 PolarHBondContact O-N 3.39Å; D190-R193 HydrophobicContact CB-CB 3.96Å; D190-R193 WeakPolarHBondContact O-CB 3.39Å; D190-R193 PolarHBondContact O-N 2.99Å; D190-R193 VanDerWaalsContact OD1-CB 3.31Å; D190-R193 WeakPolarHBondContact OD1-CB 3.1Å; D190-R193 PolarHBondContact OD1-N 2.85Å; D190-R193 VanDerWaalsContact OD2-CB 3.32Å; D190-R193 WeakPolarHBondContact OD2-CB 3.39Å; D190-R193 IonicContact OD2-CZ 3.76Å; D190-R193 IonicContact OD2-NE 3.29Å; D190-R193 PolarHBondContact OD2-NE 2.64Å; D190-R193 IonicContact OD2-NH2 3.83Å; D190-R193 PolarHBondContact OD2-NH2 2.89Å; D190-R193 VanDerWaalsContact OD2-NH2 3.16Å; D190-L194 PolarHBondContact O-N 2.84Å; D190-L194 VanDerWaalsContact O-N 3.09Å
191F97.6Very high90.8Very high57 Ų5763.4 Ų63.425%0.2537%0.367CS..Hα-helixtrans-60.8-34.3179.6-64.6-62.2000112.9L189 R193 L194 E195 D217 Q220 T221 L224L189-F191 VanDerWaalsContact C-N 3.27Å; L189-F191 HydrophobicContact CB-CD1 4.33Å; L189-F191 HydrophobicContact CB-CD2 4.48Å; L189-F191 HydrophobicContact CB-CE1 3.94Å; L189-F191 HydrophobicContact CB-CE2 4.09Å; L189-F191 HydrophobicContact CB-CZ 3.81Å; L189-F191 HydrophobicContact CD1-CE1 3.96Å; L189-F191 HydrophobicContact CD1-CZ 3.95Å; L189-F191 HydrophobicContact CG-CZ 4.42Å; L189-F191 WeakPolarHBondContact O-CD2 3.32Å; L189-F191 PolarHBondContact O-N 2.78Å; F191-R193 VanDerWaalsContact C-N 3.31Å; F191-R193 PolarHBondContact O-N 3.41Å; F191-L194 PolarHBondContact O-N 3.05Å; F191-E195 PolarHBondContact O-N 2.9Å; F191-D217 HydrophobicContact CZ-CB 4.42Å; F191-Q220 HydrophobicContact CD1-CG 3.79Å; F191-Q220 HydrophobicContact CE1-CB 3.89Å; F191-Q220 HydrophobicContact CE1-CG 3.6Å; F191-Q220 HydrophobicContact CE2-CG 4.41Å; F191-Q220 HydrophobicContact CG-CG 4.27Å; F191-Q220 HydrophobicContact CZ-CB 4.14Å; F191-Q220 HydrophobicContact CZ-CG 3.93Å; F191-T221 HydrophobicContact CD1-CG2 4.33Å; F191-T221 HydrophobicContact CE1-CG2 3.77Å; F191-L224 HydrophobicContact CB-CD1 3.77Å; F191-L224 HydrophobicContact CD1-CD1 3.82Å; F191-L224 HydrophobicContact CG-CD1 4.19Å
192S97.1Very high91.3Very high89 Ų8969.2 Ų69.262%0.62239%0.393SS*.Hα-helixtrans-63-39.8176.5-58.70000111.3D190 N196D190-S192 VanDerWaalsContact C-N 3.26Å; D190-S192 PolarHBondContact O-N 3.39Å; S192-N196 WeakPolarHBondContact O-CB 3.05Å; S192-N196 PolarHBondContact O-N 3.45Å
193R96.3Very high92.2Very high68 Ų6866.2 Ų66.226%0.25738%0.379SS..Hα-helixtrans-65.9-43172.6175.7-175.8-56.2-79.9-9.9112.2T155 P157 D190 F191 E195 N196 I197T155-R193 VanDerWaalsContact O-CD 3.27Å; T155-R193 WeakPolarHBondContact O-CD 3.14Å; T155-R193 PolarHBondContact O-NH1 2.83Å; P157-R193 HydrophobicContact CG-CG 4.36Å; D190-R193 HydrophobicContact CB-CB 3.96Å; D190-R193 WeakPolarHBondContact O-CB 3.39Å; D190-R193 PolarHBondContact O-N 2.99Å; D190-R193 VanDerWaalsContact OD1-CB 3.31Å; D190-R193 WeakPolarHBondContact OD1-CB 3.1Å; D190-R193 PolarHBondContact OD1-N 2.85Å; D190-R193 VanDerWaalsContact OD2-CB 3.32Å; D190-R193 WeakPolarHBondContact OD2-CB 3.39Å; D190-R193 IonicContact OD2-CZ 3.76Å; D190-R193 IonicContact OD2-NE 3.29Å; D190-R193 PolarHBondContact OD2-NE 2.64Å; D190-R193 IonicContact OD2-NH2 3.83Å; D190-R193 PolarHBondContact OD2-NH2 2.89Å; D190-R193 VanDerWaalsContact OD2-NH2 3.16Å; F191-R193 VanDerWaalsContact C-N 3.31Å; F191-R193 PolarHBondContact O-N 3.41Å; R193-E195 VanDerWaalsContact C-N 3.33Å; R193-E195 PolarHBondContact O-N 3.47Å; R193-N196 PolarHBondContact O-N 3.39Å; R193-I197 HydrophobicContact CG-CD1 3.89Å; R193-I197 HydrophobicContact CG-CG1 4.44Å; R193-I197 VanDerWaalsContact O-CG1 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.37Å; R193-I197 PolarHBondContact O-N 3.36Å
194L98Very high93Very high0 Ų064.1 Ų64.10%037%0.371CS..Hα-helixtrans-59.3-45.7176.4179.659.8000111.4V174 I176 D190 F191 N196 I197 R198 L205 T221 L224 I226V174-L194 HydrophobicContact CG2-CD1 4.16Å; I176-L194 HydrophobicContact CD1-CB 4.18Å; I176-L194 HydrophobicContact CD1-CD2 3.95Å; I176-L194 HydrophobicContact CD1-CG 4.47Å; I176-L194 HydrophobicContact CG2-CB 4.34Å; D190-L194 PolarHBondContact O-N 2.84Å; D190-L194 VanDerWaalsContact O-N 3.09Å; F191-L194 PolarHBondContact O-N 3.05Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 2.81Å; L194-I197 PolarHBondContact O-N 3.13Å; L194-R198 WeakPolarHBondContact O-CB 3.38Å; L194-R198 PolarHBondContact O-N 3Å; L194-L205 HydrophobicContact CD1-CD1 3.93Å; L194-T221 HydrophobicContact CD2-CG2 4.13Å; L194-L224 HydrophobicContact CD2-CB 3.6Å; L194-L224 HydrophobicContact CD2-CD1 4.09Å; L194-L224 HydrophobicContact CG-CB 3.84Å; L194-L224 HydrophobicContact CG-CD1 4.48Å; L194-I226 HydrophobicContact CD1-CD1 3.79Å; L194-I226 HydrophobicContact CD1-CG1 4.23Å; L194-I226 HydrophobicContact CD2-CD1 4.4Å; L194-I226 HydrophobicContact CD2-CG1 3.97Å
195E97.6Very high94Very high106 Ų10658.6 Ų58.650%0.49533%0.325SS..Hα-helixtrans-58.7-44.4175.2-173173.3-130.100111.5F191 R193 R198 Q199 L224F191-E195 PolarHBondContact O-N 2.9Å; R193-E195 VanDerWaalsContact C-N 3.33Å; R193-E195 PolarHBondContact O-N 3.47Å; E195-R198 PolarHBondContact O-N 3Å; E195-Q199 WeakPolarHBondContact O-CG 3.39Å; E195-Q199 PolarHBondContact O-N 2.82Å; E195-L224 HydrophobicContact CB-CD2 4.13Å; E195-L224 HydrophobicContact CG-CD2 4.33Å
196N96.6Very high95Very high63 Ų6354.1 Ų54.134%0.33729%0.294SS..Hα-helixtrans-64-46.1177.2-166.3-14.2000111.7P157 S192 R193 L194 R198 Q199 W200P157-N196 HydrophobicContact CB-CB 4.1Å; P157-N196 HydrophobicContact CG-CB 3.89Å; S192-N196 WeakPolarHBondContact O-CB 3.05Å; S192-N196 PolarHBondContact O-N 3.45Å; R193-N196 PolarHBondContact O-N 3.39Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 2.81Å; N196-R198 VanDerWaalsContact C-N 3.26Å; N196-R198 PolarHBondContact O-N 2.94Å; N196-Q199 WeakPolarHBondContact O-CB 3.42Å; N196-Q199 PolarHBondContact O-N 3.21Å; N196-Q199 VanDerWaalsContact O-N 3.13Å; N196-W200 PolarHBondContact OD1-NE1 3.48Å; N196-W200 VanDerWaalsContact OD1-NE1 3.11Å
197I97.6Very high96Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-56-44.6175-67.1160.3000110.5T155 P157 A160 V174 I176 R193 L194 Q199 W200 V201 L205T155-I197 HydrophobicContact CG2-CD1 3.79Å; T155-I197 HydrophobicContact CG2-CG1 4.33Å; P157-I197 HydrophobicContact CB-CG1 4.06Å; P157-I197 HydrophobicContact CG-CG1 4.01Å; A160-I197 HydrophobicContact CB-CG2 4.06Å; V174-I197 HydrophobicContact CB-CD1 4.32Å; V174-I197 HydrophobicContact CG1-CD1 4.23Å; V174-I197 HydrophobicContact CG1-CG2 4.24Å; I176-I197 HydrophobicContact CG2-CD1 4.37Å; R193-I197 HydrophobicContact CG-CD1 3.89Å; R193-I197 HydrophobicContact CG-CG1 4.44Å; R193-I197 VanDerWaalsContact O-CG1 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.37Å; R193-I197 PolarHBondContact O-N 3.36Å; L194-I197 PolarHBondContact O-N 3.13Å; I197-Q199 PolarHBondContact O-N 3.31Å; I197-W200 PolarHBondContact O-N 3.05Å; I197-W200 VanDerWaalsContact O-N 3.07Å; I197-V201 HydrophobicContact CG2-CB 4.48Å; I197-V201 HydrophobicContact CG2-CG2 4.03Å; I197-V201 PolarHBondContact O-N 2.81Å; I197-L205 HydrophobicContact CG2-CD1 4.12Å; I197-L205 HydrophobicContact CG2-CD2 4.06Å
198R97.2Very high96.5Very high47 Ų4748.8 Ų48.818%0.17725%0.252CS..Hα-helixtrans-61.1-31.4-179.1-178.971.4-70.6162.611.5113Q14 L194 E195 N196 W200 V201 L203 L205 L224 G225Q14-R198 VanDerWaalsContact NE2-NH1 3.19Å; L194-R198 WeakPolarHBondContact O-CB 3.38Å; L194-R198 PolarHBondContact O-N 3Å; E195-R198 PolarHBondContact O-N 3Å; N196-R198 VanDerWaalsContact C-N 3.26Å; N196-R198 PolarHBondContact O-N 2.94Å; R198-W200 VanDerWaalsContact C-N 3.26Å; R198-W200 PolarHBondContact O-N 3.2Å; R198-V201 PolarHBondContact NE-O 3.34Å; R198-V201 PolarHBondContact NH2-O 3.31Å; R198-L203 VanDerWaalsContact CZ-O 3.31Å; R198-L203 PolarHBondContact NH1-O 3.03Å; R198-L203 PolarHBondContact NH2-O 3.48Å; R198-L205 HydrophobicContact CB-CD1 4.26Å; R198-L224 WeakPolarHBondContact CB-O 3.43Å; R198-L224 WeakPolarHBondContact CG-O 3.44Å; R198-G225 PolarHBondContact NH1-O 3.49Å
199Q96Very high96.8Very high139 Ų13945 Ų4565%0.6522%0.221SC*.Hα-helixtrans-67-26.2176.8-69.2174.44.200113.1E195 N196 I197E195-Q199 WeakPolarHBondContact O-CG 3.39Å; E195-Q199 PolarHBondContact O-N 2.82Å; N196-Q199 WeakPolarHBondContact O-CB 3.42Å; N196-Q199 PolarHBondContact O-N 3.21Å; N196-Q199 VanDerWaalsContact O-N 3.13Å; I197-Q199 PolarHBondContact O-N 3.31Å
200W93.4Very high96.7Very high117 Ų11744.3 Ų44.344%0.44322%0.218SC..Hα-helixtrans-104.3-32.3-174.5-66.5106.7000114.2R161 N196 I197 R198R161-W200 HydrophobicContact CB-CB 4.04Å; N196-W200 PolarHBondContact OD1-NE1 3.48Å; N196-W200 VanDerWaalsContact OD1-NE1 3.11Å; I197-W200 PolarHBondContact O-N 3.05Å; I197-W200 VanDerWaalsContact O-N 3.07Å; R198-W200 VanDerWaalsContact C-N 3.26Å; R198-W200 PolarHBondContact O-N 3.2Å
201V96.8Very high96.5Very high3 Ų342.3 Ų42.32%0.01821%0.208CC..  trans-96.3141.7179.6-179.80000107.6A160 A164 L172 I197 R198 L203 L205A160-V201 HydrophobicContact CB-CG2 3.77Å; A164-V201 HydrophobicContact CB-CG1 4.44Å; L172-V201 HydrophobicContact CD2-CG1 4.34Å; L172-V201 HydrophobicContact CD2-CG2 4.16Å; I197-V201 HydrophobicContact CG2-CB 4.48Å; I197-V201 HydrophobicContact CG2-CG2 4.03Å; I197-V201 PolarHBondContact O-N 2.81Å; R198-V201 PolarHBondContact NE-O 3.34Å; R198-V201 PolarHBondContact NH2-O 3.31Å; V201-L203 HydrophobicContact CG1-CB 3.96Å; V201-L203 HydrophobicContact CG1-CG 4.32Å; V201-L205 HydrophobicContact CB-CD2 4.37Å; V201-L205 HydrophobicContact CG1-CD2 4Å
202N96.2Very high96Very high141 Ų14141.6 Ų41.675%0.75422%0.216SC*.  trans-106.3-12.4172.4-73.1-44.1000113.3Q14Q14-N202 PolarHBondContact NE2-O 3.3Å
203L98.1Very high95.8Very high44 Ų4437.7 Ų37.723%0.2319%0.189CC..SBendtrans-68.4153.9179.5-57.4176.7000112.3A164 I169 R198 V201 L205A164-L203 HydrophobicContact CB-CD1 3.79Å; I169-L203 HydrophobicContact CG1-CD1 3.75Å; I169-L203 WeakPolarHBondContact O-CD1 2.89Å; R198-L203 VanDerWaalsContact CZ-O 3.31Å; R198-L203 PolarHBondContact NH1-O 3.03Å; R198-L203 PolarHBondContact NH2-O 3.48Å; V201-L203 HydrophobicContact CG1-CB 3.96Å; V201-L203 HydrophobicContact CG1-CG 4.32Å; L203-L205 PolarHBondContact O-N 3.18Å
204P98.7Very high95.7Very high3 Ų337 Ų372%0.01919%0.194CC..PPolyproline II helixtrans-49.4126.5165-2835.1000111.9L10 D170 S171 L172 C227L10-P204 HydrophobicContact CB-CB 3.8Å; L10-P204 HydrophobicContact CB-CG 3.81Å; L10-P204 HydrophobicContact CD1-CB 4.37Å; D170-P204 WeakPolarHBondContact O-CD 3.49Å; S171-P204 WeakPolarHBondContact CA-O 3.44Å; S171-P204 WeakPolarHBondContact CB-O 3.43Å; L172-P204 PolarHBondContact N-O 2.78Å; P204-C227 HydrophobicContact CB-CB 3.83Å
205L98.8Very high95.6Very high0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-92.4148.5175.7-61176.6000110L172 V174 L194 I197 R198 V201 L203 I226 C227 K228L172-L205 HydrophobicContact CB-CD2 4.15Å; L172-L205 HydrophobicContact CD2-CD2 4.22Å; L172-L205 HydrophobicContact CG-CD2 4.49Å; L172-L205 CarbonylContact O-C 3.51Å; L172-L205 WeakPolarHBondContact O-CA 3.41Å; V174-L205 HydrophobicContact CG1-CD2 4.16Å; L194-L205 HydrophobicContact CD1-CD1 3.93Å; I197-L205 HydrophobicContact CG2-CD1 4.12Å; I197-L205 HydrophobicContact CG2-CD2 4.06Å; R198-L205 HydrophobicContact CB-CD1 4.26Å; V201-L205 HydrophobicContact CB-CD2 4.37Å; V201-L205 HydrophobicContact CG1-CD2 4Å; L203-L205 PolarHBondContact O-N 3.18Å; L205-I226 HydrophobicContact CB-CD1 3.75Å; L205-C227 PolarHBondContact O-N 3.28Å; L205-K228 PolarHBondContact O-N 3.43Å
206V98.9Very high95.6Very high0 Ų042.1 Ų42.10%022%0.219CC..EExtended strand (participates in β ladder)trans-125.5137.2-174.1-178.90000110E132 L172 A173 V174 K228E132-V206 HydrophobicContact CG-CG2 4.41Å; E132-V206 WeakPolarHBondContact OE1-CG1 3.33Å; L172-V206 PolarHBondContact O-N 2.76Å; A173-V206 WeakPolarHBondContact CA-O 3.28Å; A173-V206 HydrophobicContact CB-CB 4.18Å; A173-V206 HydrophobicContact CB-CG1 4.45Å; V174-V206 PolarHBondContact N-O 3.01Å; V174-V206 VanDerWaalsContact N-O 3.1Å; V206-K228 HydrophobicContact CB-CB 4.18Å; V206-K228 HydrophobicContact CB-CD 4.45Å; V206-K228 HydrophobicContact CG1-CB 3.79Å; V206-K228 HydrophobicContact CG1-CD 3.6Å; V206-K228 HydrophobicContact CG1-CG 3.71Å; V206-K228 HydrophobicContact CG2-CB 3.84Å; V206-K228 HydrophobicContact CG2-CD 4.09Å; V206-K228 HydrophobicContact CG2-CG 4.45Å
207L98.3Very high95.6Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-111.5115.9175.2-170.672.2000109.9I176 T178 A210 L213 T221 I226 K228 I229 N230I176-L207 HydrophobicContact CD1-CD1 3.89Å; I176-L207 HydrophobicContact CG1-CD1 3.87Å; T178-L207 HydrophobicContact CG2-CD1 3.82Å; T178-L207 HydrophobicContact CG2-CD2 4.36Å; T178-L207 HydrophobicContact CG2-CG 4.17Å; L207-A210 HydrophobicContact CD2-CB 4.48Å; L207-L213 HydrophobicContact CD2-CD1 3.88Å; L207-T221 HydrophobicContact CD2-CG2 4.06Å; L207-I226 HydrophobicContact CB-CD1 4.1Å; L207-I226 HydrophobicContact CB-CG1 4.19Å; L207-I226 HydrophobicContact CB-CG2 3.8Å; L207-K228 PolarHBondContact N-O 3.21Å; L207-I229 HydrophobicContact CB-CD1 4.01Å; L207-I229 HydrophobicContact CD2-CD1 4.02Å; L207-N230 PolarHBondContact O-N 3Å
208H96.8Very high95.6Very high0 Ų041 Ų410%021%0.213CC..  trans-92.7164.2168.3-75.5-92.4000111D82 H83 M102 E132 L138 T178 A210 N230D82-H208 IonicContact OD1-CE1 3.08Å; D82-H208 PolarHBondContact OD1-CE1 3.45Å; D82-H208 VanDerWaalsContact OD1-CE1 3.31Å; H83-H208 AromaticContact NE2-CE1 3.9Å; H83-H208 AromaticContact NE2-ND1 3.7Å; M102-H208 VanDerWaalsContact SD-CE1 3.58Å; E132-H208 IonicContact OE1-CD2 3.07Å; E132-H208 IonicContact OE1-CE1 3.84Å; E132-H208 IonicContact OE1-NE2 3.22Å; E132-H208 PolarHBondContact OE1-NE2 2.94Å; L138-H208 HydrophobicContact CD2-CB 3.71Å; L138-H208 WeakPolarHBondContact CD2-O 3.05Å; T178-H208 VanDerWaalsContact CB-O 3.24Å; T178-H208 WeakPolarHBondContact CB-O 3.23Å; T178-H208 PolarHBondContact OG1-O 3.24Å; H208-A210 PolarHBondContact O-N 3.47Å; H208-N230 HydrophobicContact CB-CB 4.42Å; H208-N230 VanDerWaalsContact CE1-CG 3.5Å; H208-N230 VanDerWaalsContact ND1-CB 3.32Å; H208-N230 WeakPolarHBondContact ND1-CB 3.47Å; H208-N230 VanDerWaalsContact ND1-CG 3.31Å; H208-N230 PolarHBondContact ND1-ND2 3.05Å
209G92.9Very high95.6Very high7 Ų742.7 Ų42.77%0.07222%0.223CC..  trans67.231.8-178.700000114A179 Y183 S211A179-G209 VanDerWaalsContact O-CA 3.22Å; A179-G209 WeakPolarHBondContact O-CA 3.44Å; Y183-G209 PolarHBondContact OH-O 2.9Å; G209-S211 VanDerWaalsContact C-N 3.31Å; G209-S211 PolarHBondContact O-N 3.32Å
210A92.4Very high95.7Very high2 Ų239.3 Ų39.32%0.01721%0.207CC..  trans-80.1-9.9-175.100000114.6L207 H208 G212 L213 I229 N230L207-A210 HydrophobicContact CD2-CB 4.48Å; H208-A210 PolarHBondContact O-N 3.47Å; A210-G212 PolarHBondContact O-N 3.09Å; A210-L213 HydrophobicContact CB-CD1 4.16Å; A210-L213 WeakPolarHBondContact O-CB 3.04Å; A210-L213 WeakPolarHBondContact O-CG 3.34Å; A210-L213 PolarHBondContact O-N 2.98Å; A210-L213 VanDerWaalsContact O-N 3.09Å; A210-I229 HydrophobicContact CB-CG2 3.35Å; A210-N230 WeakPolarHBondContact CB-O 3.43Å; A210-N230 PolarHBondContact N-O 3.37Å
211S90.3Very high96Very high3 Ų333.7 Ų33.72%0.02119%0.186CC..THydrogen-bonded Turntrans-58.1125.8-180-64.70000111.7Y183 G209 L213 A232 T233 E234Y183-S211 WeakPolarHBondContact CD2-O 3.33Å; Y183-S211 WeakPolarHBondContact CE2-O 3.36Å; G209-S211 VanDerWaalsContact C-N 3.31Å; G209-S211 PolarHBondContact O-N 3.32Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 2.89Å; S211-A232 PolarHBondContact OG-N 3.45Å; S211-T233 PolarHBondContact OG-N 3.07Å; S211-E234 PolarHBondContact OG-N 3.23Å
212G87.7Confident96.1Very high42 Ų4234.3 Ų34.343%0.43319%0.189SC..THydrogen-bonded Turntrans79.32.8-178.600000116A210 E234A210-G212 PolarHBondContact O-N 3.09Å; G212-E234 PolarHBondContact N-OE2 3.39Å; G212-E234 VanDerWaalsContact N-OE2 3.13Å
213L93.1Very high96.2Very high7 Ų735.3 Ų35.34%0.03719%0.186CC..  trans-66.5150.1167.1-67.4-176.6000111.1T178 Y183 P187 L189 L207 A210 S211 I218T178-L213 HydrophobicContact CG2-CD1 3.98Å; Y183-L213 HydrophobicContact CE2-CD2 3.8Å; Y183-L213 HydrophobicContact CE2-CG 4.21Å; P187-L213 HydrophobicContact CG-CD2 3.41Å; P187-L213 VanDerWaalsContact CG-CD2 3.41Å; L189-L213 HydrophobicContact CD1-CD1 4.25Å; L189-L213 HydrophobicContact CD1-CD2 4.34Å; L207-L213 HydrophobicContact CD2-CD1 3.88Å; A210-L213 HydrophobicContact CB-CD1 4.16Å; A210-L213 WeakPolarHBondContact O-CB 3.04Å; A210-L213 WeakPolarHBondContact O-CG 3.34Å; A210-L213 PolarHBondContact O-N 2.98Å; A210-L213 VanDerWaalsContact O-N 3.09Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 2.89Å; L213-I218 HydrophobicContact CB-CD1 4.24Å; L213-I218 HydrophobicContact CB-CG1 3.87Å; L213-I218 HydrophobicContact CD1-CG1 4.4Å
214S94.3Very high96.2Very high52 Ų5234.4 Ų34.436%0.36418%0.181SC..  trans-70.9150.3174.280.50000110.8K216 D217 I218S214-K216 PolarHBondContact O-N 2.96Å; S214-K216 VanDerWaalsContact O-N 3.17Å; S214-D217 PolarHBondContact O-N 2.95Å; S214-D217 PolarHBondContact OG-N 2.75Å; S214-D217 VanDerWaalsContact OG-N 3.1Å; S214-D217 PolarHBondContact OG-OD2 2.9Å; S214-I218 PolarHBondContact O-N 3.17Å
215T96.1Very high96.1Very high51 Ų5135 Ų3531%0.31319%0.188SC..Hα-helixtrans-51.1-39.6172-62.60000111.5Q219 D277T215-Q219 HydrophobicContact CG2-CG 4.32Å; T215-Q219 WeakPolarHBondContact O-CB 3.48Å; T215-Q219 VanDerWaalsContact O-CG 3.24Å; T215-Q219 WeakPolarHBondContact O-CG 3.36Å; T215-Q219 PolarHBondContact O-N 3.48Å; T215-D277 VanDerWaalsContact CB-OD1 3.23Å; T215-D277 WeakPolarHBondContact CB-OD1 3.45Å; T215-D277 WeakPolarHBondContact CG2-OD1 3.42Å; T215-D277 PolarHBondContact OG1-OD1 2.91Å; T215-D277 PolarHBondContact OG1-OD2 3.49Å
216K96.9Very high96.1Very high164 Ų16435 Ų3571%0.71319%0.188SC*.Hα-helixtrans-63.1-43.3178.8-177-176.8174.1-171.80111.6S214 Q220S214-K216 PolarHBondContact O-N 2.96Å; S214-K216 VanDerWaalsContact O-N 3.17Å; K216-Q220 VanDerWaalsContact O-CB 3.26Å; K216-Q220 WeakPolarHBondContact O-CB 3.39Å; K216-Q220 PolarHBondContact O-N 3.34Å
217D96.7Very high96.1Very high35 Ų3535.1 Ų35.119%0.18719%0.189CC..Hα-helixtrans-69.5-44.9-179.9-63.2-39.7000111.1L189 F191 S214 Q219 Q220 T221L189-D217 HydrophobicContact CD1-CB 4.02Å; F191-D217 HydrophobicContact CZ-CB 4.42Å; S214-D217 PolarHBondContact O-N 2.95Å; S214-D217 PolarHBondContact OG-N 2.75Å; S214-D217 VanDerWaalsContact OG-N 3.1Å; S214-D217 PolarHBondContact OG-OD2 2.9Å; D217-Q219 PolarHBondContact O-N 3.5Å; D217-Q220 PolarHBondContact O-N 2.66Å; D217-Q220 VanDerWaalsContact O-N 3.15Å; D217-T221 WeakPolarHBondContact O-CG2 3.39Å; D217-T221 PolarHBondContact O-N 3.02Å
218I97.9Very high96.2Very high5 Ų535.1 Ų35.13%0.02619%0.189CC..Hα-helixtrans-54.8-54.8174.3-66.7172000109.7L213 S214 Q220 T221 I222 I229 D277L213-I218 HydrophobicContact CB-CD1 4.24Å; L213-I218 HydrophobicContact CB-CG1 3.87Å; L213-I218 HydrophobicContact CD1-CG1 4.4Å; S214-I218 PolarHBondContact O-N 3.17Å; I218-Q220 VanDerWaalsContact C-N 3.26Å; I218-Q220 PolarHBondContact O-N 2.98Å; I218-T221 PolarHBondContact O-N 3.1Å; I218-T221 VanDerWaalsContact O-N 3.11Å; I218-T221 PolarHBondContact O-OG1 2.61Å; I218-I222 HydrophobicContact CG2-CD1 3.8Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.48Å; I218-I229 HydrophobicContact CG2-CD1 4.25Å; I218-I229 HydrophobicContact CG2-CG1 4.34Å; I218-D277 HydrophobicContact CB-CB 4.41Å; I218-D277 HydrophobicContact CD1-CB 4.07Å; I218-D277 HydrophobicContact CG2-CB 4.01Å
219Q98.4Very high96.3Very high81 Ų8135.1 Ų35.138%0.37919%0.189SC..Hα-helixtrans-61.3-33.7179.4-71.7177.4-8.500113T215 D217 I222 K223 D277T215-Q219 HydrophobicContact CG2-CG 4.32Å; T215-Q219 WeakPolarHBondContact O-CB 3.48Å; T215-Q219 VanDerWaalsContact O-CG 3.24Å; T215-Q219 WeakPolarHBondContact O-CG 3.36Å; T215-Q219 PolarHBondContact O-N 3.48Å; D217-Q219 PolarHBondContact O-N 3.5Å; Q219-I222 PolarHBondContact O-N 2.89Å; Q219-K223 WeakPolarHBondContact O-CG 3.22Å; Q219-K223 PolarHBondContact O-N 2.94Å; Q219-D277 WeakPolarHBondContact CG-O 3.37Å
220Q98.2Very high96.5Very high68 Ų6835 Ų3532%0.31819%0.187SC..Hα-helixtrans-67.3-43.1175.3-175.459.324.300111.5F191 K216 D217 I218 I222 K223 L224F191-Q220 HydrophobicContact CD1-CG 3.79Å; F191-Q220 HydrophobicContact CE1-CB 3.89Å; F191-Q220 HydrophobicContact CE1-CG 3.6Å; F191-Q220 HydrophobicContact CE2-CG 4.41Å; F191-Q220 HydrophobicContact CG-CG 4.27Å; F191-Q220 HydrophobicContact CZ-CB 4.14Å; F191-Q220 HydrophobicContact CZ-CG 3.93Å; K216-Q220 VanDerWaalsContact O-CB 3.26Å; K216-Q220 WeakPolarHBondContact O-CB 3.39Å; K216-Q220 PolarHBondContact O-N 3.34Å; D217-Q220 PolarHBondContact O-N 2.66Å; D217-Q220 VanDerWaalsContact O-N 3.15Å; I218-Q220 VanDerWaalsContact C-N 3.26Å; I218-Q220 PolarHBondContact O-N 2.98Å; Q220-I222 VanDerWaalsContact C-N 3.3Å; Q220-I222 PolarHBondContact O-N 3.41Å; Q220-K223 PolarHBondContact O-N 3.09Å; Q220-L224 HydrophobicContact CG-CD1 4.42Å; Q220-L224 WeakPolarHBondContact O-CG 3.48Å; Q220-L224 PolarHBondContact O-N 3.3Å
221T98.5Very high96.7Very high0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-63.2-36.6175.166.50000112.5I176 L189 F191 L194 L207 D217 I218 L224 G225 I226I176-T221 HydrophobicContact CD1-CG2 4.22Å; L189-T221 HydrophobicContact CD1-CG2 3.96Å; F191-T221 HydrophobicContact CD1-CG2 4.33Å; F191-T221 HydrophobicContact CE1-CG2 3.77Å; L194-T221 HydrophobicContact CD2-CG2 4.13Å; L207-T221 HydrophobicContact CD2-CG2 4.06Å; D217-T221 WeakPolarHBondContact O-CG2 3.39Å; D217-T221 PolarHBondContact O-N 3.02Å; I218-T221 PolarHBondContact O-N 3.1Å; I218-T221 VanDerWaalsContact O-N 3.11Å; I218-T221 PolarHBondContact O-OG1 2.61Å; T221-L224 CarbonylContact O-C 3.42Å; T221-L224 PolarHBondContact O-N 2.97Å; T221-L224 VanDerWaalsContact O-N 3.16Å; T221-G225 PolarHBondContact O-N 3.28Å; T221-G225 VanDerWaalsContact O-N 3.15Å; T221-I226 WeakPolarHBondContact O-CB 3.48Å; T221-I226 WeakPolarHBondContact O-CG1 3.13Å; T221-I226 PolarHBondContact O-N 2.73Å
222I98.6Very high96.9Very high16 Ų1635.1 Ų35.18%0.08219%0.188CC..Hα-helixtrans-64.5-44.7176.4-65.5169.3000110.8A19 I218 Q219 Q220 L224 G225A19-I222 HydrophobicContact CB-CD1 3.81Å; A19-I222 HydrophobicContact CB-CG1 3.79Å; I218-I222 HydrophobicContact CG2-CD1 3.8Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.48Å; Q219-I222 PolarHBondContact O-N 2.89Å; Q220-I222 VanDerWaalsContact C-N 3.3Å; Q220-I222 PolarHBondContact O-N 3.41Å; I222-L224 PolarHBondContact O-N 3.38Å; I222-G225 WeakPolarHBondContact O-CA 3.24Å; I222-G225 PolarHBondContact O-N 3.41Å
223K98.3Very high97.2Very high162 Ų16234 Ų3470%0.70417%0.172SC*.Hα-helixtrans-57.8-31.3174.2-74.1171.4-175.2173.30112.7Q219 Q220 G225Q219-K223 WeakPolarHBondContact O-CG 3.22Å; Q219-K223 PolarHBondContact O-N 2.94Å; Q220-K223 PolarHBondContact O-N 3.09Å; K223-G225 VanDerWaalsContact C-N 3.31Å
224L98.3Very high97.2Very high24 Ų2435.3 Ų35.313%0.12618%0.178CC..THydrogen-bonded Turntrans-88.43.6177.4-63.3174.3000113.3F191 L194 E195 R198 Q220 T221 I222F191-L224 HydrophobicContact CB-CD1 3.77Å; F191-L224 HydrophobicContact CD1-CD1 3.82Å; F191-L224 HydrophobicContact CG-CD1 4.19Å; L194-L224 HydrophobicContact CD2-CB 3.6Å; L194-L224 HydrophobicContact CD2-CD1 4.09Å; L194-L224 HydrophobicContact CG-CB 3.84Å; L194-L224 HydrophobicContact CG-CD1 4.48Å; E195-L224 HydrophobicContact CB-CD2 4.13Å; E195-L224 HydrophobicContact CG-CD2 4.33Å; R198-L224 WeakPolarHBondContact CB-O 3.43Å; R198-L224 WeakPolarHBondContact CG-O 3.44Å; Q220-L224 HydrophobicContact CG-CD1 4.42Å; Q220-L224 WeakPolarHBondContact O-CG 3.48Å; Q220-L224 PolarHBondContact O-N 3.3Å; T221-L224 CarbonylContact O-C 3.42Å; T221-L224 PolarHBondContact O-N 2.97Å; T221-L224 VanDerWaalsContact O-N 3.16Å; I222-L224 PolarHBondContact O-N 3.38Å
225G97.7Very high97.3Very high15 Ų1532.9 Ų32.916%0.15516%0.161CC..THydrogen-bonded Turntrans107.312.3166.500000116.3R198 T221 I222 K223 C227R198-G225 PolarHBondContact NH1-O 3.49Å; T221-G225 PolarHBondContact O-N 3.28Å; T221-G225 VanDerWaalsContact O-N 3.15Å; I222-G225 WeakPolarHBondContact O-CA 3.24Å; I222-G225 PolarHBondContact O-N 3.41Å; K223-G225 VanDerWaalsContact C-N 3.31Å; G225-C227 PolarHBondContact O-N 2.88Å; G225-C227 PolarHBondContact O-SG 3.38Å
226I98.8Very high97.2Very high1 Ų133.8 Ų33.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-65.1129.8165-64.4-56.7000109.9V174 L194 L205 L207 T221 K228 I229V174-I226 HydrophobicContact CG2-CD1 4.05Å; L194-I226 HydrophobicContact CD1-CD1 3.79Å; L194-I226 HydrophobicContact CD1-CG1 4.23Å; L194-I226 HydrophobicContact CD2-CD1 4.4Å; L194-I226 HydrophobicContact CD2-CG1 3.97Å; L205-I226 HydrophobicContact CB-CD1 3.75Å; L207-I226 HydrophobicContact CB-CD1 4.1Å; L207-I226 HydrophobicContact CB-CG1 4.19Å; L207-I226 HydrophobicContact CB-CG2 3.8Å; T221-I226 WeakPolarHBondContact O-CB 3.48Å; T221-I226 WeakPolarHBondContact O-CG1 3.13Å; T221-I226 PolarHBondContact O-N 2.73Å; I226-K228 VanDerWaalsContact CG2-O 3.23Å; I226-K228 WeakPolarHBondContact CG2-O 3.34Å; I226-I229 HydrophobicContact CG2-CD1 3.49Å; I226-I229 VanDerWaalsContact CG2-CD1 3.49Å; I226-I229 HydrophobicContact CG2-CG1 4.37Å
227C98.8Very high97.1Very high2 Ų229.6 Ų29.61%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-118-13.3-175.6-59.40000113A13 Q14 A19 V20 P204 L205 G225A13-C227 HydrophobicContact CB-CB 4.25Å; Q14-C227 VanDerWaalsContact CB-SG 3.54Å; A19-C227 CarbonylContact C-O 3.55Å; A19-C227 VanDerWaalsContact CA-O 3.28Å; A19-C227 WeakPolarHBondContact CA-O 3.31Å; V20-C227 PolarHBondContact N-O 2.9Å; P204-C227 HydrophobicContact CB-CB 3.83Å; L205-C227 PolarHBondContact O-N 3.28Å; G225-C227 PolarHBondContact O-N 2.88Å; G225-C227 PolarHBondContact O-SG 3.38Å
228K98.9Very high97.2Very high1 Ų128.8 Ų28.80%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-135.5135.2173.9173.5-178.1168.8-103.10109.7L10 V20 A22 I46 E132 L205 V206 L207 I226 N230L10-K228 HydrophobicContact CD2-CB 3.84Å; V20-K228 VanDerWaalsContact O-CA 3.29Å; V20-K228 WeakPolarHBondContact O-CA 3.23Å; A22-K228 HydrophobicContact CB-CD 4.27Å; A22-K228 VanDerWaalsContact CB-CE 3.45Å; A22-K228 HydrophobicContact CB-CG 4.14Å; I46-K228 HydrophobicContact CD1-CD 4.06Å; I46-K228 HydrophobicContact CD1-CG 4.31Å; E132-K228 VanDerWaalsContact CD-NZ 3.33Å; E132-K228 IonicContact OE1-NZ 2.74Å; E132-K228 PolarHBondContact OE1-NZ 3.43Å; E132-K228 VanDerWaalsContact OE2-CD 3.25Å; E132-K228 WeakPolarHBondContact OE2-CD 3.37Å; E132-K228 WeakPolarHBondContact OE2-CE 3.39Å; E132-K228 IonicContact OE2-NZ 2.81Å; E132-K228 PolarHBondContact OE2-NZ 3.44Å; E132-K228 VanDerWaalsContact OE2-NZ 3.08Å; L205-K228 PolarHBondContact O-N 3.43Å; V206-K228 HydrophobicContact CB-CB 4.18Å; V206-K228 HydrophobicContact CB-CD 4.45Å; V206-K228 HydrophobicContact CG1-CB 3.79Å; V206-K228 HydrophobicContact CG1-CD 3.6Å; V206-K228 HydrophobicContact CG1-CG 3.71Å; V206-K228 HydrophobicContact CG2-CB 3.84Å; V206-K228 HydrophobicContact CG2-CD 4.09Å; V206-K228 HydrophobicContact CG2-CG 4.45Å; L207-K228 PolarHBondContact N-O 3.21Å; I226-K228 VanDerWaalsContact CG2-O 3.23Å; I226-K228 WeakPolarHBondContact CG2-O 3.34Å; K228-N230 WeakPolarHBondContact CE-OD1 3.47Å; K228-N230 PolarHBondContact NZ-OD1 3.48Å; K228-N230 VanDerWaalsContact NZ-OD1 3.11Å
229I98.6Very high97.2Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-117.4116.2176.1-60-65.2000108.1A19 V20 P21 A22 L207 A210 I218 I226 V231A19-I229 HydrophobicContact CB-CG1 3.78Å; V20-I229 PolarHBondContact O-N 2.59Å; V20-I229 VanDerWaalsContact O-N 3.14Å; P21-I229 WeakPolarHBondContact CA-O 3.2Å; A22-I229 PolarHBondContact N-O 2.81Å; L207-I229 HydrophobicContact CB-CD1 4.01Å; L207-I229 HydrophobicContact CD2-CD1 4.02Å; A210-I229 HydrophobicContact CB-CG2 3.35Å; I218-I229 HydrophobicContact CG2-CD1 4.25Å; I218-I229 HydrophobicContact CG2-CG1 4.34Å; I226-I229 HydrophobicContact CG2-CD1 3.49Å; I226-I229 VanDerWaalsContact CG2-CD1 3.49Å; I226-I229 HydrophobicContact CG2-CG1 4.37Å; I229-V231 HydrophobicContact CG2-CG2 3.99Å
230N98Very high97.1Very high5 Ų528.2 Ų28.23%0.02715%0.146CC..EExtended strand (participates in β ladder)trans-88.9126.7178.7-139.965.1000110.5A22 D82 L207 H208 A210 K228A22-N230 VanDerWaalsContact CB-OD1 3.3Å; A22-N230 WeakPolarHBondContact CB-OD1 3.13Å; D82-N230 PolarHBondContact OD2-ND2 3.5Å; L207-N230 PolarHBondContact O-N 3Å; H208-N230 HydrophobicContact CB-CB 4.42Å; H208-N230 VanDerWaalsContact CE1-CG 3.5Å; H208-N230 VanDerWaalsContact ND1-CB 3.32Å; H208-N230 WeakPolarHBondContact ND1-CB 3.47Å; H208-N230 VanDerWaalsContact ND1-CG 3.31Å; H208-N230 PolarHBondContact ND1-ND2 3.05Å; A210-N230 WeakPolarHBondContact CB-O 3.43Å; A210-N230 PolarHBondContact N-O 3.37Å; K228-N230 WeakPolarHBondContact CE-OD1 3.47Å; K228-N230 PolarHBondContact NZ-OD1 3.48Å; K228-N230 VanDerWaalsContact NZ-OD1 3.11Å
231V97Very high97.1Very high2 Ų229.7 Ų29.71%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-130.4122.4-176.1-179.90000110.4A22 F23 N24 I229 E234 V274A22-V231 PolarHBondContact O-N 3.46Å; F23-V231 WeakPolarHBondContact CA-O 3.32Å; F23-V231 HydrophobicContact CD1-CB 3.83Å; F23-V231 HydrophobicContact CD1-CG1 3.98Å; F23-V231 HydrophobicContact CE1-CB 4.02Å; F23-V231 HydrophobicContact CE1-CG1 4.04Å; F23-V231 HydrophobicContact CE1-CG2 4.43Å; N24-V231 PolarHBondContact N-O 3.43Å; I229-V231 HydrophobicContact CG2-CG2 3.99Å; V231-E234 HydrophobicContact CG1-CG 3.44Å; V231-E234 VanDerWaalsContact CG1-CG 3.44Å; V231-E234 WeakPolarHBondContact CG1-OE1 3.43Å; V231-V274 HydrophobicContact CG1-CG2 4.44Å; V231-V274 HydrophobicContact CG2-CG1 3.88Å; V231-V274 HydrophobicContact CG2-CG2 4.23Å
232A94.8Very high97.1Very high5 Ų530.3 Ų30.34%0.04116%0.158CC..  trans-133.8-56.9-179.700000112.4N24 S211 L235 K236N24-A232 HydrophobicContact CB-CB 3.81Å; S211-A232 PolarHBondContact OG-N 3.45Å; A232-L235 WeakPolarHBondContact O-CB 3.31Å; A232-L235 PolarHBondContact O-N 3.5Å; A232-K236 PolarHBondContact O-N 2.79Å; A232-K236 VanDerWaalsContact O-N 3.1Å
233T94.1Very high97Very high18 Ų1831.3 Ų31.311%0.1116%0.163CC..Hα-helixtrans-65.8-46.6-167.4-51.90000113.5G181 M182 S211 L235 K236 N237G181-T233 VanDerWaalsContact CA-OG1 3.31Å; G181-T233 WeakPolarHBondContact CA-OG1 3.27Å; G181-T233 PolarHBondContact N-OG1 3.36Å; G181-T233 PolarHBondContact O-OG1 3.46Å; M182-T233 HydrophobicContact CG-CG2 3.63Å; M182-T233 HydrophobicContact SD-CG2 3.82Å; S211-T233 PolarHBondContact OG-N 3.07Å; T233-L235 PolarHBondContact O-N 3.29Å; T233-K236 PolarHBondContact O-N 2.88Å; T233-N237 WeakPolarHBondContact O-CB 3.3Å; T233-N237 PolarHBondContact O-N 2.83Å; T233-N237 PolarHBondContact O-ND2 2.95Å
234E93.2Very high97Very high34 Ų3429 Ų2916%0.15915%0.153CC..Hα-helixtrans-64.3-31.4179.759.2-176.3-157.600112.4S211 G212 V231 A238 V270 V274S211-E234 PolarHBondContact OG-N 3.23Å; G212-E234 PolarHBondContact N-OE2 3.39Å; G212-E234 VanDerWaalsContact N-OE2 3.13Å; V231-E234 HydrophobicContact CG1-CG 3.44Å; V231-E234 VanDerWaalsContact CG1-CG 3.44Å; V231-E234 WeakPolarHBondContact CG1-OE1 3.43Å; E234-A238 VanDerWaalsContact O-CB 3.32Å; E234-A238 WeakPolarHBondContact O-CB 3.1Å; E234-A238 PolarHBondContact O-N 3.2Å; E234-V270 HydrophobicContact CB-CG1 4.35Å; E234-V270 HydrophobicContact CG-CG1 3.75Å; E234-V274 WeakPolarHBondContact OE1-CG2 3.36Å
235L94.7Very high97Very high2 Ų231.3 Ų31.31%0.0117%0.166CC..Hα-helixtrans-68.1-47.6176-159.570.9000111.3F23 V34 A232 T233 N237 A238 F239 M267 V270 V271F23-L235 HydrophobicContact CB-CD2 4.1Å; F23-L235 HydrophobicContact CD1-CD1 4.4Å; F23-L235 HydrophobicContact CD1-CD2 4.25Å; V34-L235 HydrophobicContact CG2-CD2 4.2Å; A232-L235 WeakPolarHBondContact O-CB 3.31Å; A232-L235 PolarHBondContact O-N 3.5Å; T233-L235 PolarHBondContact O-N 3.29Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3.22Å; L235-A238 PolarHBondContact O-N 3.43Å; L235-F239 WeakPolarHBondContact O-CB 3.3Å; L235-F239 PolarHBondContact O-N 3.29Å; L235-F239 VanDerWaalsContact O-N 3.08Å; L235-M267 HydrophobicContact CD1-CB 4.21Å; L235-M267 HydrophobicContact CD1-CE 3.5Å; L235-M267 HydrophobicContact CD1-CG 4.15Å; L235-M267 HydrophobicContact CD2-CE 3.64Å; L235-M267 HydrophobicContact CG-CE 3.38Å; L235-M267 HydrophobicContact CG-CG 4.42Å; L235-M267 HydrophobicContact CG-SD 4.47Å; L235-V270 HydrophobicContact CD1-CB 4.49Å; L235-V270 HydrophobicContact CD1-CG1 4.24Å; L235-V271 HydrophobicContact CD1-CG2 3.72Å
236K95.1Very high97.1Very high69 Ų6932.9 Ų32.930%0.317%0.167SC..Hα-helixtrans-58.3-45.2173.8-76.7-175.9-84.5-157.90111.6H26 A232 T233 F239 S240H26-K236 VanDerWaalsContact CE1-CG 3.43Å; H26-K236 WeakPolarHBondContact CE1-CG 3.29Å; H26-K236 WeakPolarHBondContact NE2-CD 3.34Å; A232-K236 PolarHBondContact O-N 2.79Å; A232-K236 VanDerWaalsContact O-N 3.1Å; T233-K236 PolarHBondContact O-N 2.88Å; K236-F239 PolarHBondContact O-N 3.04Å; K236-S240 VanDerWaalsContact O-CB 3.31Å; K236-S240 WeakPolarHBondContact O-CB 3.4Å; K236-S240 PolarHBondContact O-N 2.8Å
237N95.5Very high97Very high76 Ų7636 Ų3641%0.40618%0.184SC..Hα-helixtrans-66.6-45.3-178-72.1-12.6000111.7M182 T233 L235 F239 S240 Q241M182-N237 WeakPolarHBondContact CG-ND2 3.46Å; T233-N237 WeakPolarHBondContact O-CB 3.3Å; T233-N237 PolarHBondContact O-N 2.83Å; T233-N237 PolarHBondContact O-ND2 2.95Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3.22Å; N237-F239 VanDerWaalsContact C-N 3.35Å; N237-F239 PolarHBondContact O-N 2.96Å; N237-S240 PolarHBondContact O-N 3.19Å; N237-Q241 WeakPolarHBondContact O-CB 3.49Å; N237-Q241 PolarHBondContact O-N 3.15Å
238A97.1Very high97Very high19 Ų1941.3 Ų41.316%0.15722%0.216CC..Hα-helixtrans-59.7-45.7176.500000111.6E234 L235 A242 A266 V270E234-A238 VanDerWaalsContact O-CB 3.32Å; E234-A238 WeakPolarHBondContact O-CB 3.1Å; E234-A238 PolarHBondContact O-N 3.2Å; L235-A238 PolarHBondContact O-N 3.43Å; A238-A242 VanDerWaalsContact O-CB 3.29Å; A238-A242 WeakPolarHBondContact O-CB 3.39Å; A238-A242 PolarHBondContact O-N 3.49Å; A238-A242 VanDerWaalsContact O-N 3.16Å; A238-A266 HydrophobicContact CB-CB 4.35Å; A238-V270 HydrophobicContact CB-CG2 3.69Å
239F98Very high96.9Very high30 Ų3047.9 Ų47.913%0.13225%0.247CC..Hα-helixtrans-61.1-53.3176.3-174.6-89.5000111.9E29 T30 L235 K236 N237 Q241 L243 L260 A263 M267E29-F239 HydrophobicContact CB-CE2 4.26Å; T30-F239 HydrophobicContact CG2-CD2 4.21Å; T30-F239 HydrophobicContact CG2-CE2 4.43Å; L235-F239 WeakPolarHBondContact O-CB 3.3Å; L235-F239 PolarHBondContact O-N 3.29Å; L235-F239 VanDerWaalsContact O-N 3.08Å; K236-F239 PolarHBondContact O-N 3.04Å; N237-F239 VanDerWaalsContact C-N 3.35Å; N237-F239 PolarHBondContact O-N 2.96Å; F239-Q241 PolarHBondContact O-N 3.38Å; F239-L243 HydrophobicContact CE1-CD1 3.96Å; F239-L243 HydrophobicContact CZ-CD1 4.38Å; F239-L243 WeakPolarHBondContact O-CB 3.43Å; F239-L243 PolarHBondContact O-N 3.09Å; F239-L260 HydrophobicContact CE1-CD2 4.48Å; F239-L260 HydrophobicContact CE2-CD2 4.08Å; F239-L260 HydrophobicContact CZ-CD2 3.5Å; F239-L260 VanDerWaalsContact CZ-CD2 3.5Å; F239-A263 HydrophobicContact CD1-CB 4.38Å; F239-A263 HydrophobicContact CD2-CB 3.42Å; F239-A263 VanDerWaalsContact CD2-CB 3.42Å; F239-A263 HydrophobicContact CE1-CB 4.45Å; F239-A263 HydrophobicContact CE2-CB 3.55Å; F239-A263 HydrophobicContact CG-CB 3.91Å; F239-A263 HydrophobicContact CZ-CB 4.09Å; F239-M267 HydrophobicContact CB-CG 3.87Å; F239-M267 HydrophobicContact CB-SD 3.74Å; F239-M267 HydrophobicContact CD2-CG 4.26Å; F239-M267 HydrophobicContact CD2-SD 3.37Å; F239-M267 WeakPolarHBondContact CD2-SD 3.36Å; F239-M267 HydrophobicContact CE2-SD 4.34Å; F239-M267 HydrophobicContact CG-SD 3.97Å
240S97.5Very high96.9Very high44 Ų4451 Ų5131%0.30826%0.261SS..Hα-helixtrans-65.2-42.2-175.1-171.90000112.2K236 N237 L243 K244K236-S240 VanDerWaalsContact O-CB 3.31Å; K236-S240 WeakPolarHBondContact O-CB 3.4Å; K236-S240 PolarHBondContact O-N 2.8Å; N237-S240 PolarHBondContact O-N 3.19Å; S240-L243 PolarHBondContact O-N 3.28Å; S240-K244 WeakPolarHBondContact O-CB 3.45Å; S240-K244 VanDerWaalsContact O-CG 3.24Å; S240-K244 WeakPolarHBondContact O-CG 3.43Å; S240-K244 PolarHBondContact O-N 3.24Å; S240-K244 WeakPolarHBondContact OG-CE 3.12Å
241Q98Very high96.9Very high99 Ų9955.9 Ų55.946%0.46329%0.293SS..Hα-helixtrans-67.6-43.9-179-171.961.148.300111.6N237 F239 L243 K244 N245N237-Q241 WeakPolarHBondContact O-CB 3.49Å; N237-Q241 PolarHBondContact O-N 3.15Å; F239-Q241 PolarHBondContact O-N 3.38Å; Q241-L243 VanDerWaalsContact C-N 3.35Å; Q241-L243 PolarHBondContact O-N 2.57Å; Q241-K244 PolarHBondContact O-N 3.41Å; Q241-N245 PolarHBondContact NE2-OD1 3.48Å; Q241-N245 WeakPolarHBondContact O-CB 3.29Å; Q241-N245 PolarHBondContact O-N 2.87Å; Q241-N245 PolarHBondContact O-OD1 3.49Å
242A98Very high96.9Very high12 Ų1262.1 Ų62.110%0.09932%0.322CS..Hα-helixtrans-64.9-39.4177.800000112.1A238 Y246 A266A238-A242 VanDerWaalsContact O-CB 3.29Å; A238-A242 WeakPolarHBondContact O-CB 3.39Å; A238-A242 PolarHBondContact O-N 3.49Å; A238-A242 VanDerWaalsContact O-N 3.16Å; A242-Y246 WeakPolarHBondContact O-CB 3.38Å; A242-Y246 PolarHBondContact O-N 3.27Å; A242-A266 HydrophobicContact CB-CB 3.55Å
243L97.7Very high97Very high38 Ų3862.9 Ų62.920%0.19933%0.329CS..Hα-helixtrans-62.7-47.4173.7-172.4155.2000111.5F239 S240 Q241 N245 Y246 L247 Y259 L260 A263F239-L243 HydrophobicContact CE1-CD1 3.96Å; F239-L243 HydrophobicContact CZ-CD1 4.38Å; F239-L243 WeakPolarHBondContact O-CB 3.43Å; F239-L243 PolarHBondContact O-N 3.09Å; S240-L243 PolarHBondContact O-N 3.28Å; Q241-L243 VanDerWaalsContact C-N 3.35Å; Q241-L243 PolarHBondContact O-N 2.57Å; L243-N245 PolarHBondContact O-N 2.63Å; L243-Y246 PolarHBondContact O-N 2.89Å; L243-L247 HydrophobicContact CD2-CD1 3.56Å; L243-L247 HydrophobicContact CD2-CG 4.27Å; L243-L247 PolarHBondContact O-N 3.45Å; L243-Y259 HydrophobicContact CD1-CD2 4.04Å; L243-Y259 HydrophobicContact CD1-CE2 4.46Å; L243-Y259 HydrophobicContact CG-CD2 4.2Å; L243-L260 HydrophobicContact CD1-CD2 4.41Å; L243-A263 HydrophobicContact CB-CB 4.24Å
244K98Very high97.1Very high114 Ų11468.2 Ų68.250%0.49636%0.361SS..Hα-helixtrans-59.9-45.1177.5-75.2170-175.3171.10112.1S240 Q241 L247 T248S240-K244 WeakPolarHBondContact O-CB 3.45Å; S240-K244 VanDerWaalsContact O-CG 3.24Å; S240-K244 WeakPolarHBondContact O-CG 3.43Å; S240-K244 PolarHBondContact O-N 3.24Å; S240-K244 WeakPolarHBondContact OG-CE 3.12Å; Q241-K244 PolarHBondContact O-N 3.41Å; K244-L247 PolarHBondContact O-N 3.2Å; K244-T248 WeakPolarHBondContact O-CB 3.32Å; K244-T248 PolarHBondContact O-N 2.86Å; K244-T248 PolarHBondContact O-OG1 3.16Å
245N98.2Very high97.3Very high71 Ų7168.5 Ų68.538%0.3836%0.364SS..Hα-helixtrans-60.5-49.2177.1-70.7-2.7000110.5Q241 L243 L247 T248 E249Q241-N245 PolarHBondContact NE2-OD1 3.48Å; Q241-N245 WeakPolarHBondContact O-CB 3.29Å; Q241-N245 PolarHBondContact O-N 2.87Å; Q241-N245 PolarHBondContact O-OD1 3.49Å; L243-N245 PolarHBondContact O-N 2.63Å; N245-L247 PolarHBondContact O-N 3.16Å; N245-T248 WeakPolarHBondContact O-CB 3.15Å; N245-T248 PolarHBondContact O-N 3.34Å; N245-T248 VanDerWaalsContact O-N 3.09Å; N245-E249 WeakPolarHBondContact O-CG 3.31Å; N245-E249 PolarHBondContact O-N 3.41Å
246Y98.3Very high97.4Very high49 Ų4971.2 Ų71.219%0.19238%0.382CS..Hα-helixtrans-57.7-47.2180-170-80.3000112.1A242 L243 T248 E249 H250 A253 D258A242-Y246 WeakPolarHBondContact O-CB 3.38Å; A242-Y246 PolarHBondContact O-N 3.27Å; L243-Y246 PolarHBondContact O-N 2.89Å; Y246-T248 VanDerWaalsContact C-N 3.28Å; Y246-T248 PolarHBondContact O-N 3.13Å; Y246-E249 PolarHBondContact O-N 3.05Å; Y246-H250 HydrophobicContact CD1-CB 4.29Å; Y246-H250 AromaticContact CD2-CD2 3.88Å; Y246-H250 HydrophobicContact CE1-CB 3.96Å; Y246-H250 AromaticContact CE1-CD2 3.84Å; Y246-H250 AromaticContact CE2-CD2 3.66Å; Y246-H250 AromaticContact CZ-CD2 3.62Å; Y246-H250 WeakPolarHBondContact O-CB 3.22Å; Y246-H250 PolarHBondContact O-CD2 3.08Å; Y246-H250 PolarHBondContact O-N 3.36Å; Y246-A253 HydrophobicContact CD1-CB 4.48Å; Y246-A253 HydrophobicContact CE1-CB 3.8Å; Y246-D258 HydrophobicContact CE1-CB 4.21Å; Y246-D258 WeakPolarHBondContact OH-CB 3.35Å
247L98Very high97.4Very high67 Ų6776.6 Ų76.635%0.35140%0.4SS..Hα-helixtrans-70.4-24.1179.4-67.9179.7000113.5L243 K244 N245 H250 P251 A253 Y259L243-L247 HydrophobicContact CD2-CD1 3.56Å; L243-L247 HydrophobicContact CD2-CG 4.27Å; L243-L247 PolarHBondContact O-N 3.45Å; K244-L247 PolarHBondContact O-N 3.2Å; N245-L247 PolarHBondContact O-N 3.16Å; L247-H250 CarbonylContact O-C 3.58Å; L247-P251 WeakPolarHBondContact O-CA 3.31Å; L247-A253 HydrophobicContact CD2-CB 4.49Å; L247-Y259 HydrophobicContact CD2-CD1 3.72Å; L247-Y259 HydrophobicContact CD2-CE1 4.23Å; L247-Y259 HydrophobicContact CD2-CG 4.1Å
248T98.1Very high97.4Very high112 Ų11276.7 Ų76.769%0.68740%0.401SS*.Hα-helixtrans-74.8-39.1173.5-57.80000111K244 N245 Y246K244-T248 WeakPolarHBondContact O-CB 3.32Å; K244-T248 PolarHBondContact O-N 2.86Å; K244-T248 PolarHBondContact O-OG1 3.16Å; N245-T248 WeakPolarHBondContact O-CB 3.15Å; N245-T248 PolarHBondContact O-N 3.34Å; N245-T248 VanDerWaalsContact O-N 3.09Å; Y246-T248 VanDerWaalsContact C-N 3.28Å; Y246-T248 PolarHBondContact O-N 3.13Å
249E97.9Very high97.4Very high139 Ų13978.3 Ų78.365%0.6540%0.403SS*.Hα-helixtrans-78.4-29.4179.2-69.3171.9-174.200112.7N245 Y246 P251N245-E249 WeakPolarHBondContact O-CG 3.31Å; N245-E249 PolarHBondContact O-N 3.41Å; Y246-E249 PolarHBondContact O-N 3.05Å; E249-P251 VanDerWaalsContact C-CD 3.49Å; E249-P251 WeakPolarHBondContact O-CD 3.45Å
250H97.8Very high97.4Very high65 Ų6578.2 Ų78.230%0.30140%0.404SS..  trans-126.167.6-179-56.5-68.4000111.2Y246 L247 E252 A253Y246-H250 HydrophobicContact CD1-CB 4.29Å; Y246-H250 AromaticContact CD2-CD2 3.88Å; Y246-H250 HydrophobicContact CE1-CB 3.96Å; Y246-H250 AromaticContact CE1-CD2 3.84Å; Y246-H250 AromaticContact CE2-CD2 3.66Å; Y246-H250 AromaticContact CZ-CD2 3.62Å; Y246-H250 WeakPolarHBondContact O-CB 3.22Å; Y246-H250 PolarHBondContact O-CD2 3.08Å; Y246-H250 PolarHBondContact O-N 3.36Å; L247-H250 CarbonylContact O-C 3.58Å; H250-E252 IonicContact ND1-OE1 3.16Å; H250-E252 PolarHBondContact O-N 3.04Å; H250-E252 VanDerWaalsContact O-N 3.15Å; H250-A253 HydrophobicContact CB-CB 3.91Å; H250-A253 WeakPolarHBondContact O-CB 3.4Å; H250-A253 PolarHBondContact O-N 3.49Å
251P97.1Very high97.4Very high108 Ų10880.7 Ų80.770%0.70141%0.41SS*.THydrogen-bonded Turntrans-63.1-19.6-177.126.6-35.9000114L247 E249L247-P251 WeakPolarHBondContact O-CA 3.31Å; E249-P251 VanDerWaalsContact C-CD 3.49Å; E249-P251 WeakPolarHBondContact O-CD 3.45Å
252E97.6Very high97.3Very high133 Ų13378 Ų7862%0.62140%0.402SS*.THydrogen-bonded Turntrans-83-8.7173.574.4-70.9169.500114H250 T254H250-E252 IonicContact ND1-OE1 3.16Å; H250-E252 PolarHBondContact O-N 3.04Å; H250-E252 VanDerWaalsContact O-N 3.15Å; E252-T254 PolarHBondContact O-N 3.5Å
253A96.8Very high97.2Very high22 Ų2277.4 Ų77.418%0.18240%0.398CS..  trans-63.8123.1-179.400000110.6Y246 L247 H250Y246-A253 HydrophobicContact CD1-CB 4.48Å; Y246-A253 HydrophobicContact CE1-CB 3.8Å; L247-A253 HydrophobicContact CD2-CB 4.49Å; H250-A253 HydrophobicContact CB-CB 3.91Å; H250-A253 WeakPolarHBondContact O-CB 3.4Å; H250-A253 PolarHBondContact O-N 3.49Å
254T96.4Very high97.3Very high129 Ų12976.4 Ų76.479%0.79139%0.392SS*.  trans-119-17.8-179.349.20000113E252 P256E252-T254 PolarHBondContact O-N 3.5Å; T254-P256 WeakPolarHBondContact O-CD 3.49Å
255D97Very high97.3Very high40 Ų4072.9 Ų72.921%0.21438%0.381CS..  trans-84118.2-179.9-166.4-30.8000110.9R257 D258 Y259D255-R257 PolarHBondContact O-N 3.12Å; D255-R257 VanDerWaalsContact OD1-CB 3.29Å; D255-R257 WeakPolarHBondContact OD1-CB 3.34Å; D255-R257 WeakPolarHBondContact OD1-CG 3.29Å; D255-R257 IonicContact OD1-CZ 3.63Å; D255-R257 PolarHBondContact OD1-N 2.93Å; D255-R257 IonicContact OD1-NE 2.71Å; D255-R257 PolarHBondContact OD1-NE 3.13Å; D255-R257 IonicContact OD1-NH2 3.41Å; D255-R257 IonicContact OD2-CZ 3.87Å; D255-R257 IonicContact OD2-NE 3Å; D255-R257 PolarHBondContact OD2-NE 3.42Å; D255-R257 IonicContact OD2-NH2 2.7Å; D255-R257 PolarHBondContact OD2-NH2 3.27Å; D255-D258 PolarHBondContact O-N 3.04Å; D255-Y259 VanDerWaalsContact O-CD1 3.31Å; D255-Y259 WeakPolarHBondContact O-CD1 3.46Å; D255-Y259 WeakPolarHBondContact O-CE1 3.37Å
256P96.6Very high97.2Very high59 Ų5970.9 Ų70.938%0.38338%0.375SS..Hα-helixtrans-57.4-30.5177.1-20.831.2000115.1T254 D258 Y259 L260T254-P256 WeakPolarHBondContact O-CD 3.49Å; P256-D258 PolarHBondContact O-N 2.79Å; P256-Y259 VanDerWaalsContact CA-CE1 3.44Å; P256-Y259 WeakPolarHBondContact CA-OH 3.49Å; P256-Y259 HydrophobicContact CB-CE1 4.3Å; P256-Y259 HydrophobicContact CB-CE2 3.93Å; P256-Y259 WeakPolarHBondContact CB-OH 3.31Å; P256-Y259 WeakPolarHBondContact CG-OH 3.4Å; P256-L260 HydrophobicContact CB-CD1 3.94Å; P256-L260 WeakPolarHBondContact O-CB 3.34Å; P256-L260 WeakPolarHBondContact O-CD1 3.1Å; P256-L260 WeakPolarHBondContact O-CG 3.03Å; P256-L260 PolarHBondContact O-N 3.48Å
257R96.6Very high97.2Very high183 Ų18368.6 Ų68.669%0.69137%0.366SS*.Hα-helixtrans-63.1-32.8-177.2-61.1173-691770.8111.6D255 Q261D255-R257 PolarHBondContact O-N 3.12Å; D255-R257 VanDerWaalsContact OD1-CB 3.29Å; D255-R257 WeakPolarHBondContact OD1-CB 3.34Å; D255-R257 WeakPolarHBondContact OD1-CG 3.29Å; D255-R257 IonicContact OD1-CZ 3.63Å; D255-R257 PolarHBondContact OD1-N 2.93Å; D255-R257 IonicContact OD1-NE 2.71Å; D255-R257 PolarHBondContact OD1-NE 3.13Å; D255-R257 IonicContact OD1-NH2 3.41Å; D255-R257 IonicContact OD2-CZ 3.87Å; D255-R257 IonicContact OD2-NE 3Å; D255-R257 PolarHBondContact OD2-NE 3.42Å; D255-R257 IonicContact OD2-NH2 2.7Å; D255-R257 PolarHBondContact OD2-NH2 3.27Å; R257-Q261 VanDerWaalsContact O-CB 3.22Å; R257-Q261 WeakPolarHBondContact O-CB 3.45Å; R257-Q261 PolarHBondContact O-N 3.49Å
258D95.7Very high97.3Very high78 Ų7869 Ų6942%0.41736%0.363SS..Hα-helixtrans-71.1-55.1-177.5-64.9-20.3000111.2Y246 D255 P256 L260 Q261 S262Y246-D258 HydrophobicContact CE1-CB 4.21Å; Y246-D258 WeakPolarHBondContact OH-CB 3.35Å; D255-D258 PolarHBondContact O-N 3.04Å; P256-D258 PolarHBondContact O-N 2.79Å; D258-L260 PolarHBondContact O-N 3.26Å; D258-Q261 PolarHBondContact O-N 3.48Å; D258-S262 PolarHBondContact O-N 3.08Å
259Y95.8Very high97.2Very high52 Ų5269.1 Ų69.120%0.20436%0.359CS..Hα-helixtrans-72.9-28.4-179.454.5-107.5000113.1L243 L247 D255 P256 A263L243-Y259 HydrophobicContact CD1-CD2 4.04Å; L243-Y259 HydrophobicContact CD1-CE2 4.46Å; L243-Y259 HydrophobicContact CG-CD2 4.2Å; L247-Y259 HydrophobicContact CD2-CD1 3.72Å; L247-Y259 HydrophobicContact CD2-CE1 4.23Å; L247-Y259 HydrophobicContact CD2-CG 4.1Å; D255-Y259 VanDerWaalsContact O-CD1 3.31Å; D255-Y259 WeakPolarHBondContact O-CD1 3.46Å; D255-Y259 WeakPolarHBondContact O-CE1 3.37Å; P256-Y259 VanDerWaalsContact CA-CE1 3.44Å; P256-Y259 WeakPolarHBondContact CA-OH 3.49Å; P256-Y259 HydrophobicContact CB-CE1 4.3Å; P256-Y259 HydrophobicContact CB-CE2 3.93Å; P256-Y259 WeakPolarHBondContact CB-OH 3.31Å; P256-Y259 WeakPolarHBondContact CG-OH 3.4Å; Y259-A263 PolarHBondContact O-N 3.3Å
260L97.8Very high97.2Very high28 Ų2863.8 Ų63.815%0.14734%0.336CS..Hα-helixtrans-70.1-33172.3-68.5171.1000111.7E29 F239 L243 P256 D258 S262 A263 K264E29-L260 HydrophobicContact CG-CB 4.15Å; E29-L260 HydrophobicContact CG-CD1 3.96Å; E29-L260 HydrophobicContact CG-CD2 4.21Å; E29-L260 HydrophobicContact CG-CG 4.33Å; F239-L260 HydrophobicContact CE1-CD2 4.48Å; F239-L260 HydrophobicContact CE2-CD2 4.08Å; F239-L260 HydrophobicContact CZ-CD2 3.5Å; F239-L260 VanDerWaalsContact CZ-CD2 3.5Å; L243-L260 HydrophobicContact CD1-CD2 4.41Å; P256-L260 HydrophobicContact CB-CD1 3.94Å; P256-L260 WeakPolarHBondContact O-CB 3.34Å; P256-L260 WeakPolarHBondContact O-CD1 3.1Å; P256-L260 WeakPolarHBondContact O-CG 3.03Å; P256-L260 PolarHBondContact O-N 3.48Å; D258-L260 PolarHBondContact O-N 3.26Å; L260-S262 VanDerWaalsContact C-N 3.34Å; L260-S262 PolarHBondContact O-N 3.28Å; L260-A263 PolarHBondContact O-N 3.1Å; L260-K264 WeakPolarHBondContact O-CB 3.46Å; L260-K264 VanDerWaalsContact O-CG 3.31Å; L260-K264 WeakPolarHBondContact O-CG 3.49Å; L260-K264 PolarHBondContact O-N 3.46Å
261Q97Very high97.2Very high96 Ų9660.7 Ų60.745%0.44932%0.322SS..Hα-helixtrans-65.3-37.4176.4-176.160.629.100112.3R257 D258 S265R257-Q261 VanDerWaalsContact O-CB 3.22Å; R257-Q261 WeakPolarHBondContact O-CB 3.45Å; R257-Q261 PolarHBondContact O-N 3.49Å; D258-Q261 PolarHBondContact O-N 3.48Å; Q261-S265 PolarHBondContact O-N 2.92Å; Q261-S265 VanDerWaalsContact O-N 3.08Å; Q261-S265 PolarHBondContact O-OG 3.17Å
262S96Very high97.3Very high42 Ų4257.3 Ų57.329%0.29430%0.301SS..Hα-helixtrans-61.3-49.5171.2-179.80000110.9D258 L260 K264 S265 A266D258-S262 PolarHBondContact O-N 3.08Å; L260-S262 VanDerWaalsContact C-N 3.34Å; L260-S262 PolarHBondContact O-N 3.28Å; S262-K264 PolarHBondContact O-N 3.32Å; S262-S265 PolarHBondContact O-N 3.17Å; S262-A266 PolarHBondContact O-N 3.07Å; S262-A266 VanDerWaalsContact O-N 3.13Å
263A97.8Very high97.3Very high0 Ų055.2 Ų55.20%029%0.29CS..Hα-helixtrans-60.4-42.1178.100000112.9F239 L243 Y259 L260 S265 A266 M267F239-A263 HydrophobicContact CD1-CB 4.38Å; F239-A263 HydrophobicContact CD2-CB 3.42Å; F239-A263 VanDerWaalsContact CD2-CB 3.42Å; F239-A263 HydrophobicContact CE1-CB 4.45Å; F239-A263 HydrophobicContact CE2-CB 3.55Å; F239-A263 HydrophobicContact CG-CB 3.91Å; F239-A263 HydrophobicContact CZ-CB 4.09Å; L243-A263 HydrophobicContact CB-CB 4.24Å; Y259-A263 PolarHBondContact O-N 3.3Å; L260-A263 PolarHBondContact O-N 3.1Å; A263-S265 VanDerWaalsContact C-N 3.26Å; A263-S265 PolarHBondContact O-N 3.34Å; A263-A266 PolarHBondContact O-N 2.93Å; A263-M267 WeakPolarHBondContact O-CG 3.38Å; A263-M267 PolarHBondContact O-N 3.04Å; A263-M267 VanDerWaalsContact O-N 3.12Å
264K98.2Very high97.4Very high17 Ų1754.2 Ų54.27%0.07428%0.281CS..Hα-helixtrans-60.3-36.9174.3-77-172.769.6178.90112E29 V33 E36 L260 S262 M267 R268E29-K264 HydrophobicContact CB-CD 4.16Å; E29-K264 HydrophobicContact CB-CG 3.99Å; E29-K264 HydrophobicContact CG-CD 4.36Å; V33-K264 HydrophobicContact CG2-CB 3.39Å; V33-K264 HydrophobicContact CG2-CD 4.09Å; V33-K264 VanDerWaalsContact CG2-CE 3.5Å; V33-K264 HydrophobicContact CG2-CG 3.47Å; V33-K264 VanDerWaalsContact CG2-CG 3.47Å; V33-K264 WeakPolarHBondContact CG2-O 3.4Å; E36-K264 IonicContact OE1-NZ 2.93Å; E36-K264 IonicContact OE2-NZ 3.9Å; E36-K264 PolarHBondContact OE2-NZ 2.82Å; L260-K264 WeakPolarHBondContact O-CB 3.46Å; L260-K264 VanDerWaalsContact O-CG 3.31Å; L260-K264 WeakPolarHBondContact O-CG 3.49Å; L260-K264 PolarHBondContact O-N 3.46Å; S262-K264 PolarHBondContact O-N 3.32Å; K264-M267 PolarHBondContact O-N 3.48Å; K264-R268 PolarHBondContact O-N 2.9Å
265S97.8Very high97.5Very high40 Ų4048 Ų4828%0.2824%0.243SC..Hα-helixtrans-71.8-42.7-178.1-60.20000112.4Q261 S262 A263 M267 R268 D269Q261-S265 PolarHBondContact O-N 2.92Å; Q261-S265 VanDerWaalsContact O-N 3.08Å; Q261-S265 PolarHBondContact O-OG 3.17Å; S262-S265 PolarHBondContact O-N 3.17Å; A263-S265 VanDerWaalsContact C-N 3.26Å; A263-S265 PolarHBondContact O-N 3.34Å; S265-M267 VanDerWaalsContact C-N 3.31Å; S265-M267 PolarHBondContact O-N 2.92Å; S265-R268 WeakPolarHBondContact O-CB 3.22Å; S265-R268 PolarHBondContact O-N 2.9Å; S265-R268 VanDerWaalsContact O-N 3.16Å; S265-R268 PolarHBondContact OG-NH1 3.48Å; S265-D269 PolarHBondContact O-N 3.2Å
266A97.8Very high97.5Very high30 Ų3048.2 Ų48.225%0.24825%0.251CS..Hα-helixtrans-62.3-38.3173.200000112.5A238 A242 S262 A263 R268A238-A266 HydrophobicContact CB-CB 4.35Å; A242-A266 HydrophobicContact CB-CB 3.55Å; S262-A266 PolarHBondContact O-N 3.07Å; S262-A266 VanDerWaalsContact O-N 3.13Å; A263-A266 PolarHBondContact O-N 2.93Å; A266-R268 VanDerWaalsContact C-N 3.34Å; A266-R268 PolarHBondContact O-N 3.39Å
267M98.1Very high97.6Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-64.3-36.8174.1-76.9-177.262.400113T30 V33 L235 F239 A263 K264 S265 D269 V270 V271T30-M267 VanDerWaalsContact CA-CE 3.48Å; T30-M267 HydrophobicContact CG2-CE 3.51Å; T30-M267 HydrophobicContact CG2-SD 3.55Å; T30-M267 VanDerWaalsContact CG2-SD 3.55Å; V33-M267 HydrophobicContact CB-CB 4.35Å; V33-M267 HydrophobicContact CB-CE 4.33Å; V33-M267 HydrophobicContact CG1-CB 3.77Å; V33-M267 HydrophobicContact CG2-CB 4.4Å; L235-M267 HydrophobicContact CD1-CB 4.21Å; L235-M267 HydrophobicContact CD1-CE 3.5Å; L235-M267 HydrophobicContact CD1-CG 4.15Å; L235-M267 HydrophobicContact CD2-CE 3.64Å; L235-M267 HydrophobicContact CG-CE 3.38Å; L235-M267 HydrophobicContact CG-CG 4.42Å; L235-M267 HydrophobicContact CG-SD 4.47Å; F239-M267 HydrophobicContact CB-CG 3.87Å; F239-M267 HydrophobicContact CB-SD 3.74Å; F239-M267 HydrophobicContact CD2-CG 4.26Å; F239-M267 HydrophobicContact CD2-SD 3.37Å; F239-M267 WeakPolarHBondContact CD2-SD 3.36Å; F239-M267 HydrophobicContact CE2-SD 4.34Å; F239-M267 HydrophobicContact CG-SD 3.97Å; A263-M267 WeakPolarHBondContact O-CG 3.38Å; A263-M267 PolarHBondContact O-N 3.04Å; A263-M267 VanDerWaalsContact O-N 3.12Å; K264-M267 PolarHBondContact O-N 3.48Å; S265-M267 VanDerWaalsContact C-N 3.31Å; S265-M267 PolarHBondContact O-N 2.92Å; M267-D269 PolarHBondContact O-N 3.05Å; M267-V270 WeakPolarHBondContact O-CB 3.29Å; M267-V270 PolarHBondContact O-N 3.5Å; M267-V270 VanDerWaalsContact O-N 3.16Å; M267-V271 WeakPolarHBondContact O-CG2 3.31Å; M267-V271 PolarHBondContact O-N 3.49Å
268R98.5Very high97.7Very high75 Ų7537.1 Ų37.128%0.28320%0.202SC..Hα-helixtrans-59-39.9-179-176.5-177-57.1103.64.6111.4V33 T37 K264 S265 A266 V271 S272V33-R268 HydrophobicContact CG1-CB 4Å; T37-R268 HydrophobicContact CG2-CG 4.25Å; K264-R268 PolarHBondContact O-N 2.9Å; S265-R268 WeakPolarHBondContact O-CB 3.22Å; S265-R268 PolarHBondContact O-N 2.9Å; S265-R268 VanDerWaalsContact O-N 3.16Å; S265-R268 PolarHBondContact OG-NH1 3.48Å; A266-R268 VanDerWaalsContact C-N 3.34Å; A266-R268 PolarHBondContact O-N 3.39Å; R268-V271 PolarHBondContact O-N 3.4Å; R268-S272 WeakPolarHBondContact O-CB 3.31Å; R268-S272 PolarHBondContact O-N 3.49Å; R268-S272 PolarHBondContact O-OG 2.89Å
269D97.4Very high97.8Very high115 Ų11535.5 Ų35.562%0.61520%0.203SC*.Hα-helixtrans-65-41.4178.5-63.3-19.6000111.1S265 M267 K273S265-D269 PolarHBondContact O-N 3.2Å; M267-D269 PolarHBondContact O-N 3.05Å; D269-K273 WeakPolarHBondContact O-CB 3.44Å; D269-K273 PolarHBondContact O-N 3.47Å
270V97.4Very high98Very high27 Ų2733 Ų3316%0.16419%0.193CC..Hα-helixtrans-62.7-50.4174.2176.40000111.1E234 L235 A238 M267 S272 K273 V274E234-V270 HydrophobicContact CB-CG1 4.35Å; E234-V270 HydrophobicContact CG-CG1 3.75Å; L235-V270 HydrophobicContact CD1-CB 4.49Å; L235-V270 HydrophobicContact CD1-CG1 4.24Å; A238-V270 HydrophobicContact CB-CG2 3.69Å; M267-V270 WeakPolarHBondContact O-CB 3.29Å; M267-V270 PolarHBondContact O-N 3.5Å; M267-V270 VanDerWaalsContact O-N 3.16Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.87Å; V270-K273 PolarHBondContact O-N 3.47Å; V270-V274 HydrophobicContact CG1-CG2 4.45Å; V270-V274 WeakPolarHBondContact O-CG2 3.36Å; V270-V274 PolarHBondContact O-N 3.25Å
271V98.4Very high98Very high0 Ų036.6 Ų36.60%021%0.209CC..Hα-helixtrans-60.4-44.1-179.6174.50000111F23 V33 V34 T37 L235 M267 R268 V274 I275F23-V271 HydrophobicContact CD1-CG2 4.39Å; F23-V271 HydrophobicContact CE1-CB 4.49Å; F23-V271 HydrophobicContact CE1-CG2 4.08Å; F23-V271 HydrophobicContact CE2-CG1 3.9Å; F23-V271 HydrophobicContact CZ-CB 4.16Å; F23-V271 HydrophobicContact CZ-CG1 3.87Å; F23-V271 HydrophobicContact CZ-CG2 4.15Å; V33-V271 HydrophobicContact CG1-CG2 4.3Å; V34-V271 HydrophobicContact CG2-CG2 3.99Å; T37-V271 HydrophobicContact CG2-CB 4.13Å; T37-V271 HydrophobicContact CG2-CG1 3.71Å; L235-V271 HydrophobicContact CD1-CG2 3.72Å; M267-V271 WeakPolarHBondContact O-CG2 3.31Å; M267-V271 PolarHBondContact O-N 3.49Å; R268-V271 PolarHBondContact O-N 3.4Å; V271-V274 PolarHBondContact O-N 3.16Å; V271-I275 HydrophobicContact CG1-CD1 3.79Å; V271-I275 WeakPolarHBondContact O-CB 3.36Å; V271-I275 WeakPolarHBondContact O-CG1 3.39Å; V271-I275 PolarHBondContact O-N 3.18Å
272S98.4Very high98Very high37 Ų3734.6 Ų34.626%0.25922%0.215SC..Hα-helixtrans-62.9-45.6178.4-55.10000111.4T37 R268 V270 V274 I275 A276T37-S272 WeakPolarHBondContact CG2-OG 3.22Å; R268-S272 WeakPolarHBondContact O-CB 3.31Å; R268-S272 PolarHBondContact O-N 3.49Å; R268-S272 PolarHBondContact O-OG 2.89Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.87Å; S272-V274 PolarHBondContact O-N 3.41Å; S272-I275 PolarHBondContact O-N 2.91Å; S272-A276 PolarHBondContact O-N 2.62Å
273K97.8Very high98Very high89 Ų8938.7 Ų38.739%0.38722%0.224SC..Hα-helixtrans-58.8-47.9176.1178.6-171.8169.8-66.40111.4D269 V270 I275 A276 D277D269-K273 WeakPolarHBondContact O-CB 3.44Å; D269-K273 PolarHBondContact O-N 3.47Å; V270-K273 PolarHBondContact O-N 3.47Å; K273-I275 VanDerWaalsContact C-N 3.35Å; K273-I275 PolarHBondContact O-N 2.92Å; K273-A276 WeakPolarHBondContact O-CB 3.48Å; K273-A276 PolarHBondContact O-N 2.97Å; K273-D277 IonicContact NZ-OD2 3.98Å; K273-D277 PolarHBondContact NZ-OD2 3.33Å; K273-D277 PolarHBondContact O-N 2.78Å
274V98.2Very high97.4Very high1 Ų142.8 Ų42.81%0.00626%0.258CS..Hα-helixtrans-64.4-40.1-179168.70000111.4P21 F23 V231 E234 V270 V271 S272 A276 D277 C278P21-V274 HydrophobicContact CB-CG1 3.67Å; F23-V274 HydrophobicContact CE1-CB 3.92Å; F23-V274 HydrophobicContact CE1-CG1 3.79Å; F23-V274 HydrophobicContact CE1-CG2 4.15Å; F23-V274 HydrophobicContact CZ-CB 3.73Å; F23-V274 HydrophobicContact CZ-CG1 3.52Å; F23-V274 HydrophobicContact CZ-CG2 4.46Å; V231-V274 HydrophobicContact CG1-CG2 4.44Å; V231-V274 HydrophobicContact CG2-CG1 3.88Å; V231-V274 HydrophobicContact CG2-CG2 4.23Å; E234-V274 WeakPolarHBondContact OE1-CG2 3.36Å; V270-V274 HydrophobicContact CG1-CG2 4.45Å; V270-V274 WeakPolarHBondContact O-CG2 3.36Å; V270-V274 PolarHBondContact O-N 3.25Å; V271-V274 PolarHBondContact O-N 3.16Å; S272-V274 PolarHBondContact O-N 3.41Å; V274-A276 VanDerWaalsContact C-N 3.33Å; V274-A276 PolarHBondContact O-N 3.33Å; V274-D277 PolarHBondContact O-N 3.34Å; V274-C278 VanDerWaalsContact O-CB 3.3Å; V274-C278 WeakPolarHBondContact O-CB 3.39Å; V274-C278 PolarHBondContact O-N 2.95Å; V274-C278 PolarHBondContact O-SG 3.21Å
275I98.6Very high97.4Very high0 Ų044.1 Ų44.10%027%0.267CS..Hα-helixtrans-59.9-44.5174.3-76.4168.1000110.8P21 T37 A38 L41 A43 V271 S272 K273 C278 G279 C280 E281P21-I275 HydrophobicContact CG-CG1 3.96Å; T37-I275 HydrophobicContact CG2-CD1 4.44Å; A38-I275 HydrophobicContact CB-CD1 4.13Å; L41-I275 HydrophobicContact CB-CG2 4.38Å; L41-I275 HydrophobicContact CD1-CB 4.19Å; L41-I275 HydrophobicContact CD1-CD1 3.94Å; L41-I275 HydrophobicContact CD1-CG2 3.79Å; A43-I275 HydrophobicContact CB-CD1 4.15Å; A43-I275 HydrophobicContact CB-CG1 4.28Å; A43-I275 HydrophobicContact CB-CG2 3.54Å; V271-I275 HydrophobicContact CG1-CD1 3.79Å; V271-I275 WeakPolarHBondContact O-CB 3.36Å; V271-I275 WeakPolarHBondContact O-CG1 3.39Å; V271-I275 PolarHBondContact O-N 3.18Å; S272-I275 PolarHBondContact O-N 2.91Å; K273-I275 VanDerWaalsContact C-N 3.35Å; K273-I275 PolarHBondContact O-N 2.92Å; I275-C278 PolarHBondContact O-N 3.02Å; I275-G279 PolarHBondContact O-N 2.82Å; I275-C280 PolarHBondContact O-N 3.4Å; I275-E281 HydrophobicContact CG2-CG 3.56Å
276A98.5Very high97.4Very high44 Ų4444.3 Ų44.336%0.36427%0.266SS..Hα-helixtrans-64.2-44.1176.100000112S272 K273 V274 C278 G279S272-A276 PolarHBondContact O-N 2.62Å; K273-A276 WeakPolarHBondContact O-CB 3.48Å; K273-A276 PolarHBondContact O-N 2.97Å; V274-A276 VanDerWaalsContact C-N 3.33Å; V274-A276 PolarHBondContact O-N 3.33Å; A276-C278 VanDerWaalsContact C-N 3.25Å; A276-C278 PolarHBondContact O-N 3.25Å; A276-G279 PolarHBondContact O-N 3.31Å
277D98.4Very high97.3Very high8 Ų845.1 Ų45.14%0.04327%0.267CS..Hα-helixtrans-61.1-36.3176.4-68.8-21.6000111.7T215 I218 Q219 K273 V274 G279T215-D277 VanDerWaalsContact CB-OD1 3.23Å; T215-D277 WeakPolarHBondContact CB-OD1 3.45Å; T215-D277 WeakPolarHBondContact CG2-OD1 3.42Å; T215-D277 PolarHBondContact OG1-OD1 2.91Å; T215-D277 PolarHBondContact OG1-OD2 3.49Å; I218-D277 HydrophobicContact CB-CB 4.41Å; I218-D277 HydrophobicContact CD1-CB 4.07Å; I218-D277 HydrophobicContact CG2-CB 4.01Å; Q219-D277 WeakPolarHBondContact CG-O 3.37Å; K273-D277 IonicContact NZ-OD2 3.98Å; K273-D277 PolarHBondContact NZ-OD2 3.33Å; K273-D277 PolarHBondContact O-N 2.78Å; V274-D277 PolarHBondContact O-N 3.34Å; D277-G279 VanDerWaalsContact C-N 3.27Å; D277-G279 PolarHBondContact O-N 2.93Å
278C98.6Very high97.3Very high1 Ų147.7 Ų47.71%0.00728%0.283CS..Hα-helixtrans-72.8-15176.7-72.90000114Y18 A19 V274 I275 A276 C280Y18-C278 WeakPolarHBondContact CB-O 3.45Å; A19-C278 HydrophobicContact CB-CB 4.43Å; A19-C278 PolarHBondContact N-O 3.48Å; A19-C278 WeakPolarHBondContact O-CB 3.44Å; V274-C278 VanDerWaalsContact O-CB 3.3Å; V274-C278 WeakPolarHBondContact O-CB 3.39Å; V274-C278 PolarHBondContact O-N 2.95Å; V274-C278 PolarHBondContact O-SG 3.21Å; I275-C278 PolarHBondContact O-N 3.02Å; A276-C278 VanDerWaalsContact C-N 3.25Å; A276-C278 PolarHBondContact O-N 3.25Å; C278-C280 VanDerWaalsContact C-N 3.27Å; C278-C280 HydrophobicContact CB-CB 4.4Å; C278-C280 PolarHBondContact O-N 3.09Å
279G98.3Very high97.2Very high43 Ų4346 Ų4644%0.44328%0.283SS..THydrogen-bonded Turntrans65.527.7-178.600000113.9Y18 I275 A276 D277Y18-G279 WeakPolarHBondContact CB-O 3.43Å; I275-G279 PolarHBondContact O-N 2.82Å; A276-G279 PolarHBondContact O-N 3.31Å; D277-G279 VanDerWaalsContact C-N 3.27Å; D277-G279 PolarHBondContact O-N 2.93Å
280C98.2Very high97.2Very high0 Ų041.4 Ų41.40%026%0.261CS..  trans-108.45.8-170.370.60000115.2Y18 A19 A43 P44 I275 C278 G282 R283Y18-C280 HydrophobicContact CD2-CB 3.57Å; Y18-C280 HydrophobicContact CE2-CB 4.13Å; Y18-C280 HydrophobicContact CG-CB 4.3Å; A19-C280 VanDerWaalsContact O-CB 3.24Å; A19-C280 WeakPolarHBondContact O-CB 3.24Å; A43-C280 WeakPolarHBondContact CA-O 3.16Å; P44-C280 VanDerWaalsContact CD-O 3.22Å; P44-C280 WeakPolarHBondContact CD-O 3.38Å; P44-C280 HydrophobicContact CG-CB 4.07Å; I275-C280 PolarHBondContact O-N 3.4Å; C278-C280 VanDerWaalsContact C-N 3.27Å; C278-C280 HydrophobicContact CB-CB 4.4Å; C278-C280 PolarHBondContact O-N 3.09Å; C280-G282 PolarHBondContact O-N 2.77Å; C280-R283 VanDerWaalsContact O-CB 3.25Å; C280-R283 WeakPolarHBondContact O-CB 3.43Å; C280-R283 WeakPolarHBondContact O-CG 3.49Å; C280-R283 PolarHBondContact O-N 3.49Å; C280-R283 VanDerWaalsContact O-N 3.17Å
281E97.8Very high97.2Very high103 Ų10342.4 Ų42.448%0.48127%0.268SS..THydrogen-bonded Turntrans-55.2135.3171.1-64.7-178.8-172.100111.5I275 R283I275-E281 HydrophobicContact CG2-CG 3.56Å; E281-R283 PolarHBondContact O-N 2.95Å
282G97.2Very high97.1Very high55 Ų5545.7 Ų45.757%0.56729%0.288SS*.THydrogen-bonded Turntrans66.516.5-178.600000115.4L41 H42 C280L41-G282 PolarHBondContact O-N 3.32Å; H42-G282 CarbonylContact O-C 3.54Å; H42-G282 VanDerWaalsContact O-C 3.31Å; H42-G282 VanDerWaalsContact O-CA 3.23Å; H42-G282 WeakPolarHBondContact O-CA 3.48Å; H42-G282 PolarHBondContact O-N 3.37Å; H42-G282 VanDerWaalsContact O-N 3.13Å; C280-G282 PolarHBondContact O-N 2.77Å
283R96.1Very high97Very high127 Ų12746.4 Ų46.448%0.47929%0.291SS..  trans-105.54.6-178.5-55.3-61.5-165.3160.66114.9Y18 H42 P44 C280 E281Y18-R283 HydrophobicContact CD1-CG 4.06Å; Y18-R283 HydrophobicContact CD2-CG 4.49Å; Y18-R283 HydrophobicContact CE1-CB 4.04Å; Y18-R283 HydrophobicContact CE1-CG 3.96Å; Y18-R283 HydrophobicContact CE2-CB 4.01Å; Y18-R283 HydrophobicContact CE2-CG 4.4Å; Y18-R283 HydrophobicContact CG-CG 4.33Å; H42-R283 PolarHBondContact O-N 3.01Å; P44-R283 HydrophobicContact CG-CB 4.29Å; C280-R283 VanDerWaalsContact O-CB 3.25Å; C280-R283 WeakPolarHBondContact O-CB 3.43Å; C280-R283 WeakPolarHBondContact O-CG 3.49Å; C280-R283 PolarHBondContact O-N 3.49Å; C280-R283 VanDerWaalsContact O-N 3.17Å; E281-R283 PolarHBondContact O-N 2.95Å
284A86.2Confident96.9Very high86 Ų8642.5 Ų42.571%0.71128%0.282SS*.  trans-76.40178.100000113.6H42 H75H42-A284 VanDerWaalsContact O-CB 3.24Å; H42-A284 WeakPolarHBondContact O-CB 3.41Å; H42-A284 PolarHBondContact O-N 3.15Å; H75-A284 WeakPolarHBondContact CE1-CB 3.45Å

Retrieved 284 of 284 residues in 691.4 ms (Link to these results)

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