A0A077ZF59_TRITR Loading...

Epimerase family protein SDR39U1

AlphaFold DB , UniProt , Accession A0A077ZF59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M93.9Very high95.7Very high140 Ų14029.5 Ų29.569%0.6918%0.175SC*.  0129.70-68.7-169.6-67.100108.1L25 K26 D53 V55M1-L25 HydrophobicContact CB-CD2 3.54Å; M1-L25 HydrophobicContact CE-CD2 4.23Å; M1-K26 PolarHBondContact O-N 2.87Å; M1-K26 VanDerWaalsContact O-N 3.11Å; M1-D53 CarbonylContact C-O 3.52Å; M1-D53 WeakPolarHBondContact CA-O 3.15Å; M1-D53 WeakPolarHBondContact CA-OD2 3.07Å; M1-D53 PolarHBondContact N-OD2 3.46Å; M1-V55 HydrophobicContact CB-CG1 4.04Å; M1-V55 HydrophobicContact CB-CG2 4.25Å; M1-V55 HydrophobicContact CG-CG1 3.84Å; M1-V55 HydrophobicContact SD-CG1 3.65Å
2S96.5Very high95.7Very high0 Ų029.3 Ų29.30%017%0.173CC..EExtended strand (participates in β ladder)trans-123.3161-174.959.60000111.9K26 D53 C54 V55S2-K26 CarbonylContact C-O 3.49Å; S2-K26 WeakPolarHBondContact CA-O 3.39Å; S2-K26 VanDerWaalsContact CB-O 3.26Å; S2-K26 WeakPolarHBondContact CB-O 3.26Å; S2-D53 WeakPolarHBondContact CB-OD1 3.25Å; S2-D53 PolarHBondContact N-O 3.27Å; S2-D53 PolarHBondContact N-OD2 3.26Å; S2-D53 PolarHBondContact OG-OD1 2.91Å; S2-C54 CarbonylContact O-C 3.56Å; S2-C54 WeakPolarHBondContact O-CA 3.39Å; S2-C54 WeakPolarHBondContact OG-CA 3.2Å; S2-C54 PolarHBondContact OG-N 2.76Å; S2-V55 WeakPolarHBondContact O-CG2 3.32Å; S2-V55 PolarHBondContact O-N 3.15Å
3V98Very high95.8Very high0 Ų027.2 Ų27.20%016%0.16CC..EExtended strand (participates in β ladder)trans-129.1120.7174.1-179.80000108V5 I20 L25 K26 P27 I28 V55 G56 V58 L218V3-V5 HydrophobicContact CG1-CG2 4.2Å; V3-I20 HydrophobicContact CB-CD1 4.1Å; V3-I20 HydrophobicContact CB-CG2 4.07Å; V3-I20 HydrophobicContact CG1-CD1 3.76Å; V3-I20 HydrophobicContact CG2-CG2 4.08Å; V3-L25 HydrophobicContact CG2-CB 4.12Å; V3-L25 HydrophobicContact CG2-CD1 3.58Å; V3-L25 HydrophobicContact CG2-CG 4.45Å; V3-K26 PolarHBondContact N-O 2.83Å; V3-P27 CarbonylContact O-C 3.6Å; V3-P27 WeakPolarHBondContact O-CA 3.42Å; V3-I28 PolarHBondContact O-N 3.36Å; V3-V55 HydrophobicContact CG2-CG2 4.41Å; V3-G56 CarbonylContact C-O 3.47Å; V3-G56 VanDerWaalsContact CA-O 3.27Å; V3-G56 WeakPolarHBondContact CA-O 3.28Å; V3-V58 HydrophobicContact CG1-CG2 4.26Å; V3-L218 HydrophobicContact CG1-CD1 4.23Å; V3-L218 HydrophobicContact CG1-CD2 4.13Å; V3-L218 HydrophobicContact CG2-CD1 4.31Å; V3-L218 HydrophobicContact CG2-CD2 3.95Å
4L98.1Very high95.8Very high0 Ų028.8 Ų28.80%017%0.174CC..EExtended strand (participates in β ladder)trans-79.7128.4175.5-163.392.3000109.4I28 V30 I45 L50 G56 V57 V58 L99L4-I28 CarbonylContact C-O 3.55Å; L4-I28 WeakPolarHBondContact CA-O 3.47Å; L4-I28 HydrophobicContact CD1-CB 4.22Å; L4-I28 HydrophobicContact CD1-CG2 3.87Å; L4-V30 HydrophobicContact CD1-CG2 3.71Å; L4-V30 HydrophobicContact CD2-CG2 3.59Å; L4-V30 HydrophobicContact CG-CG2 3.52Å; L4-I45 HydrophobicContact CD1-CD1 3.68Å; L4-I45 HydrophobicContact CD1-CG1 4.34Å; L4-L50 HydrophobicContact CD2-CD2 3.94Å; L4-G56 PolarHBondContact N-O 3.37Å; L4-V57 HydrophobicContact CB-CB 4.5Å; L4-V57 HydrophobicContact CB-CG1 4.42Å; L4-V57 HydrophobicContact CB-CG2 4.07Å; L4-V57 HydrophobicContact CD2-CG1 4.04Å; L4-V57 HydrophobicContact CD2-CG2 4.44Å; L4-V57 CarbonylContact O-C 3.45Å; L4-V57 WeakPolarHBondContact O-CA 3.26Å; L4-V58 PolarHBondContact O-N 2.9Å; L4-L99 HydrophobicContact CD2-CD2 3.53Å
5V98.3Very high95.9Very high0 Ų028.8 Ų28.80%017%0.174CC..EExtended strand (participates in β ladder)trans-123.399.4179.6-170.20000110.4V3 G7 G8 L16 V17 I20 I28 V30 V58 L60V3-V5 HydrophobicContact CG1-CG2 4.2Å; V5-G7 PolarHBondContact O-N 3.19Å; V5-G8 PolarHBondContact O-N 3.42Å; V5-L16 HydrophobicContact CG1-CD2 4.23Å; V5-V17 HydrophobicContact CB-CG2 4.32Å; V5-V17 HydrophobicContact CG1-CG2 4.35Å; V5-V17 HydrophobicContact CG2-CG2 4.26Å; V5-I20 HydrophobicContact CG2-CD1 3.56Å; V5-I28 PolarHBondContact N-O 2.84Å; V5-V30 PolarHBondContact O-N 3.49Å; V5-V58 CarbonylContact C-O 3.55Å; V5-V58 WeakPolarHBondContact CA-O 3.13Å; V5-L60 HydrophobicContact CG1-CD1 4.33Å
6G97.7Very high96Very high0 Ų027 Ų270%016%0.163CC..EExtended strand (participates in β ladder)trans-67122.3170.400000110.8G8 V58 L60 A61G6-G8 VanDerWaalsContact C-N 3.33Å; G6-V58 PolarHBondContact N-O 3.24Å; G6-L60 CarbonylContact O-C 3.35Å; G6-L60 WeakPolarHBondContact O-CA 3.43Å; G6-L60 WeakPolarHBondContact O-CB 3.32Å; G6-L60 PolarHBondContact O-N 3.35Å; G6-A61 PolarHBondContact O-N 3.16Å
7G94.4Very high96.1Very high15 Ų1526.1 Ų26.116%0.15516%0.157CC..THydrogen-bonded Turntrans74.221.9-17500000114.1V5 T9 G10 V30V5-G7 PolarHBondContact O-N 3.19Å; G7-T9 PolarHBondContact O-N 3.25Å; G7-G10 PolarHBondContact O-N 3.39Å; G7-V30 PolarHBondContact N-O 3.07Å
8G95.1Very high96.1Very high2 Ų232.7 Ų32.72%0.02118%0.184CC..THydrogen-bonded Turntrans-59.6-13.9178.900000115.5V5 G6 G10 G13 S14V5-G8 PolarHBondContact O-N 3.42Å; G6-G8 VanDerWaalsContact C-N 3.33Å; G8-G10 VanDerWaalsContact C-N 3.31Å; G8-G13 CarbonylContact O-C 3.56Å; G8-S14 WeakPolarHBondContact O-CA 3.42Å; G8-S14 PolarHBondContact O-N 3.33Å; G8-S14 VanDerWaalsContact O-N 3.09Å
9T93.5Very high96.2Very high77 Ų7734.9 Ų34.947%0.47219%0.193SC..THydrogen-bonded Turntrans-83.5-4.817363.40000113.8G7 I29 T31G7-T9 PolarHBondContact O-N 3.25Å; T9-I29 HydrophobicContact CG2-CG2 3.8Å; T9-T31 HydrophobicContact CG2-CG2 4.47Å
10G93Very high96.3Very high33 Ų3333.2 Ų33.234%0.3418%0.183SC..SBendtrans-80.8-176-175.200000114.3G7 G8 G13 S14G7-G10 PolarHBondContact O-N 3.39Å; G8-G10 VanDerWaalsContact C-N 3.31Å; G10-G13 PolarHBondContact O-N 3.39Å; G10-S14 VanDerWaalsContact O-CB 3.25Å; G10-S14 WeakPolarHBondContact O-CB 3.21Å; G10-S14 PolarHBondContact O-N 3.25Å; G10-S14 PolarHBondContact O-OG 2.89Å
11F93.8Very high96.3Very high57 Ų5737.1 Ų37.125%0.2520%0.198CC..Hα-helixtrans-57.1-58.1-178.9175.8-132.2000112.5S14 V172 G177 L207F11-S14 PolarHBondContact O-OG 3.11Å; F11-V172 HydrophobicContact CD1-CG1 4.49Å; F11-V172 HydrophobicContact CE1-CB 4.23Å; F11-V172 HydrophobicContact CE1-CG1 3.8Å; F11-G177 VanDerWaalsContact CE2-CA 3.42Å; F11-L207 HydrophobicContact CD1-CD1 4.49Å; F11-L207 HydrophobicContact CD2-CD2 4.36Å; F11-L207 HydrophobicContact CE1-CD1 4.15Å; F11-L207 HydrophobicContact CE2-CD1 4.3Å; F11-L207 HydrophobicContact CE2-CD2 3.61Å; F11-L207 HydrophobicContact CZ-CB 4.47Å; F11-L207 HydrophobicContact CZ-CD1 4.05Å; F11-L207 HydrophobicContact CZ-CD2 3.8Å; F11-L207 HydrophobicContact CZ-CG 4.34Å
12I96.8Very high96.5Very high28 Ų2835.1 Ų35.114%0.14419%0.194CC..Hα-helixtrans-70.3-45176.1-57.4169.9000110.2S14 V15 L16 L60 V172 L207 I210 V211 Y214I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 3.32Å; I12-V15 PolarHBondContact O-N 3.27Å; I12-L16 PolarHBondContact O-N 3.37Å; I12-L60 HydrophobicContact CB-CD1 4.25Å; I12-L60 HydrophobicContact CG2-CD1 3.98Å; I12-L60 HydrophobicContact CG2-CD2 4.5Å; I12-V172 HydrophobicContact CD1-CG2 3.83Å; I12-V172 HydrophobicContact CG1-CG1 4.32Å; I12-V172 HydrophobicContact CG1-CG2 4.44Å; I12-L207 HydrophobicContact CG1-CD1 4.27Å; I12-I210 HydrophobicContact CG2-CG2 4.42Å; I12-V211 HydrophobicContact CG2-CG2 3.97Å; I12-Y214 HydrophobicContact CG2-CD2 4.27Å; I12-Y214 HydrophobicContact CG2-CE2 4.01Å
13G96.5Very high96.5Very high1 Ų138.4 Ų38.41%0.0121%0.211CC..Hα-helixtrans-59.8-39.3-173.400000114.1G8 G10 V15 L16 V17G8-G13 CarbonylContact O-C 3.56Å; G10-G13 PolarHBondContact O-N 3.39Å; G13-V15 VanDerWaalsContact C-N 3.29Å; G13-V15 PolarHBondContact O-N 2.77Å; G13-L16 PolarHBondContact O-N 3.08Å; G13-V17 WeakPolarHBondContact O-CB 3.3Å; G13-V17 VanDerWaalsContact O-CG2 3.26Å; G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 2.97Å
14S95.4Very high96.4Very high50 Ų5047.7 Ų47.735%0.3525%0.251SS..Hα-helixtrans-65.7-33.3-179.463.90000112.8G8 G10 F11 I12 K18G8-S14 WeakPolarHBondContact O-CA 3.42Å; G8-S14 PolarHBondContact O-N 3.33Å; G8-S14 VanDerWaalsContact O-N 3.09Å; G10-S14 VanDerWaalsContact O-CB 3.25Å; G10-S14 WeakPolarHBondContact O-CB 3.21Å; G10-S14 PolarHBondContact O-N 3.25Å; G10-S14 PolarHBondContact O-OG 2.89Å; F11-S14 PolarHBondContact O-OG 3.11Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 3.32Å; S14-K18 WeakPolarHBondContact O-CG 3.5Å; S14-K18 PolarHBondContact O-N 3.33Å
15V97.1Very high96.3Very high29 Ų2948.9 Ų48.918%0.17626%0.257CS..Hα-helixtrans-77.2-41.5175.2-178.20000110.3I12 G13 V17 K18 Q19 L207 V211I12-V15 PolarHBondContact O-N 3.27Å; G13-V15 VanDerWaalsContact C-N 3.29Å; G13-V15 PolarHBondContact O-N 2.77Å; V15-V17 PolarHBondContact O-N 2.65Å; V15-K18 WeakPolarHBondContact O-CB 3.25Å; V15-K18 PolarHBondContact O-N 2.88Å; V15-K18 VanDerWaalsContact O-N 3.16Å; V15-Q19 PolarHBondContact O-N 3Å; V15-L207 HydrophobicContact CG2-CD2 3.89Å; V15-L207 HydrophobicContact CG2-CG 4.32Å; V15-V211 HydrophobicContact CB-CG2 3.97Å; V15-V211 HydrophobicContact CG1-CB 4.36Å; V15-V211 HydrophobicContact CG1-CG1 4.24Å; V15-V211 HydrophobicContact CG1-CG2 3.91Å
16L98.1Very high96.2Very high0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-58.3-46.3174.6178.163.1000112.2V5 I12 G13 K18 Q19 I20 V58 L60 V211 Y214 M215V5-L16 HydrophobicContact CG1-CD2 4.23Å; I12-L16 PolarHBondContact O-N 3.37Å; G13-L16 PolarHBondContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 3.14Å; L16-Q19 CarbonylContact O-C 3.52Å; L16-Q19 PolarHBondContact O-N 3.46Å; L16-I20 HydrophobicContact CD1-CD1 4.24Å; L16-I20 HydrophobicContact CD1-CG1 4.28Å; L16-I20 HydrophobicContact CD2-CD1 4.46Å; L16-I20 HydrophobicContact CG-CD1 3.88Å; L16-I20 HydrophobicContact CG-CG1 4.37Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 2.99Å; L16-V58 HydrophobicContact CD2-CB 4.1Å; L16-V58 HydrophobicContact CD2-CG1 3.73Å; L16-V58 HydrophobicContact CD2-CG2 4.24Å; L16-L60 HydrophobicContact CD2-CD1 3.89Å; L16-V211 HydrophobicContact CB-CG1 4.19Å; L16-V211 HydrophobicContact CB-CG2 4.46Å; L16-V211 HydrophobicContact CD1-CG1 4.11Å; L16-Y214 HydrophobicContact CD2-CG 4.47Å; L16-M215 HydrophobicContact CD1-CG 3.89Å; L16-M215 HydrophobicContact CD1-SD 3.54Å; L16-M215 VanDerWaalsContact CD1-SD 3.54Å
17V97.5Very high96.2Very high11 Ų1155.2 Ų55.27%0.06729%0.285CS..Hα-helixtrans-57.3-39.1176.9163.70000111.5V5 G13 V15 K21 P27 I29V5-V17 HydrophobicContact CB-CG2 4.32Å; V5-V17 HydrophobicContact CG1-CG2 4.35Å; V5-V17 HydrophobicContact CG2-CG2 4.26Å; G13-V17 WeakPolarHBondContact O-CB 3.3Å; G13-V17 VanDerWaalsContact O-CG2 3.26Å; G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 2.97Å; V15-V17 PolarHBondContact O-N 2.65Å; V17-K21 WeakPolarHBondContact O-CG 3.47Å; V17-K21 PolarHBondContact O-N 3.06Å; V17-P27 HydrophobicContact CB-CB 4.46Å; V17-P27 HydrophobicContact CG1-CB 3.97Å; V17-P27 HydrophobicContact CG1-CG 3.79Å; V17-P27 HydrophobicContact CG2-CB 4.28Å; V17-I29 HydrophobicContact CG1-CD1 4.11Å; V17-I29 HydrophobicContact CG2-CD1 4Å; V17-I29 HydrophobicContact CG2-CG1 3.91Å
18K97.1Very high96.4Very high145 Ų14555.4 Ų55.463%0.6328%0.283SS*.Hα-helixtrans-65-43.6175.1-70.1173.4-178.3-177.90111.3S14 V15 L16 K21 T22S14-K18 WeakPolarHBondContact O-CG 3.5Å; S14-K18 PolarHBondContact O-N 3.33Å; V15-K18 WeakPolarHBondContact O-CB 3.25Å; V15-K18 PolarHBondContact O-N 2.88Å; V15-K18 VanDerWaalsContact O-N 3.16Å; L16-K18 PolarHBondContact O-N 3.14Å; K18-K21 PolarHBondContact O-N 2.85Å; K18-T22 PolarHBondContact O-N 3.12Å
19Q97.7Very high96.5Very high76 Ų7655.8 Ų55.836%0.35528%0.284SS..Hα-helixtrans-67.6-32.9177.8-65.6-62.9-45.900113.1V15 L16 K21 T22 V211 M215V15-Q19 PolarHBondContact O-N 3Å; L16-Q19 CarbonylContact O-C 3.52Å; L16-Q19 PolarHBondContact O-N 3.46Å; Q19-K21 VanDerWaalsContact C-N 3.28Å; Q19-K21 PolarHBondContact O-N 3.29Å; Q19-T22 PolarHBondContact O-N 2.85Å; Q19-T22 PolarHBondContact O-OG1 3.32Å; Q19-V211 HydrophobicContact CB-CG1 4.19Å; Q19-V211 HydrophobicContact CG-CG1 3.7Å; Q19-M215 HydrophobicContact CB-CE 4.14Å; Q19-M215 HydrophobicContact CB-CG 3.87Å; Q19-M215 HydrophobicContact CB-SD 3.79Å; Q19-M215 WeakPolarHBondContact O-CE 3.42Å
20I98Very high96.7Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-61.9-39.5173.8-70.8166.1000110.6V3 V5 L16 T22 I23 L25 P27 M215 L218V3-I20 HydrophobicContact CB-CD1 4.1Å; V3-I20 HydrophobicContact CB-CG2 4.07Å; V3-I20 HydrophobicContact CG1-CD1 3.76Å; V3-I20 HydrophobicContact CG2-CG2 4.08Å; V5-I20 HydrophobicContact CG2-CD1 3.56Å; L16-I20 HydrophobicContact CD1-CD1 4.24Å; L16-I20 HydrophobicContact CD1-CG1 4.28Å; L16-I20 HydrophobicContact CD2-CD1 4.46Å; L16-I20 HydrophobicContact CG-CD1 3.88Å; L16-I20 HydrophobicContact CG-CG1 4.37Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 2.99Å; I20-T22 VanDerWaalsContact C-N 3.32Å; I20-T22 PolarHBondContact O-N 3.21Å; I20-I23 WeakPolarHBondContact O-CG1 3.29Å; I20-I23 PolarHBondContact O-N 3.45Å; I20-L25 HydrophobicContact CG2-CB 3.72Å; I20-L25 PolarHBondContact O-N 3.07Å; I20-P27 HydrophobicContact CB-CB 4.47Å; I20-P27 HydrophobicContact CG2-CB 4.06Å; I20-P27 HydrophobicContact CG2-CG 4.44Å; I20-M215 HydrophobicContact CG1-SD 3.86Å; I20-L218 HydrophobicContact CG1-CD2 4.25Å
21K97Very high96.7Very high116 Ų11651.2 Ų51.250%0.50425%0.25SC..Hα-helixtrans-65.6-32.8178.3-67.6178.5-176.3-1730112.5V17 K18 Q19 I23 K24 P27V17-K21 WeakPolarHBondContact O-CG 3.47Å; V17-K21 PolarHBondContact O-N 3.06Å; K18-K21 PolarHBondContact O-N 2.85Å; Q19-K21 VanDerWaalsContact C-N 3.28Å; Q19-K21 PolarHBondContact O-N 3.29Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 2.85Å; K21-K24 PolarHBondContact O-N 3.21Å; K21-P27 HydrophobicContact CD-CG 4.23Å; K21-P27 HydrophobicContact CG-CG 3.77Å
22T97Very high96.5Very high97 Ų9756.7 Ų56.760%0.59527%0.268SS*.Hα-helixtrans-68.9-25.3-179.159.80000112.8K18 Q19 I20 K24K18-T22 PolarHBondContact O-N 3.12Å; Q19-T22 PolarHBondContact O-N 2.85Å; Q19-T22 PolarHBondContact O-OG1 3.32Å; I20-T22 VanDerWaalsContact C-N 3.32Å; I20-T22 PolarHBondContact O-N 3.21Å; T22-K24 VanDerWaalsContact C-N 3.29Å
23I95.9Very high96.2Very high69 Ų6962.7 Ų62.735%0.35429%0.294SS..THydrogen-bonded Turntrans-91.918.3172.564.6165.5000113.1I20 K21 L25 M215 T219I20-I23 WeakPolarHBondContact O-CG1 3.29Å; I20-I23 PolarHBondContact O-N 3.45Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 2.85Å; I23-L25 HydrophobicContact CD1-CD1 3.58Å; I23-L25 HydrophobicContact CD1-CG 4.04Å; I23-L25 HydrophobicContact CG1-CB 4.38Å; I23-L25 HydrophobicContact CG1-CD1 4.17Å; I23-L25 HydrophobicContact CG1-CG 4.09Å; I23-L25 PolarHBondContact O-N 2.86Å; I23-M215 HydrophobicContact CD1-CE 3.51Å; I23-M215 HydrophobicContact CG1-CE 3.91Å; I23-M215 HydrophobicContact CG2-CE 4.15Å; I23-T219 HydrophobicContact CD1-CG2 3.78Å
24K95.7Very high95.8Very high196 Ų19665.8 Ų65.885%0.85231%0.314SS*.THydrogen-bonded Turntrans6022.1177.7-54.8-178.6-179.9178.60115K21 T22K21-K24 PolarHBondContact O-N 3.21Å; T22-K24 VanDerWaalsContact C-N 3.29Å
25L96.4Very high95.6Very high25 Ų2573.8 Ų73.813%0.13134%0.336CS..  trans-91.1147.5168.9-65.1-178.3000110.2M1 V3 I20 I23 P27 V55M1-L25 HydrophobicContact CB-CD2 3.54Å; M1-L25 HydrophobicContact CE-CD2 4.23Å; V3-L25 HydrophobicContact CG2-CB 4.12Å; V3-L25 HydrophobicContact CG2-CD1 3.58Å; V3-L25 HydrophobicContact CG2-CG 4.45Å; I20-L25 HydrophobicContact CG2-CB 3.72Å; I20-L25 PolarHBondContact O-N 3.07Å; I23-L25 HydrophobicContact CD1-CD1 3.58Å; I23-L25 HydrophobicContact CD1-CG 4.04Å; I23-L25 HydrophobicContact CG1-CB 4.38Å; I23-L25 HydrophobicContact CG1-CD1 4.17Å; I23-L25 HydrophobicContact CG1-CG 4.09Å; I23-L25 PolarHBondContact O-N 2.86Å; L25-P27 VanDerWaalsContact O-CD 3.28Å; L25-P27 WeakPolarHBondContact O-CD 3.36Å; L25-V55 HydrophobicContact CD1-CG2 4.27Å; L25-V55 HydrophobicContact CD2-CG2 4.34Å
26K97Very high95.2Very high127 Ų12774.7 Ų74.755%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-88.7111.1177.4-178.9179.7175.3-176.90110.3M1 S2 V3M1-K26 PolarHBondContact O-N 2.87Å; M1-K26 VanDerWaalsContact O-N 3.11Å; S2-K26 CarbonylContact C-O 3.49Å; S2-K26 WeakPolarHBondContact CA-O 3.39Å; S2-K26 VanDerWaalsContact CB-O 3.26Å; S2-K26 WeakPolarHBondContact CB-O 3.26Å; V3-K26 PolarHBondContact N-O 2.83Å
27P97.4Very high94.6Very high5 Ų582 Ų823%0.03239%0.391CS..EExtended strand (participates in β ladder)trans-72.2138.7172.229.7-33.1000110.5V3 V17 I20 K21 L25V3-P27 CarbonylContact O-C 3.6Å; V3-P27 WeakPolarHBondContact O-CA 3.42Å; V17-P27 HydrophobicContact CB-CB 4.46Å; V17-P27 HydrophobicContact CG1-CB 3.97Å; V17-P27 HydrophobicContact CG1-CG 3.79Å; V17-P27 HydrophobicContact CG2-CB 4.28Å; I20-P27 HydrophobicContact CB-CB 4.47Å; I20-P27 HydrophobicContact CG2-CB 4.06Å; I20-P27 HydrophobicContact CG2-CG 4.44Å; K21-P27 HydrophobicContact CD-CG 4.23Å; K21-P27 HydrophobicContact CG-CG 3.77Å; L25-P27 VanDerWaalsContact O-CD 3.28Å; L25-P27 WeakPolarHBondContact O-CD 3.36Å
28I97.6Very high94.1Very high20 Ų2083.7 Ų83.710%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-121.2117170.5-64.2168000106.9V3 L4 V5 V40 P51V3-I28 PolarHBondContact O-N 3.36Å; L4-I28 CarbonylContact C-O 3.55Å; L4-I28 WeakPolarHBondContact CA-O 3.47Å; L4-I28 HydrophobicContact CD1-CB 4.22Å; L4-I28 HydrophobicContact CD1-CG2 3.87Å; V5-I28 PolarHBondContact N-O 2.84Å; I28-V40 HydrophobicContact CG2-CG1 4.13Å; I28-V40 HydrophobicContact CG2-CG2 3.81Å; I28-P51 HydrophobicContact CD1-CB 4.1Å; I28-P51 HydrophobicContact CD1-CG 3.52Å
29I97.9Very high94.1Very high10 Ų1078.4 Ų78.45%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-94.7120.1-170-62.9168.7000109.6T9 V17 D38 H39 V40T9-I29 HydrophobicContact CG2-CG2 3.8Å; V17-I29 HydrophobicContact CG1-CD1 4.11Å; V17-I29 HydrophobicContact CG2-CD1 4Å; V17-I29 HydrophobicContact CG2-CG1 3.91Å; I29-D38 PolarHBondContact N-O 2.62Å; I29-H39 CarbonylContact O-C 3.52Å; I29-H39 VanDerWaalsContact O-CA 3.31Å; I29-H39 WeakPolarHBondContact O-CA 3.22Å; I29-V40 PolarHBondContact O-N 2.89Å
30V97.2Very high94Very high0 Ų076 Ų760%037%0.368CS..EExtended strand (participates in β ladder)trans-89.5120.5170.9-161.80000109.2L4 V5 G7 V40 W42 I45L4-V30 HydrophobicContact CD1-CG2 3.71Å; L4-V30 HydrophobicContact CD2-CG2 3.59Å; L4-V30 HydrophobicContact CG-CG2 3.52Å; V5-V30 PolarHBondContact O-N 3.49Å; G7-V30 PolarHBondContact N-O 3.07Å; V30-V40 WeakPolarHBondContact CA-O 3.32Å; V30-V40 HydrophobicContact CB-CG2 4.37Å; V30-V40 HydrophobicContact CG1-CG2 4.41Å; V30-V40 HydrophobicContact CG2-CG2 3.93Å; V30-W42 HydrophobicContact CB-CD2 4.5Å; V30-W42 HydrophobicContact CB-CH2 4.3Å; V30-W42 HydrophobicContact CB-CZ2 4.2Å; V30-W42 HydrophobicContact CB-CZ3 4.49Å; V30-W42 HydrophobicContact CG1-CD2 3.5Å; V30-W42 HydrophobicContact CG1-CE3 3.73Å; V30-W42 HydrophobicContact CG1-CG 3.89Å; V30-W42 HydrophobicContact CG1-CH2 4.25Å; V30-W42 HydrophobicContact CG1-CZ2 4.05Å; V30-W42 HydrophobicContact CG1-CZ3 4.1Å; V30-I45 HydrophobicContact CG1-CG1 4.25Å; V30-I45 HydrophobicContact CG2-CG1 4.04Å
31T94.2Very high93.9Very high14 Ų1478.4 Ų78.49%0.08638%0.382CS..  trans-144.9157-176.4-174.90000112.2T9 K33 H39 V40T9-T31 HydrophobicContact CG2-CG2 4.47Å; T31-K33 VanDerWaalsContact C-N 3.3Å; T31-K33 PolarHBondContact OG1-N 2.86Å; T31-H39 HydrophobicContact CG2-CB 3.95Å; T31-V40 PolarHBondContact N-O 2.84Å
32R89.9Confident93.9Very high171 Ų17174.3 Ų74.365%0.64536%0.363SS*.SBendtrans-72.2-24.9176-68.2173.7-71178.8-3.1112.6
33K89.3Confident93.8Very high154 Ų15475 Ų7567%0.6736%0.364SS*.SBendtrans-131.783.7-175.4-65.2-173.4180-1750109T31T31-K33 VanDerWaalsContact C-N 3.3Å; T31-K33 PolarHBondContact OG1-N 2.86Å
34P88.6Confident93.8Very high67 Ų6775.7 Ų75.744%0.43537%0.365SS..  trans-61.8138.9178.326.2-33.3000109.9H39 T41P34-H39 HydrophobicContact CB-CB 3.76Å; P34-T41 HydrophobicContact CG-CG2 3.88Å
35R90.4Very high93.8Very high218 Ų21866.4 Ų66.482%0.82333%0.325SS*.  trans-139.3-3.8-176.1-71-174.7179.1179.8-3.4112.9H39R35-H39 PolarHBondContact N-ND1 2.93Å
36A90Very high93.8Very high47 Ų4767.7 Ų67.739%0.38834%0.339SS..SBendtrans-146.8163-178.200000109D38 H39A36-D38 VanDerWaalsContact CB-OD1 3.25Å; A36-D38 WeakPolarHBondContact CB-OD1 3.27Å; A36-D38 PolarHBondContact O-N 2.85Å; A36-H39 VanDerWaalsContact O-CB 3.3Å; A36-H39 WeakPolarHBondContact O-CB 3.39Å; A36-H39 PolarHBondContact O-N 2.78Å
37V84.2Confident93.8Very high155 Ų15569 Ų6994%0.93935%0.347SS*.THydrogen-bonded Turntrans-65.2-28.6-175.7177.70000112.4H39V37-H39 PolarHBondContact O-N 3.25Å
38D88.3Confident93.7Very high45 Ų4572.6 Ų72.624%0.24137%0.369CS..THydrogen-bonded Turntrans-84.25.6174.961.2-19.4000113.2I29 A36I29-D38 PolarHBondContact N-O 2.62Å; A36-D38 VanDerWaalsContact CB-OD1 3.25Å; A36-D38 WeakPolarHBondContact CB-OD1 3.27Å; A36-D38 PolarHBondContact O-N 2.85Å
39H95.5Very high93.6Very high35 Ų3572.6 Ų72.616%0.16237%0.374CS..EExtended strand (participates in β ladder)trans-97.8128.1174.9-64.9-166.6000111.1I29 T31 P34 R35 A36 V37I29-H39 CarbonylContact O-C 3.52Å; I29-H39 VanDerWaalsContact O-CA 3.31Å; I29-H39 WeakPolarHBondContact O-CA 3.22Å; T31-H39 HydrophobicContact CG2-CB 3.95Å; P34-H39 HydrophobicContact CB-CB 3.76Å; R35-H39 PolarHBondContact N-ND1 2.93Å; A36-H39 VanDerWaalsContact O-CB 3.3Å; A36-H39 WeakPolarHBondContact O-CB 3.39Å; A36-H39 PolarHBondContact O-N 2.78Å; V37-H39 PolarHBondContact O-N 3.25Å
40V96.3Very high93.4Very high26 Ų2673.3 Ų73.316%0.15838%0.378CS..EExtended strand (participates in β ladder)trans-120.8160.6173.9-62.50000110.5I28 I29 V30 T31 I45I28-V40 HydrophobicContact CG2-CG1 4.13Å; I28-V40 HydrophobicContact CG2-CG2 3.81Å; I29-V40 PolarHBondContact O-N 2.89Å; V30-V40 WeakPolarHBondContact CA-O 3.32Å; V30-V40 HydrophobicContact CB-CG2 4.37Å; V30-V40 HydrophobicContact CG1-CG2 4.41Å; V30-V40 HydrophobicContact CG2-CG2 3.93Å; T31-V40 PolarHBondContact N-O 2.84Å; V40-I45 HydrophobicContact CG2-CD1 3.96Å; V40-I45 HydrophobicContact CG2-CG1 3.95Å
41T96.3Very high93.3Very high49 Ų4975 Ų7530%0.30139%0.388SS..  trans-93.2162.3177.265.80000111.3P34 N43 H44 I45P34-T41 HydrophobicContact CG-CG2 3.88Å; T41-N43 VanDerWaalsContact C-N 3.3Å; T41-N43 PolarHBondContact O-N 3.48Å; T41-H44 PolarHBondContact O-N 2.89Å; T41-H44 WeakPolarHBondContact OG1-CB 3.31Å; T41-H44 PolarHBondContact OG1-N 3.36Å; T41-H44 VanDerWaalsContact OG1-N 3.08Å; T41-I45 PolarHBondContact O-N 3.15Å
42W95.9Very high93.2Very high30 Ų3078.7 Ų78.711%0.11442%0.421CS..Hα-helixtrans-61.3-39.2172.2-65100.4000112V30 I45 A46 A61 T95 L98 L99V30-W42 HydrophobicContact CB-CD2 4.5Å; V30-W42 HydrophobicContact CB-CH2 4.3Å; V30-W42 HydrophobicContact CB-CZ2 4.2Å; V30-W42 HydrophobicContact CB-CZ3 4.49Å; V30-W42 HydrophobicContact CG1-CD2 3.5Å; V30-W42 HydrophobicContact CG1-CE3 3.73Å; V30-W42 HydrophobicContact CG1-CG 3.89Å; V30-W42 HydrophobicContact CG1-CH2 4.25Å; V30-W42 HydrophobicContact CG1-CZ2 4.05Å; V30-W42 HydrophobicContact CG1-CZ3 4.1Å; W42-I45 PolarHBondContact O-N 3.2Å; W42-A46 PolarHBondContact O-N 3.37Å; W42-A61 HydrophobicContact CH2-CB 3.88Å; W42-A61 HydrophobicContact CZ2-CB 3.52Å; W42-T95 HydrophobicContact CD2-CG2 3.93Å; W42-T95 HydrophobicContact CE3-CG2 4.14Å; W42-T95 HydrophobicContact CH2-CG2 3.98Å; W42-T95 HydrophobicContact CZ2-CG2 3.75Å; W42-T95 HydrophobicContact CZ3-CG2 4.15Å; W42-L98 HydrophobicContact CB-CD1 4.23Å; W42-L98 HydrophobicContact CE3-CD1 4.46Å; W42-L98 HydrophobicContact CE3-CD2 4.25Å; W42-L99 HydrophobicContact CH2-CD1 4.15Å; W42-L99 HydrophobicContact CZ3-CD1 3.8Å; W42-L99 HydrophobicContact CZ3-CD2 4.22Å; W42-L99 HydrophobicContact CZ3-CG 3.88Å
43N95.8Very high93.4Very high113 Ų11373.9 Ų73.960%0.60441%0.408SS*.Hα-helixtrans-63.6-42.8176.7-65.96.4000111.4T41 I45 A46 E47T41-N43 VanDerWaalsContact C-N 3.3Å; T41-N43 PolarHBondContact O-N 3.48Å; N43-I45 VanDerWaalsContact C-N 3.32Å; N43-I45 PolarHBondContact O-N 3.34Å; N43-A46 WeakPolarHBondContact O-CB 3.37Å; N43-A46 PolarHBondContact O-N 3.41Å; N43-A46 VanDerWaalsContact O-N 3.12Å; N43-E47 WeakPolarHBondContact O-CG 3.32Å; N43-E47 PolarHBondContact O-N 2.76Å
44H95.7Very high93.7Very high82 Ų8266.6 Ų66.638%0.3838%0.376SS..Hα-helixtrans-56.6-47.6175.3-177.273.9000111.1T41 A46 E47 T48T41-H44 PolarHBondContact O-N 2.89Å; T41-H44 WeakPolarHBondContact OG1-CB 3.31Å; T41-H44 PolarHBondContact OG1-N 3.36Å; T41-H44 VanDerWaalsContact OG1-N 3.08Å; H44-A46 VanDerWaalsContact C-N 3.34Å; H44-A46 PolarHBondContact O-N 3.43Å; H44-E47 PolarHBondContact O-N 3.24Å; H44-T48 PolarHBondContact O-N 2.87Å; H44-T48 PolarHBondContact O-OG1 3.09Å
45I96.6Very high94.1Very high2 Ų265.7 Ų65.71%0.0137%0.369CS..Hα-helixtrans-65-35.6177-64.6-59.9000112.7L4 V30 V40 T41 W42 N43 E47 G49 L98 L99 V102L4-I45 HydrophobicContact CD1-CD1 3.68Å; L4-I45 HydrophobicContact CD1-CG1 4.34Å; V30-I45 HydrophobicContact CG1-CG1 4.25Å; V30-I45 HydrophobicContact CG2-CG1 4.04Å; V40-I45 HydrophobicContact CG2-CD1 3.96Å; V40-I45 HydrophobicContact CG2-CG1 3.95Å; T41-I45 PolarHBondContact O-N 3.15Å; W42-I45 PolarHBondContact O-N 3.2Å; N43-I45 VanDerWaalsContact C-N 3.32Å; N43-I45 PolarHBondContact O-N 3.34Å; I45-E47 VanDerWaalsContact C-N 3.32Å; I45-G49 VanDerWaalsContact O-CA 3.23Å; I45-G49 WeakPolarHBondContact O-CA 3.19Å; I45-G49 PolarHBondContact O-N 3.47Å; I45-L98 HydrophobicContact CB-CD2 4.43Å; I45-L98 HydrophobicContact CG2-CD2 3.91Å; I45-L99 HydrophobicContact CG2-CD2 4.12Å; I45-V102 HydrophobicContact CG2-CG1 4.48Å; I45-V102 HydrophobicContact CG2-CG2 4.29Å
46A96.2Very high94.5Very high51 Ų5155.3 Ų55.342%0.42133%0.33SS..Hα-helixtrans-64.1-38.2175.100000112.4W42 N43 H44 L98W42-A46 PolarHBondContact O-N 3.37Å; N43-A46 WeakPolarHBondContact O-CB 3.37Å; N43-A46 PolarHBondContact O-N 3.41Å; N43-A46 VanDerWaalsContact O-N 3.12Å; H44-A46 VanDerWaalsContact C-N 3.34Å; H44-A46 PolarHBondContact O-N 3.43Å; A46-L98 HydrophobicContact CB-CD1 4.01Å; A46-L98 HydrophobicContact CB-CG 4.28Å
47E96Very high94.9Very high154 Ų15453 Ų5372%0.7231%0.311SS*.Hα-helixtrans-80.2-45.4-178.1-71166.1-164.500112.5N43 H44 I45N43-E47 WeakPolarHBondContact O-CG 3.32Å; N43-E47 PolarHBondContact O-N 2.76Å; H44-E47 PolarHBondContact O-N 3.24Å; I45-E47 VanDerWaalsContact C-N 3.32Å
48T95.3Very high95.5Very high82 Ų8245.7 Ų45.750%0.50327%0.267SS..Hα-helixtrans-97.5-14.1-172.167.40000113.9H44H44-T48 PolarHBondContact O-N 2.87Å; H44-T48 PolarHBondContact O-OG1 3.09Å
49G95.4Very high96Very high19 Ų1943.5 Ų43.520%0.19626%0.255CS..  trans70.9-158.9-171.500000113.5I45I45-G49 VanDerWaalsContact O-CA 3.23Å; I45-G49 WeakPolarHBondContact O-CA 3.19Å; I45-G49 PolarHBondContact O-N 3.47Å
50L95.3Very high96.1Very high26 Ų2643.2 Ų43.214%0.13625%0.254CS..SBendtrans-78.6146.1178.4-64.9179.4000111.8L4 C54 V57 V102 L103 V111L4-L50 HydrophobicContact CD2-CD2 3.94Å; L50-C54 HydrophobicContact CB-CB 4.38Å; L50-V57 HydrophobicContact CD1-CG2 3.91Å; L50-V57 HydrophobicContact CD2-CG2 3.78Å; L50-V102 HydrophobicContact CD2-CG1 4.1Å; L50-V102 HydrophobicContact CG-CG1 3.74Å; L50-L103 HydrophobicContact CD1-CD2 3.53Å; L50-L103 HydrophobicContact CD1-CG 4.09Å; L50-V111 HydrophobicContact CD1-CG1 4.45Å; L50-V111 HydrophobicContact CD1-CG2 4.42Å
51P93.4Very high96Very high35 Ų3542.3 Ų42.323%0.22725%0.25CS..  trans-52.3143.4166.6-21.830.6000111.5I28 D53 C54 R109I28-P51 HydrophobicContact CD1-CB 4.1Å; I28-P51 HydrophobicContact CD1-CG 3.52Å; P51-D53 PolarHBondContact O-N 3.33Å; P51-D53 VanDerWaalsContact O-N 3.14Å; P51-C54 HydrophobicContact CB-CB 4.04Å; P51-C54 HydrophobicContact CG-CB 4.25Å; P51-C54 VanDerWaalsContact O-CB 3.22Å; P51-C54 WeakPolarHBondContact O-CB 3.49Å; P51-C54 PolarHBondContact O-N 3.44Å; P51-C54 VanDerWaalsContact O-N 3.08Å; P51-R109 PolarHBondContact O-NH2 3.12Å
52A92.9Very high95.6Very high92 Ų9241.6 Ų41.676%0.7625%0.252SS*.THydrogen-bonded Turntrans-58.4-31.5-175.700000113.1R109A52-R109 PolarHBondContact O-NE 2.79Å
53D94.7Very high95Very high70 Ų7040.3 Ų40.337%0.37425%0.248SC..THydrogen-bonded Turntrans-97.710.3-178.581.3-36.1000114.3M1 S2 P51 V55M1-D53 CarbonylContact C-O 3.52Å; M1-D53 WeakPolarHBondContact CA-O 3.15Å; M1-D53 WeakPolarHBondContact CA-OD2 3.07Å; M1-D53 PolarHBondContact N-OD2 3.46Å; S2-D53 WeakPolarHBondContact CB-OD1 3.25Å; S2-D53 PolarHBondContact N-O 3.27Å; S2-D53 PolarHBondContact N-OD2 3.26Å; S2-D53 PolarHBondContact OG-OD1 2.91Å; P51-D53 PolarHBondContact O-N 3.33Å; P51-D53 VanDerWaalsContact O-N 3.14Å; D53-V55 PolarHBondContact O-N 2.99Å
54C96.1Very high94.3Very high0 Ų039.4 Ų39.40%024%0.243CC..EExtended strand (participates in β ladder)trans-76.799.6-172.9176.80000112.7S2 L50 P51 G56 R109S2-C54 CarbonylContact O-C 3.56Å; S2-C54 WeakPolarHBondContact O-CA 3.39Å; S2-C54 WeakPolarHBondContact OG-CA 3.2Å; S2-C54 PolarHBondContact OG-N 2.76Å; L50-C54 HydrophobicContact CB-CB 4.38Å; P51-C54 HydrophobicContact CB-CB 4.04Å; P51-C54 HydrophobicContact CG-CB 4.25Å; P51-C54 VanDerWaalsContact O-CB 3.22Å; P51-C54 WeakPolarHBondContact O-CB 3.49Å; P51-C54 PolarHBondContact O-N 3.44Å; P51-C54 VanDerWaalsContact O-N 3.08Å; C54-G56 PolarHBondContact SG-O 2.96Å; C54-R109 PolarHBondContact O-NH1 2.84Å; C54-R109 PolarHBondContact O-NH2 2.86Å
55V96.6Very high93.5Very high48 Ų4836.9 Ų36.929%0.29123%0.232SC..EExtended strand (participates in β ladder)trans-83.8-15.6-175.8-63.90000114.1M1 S2 V3 L25 D53 T112M1-V55 HydrophobicContact CB-CG1 4.04Å; M1-V55 HydrophobicContact CB-CG2 4.25Å; M1-V55 HydrophobicContact CG-CG1 3.84Å; M1-V55 HydrophobicContact SD-CG1 3.65Å; S2-V55 WeakPolarHBondContact O-CG2 3.32Å; S2-V55 PolarHBondContact O-N 3.15Å; V3-V55 HydrophobicContact CG2-CG2 4.41Å; L25-V55 HydrophobicContact CD1-CG2 4.27Å; L25-V55 HydrophobicContact CD2-CG2 4.34Å; D53-V55 PolarHBondContact O-N 2.99Å; V55-T112 PolarHBondContact O-N 3.49Å; V55-T112 VanDerWaalsContact O-N 3.12Å
56G97.6Very high92.2Very high0 Ų037.9 Ų37.90%024%0.242CC..EExtended strand (participates in β ladder)trans-150.7151178.400000113.5V3 L4 C54 T112V3-G56 CarbonylContact C-O 3.47Å; V3-G56 VanDerWaalsContact CA-O 3.27Å; V3-G56 WeakPolarHBondContact CA-O 3.28Å; L4-G56 PolarHBondContact N-O 3.37Å; C54-G56 PolarHBondContact SG-O 2.96Å; G56-T112 CarbonylContact C-O 3.52Å; G56-T112 VanDerWaalsContact CA-O 3.27Å; G56-T112 WeakPolarHBondContact CA-O 3.3Å
57V98.3Very high90.9Very high0 Ų037.8 Ų37.80%024%0.235CC..EExtended strand (participates in β ladder)trans-128.2121.4176.9177.10000107.7L4 L50 L99 V111 T112 F113 I114L4-V57 HydrophobicContact CB-CB 4.5Å; L4-V57 HydrophobicContact CB-CG1 4.42Å; L4-V57 HydrophobicContact CB-CG2 4.07Å; L4-V57 HydrophobicContact CD2-CG1 4.04Å; L4-V57 HydrophobicContact CD2-CG2 4.44Å; L4-V57 CarbonylContact O-C 3.45Å; L4-V57 WeakPolarHBondContact O-CA 3.26Å; L50-V57 HydrophobicContact CD1-CG2 3.91Å; L50-V57 HydrophobicContact CD2-CG2 3.78Å; V57-L99 HydrophobicContact CG1-CD1 3.97Å; V57-L99 HydrophobicContact CG1-CD2 4.11Å; V57-L99 HydrophobicContact CG1-CG 4.44Å; V57-V111 HydrophobicContact CG2-CG1 3.95Å; V57-T112 PolarHBondContact N-O 2.8Å; V57-F113 HydrophobicContact CB-CD2 3.92Å; V57-F113 HydrophobicContact CG1-CD2 3.75Å; V57-F113 HydrophobicContact CG1-CE2 3.86Å; V57-F113 WeakPolarHBondContact O-CA 3.39Å; V57-I114 PolarHBondContact O-N 3.49Å
58V98.5Very high89.1Confident0 Ų032.1 Ų32.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116120.1174.8-170.90000109.2V3 L4 V5 G6 L16 L60 I114 Y214V3-V58 HydrophobicContact CG1-CG2 4.26Å; L4-V58 PolarHBondContact O-N 2.9Å; V5-V58 CarbonylContact C-O 3.55Å; V5-V58 WeakPolarHBondContact CA-O 3.13Å; G6-V58 PolarHBondContact N-O 3.24Å; L16-V58 HydrophobicContact CD2-CB 4.1Å; L16-V58 HydrophobicContact CD2-CG1 3.73Å; L16-V58 HydrophobicContact CD2-CG2 4.24Å; V58-L60 HydrophobicContact CG1-CD2 3.92Å; V58-L60 HydrophobicContact CG1-CG 4.04Å; V58-I114 CarbonylContact C-O 3.57Å; V58-I114 WeakPolarHBondContact CA-O 3.29Å; V58-I114 HydrophobicContact CG1-CB 4.35Å; V58-I114 HydrophobicContact CG1-CG2 4.49Å; V58-I114 HydrophobicContact CG2-CB 4.29Å; V58-I114 HydrophobicContact CG2-CD1 4.11Å; V58-Y214 HydrophobicContact CG1-CD1 3.59Å; V58-Y214 HydrophobicContact CG1-CE1 3.92Å; V58-Y214 HydrophobicContact CG1-CG 4.46Å
59N98.4Very high87.3Confident0 Ų033.9 Ų33.90%022%0.217CC..EExtended strand (participates in β ladder)trans-103.1110.3174.7-163.118.7000111.9A61 T95 T96 L99 I114 T116N59-A61 WeakPolarHBondContact OD1-CB 3.38Å; N59-A61 PolarHBondContact OD1-N 3.45Å; N59-A61 VanDerWaalsContact OD1-N 3.13Å; N59-T95 PolarHBondContact ND2-OG1 3.2Å; N59-T96 PolarHBondContact ND2-N 2.8Å; N59-T96 PolarHBondContact ND2-OG1 2.74Å; N59-L99 HydrophobicContact CB-CD1 3.73Å; N59-I114 PolarHBondContact N-O 3.15Å; N59-T116 WeakPolarHBondContact O-CB 3.41Å; N59-T116 PolarHBondContact O-N 2.8Å; N59-T116 VanDerWaalsContact O-N 3.17Å; N59-T116 PolarHBondContact O-OG1 3.03Å
60L97.1Very high85.4Confident28 Ų2835.6 Ų35.615%0.14722%0.218CC..  trans-112.38.6173.4-51.5177.6000111.4V5 G6 I12 L16 V58 G62 T116 Y214V5-L60 HydrophobicContact CG1-CD1 4.33Å; G6-L60 CarbonylContact O-C 3.35Å; G6-L60 WeakPolarHBondContact O-CA 3.43Å; G6-L60 WeakPolarHBondContact O-CB 3.32Å; G6-L60 PolarHBondContact O-N 3.35Å; I12-L60 HydrophobicContact CB-CD1 4.25Å; I12-L60 HydrophobicContact CG2-CD1 3.98Å; I12-L60 HydrophobicContact CG2-CD2 4.5Å; L16-L60 HydrophobicContact CD2-CD1 3.89Å; V58-L60 HydrophobicContact CG1-CD2 3.92Å; V58-L60 HydrophobicContact CG1-CG 4.04Å; L60-G62 PolarHBondContact O-N 2.8Å; L60-T116 WeakPolarHBondContact CD2-OG1 3.38Å; L60-Y214 HydrophobicContact CD2-CD1 4.17Å; L60-Y214 HydrophobicContact CD2-CD2 4.46Å; L60-Y214 HydrophobicContact CD2-CE1 3.46Å; L60-Y214 VanDerWaalsContact CD2-CE1 3.46Å; L60-Y214 HydrophobicContact CD2-CE2 3.81Å; L60-Y214 WeakPolarHBondContact CD2-OH 3.48Å
61A93.5Very high83.1Confident8 Ų839 Ų397%0.06623%0.229CC..  trans-67.8131.2-176.300000111.3G6 W42 N59 T95G6-A61 PolarHBondContact O-N 3.16Å; W42-A61 HydrophobicContact CH2-CB 3.88Å; W42-A61 HydrophobicContact CZ2-CB 3.52Å; N59-A61 WeakPolarHBondContact OD1-CB 3.38Å; N59-A61 PolarHBondContact OD1-N 3.45Å; N59-A61 VanDerWaalsContact OD1-N 3.13Å; A61-T95 HydrophobicContact CB-CG2 4.25Å
62G89.1Confident81Confident33 Ų3346 Ų4634%0.3426%0.256SS..  trans-179.6140.917500000110.5L60L60-G62 PolarHBondContact O-N 2.8Å
63A82.5Confident78.6Confident3 Ų343.6 Ų43.63%0.02524%0.236CC..  trans-63.7141.2167.500000109.5I65 E87 I88 S91 R92A63-I65 PolarHBondContact O-N 3.09Å; A63-E87 HydrophobicContact CB-CG 4.24Å; A63-I88 HydrophobicContact CB-CD1 3.73Å; A63-S91 PolarHBondContact N-OG 3.16Å; A63-R92 PolarHBondContact O-NH1 3.31Å; A63-R92 PolarHBondContact O-NH2 2.84Å
64N80.8Confident76.1Confident94 Ų9449.3 Ų49.350%0.50326%0.258SS..  trans-65.5125.1178.7-173.6-11.7000108.9G66 Y84N64-G66 PolarHBondContact OD1-N 3.31Å; N64-Y84 PolarHBondContact O-OH 2.9Å
65I79.5Confident73.6Confident30 Ų3058.5 Ų58.515%0.15430%0.3CS..SBendtrans-82.1-35-180-65.9167.8000111.1A63 I88 F143 R269 M272A63-I65 PolarHBondContact O-N 3.09Å; I65-I88 HydrophobicContact CD1-CG2 4.35Å; I65-I88 HydrophobicContact CG1-CD1 3.76Å; I65-I88 HydrophobicContact CG1-CG1 4.39Å; I65-I88 HydrophobicContact CG1-CG2 4.11Å; I65-F143 HydrophobicContact CD1-CE1 4.28Å; I65-F143 HydrophobicContact CG2-CE1 3.84Å; I65-F143 HydrophobicContact CG2-CZ 4.2Å; I65-R269 WeakPolarHBondContact O-CD 3.2Å; I65-R269 PolarHBondContact O-NH1 3.39Å; I65-R269 VanDerWaalsContact O-NH1 3.13Å; I65-M272 HydrophobicContact CG2-CE 4.43Å; I65-M272 HydrophobicContact CG2-SD 4.34Å
66G69.8Low70.9Confident22 Ų2263.7 Ų63.723%0.22732%0.321CS..  trans-99.727.3-169.600000113.9N64 P68 Q182N64-G66 PolarHBondContact OD1-N 3.31Å; G66-P68 WeakPolarHBondContact O-CD 3.44Å; G66-Q182 PolarHBondContact O-NE2 3.47Å; G66-Q182 PolarHBondContact O-OE1 2.85Å
67D67.8Low68.3Low50 Ų5068.5 Ų68.527%0.26734%0.34SS..  trans-83.8106.5175.5-172.1-8.4000110.3L69 R70D67-L69 VanDerWaalsContact C-N 3.31Å; D67-L69 WeakPolarHBondContact OD1-CB 3.44Å; D67-L69 PolarHBondContact OD1-N 3.37Å; D67-R70 HydrophobicContact CB-CG 4.49Å
68P59.2Low66Low34 Ų3470.2 Ų70.222%0.22135%0.351CS..SBendtrans-73.9-25.4177.330.4-34.8000111.8G66 R70 R71 I264 F265G66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-R70 PolarHBondContact O-N 3.28Å; P68-R71 WeakPolarHBondContact O-CB 3.27Å; P68-R71 PolarHBondContact O-N 3Å; P68-I264 HydrophobicContact CB-CG2 4.29Å; P68-F265 HydrophobicContact CB-CE1 3.78Å; P68-F265 HydrophobicContact CB-CZ 4.15Å
69L56.2Low64.3Low120 Ų12079 Ų7963%0.62838%0.384SS*.G310 helixtrans-76.3-12.2-174.5-65.3174.7000112.5D67 R71 F72D67-L69 VanDerWaalsContact C-N 3.31Å; D67-L69 WeakPolarHBondContact OD1-CB 3.44Å; D67-L69 PolarHBondContact OD1-N 3.37Å; L69-R71 PolarHBondContact O-N 3.18Å; L69-R71 VanDerWaalsContact O-N 3.1Å; L69-F72 HydrophobicContact CD2-CD2 4.45Å; L69-F72 PolarHBondContact O-N 3.24Å
70R55.9Low63.1Low54 Ų5480.6 Ų80.620%0.20439%0.39CS..G310 helixtrans-58.3-20.8168.8-93.3-161171.3-161.72.9113D67 P68 F72 A73 V78 E87D67-R70 HydrophobicContact CB-CG 4.49Å; P68-R70 PolarHBondContact O-N 3.28Å; R70-F72 PolarHBondContact O-N 2.8Å; R70-F72 VanDerWaalsContact O-N 3.11Å; R70-A73 PolarHBondContact O-N 3.01Å; R70-V78 WeakPolarHBondContact O-CA 3.39Å; R70-E87 IonicContact CZ-OE1 3.82Å; R70-E87 IonicContact CZ-OE2 3.93Å; R70-E87 IonicContact NH1-OE1 3.56Å; R70-E87 IonicContact NH1-OE2 2.79Å; R70-E87 PolarHBondContact NH1-OE2 3.3Å; R70-E87 IonicContact NH2-OE1 4Å; R70-E87 PolarHBondContact NH2-OE1 2.9Å; R70-E87 IonicContact NH2-OE2 2.65Å; R70-E87 PolarHBondContact NH2-OE2 3.09Å
71R47.7Very low62.1Low99 Ų9981.1 Ų81.137%0.37439%0.394SS..G310 helixtrans-60.7-18.8172-158.9178.4168.5176.12113.6P68 L69 V78 L263P68-R71 WeakPolarHBondContact O-CB 3.27Å; P68-R71 PolarHBondContact O-N 3Å; L69-R71 PolarHBondContact O-N 3.18Å; L69-R71 VanDerWaalsContact O-N 3.1Å; R71-V78 HydrophobicContact CB-CG1 4.47Å; R71-V78 HydrophobicContact CG-CG1 3.87Å; R71-V78 WeakPolarHBondContact O-CG1 3.31Å; R71-L263 PolarHBondContact NH1-O 3.47Å
72F48.2Very low61.6Low181 Ų18184.7 Ų84.779%0.79442%0.419SS*.G310 helixtrans-109.4-2.4175.9-59.3-74.7000113.4L69 R70L69-F72 HydrophobicContact CD2-CD2 4.45Å; L69-F72 PolarHBondContact O-N 3.24Å; R70-F72 PolarHBondContact O-N 2.8Å; R70-F72 VanDerWaalsContact O-N 3.11Å
73A43.6Very low61.4Low41 Ų4188.5 Ų88.534%0.33943%0.428SS..SBendtrans-81.5130.5173.300000108.7R70 V78R70-A73 PolarHBondContact O-N 3.01Å; A73-V78 WeakPolarHBondContact O-CG2 3.41Å
74K41.7Very low61.4Low191 Ų19188.5 Ų88.583%0.8343%0.427SS*.THydrogen-bonded Turntrans-10125.5179.4-85.3-177.2171.1-176.80115.2Q76 Y77K74-Q76 PolarHBondContact O-N 3.22Å; K74-Y77 PolarHBondContact O-N 2.82Å; K74-Y77 VanDerWaalsContact O-N 3.07Å
75E43.3Very low61.7Low192 Ų19286.4 Ų86.490%0.89741%0.413SS*.G310 helixtrans-15.5-37.1-177.3-79.9168.6156.600118.9Y77E75-Y77 VanDerWaalsContact C-N 3.35Å; E75-Y77 PolarHBondContact O-N 2.78Å
76Q41.2Very low62.2Low157 Ų15791.6 Ų91.673%0.73444%0.435SS*.G310 helixtrans-72.7-14.7-179.3-60.5-174.5-16.400115.4K74K74-Q76 PolarHBondContact O-N 3.22Å
77Y42.6Very low63.2Low102 Ų10292.5 Ų92.540%0.443%0.433SS..G310 helixtrans-118.211.4-173.9-69-75.2000115.3K74 E75 E87K74-Y77 PolarHBondContact O-N 2.82Å; K74-Y77 VanDerWaalsContact O-N 3.07Å; E75-Y77 VanDerWaalsContact C-N 3.35Å; E75-Y77 PolarHBondContact O-N 2.78Å; Y77-E87 VanDerWaalsContact CE1-OE2 3.32Å; Y77-E87 WeakPolarHBondContact CE1-OE2 3.3Å
78V50.2Low64.3Low36 Ų3690.1 Ų90.122%0.21842%0.42CS..SBendtrans-89.1-20.4-158.7169.30000114.9R70 R71 A73R70-V78 WeakPolarHBondContact O-CA 3.39Å; R71-V78 HydrophobicContact CB-CG1 4.47Å; R71-V78 HydrophobicContact CG-CG1 3.87Å; R71-V78 WeakPolarHBondContact O-CG1 3.31Å; A73-V78 WeakPolarHBondContact O-CG2 3.41Å
79R62.7Low66Low184 Ų18492 Ų9269%0.69442%0.423SS*.SBendtrans-128.5162.9-176.7-68.1-177179.5176.70.2110.6T81R79-T81 HydrophobicContact CB-CG2 3.78Å; R79-T81 WeakPolarHBondContact O-CG2 3.39Å; R79-T81 PolarHBondContact O-N 3.07Å
80W71.9Confident67.8Low34 Ų3489.5 Ų89.513%0.12941%0.411CS..SBendtrans-68.171.1170.2-170.4-113.6000109.8Y84 K85 I88 F142 F143 E268 R269W80-Y84 AromaticContact CE3-CD1 3.55Å; W80-Y84 HydrophobicContact CE3-CD1 3.55Å; W80-Y84 AromaticContact CE3-CE1 3.61Å; W80-Y84 HydrophobicContact CE3-CE1 3.61Å; W80-Y84 AromaticContact CZ3-CD1 3.83Å; W80-Y84 HydrophobicContact CZ3-CD1 3.83Å; W80-Y84 AromaticContact CZ3-CE1 3.61Å; W80-Y84 HydrophobicContact CZ3-CE1 3.61Å; W80-K85 VanDerWaalsContact CD1-CE 3.47Å; W80-K85 HydrophobicContact CD2-CG 4.44Å; W80-K85 HydrophobicContact CZ2-CG 4.07Å; W80-I88 HydrophobicContact CZ3-CG1 4.32Å; W80-F142 HydrophobicContact CH2-CD1 4.07Å; W80-F142 AromaticContact CH2-CE1 3.72Å; W80-F142 HydrophobicContact CH2-CE1 3.72Å; W80-F142 AromaticContact CZ2-CD1 3.57Å; W80-F142 HydrophobicContact CZ2-CD1 3.57Å; W80-F142 AromaticContact CZ2-CE1 3.65Å; W80-F142 HydrophobicContact CZ2-CE1 3.65Å; W80-F142 HydrophobicContact CZ2-CG 4.35Å; W80-F142 HydrophobicContact CZ2-CZ 4.49Å; W80-F143 AromaticContact CH2-CE1 3.8Å; W80-F143 HydrophobicContact CH2-CE1 3.8Å; W80-F143 AromaticContact CH2-CZ 3.61Å; W80-F143 HydrophobicContact CH2-CZ 3.61Å; W80-F143 HydrophobicContact CZ2-CE1 4.08Å; W80-F143 HydrophobicContact CZ2-CE2 4.27Å; W80-F143 AromaticContact CZ2-CZ 3.58Å; W80-F143 HydrophobicContact CZ2-CZ 3.58Å; W80-E268 PolarHBondContact NE1-OE2 3.31Å; W80-R269 HydrophobicContact CD2-CG 3.77Å; W80-R269 HydrophobicContact CE3-CG 3.6Å; W80-R269 HydrophobicContact CG-CG 4.42Å; W80-R269 HydrophobicContact CH2-CG 4.09Å; W80-R269 HydrophobicContact CZ2-CG 4.21Å; W80-R269 HydrophobicContact CZ3-CG 3.78Å
81T77.1Confident69.6Low39 Ų3987.8 Ų87.824%0.23941%0.407CS..  trans-93.6167.5-175.772.40000111.6R79 E83 Y84 K85R79-T81 HydrophobicContact CB-CG2 3.78Å; R79-T81 WeakPolarHBondContact O-CG2 3.39Å; R79-T81 PolarHBondContact O-N 3.07Å; T81-E83 WeakPolarHBondContact CB-OE2 3.34Å; T81-E83 PolarHBondContact O-N 3.03Å; T81-E83 PolarHBondContact OG1-N 3.25Å; T81-E83 PolarHBondContact OG1-OE2 3.22Å; T81-Y84 PolarHBondContact O-N 3.41Å; T81-Y84 PolarHBondContact OG1-N 3.36Å; T81-K85 WeakPolarHBondContact O-CG 3.39Å; T81-K85 PolarHBondContact O-N 3.29Å
82S83Confident71.9Confident82 Ų8284.2 Ų84.257%0.57339%0.394SS*.Hα-helixtrans-51.6-41.5170.432.10000112.5K85 K86S82-K85 PolarHBondContact O-N 3.19Å; S82-K86 WeakPolarHBondContact O-CB 3.25Å; S82-K86 PolarHBondContact O-N 2.94Å
83E84.6Confident74.2Confident114 Ų11476.4 Ų76.453%0.53336%0.36SS..Hα-helixtrans-68-42.3-177.7-59.965.4-129.600110.7T81 K86 E87T81-E83 WeakPolarHBondContact CB-OE2 3.34Å; T81-E83 PolarHBondContact O-N 3.03Å; T81-E83 PolarHBondContact OG1-N 3.25Å; T81-E83 PolarHBondContact OG1-OE2 3.22Å; E83-K86 WeakPolarHBondContact O-CB 3.39Å; E83-K86 PolarHBondContact O-N 3.35Å; E83-E87 PolarHBondContact O-N 2.93Å
84Y82.7Confident76.7Confident3 Ų377.4 Ų77.41%0.01237%0.365CS..Hα-helixtrans-71.6-39.6178.2-177.9-133.1000111.9N64 W80 T81 K86 E87 I88N64-Y84 PolarHBondContact O-OH 2.9Å; W80-Y84 AromaticContact CE3-CD1 3.55Å; W80-Y84 HydrophobicContact CE3-CD1 3.55Å; W80-Y84 AromaticContact CE3-CE1 3.61Å; W80-Y84 HydrophobicContact CE3-CE1 3.61Å; W80-Y84 AromaticContact CZ3-CD1 3.83Å; W80-Y84 HydrophobicContact CZ3-CD1 3.83Å; W80-Y84 AromaticContact CZ3-CE1 3.61Å; W80-Y84 HydrophobicContact CZ3-CE1 3.61Å; T81-Y84 PolarHBondContact O-N 3.41Å; T81-Y84 PolarHBondContact OG1-N 3.36Å; Y84-K86 PolarHBondContact O-N 3.45Å; Y84-E87 HydrophobicContact CD2-CB 4.38Å; Y84-E87 WeakPolarHBondContact O-CB 3.24Å; Y84-E87 PolarHBondContact O-N 3.49Å; Y84-E87 VanDerWaalsContact O-N 3.1Å; Y84-I88 HydrophobicContact CD2-CD1 4.43Å; Y84-I88 HydrophobicContact CD2-CG1 4.24Å; Y84-I88 HydrophobicContact CE1-CG1 4.36Å; Y84-I88 HydrophobicContact CE2-CD1 3.68Å; Y84-I88 HydrophobicContact CE2-CG1 3.93Å; Y84-I88 WeakPolarHBondContact O-CG1 3.45Å; Y84-I88 PolarHBondContact O-N 3.48Å
85K87.5Confident79.4Confident49 Ų4969.1 Ų69.121%0.21333%0.33CS..Hα-helixtrans-54.8-44169.6-74.6-179.5178.1-172.60111W80 T81 S82 I88 Y89 F142 E268W80-K85 VanDerWaalsContact CD1-CE 3.47Å; W80-K85 HydrophobicContact CD2-CG 4.44Å; W80-K85 HydrophobicContact CZ2-CG 4.07Å; T81-K85 WeakPolarHBondContact O-CG 3.39Å; T81-K85 PolarHBondContact O-N 3.29Å; S82-K85 PolarHBondContact O-N 3.19Å; K85-I88 PolarHBondContact O-N 3.43Å; K85-Y89 WeakPolarHBondContact O-CB 3.46Å; K85-Y89 PolarHBondContact O-N 3.12Å; K85-F142 HydrophobicContact CB-CE2 3.72Å; K85-F142 HydrophobicContact CB-CZ 3.87Å; K85-F142 HydrophobicContact CD-CD2 4.1Å; K85-F142 HydrophobicContact CD-CE2 4.11Å; K85-F142 HydrophobicContact CG-CD2 4.31Å; K85-F142 HydrophobicContact CG-CE2 3.89Å; K85-F142 HydrophobicContact CG-CZ 3.99Å; K85-E268 WeakPolarHBondContact CE-OE2 3.35Å; K85-E268 IonicContact NZ-OE1 2.73Å; K85-E268 PolarHBondContact NZ-OE1 3.38Å; K85-E268 IonicContact NZ-OE2 2.62Å; K85-E268 PolarHBondContact NZ-OE2 3.11Å
86K90.1Very high82Confident139 Ų13960 Ų6060%0.60429%0.288SS*.Hα-helixtrans-64.1-38.6175.4-172.1174.4-176.5176.70112.6S82 E83 Y84 Y89 N90S82-K86 WeakPolarHBondContact O-CB 3.25Å; S82-K86 PolarHBondContact O-N 2.94Å; E83-K86 WeakPolarHBondContact O-CB 3.39Å; E83-K86 PolarHBondContact O-N 3.35Å; Y84-K86 PolarHBondContact O-N 3.45Å; K86-Y89 PolarHBondContact O-N 3.23Å; K86-N90 VanDerWaalsContact O-CB 3.29Å; K86-N90 WeakPolarHBondContact O-CB 3.37Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 2.95Å
87E90.2Very high84.7Confident41 Ų4157.9 Ų57.919%0.19228%0.276CS..Hα-helixtrans-63.6-47.2172.2-173.3-171.6165.700111.6A63 R70 Y77 E83 Y84 Y89 S91A63-E87 HydrophobicContact CB-CG 4.24Å; R70-E87 IonicContact CZ-OE1 3.82Å; R70-E87 IonicContact CZ-OE2 3.93Å; R70-E87 IonicContact NH1-OE1 3.56Å; R70-E87 IonicContact NH1-OE2 2.79Å; R70-E87 PolarHBondContact NH1-OE2 3.3Å; R70-E87 IonicContact NH2-OE1 4Å; R70-E87 PolarHBondContact NH2-OE1 2.9Å; R70-E87 IonicContact NH2-OE2 2.65Å; R70-E87 PolarHBondContact NH2-OE2 3.09Å; Y77-E87 VanDerWaalsContact CE1-OE2 3.32Å; Y77-E87 WeakPolarHBondContact CE1-OE2 3.3Å; E83-E87 PolarHBondContact O-N 2.93Å; Y84-E87 HydrophobicContact CD2-CB 4.38Å; Y84-E87 WeakPolarHBondContact O-CB 3.24Å; Y84-E87 PolarHBondContact O-N 3.49Å; Y84-E87 VanDerWaalsContact O-N 3.1Å; E87-Y89 VanDerWaalsContact C-N 3.28Å; E87-Y89 PolarHBondContact O-N 3.08Å; E87-S91 WeakPolarHBondContact O-CB 3.23Å; E87-S91 PolarHBondContact O-N 3.27Å; E87-S91 PolarHBondContact O-OG 3.41Å
88I91Very high87.3Confident0 Ų054.6 Ų54.60%027%0.265CS..Hα-helixtrans-56-46.3176.6-69.8-53.7000110.2A63 I65 W80 Y84 K85 S91 R92 F142 L146A63-I88 HydrophobicContact CB-CD1 3.73Å; I65-I88 HydrophobicContact CD1-CG2 4.35Å; I65-I88 HydrophobicContact CG1-CD1 3.76Å; I65-I88 HydrophobicContact CG1-CG1 4.39Å; I65-I88 HydrophobicContact CG1-CG2 4.11Å; W80-I88 HydrophobicContact CZ3-CG1 4.32Å; Y84-I88 HydrophobicContact CD2-CD1 4.43Å; Y84-I88 HydrophobicContact CD2-CG1 4.24Å; Y84-I88 HydrophobicContact CE1-CG1 4.36Å; Y84-I88 HydrophobicContact CE2-CD1 3.68Å; Y84-I88 HydrophobicContact CE2-CG1 3.93Å; Y84-I88 WeakPolarHBondContact O-CG1 3.45Å; Y84-I88 PolarHBondContact O-N 3.48Å; K85-I88 PolarHBondContact O-N 3.43Å; I88-S91 PolarHBondContact O-OG 2.91Å; I88-R92 PolarHBondContact O-NH1 3.01Å; I88-F142 HydrophobicContact CB-CZ 4.46Å; I88-F142 HydrophobicContact CG2-CE1 4.1Å; I88-F142 HydrophobicContact CG2-CZ 4.17Å; I88-L146 HydrophobicContact CG2-CD2 3.59Å
89Y94.3Very high89.6Confident73 Ų7352.9 Ų52.929%0.28626%0.255SS..Hα-helixtrans-63.7-60178.2-170.2-85.8000111.9K85 K86 E87 S91 R92 I93 L146 D149K85-Y89 WeakPolarHBondContact O-CB 3.46Å; K85-Y89 PolarHBondContact O-N 3.12Å; K86-Y89 PolarHBondContact O-N 3.23Å; E87-Y89 VanDerWaalsContact C-N 3.28Å; E87-Y89 PolarHBondContact O-N 3.08Å; Y89-S91 VanDerWaalsContact C-N 3.3Å; Y89-S91 PolarHBondContact O-N 2.9Å; Y89-R92 PolarHBondContact O-N 3.4Å; Y89-I93 HydrophobicContact CD1-CB 4.07Å; Y89-I93 HydrophobicContact CD1-CG1 4.19Å; Y89-I93 HydrophobicContact CD1-CG2 4.48Å; Y89-I93 HydrophobicContact CD2-CD1 4.35Å; Y89-I93 HydrophobicContact CD2-CG1 4.41Å; Y89-I93 HydrophobicContact CE1-CB 3.77Å; Y89-I93 HydrophobicContact CE1-CG1 3.81Å; Y89-I93 HydrophobicContact CE1-CG2 3.76Å; Y89-I93 HydrophobicContact CE2-CD1 4.36Å; Y89-I93 HydrophobicContact CE2-CG1 4.06Å; Y89-I93 HydrophobicContact CG-CD1 4.49Å; Y89-I93 HydrophobicContact CG-CG1 4.48Å; Y89-I93 WeakPolarHBondContact O-CD1 3.31Å; Y89-I93 PolarHBondContact O-N 3.4Å; Y89-L146 HydrophobicContact CD2-CD1 3.74Å; Y89-L146 HydrophobicContact CG-CD1 4.28Å; Y89-D149 HydrophobicContact CE2-CB 3.88Å; Y89-D149 WeakPolarHBondContact CE2-OD2 3.26Å; Y89-D149 PolarHBondContact OH-OD2 3.15Å
90N93.7Very high91.2Very high68 Ų6844.2 Ų44.236%0.36422%0.223SC..Hα-helixtrans-61.9-36.9-175.1-71-12.5000112.7K86 R92 S94K86-N90 VanDerWaalsContact O-CB 3.29Å; K86-N90 WeakPolarHBondContact O-CB 3.37Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 2.95Å; N90-R92 PolarHBondContact O-N 2.65Å; N90-R92 VanDerWaalsContact O-N 3.09Å; N90-S94 WeakPolarHBondContact O-CB 3.34Å; N90-S94 PolarHBondContact O-N 2.94Å; N90-S94 VanDerWaalsContact O-N 3.12Å; N90-S94 PolarHBondContact O-OG 3.14Å
91S93.4Very high92.4Very high18 Ų1846.5 Ų46.513%0.12624%0.235CC..Hα-helixtrans-61.6-19.9178.6670000114A63 E87 I88 Y89 T95A63-S91 PolarHBondContact N-OG 3.16Å; E87-S91 WeakPolarHBondContact O-CB 3.23Å; E87-S91 PolarHBondContact O-N 3.27Å; E87-S91 PolarHBondContact O-OG 3.41Å; I88-S91 PolarHBondContact O-OG 2.91Å; Y89-S91 VanDerWaalsContact C-N 3.3Å; Y89-S91 PolarHBondContact O-N 2.9Å; S91-T95 WeakPolarHBondContact O-CG2 3.29Å; S91-T95 PolarHBondContact O-OG1 3.09Å
92R96.2Very high93.3Very high24 Ų2445.2 Ų45.29%0.09123%0.227CC..Hα-helixtrans-106-52.4-179.9-72.3170.5172.570.34.6111.8A63 I88 Y89 N90 T95 T96 W150A63-R92 PolarHBondContact O-NH1 3.31Å; A63-R92 PolarHBondContact O-NH2 2.84Å; I88-R92 PolarHBondContact O-NH1 3.01Å; Y89-R92 PolarHBondContact O-N 3.4Å; N90-R92 PolarHBondContact O-N 2.65Å; N90-R92 VanDerWaalsContact O-N 3.09Å; R92-T95 PolarHBondContact O-OG1 3.27Å; R92-T95 VanDerWaalsContact O-OG1 3.1Å; R92-T96 WeakPolarHBondContact O-CB 3.37Å; R92-T96 PolarHBondContact O-N 2.62Å; R92-T96 VanDerWaalsContact O-N 3.07Å; R92-T96 PolarHBondContact O-OG1 3.47Å; R92-W150 HydrophobicContact CB-CD2 3.8Å; R92-W150 HydrophobicContact CB-CE3 4.37Å; R92-W150 HydrophobicContact CB-CG 4.03Å; R92-W150 HydrophobicContact CB-CZ2 4.11Å; R92-W150 HydrophobicContact CG-CD2 4.02Å; R92-W150 HydrophobicContact CG-CE3 4.16Å; R92-W150 HydrophobicContact CG-CH2 3.9Å; R92-W150 HydrophobicContact CG-CZ2 3.72Å; R92-W150 HydrophobicContact CG-CZ3 4.12Å
93I97.3Very high94Very high18 Ų1841.3 Ų41.39%0.09220%0.199CC..Hα-helixtrans-74-48.8-171.5-77.853.7000109.9Y89 T95 T96 K97 L146 D149 W150 A153Y89-I93 HydrophobicContact CD1-CB 4.07Å; Y89-I93 HydrophobicContact CD1-CG1 4.19Å; Y89-I93 HydrophobicContact CD1-CG2 4.48Å; Y89-I93 HydrophobicContact CD2-CD1 4.35Å; Y89-I93 HydrophobicContact CD2-CG1 4.41Å; Y89-I93 HydrophobicContact CE1-CB 3.77Å; Y89-I93 HydrophobicContact CE1-CG1 3.81Å; Y89-I93 HydrophobicContact CE1-CG2 3.76Å; Y89-I93 HydrophobicContact CE2-CD1 4.36Å; Y89-I93 HydrophobicContact CE2-CG1 4.06Å; Y89-I93 HydrophobicContact CG-CD1 4.49Å; Y89-I93 HydrophobicContact CG-CG1 4.48Å; Y89-I93 WeakPolarHBondContact O-CD1 3.31Å; Y89-I93 PolarHBondContact O-N 3.4Å; I93-T95 PolarHBondContact O-N 2.78Å; I93-T96 PolarHBondContact O-N 3.44Å; I93-K97 VanDerWaalsContact O-CB 3.25Å; I93-K97 WeakPolarHBondContact O-CB 3.37Å; I93-K97 PolarHBondContact O-N 2.95Å; I93-L146 HydrophobicContact CD1-CD1 3.7Å; I93-D149 HydrophobicContact CG1-CB 4.13Å; I93-W150 HydrophobicContact CD1-CB 3.66Å; I93-W150 HydrophobicContact CD1-CG 4.07Å; I93-A153 HydrophobicContact CB-CB 4.46Å; I93-A153 HydrophobicContact CG1-CB 4.49Å; I93-A153 HydrophobicContact CG2-CB 4.04Å
94S96.6Very high94.5Very high62 Ų6240.4 Ų40.443%0.43420%0.195SC..Hα-helixtrans-64.9-40.4-178.1-48.40000112.1N90 L98N90-S94 WeakPolarHBondContact O-CB 3.34Å; N90-S94 PolarHBondContact O-N 2.94Å; N90-S94 VanDerWaalsContact O-N 3.12Å; N90-S94 PolarHBondContact O-OG 3.14Å; S94-L98 WeakPolarHBondContact O-CB 3.37Å; S94-L98 PolarHBondContact O-N 3.27Å
95T96.9Very high95Very high17 Ų1748 Ų4810%0.10423%0.228CC..Hα-helixtrans-68.7-39178.657.40000112W42 N59 A61 S91 R92 I93 L99W42-T95 HydrophobicContact CD2-CG2 3.93Å; W42-T95 HydrophobicContact CE3-CG2 4.14Å; W42-T95 HydrophobicContact CH2-CG2 3.98Å; W42-T95 HydrophobicContact CZ2-CG2 3.75Å; W42-T95 HydrophobicContact CZ3-CG2 4.15Å; N59-T95 PolarHBondContact ND2-OG1 3.2Å; A61-T95 HydrophobicContact CB-CG2 4.25Å; S91-T95 WeakPolarHBondContact O-CG2 3.29Å; S91-T95 PolarHBondContact O-OG1 3.09Å; R92-T95 PolarHBondContact O-OG1 3.27Å; R92-T95 VanDerWaalsContact O-OG1 3.1Å; I93-T95 PolarHBondContact O-N 2.78Å; T95-L99 WeakPolarHBondContact O-CG 3.26Å; T95-L99 PolarHBondContact O-N 2.75Å
96T98.2Very high95.2Very high0 Ų046.9 Ų46.90%023%0.226CC..Hα-helixtrans-69.9-43.7177.6-56.40000111.4N59 R92 I93 L98 L99 A100 F113 T115 W150 A153N59-T96 PolarHBondContact ND2-N 2.8Å; N59-T96 PolarHBondContact ND2-OG1 2.74Å; R92-T96 WeakPolarHBondContact O-CB 3.37Å; R92-T96 PolarHBondContact O-N 2.62Å; R92-T96 VanDerWaalsContact O-N 3.07Å; R92-T96 PolarHBondContact O-OG1 3.47Å; I93-T96 PolarHBondContact O-N 3.44Å; T96-L98 PolarHBondContact O-N 3.5Å; T96-L99 PolarHBondContact O-N 3.47Å; T96-A100 PolarHBondContact O-N 2.87Å; T96-F113 HydrophobicContact CG2-CZ 4.31Å; T96-T115 HydrophobicContact CG2-CG2 3.83Å; T96-W150 VanDerWaalsContact OG1-CD1 3.29Å; T96-W150 PolarHBondContact OG1-NE1 3.33Å; T96-A153 HydrophobicContact CG2-CB 4.3Å
97K97.9Very high95Very high113 Ų11345 Ų4549%0.49123%0.226SC..Hα-helixtrans-60-46.1176.8-171.1178.2-177.2-173.30111.9I93 L99 A100 E101 A153I93-K97 VanDerWaalsContact O-CB 3.25Å; I93-K97 WeakPolarHBondContact O-CB 3.37Å; I93-K97 PolarHBondContact O-N 2.95Å; K97-L99 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 2.95Å; K97-A100 WeakPolarHBondContact O-CB 3.48Å; K97-A100 PolarHBondContact O-N 3.19Å; K97-A100 VanDerWaalsContact O-N 3.16Å; K97-E101 WeakPolarHBondContact CE-OE1 3.47Å; K97-E101 HydrophobicContact CG-CG 4.42Å; K97-E101 IonicContact NZ-OE1 2.75Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 3.31Å; K97-A153 WeakPolarHBondContact CA-O 3.39Å; K97-A153 HydrophobicContact CB-CB 4.34Å
98L97.8Very high94.9Very high32 Ų3250.6 Ų50.617%0.16826%0.257CS..Hα-helixtrans-55.9-46.3176-179.9162.1000111.7W42 I45 A46 S94 T96 E101 V102W42-L98 HydrophobicContact CB-CD1 4.23Å; W42-L98 HydrophobicContact CE3-CD1 4.46Å; W42-L98 HydrophobicContact CE3-CD2 4.25Å; I45-L98 HydrophobicContact CB-CD2 4.43Å; I45-L98 HydrophobicContact CG2-CD2 3.91Å; A46-L98 HydrophobicContact CB-CD1 4.01Å; A46-L98 HydrophobicContact CB-CG 4.28Å; S94-L98 WeakPolarHBondContact O-CB 3.37Å; S94-L98 PolarHBondContact O-N 3.27Å; T96-L98 PolarHBondContact O-N 3.5Å; L98-E101 PolarHBondContact O-N 2.96Å; L98-V102 HydrophobicContact CD2-CG2 4.22Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.17Å; L98-V102 PolarHBondContact O-N 3.28Å
99L97.9Very high95Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-66.5-38.3178.8-69.2171.9000112.3L4 W42 I45 V57 N59 T95 T96 K97 V102 L103 F113L4-L99 HydrophobicContact CD2-CD2 3.53Å; W42-L99 HydrophobicContact CH2-CD1 4.15Å; W42-L99 HydrophobicContact CZ3-CD1 3.8Å; W42-L99 HydrophobicContact CZ3-CD2 4.22Å; W42-L99 HydrophobicContact CZ3-CG 3.88Å; I45-L99 HydrophobicContact CG2-CD2 4.12Å; V57-L99 HydrophobicContact CG1-CD1 3.97Å; V57-L99 HydrophobicContact CG1-CD2 4.11Å; V57-L99 HydrophobicContact CG1-CG 4.44Å; N59-L99 HydrophobicContact CB-CD1 3.73Å; T95-L99 WeakPolarHBondContact O-CG 3.26Å; T95-L99 PolarHBondContact O-N 2.75Å; T96-L99 PolarHBondContact O-N 3.47Å; K97-L99 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 2.95Å; L99-V102 PolarHBondContact O-N 3.32Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 WeakPolarHBondContact O-CG 3.4Å; L99-L103 PolarHBondContact O-N 3.4Å; L99-F113 HydrophobicContact CB-CE2 3.91Å; L99-F113 HydrophobicContact CB-CZ 3.9Å; L99-F113 HydrophobicContact CD1-CE2 4.27Å
100A97.5Very high94.9Very high3 Ų354.3 Ų54.33%0.02528%0.283CS..Hα-helixtrans-63.1-46175.500000111.7T96 K97 V102 L103 Q104 F113 L156T96-A100 PolarHBondContact O-N 2.87Å; K97-A100 WeakPolarHBondContact O-CB 3.48Å; K97-A100 PolarHBondContact O-N 3.19Å; K97-A100 VanDerWaalsContact O-N 3.16Å; A100-V102 VanDerWaalsContact C-N 3.34Å; A100-V102 PolarHBondContact O-N 3.44Å; A100-L103 PolarHBondContact O-N 3.13Å; A100-Q104 WeakPolarHBondContact O-CG 3.11Å; A100-Q104 PolarHBondContact O-N 3.02Å; A100-F113 HydrophobicContact CB-CE1 4.26Å; A100-L156 HydrophobicContact CB-CD2 3.87Å
101E96.9Very high95.1Very high82 Ų8251.2 Ų51.238%0.38327%0.267SS..Hα-helixtrans-62.1-40176.7-72172179.600112.2K97 L98 K105K97-E101 WeakPolarHBondContact CE-OE1 3.47Å; K97-E101 HydrophobicContact CG-CG 4.42Å; K97-E101 IonicContact NZ-OE1 2.75Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 3.31Å; L98-E101 PolarHBondContact O-N 2.96Å; E101-K105 WeakPolarHBondContact O-CG 3.4Å; E101-K105 PolarHBondContact O-N 3.43Å
102V96.6Very high95.2Very high11 Ų1151 Ų517%0.06727%0.265CS..Hα-helixtrans-65.9-41.9175.4165.90000111I45 L50 L98 L99 A100 K105I45-V102 HydrophobicContact CG2-CG1 4.48Å; I45-V102 HydrophobicContact CG2-CG2 4.29Å; L50-V102 HydrophobicContact CD2-CG1 4.1Å; L50-V102 HydrophobicContact CG-CG1 3.74Å; L98-V102 HydrophobicContact CD2-CG2 4.22Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.17Å; L98-V102 PolarHBondContact O-N 3.28Å; L99-V102 PolarHBondContact O-N 3.32Å; A100-V102 VanDerWaalsContact C-N 3.34Å; A100-V102 PolarHBondContact O-N 3.44Å; V102-K105 PolarHBondContact O-N 3.09Å
103L96.7Very high95.3Very high0 Ų049.9 Ų49.90%026%0.261CS..Hα-helixtrans-64.6-43.3176.1-82.7162.5000111.7L50 L99 A100 K105 C106 V111 F113 L156 H162L50-L103 HydrophobicContact CD1-CD2 3.53Å; L50-L103 HydrophobicContact CD1-CG 4.09Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 WeakPolarHBondContact O-CG 3.4Å; L99-L103 PolarHBondContact O-N 3.4Å; A100-L103 PolarHBondContact O-N 3.13Å; L103-K105 PolarHBondContact O-N 2.86Å; L103-C106 WeakPolarHBondContact O-CA 3.25Å; L103-C106 VanDerWaalsContact O-CB 3.24Å; L103-C106 WeakPolarHBondContact O-CB 3.25Å; L103-C106 PolarHBondContact O-N 3.22Å; L103-V111 HydrophobicContact CD2-CB 3.73Å; L103-V111 HydrophobicContact CD2-CG1 3.81Å; L103-V111 HydrophobicContact CD2-CG2 4.2Å; L103-F113 HydrophobicContact CD1-CB 3.59Å; L103-F113 HydrophobicContact CD1-CD1 3.63Å; L103-F113 HydrophobicContact CD1-CD2 3.59Å; L103-F113 HydrophobicContact CD1-CE1 4.11Å; L103-F113 HydrophobicContact CD1-CE2 4.08Å; L103-F113 HydrophobicContact CD1-CG 3.32Å; L103-F113 HydrophobicContact CD1-CZ 4.31Å; L103-L156 HydrophobicContact CB-CD2 3.85Å; L103-L156 HydrophobicContact CD1-CD2 4.13Å; L103-H162 PolarHBondContact O-NE2 3.47Å
104Q95.1Very high95.4Very high95 Ų9549 Ų4944%0.44426%0.256SS..Hα-helixtrans-57.5-27177.8-76.1172.2-22.300113.7A100 C106 N155 L156A100-Q104 WeakPolarHBondContact O-CG 3.11Å; A100-Q104 PolarHBondContact O-N 3.02Å; Q104-C106 VanDerWaalsContact C-N 3.35Å; Q104-N155 PolarHBondContact NE2-O 2.96Å; Q104-L156 PolarHBondContact NE2-O 2.97Å; Q104-L156 VanDerWaalsContact NE2-O 3.15Å
105K93Very high95.4Very high164 Ų16446.1 Ų46.171%0.71324%0.236SC*.THydrogen-bonded Turntrans-81.6-13.4174-63.9170.2-175.2175.80113.1E101 V102 L103 V107E101-K105 WeakPolarHBondContact O-CG 3.4Å; E101-K105 PolarHBondContact O-N 3.43Å; V102-K105 PolarHBondContact O-N 3.09Å; L103-K105 PolarHBondContact O-N 2.86Å; K105-V107 PolarHBondContact O-N 3.02Å
106C91.9Very high95.4Very high24 Ų2445.9 Ų45.916%0.16224%0.235CC..  trans-89.969.5-176.6-163.70000111.8L103 Q104 N108 H162L103-C106 WeakPolarHBondContact O-CA 3.25Å; L103-C106 VanDerWaalsContact O-CB 3.24Å; L103-C106 WeakPolarHBondContact O-CB 3.25Å; L103-C106 PolarHBondContact O-N 3.22Å; Q104-C106 VanDerWaalsContact C-N 3.35Å; C106-N108 PolarHBondContact O-N 3.08Å; C106-H162 PolarHBondContact O-CE1 2.69Å; C106-H162 PolarHBondContact O-NE2 2.78Å
107V86.5Confident95.3Very high101 Ų10146 Ų4661%0.61224%0.235SC*.THydrogen-bonded Turntrans-84-9.5-171.6-62.70000115.5K105 I161K105-V107 PolarHBondContact O-N 3.02Å; V107-I161 VanDerWaalsContact O-CD1 3.29Å; V107-I161 WeakPolarHBondContact O-CD1 3.31Å
108N88.4Confident95.2Very high157 Ų15742.1 Ų42.184%0.8422%0.224SC*.THydrogen-bonded Turntrans-90.1-8.1-170.4-63.8-27.1000114.2C106C106-N108 PolarHBondContact O-N 3.08Å
109R91.8Very high95Very high53 Ų5341.1 Ų41.120%0.222%0.22CC..SBendtrans-159.8139.2-176.359.8-170.3-165.473.71.2112.4P51 A52 C54 V111 H162P51-R109 PolarHBondContact O-NH2 3.12Å; A52-R109 PolarHBondContact O-NE 2.79Å; C54-R109 PolarHBondContact O-NH1 2.84Å; C54-R109 PolarHBondContact O-NH2 2.86Å; R109-V111 VanDerWaalsContact NH1-CG2 3.33Å; R109-H162 PolarHBondContact O-CE1 3.43Å
110P93.5Very high94.7Very high98 Ų9841.9 Ų41.964%0.63623%0.228SC*.  trans-66.3147173.428.6-33.7000110.4
111V96Very high94.6Very high3 Ų341.9 Ų41.92%0.01823%0.227CC..  trans-139.4139.6178.4179.90000106.8L50 V57 L103 R109 H162 R163L50-V111 HydrophobicContact CD1-CG1 4.45Å; L50-V111 HydrophobicContact CD1-CG2 4.42Å; V57-V111 HydrophobicContact CG2-CG1 3.95Å; L103-V111 HydrophobicContact CD2-CB 3.73Å; L103-V111 HydrophobicContact CD2-CG1 3.81Å; L103-V111 HydrophobicContact CD2-CG2 4.2Å; R109-V111 VanDerWaalsContact NH1-CG2 3.33Å; V111-H162 PolarHBondContact N-ND1 2.91Å; V111-H162 VanDerWaalsContact N-ND1 3.16Å; V111-H162 WeakPolarHBondContact O-CA 3.4Å; V111-H162 VanDerWaalsContact O-CB 3.31Å; V111-H162 WeakPolarHBondContact O-CB 3.42Å; V111-R163 PolarHBondContact O-N 3.38Å; V111-R163 VanDerWaalsContact O-N 3.08Å
112T97.2Very high94.4Very high14 Ų1438 Ų389%0.08621%0.209CC..EExtended strand (participates in β ladder)trans-85.5114.9173.8-62.20000109.5V55 G56 V57 I114 R163V55-T112 PolarHBondContact O-N 3.49Å; V55-T112 VanDerWaalsContact O-N 3.12Å; G56-T112 CarbonylContact C-O 3.52Å; G56-T112 VanDerWaalsContact CA-O 3.27Å; G56-T112 WeakPolarHBondContact CA-O 3.3Å; V57-T112 PolarHBondContact N-O 2.8Å; T112-I114 HydrophobicContact CG2-CD1 3.98Å; T112-I114 HydrophobicContact CG2-CG1 3.85Å; T112-R163 CarbonylContact C-O 3.59Å; T112-R163 WeakPolarHBondContact CA-O 3.24Å; T112-R163 PolarHBondContact OG1-NH2 2.65Å
113F97.7Very high94.2Very high0 Ų038.1 Ų38.10%021%0.21CC..EExtended strand (participates in β ladder)trans-104.7110.7178.4-175.6-145.6000111.2V57 T96 L99 A100 L103 T115 L156 R163 R164 V165V57-F113 HydrophobicContact CB-CD2 3.92Å; V57-F113 HydrophobicContact CG1-CD2 3.75Å; V57-F113 HydrophobicContact CG1-CE2 3.86Å; V57-F113 WeakPolarHBondContact O-CA 3.39Å; T96-F113 HydrophobicContact CG2-CZ 4.31Å; L99-F113 HydrophobicContact CB-CE2 3.91Å; L99-F113 HydrophobicContact CB-CZ 3.9Å; L99-F113 HydrophobicContact CD1-CE2 4.27Å; A100-F113 HydrophobicContact CB-CE1 4.26Å; L103-F113 HydrophobicContact CD1-CB 3.59Å; L103-F113 HydrophobicContact CD1-CD1 3.63Å; L103-F113 HydrophobicContact CD1-CD2 3.59Å; L103-F113 HydrophobicContact CD1-CE1 4.11Å; L103-F113 HydrophobicContact CD1-CE2 4.08Å; L103-F113 HydrophobicContact CD1-CG 3.32Å; L103-F113 HydrophobicContact CD1-CZ 4.31Å; F113-T115 HydrophobicContact CD1-CG2 4.14Å; F113-T115 HydrophobicContact CD2-CG2 4.1Å; F113-T115 HydrophobicContact CE1-CG2 3.58Å; F113-T115 HydrophobicContact CE2-CG2 3.52Å; F113-T115 HydrophobicContact CG-CG2 4.41Å; F113-T115 HydrophobicContact CZ-CG2 3.24Å; F113-L156 HydrophobicContact CB-CD1 4.22Å; F113-L156 HydrophobicContact CD1-CD1 3.93Å; F113-L156 HydrophobicContact CD1-CD2 3.91Å; F113-L156 HydrophobicContact CD1-CG 4.06Å; F113-L156 HydrophobicContact CE1-CD2 4.14Å; F113-R163 PolarHBondContact N-O 2.76Å; F113-R164 CarbonylContact O-C 3.49Å; F113-R164 WeakPolarHBondContact O-CA 3.49Å; F113-V165 PolarHBondContact O-N 3.33Å
114I98.5Very high93.8Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-111.2116.9-178.3-53.4163.4000108.9V57 V58 N59 T112 V165 I167 Y214 A217 L218V57-I114 PolarHBondContact O-N 3.49Å; V58-I114 CarbonylContact C-O 3.57Å; V58-I114 WeakPolarHBondContact CA-O 3.29Å; V58-I114 HydrophobicContact CG1-CB 4.35Å; V58-I114 HydrophobicContact CG1-CG2 4.49Å; V58-I114 HydrophobicContact CG2-CB 4.29Å; V58-I114 HydrophobicContact CG2-CD1 4.11Å; N59-I114 PolarHBondContact N-O 3.15Å; T112-I114 HydrophobicContact CG2-CD1 3.98Å; T112-I114 HydrophobicContact CG2-CG1 3.85Å; I114-V165 CarbonylContact C-O 3.59Å; I114-V165 VanDerWaalsContact CA-O 3.3Å; I114-V165 WeakPolarHBondContact CA-O 3.45Å; I114-V165 HydrophobicContact CG1-CB 4.15Å; I114-V165 HydrophobicContact CG1-CG2 4.43Å; I114-V165 HydrophobicContact CG2-CB 4.38Å; I114-I167 HydrophobicContact CG2-CD1 3.63Å; I114-I167 HydrophobicContact CG2-CG1 4.13Å; I114-Y214 HydrophobicContact CG2-CD1 3.65Å; I114-Y214 HydrophobicContact CG2-CE1 3.87Å; I114-A217 HydrophobicContact CD1-CB 3.76Å; I114-A217 HydrophobicContact CG1-CB 4.25Å; I114-L218 HydrophobicContact CD1-CB 3.9Å; I114-L218 HydrophobicContact CD1-CD1 4.36Å
115T97.8Very high93.4Very high1 Ų137.9 Ų37.91%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-112.5140.9178.255.80000111.1T96 F113 V165 I166 I167T96-T115 HydrophobicContact CG2-CG2 3.83Å; F113-T115 HydrophobicContact CD1-CG2 4.14Å; F113-T115 HydrophobicContact CD2-CG2 4.1Å; F113-T115 HydrophobicContact CE1-CG2 3.58Å; F113-T115 HydrophobicContact CE2-CG2 3.52Å; F113-T115 HydrophobicContact CG-CG2 4.41Å; F113-T115 HydrophobicContact CZ-CG2 3.24Å; T115-V165 PolarHBondContact N-O 3.4Å; T115-I166 WeakPolarHBondContact O-CA 3.45Å; T115-I167 PolarHBondContact O-N 3.39Å
116T96.5Very high93Very high12 Ų1235.9 Ų35.97%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-81.1145.9171.9-50.90000110.6N59 L60 W150 I167 N169 Y214N59-T116 WeakPolarHBondContact O-CB 3.41Å; N59-T116 PolarHBondContact O-N 2.8Å; N59-T116 VanDerWaalsContact O-N 3.17Å; N59-T116 PolarHBondContact O-OG1 3.03Å; L60-T116 WeakPolarHBondContact CD2-OG1 3.38Å; T116-W150 HydrophobicContact CG2-CH2 3.88Å; T116-W150 HydrophobicContact CG2-CZ2 4.45Å; T116-W150 VanDerWaalsContact O-CD2 3.29Å; T116-W150 WeakPolarHBondContact O-CZ2 3.44Å; T116-W150 PolarHBondContact O-NE1 3.05Å; T116-I167 CarbonylContact C-O 3.55Å; T116-N169 VanDerWaalsContact CG2-ND2 3.32Å; T116-N169 WeakPolarHBondContact CG2-ND2 3.38Å; T116-Y214 WeakPolarHBondContact CB-OH 3.45Å; T116-Y214 VanDerWaalsContact CG2-OH 3.32Å; T116-Y214 WeakPolarHBondContact CG2-OH 3.36Å; T116-Y214 PolarHBondContact OG1-OH 3.27Å
117S96.1Very high92.8Very high2 Ų239.5 Ų39.51%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-136.7-161.8165.2-175.50000107.4E151 I167 N169S117-E151 VanDerWaalsContact CB-OE1 3.25Å; S117-E151 WeakPolarHBondContact CB-OE1 3.33Å; S117-E151 PolarHBondContact OG-OE1 3.07Å; S117-I167 PolarHBondContact N-O 2.87Å; S117-N169 PolarHBondContact O-N 3.3Å; S117-N169 VanDerWaalsContact O-N 3.16Å
118A95.3Very high93.1Very high32 Ų3239.6 Ų39.626%0.26422%0.222SC..EExtended strand (participates in β ladder)trans-142.4158.317600000112G120 I121 N169A118-G120 PolarHBondContact O-N 2.82Å; A118-G120 VanDerWaalsContact O-N 3.14Å; A118-I121 WeakPolarHBondContact O-CG2 3.17Å; A118-I121 PolarHBondContact O-N 3.23Å; A118-N169 WeakPolarHBondContact CA-O 3.32Å
119V94.6Very high93.5Very high12 Ų1236.2 Ų36.27%0.07320%0.203CC..G310 helixtrans-62.4-14171.5-65.30000113.6I121 Y122 N169 P203 V230 V279V119-I121 PolarHBondContact O-N 3.48Å; V119-Y122 HydrophobicContact CB-CD2 4.24Å; V119-Y122 WeakPolarHBondContact O-CD2 3.32Å; V119-Y122 PolarHBondContact O-N 2.86Å; V119-N169 PolarHBondContact N-O 3.49Å; V119-P203 HydrophobicContact CB-CG 4.5Å; V119-P203 HydrophobicContact CG1-CB 4.46Å; V119-P203 HydrophobicContact CG2-CB 4.11Å; V119-P203 HydrophobicContact CG2-CG 3.69Å; V119-V230 HydrophobicContact CG1-CG1 3.72Å; V119-V279 HydrophobicContact CB-CG2 4.05Å; V119-V279 HydrophobicContact CG1-CB 4.31Å; V119-V279 HydrophobicContact CG1-CG1 4.12Å; V119-V279 HydrophobicContact CG1-CG2 3.93Å
120G92.1Very high93.7Very high16 Ų1633.9 Ų33.917%0.16519%0.194CC..G310 helixtrans-61.8-6.7171.200000114.2A118 Y122 C144A118-G120 PolarHBondContact O-N 2.82Å; A118-G120 VanDerWaalsContact O-N 3.14Å; G120-Y122 VanDerWaalsContact C-N 3.28Å; G120-C144 VanDerWaalsContact O-CA 3.29Å; G120-C144 WeakPolarHBondContact O-CA 3.39Å; G120-C144 PolarHBondContact O-N 2.84Å
121I93.8Very high93.9Very high3 Ų330.2 Ų30.22%0.01517%0.17CC..G310 helixtrans-66.6-30.6166.6-162.4158.6000112.5A118 V119 V136 C147 K148 E151 R168A118-I121 WeakPolarHBondContact O-CG2 3.17Å; A118-I121 PolarHBondContact O-N 3.23Å; V119-I121 PolarHBondContact O-N 3.48Å; I121-V136 HydrophobicContact CD1-CG1 4.17Å; I121-V136 HydrophobicContact CD1-CG2 4.02Å; I121-V136 HydrophobicContact CG1-CB 4.25Å; I121-V136 HydrophobicContact CG1-CG1 3.43Å; I121-V136 VanDerWaalsContact CG1-CG1 3.43Å; I121-V136 HydrophobicContact CG1-CG2 3.84Å; I121-V136 VanDerWaalsContact O-CG1 3.29Å; I121-V136 WeakPolarHBondContact O-CG1 3.36Å; I121-C147 HydrophobicContact CB-CB 3.64Å; I121-C147 HydrophobicContact CD1-CB 4.01Å; I121-C147 HydrophobicContact CG1-CB 3.97Å; I121-K148 HydrophobicContact CD1-CG 4.21Å; I121-K148 HydrophobicContact CG1-CG 4.34Å; I121-E151 WeakPolarHBondContact CD1-OE1 3.49Å; I121-R168 HydrophobicContact CG2-CG 4.44Å
122Y93.6Very high93.9Very high0 Ų030.4 Ų30.40%017%0.171CC..SBendtrans-84135.2179.7-53.3-64.5000109.7V119 G120 Y130 R168 N228 Q277 V279V119-Y122 HydrophobicContact CB-CD2 4.24Å; V119-Y122 WeakPolarHBondContact O-CD2 3.32Å; V119-Y122 PolarHBondContact O-N 2.86Å; G120-Y122 VanDerWaalsContact C-N 3.28Å; Y122-Y130 AromaticContact CD1-CD1 3.75Å; Y122-Y130 HydrophobicContact CD1-CD1 3.75Å; Y122-Y130 HydrophobicContact CD1-CE1 4.48Å; Y122-Y130 AromaticContact CD1-CG 3.96Å; Y122-Y130 HydrophobicContact CD1-CG 3.96Å; Y122-Y130 HydrophobicContact CG-CD1 4.08Å; Y122-Y130 HydrophobicContact CG-CD2 4.41Å; Y122-Y130 AromaticContact CG-CG 3.89Å; Y122-Y130 HydrophobicContact CG-CG 3.89Å; Y122-R168 VanDerWaalsContact OH-CD 3.31Å; Y122-R168 WeakPolarHBondContact OH-CD 3.17Å; Y122-R168 PolarHBondContact OH-NH1 3.14Å; Y122-N228 WeakPolarHBondContact CE2-OD1 3.29Å; Y122-N228 PolarHBondContact OH-ND2 2.92Å; Y122-N228 PolarHBondContact OH-OD1 2.84Å; Y122-Q277 WeakPolarHBondContact O-CG 3.32Å; Y122-Q277 PolarHBondContact O-NE2 3.3Å; Y122-V279 HydrophobicContact CD2-CG1 4.41Å; Y122-V279 HydrophobicContact CD2-CG2 3.9Å; Y122-V279 HydrophobicContact CE2-CG1 3.96Å; Y122-V279 HydrophobicContact CE2-CG2 4.28Å
123P91.4Very high93.8Very high14 Ų1433.1 Ų33.19%0.09119%0.19CC..PPolyproline II helixtrans-59.4142.5173.8-16.827.3000110.7D125 Y130 S137 Y139 Q277P123-D125 PolarHBondContact O-N 3.17Å; P123-Y130 VanDerWaalsContact O-CE2 3.23Å; P123-Y130 WeakPolarHBondContact O-CE2 3.43Å; P123-Y130 PolarHBondContact O-OH 3.22Å; P123-Y130 VanDerWaalsContact O-OH 3.1Å; P123-S137 WeakPolarHBondContact CG-OG 3.33Å; P123-Y139 HydrophobicContact CB-CD1 4.24Å; P123-Y139 HydrophobicContact CB-CD2 4.38Å; P123-Y139 HydrophobicContact CB-CG 3.99Å; P123-Y139 HydrophobicContact CG-CG 4.37Å; P123-Q277 WeakPolarHBondContact O-CG 3.3Å
124P88.9Confident93.6Very high39 Ų3935.1 Ų35.125%0.25320%0.201SC..PPolyproline II helixtrans-60.9127.5170.3-21.432.9000112Y139 K275 G276P124-Y139 VanDerWaalsContact CD-CE1 3.41Å; P124-Y139 HydrophobicContact CG-CE1 4.26Å; P124-K275 HydrophobicContact CB-CB 3.8Å; P124-K275 HydrophobicContact CB-CD 4.24Å; P124-K275 HydrophobicContact CG-CB 4.01Å; P124-K275 HydrophobicContact CG-CD 4.27Å; P124-G276 WeakPolarHBondContact CA-O 3.47Å
125D87.7Confident92.9Very high50 Ų5043.3 Ų43.327%0.26724%0.239SC..EExtended strand (participates in β ladder)trans-155.4122178.9-170.6-33.3000108.7P123 S127 R128 Y130 G276P123-D125 PolarHBondContact O-N 3.17Å; D125-S127 VanDerWaalsContact C-N 3.33Å; D125-S127 WeakPolarHBondContact OD1-CA 3.5Å; D125-S127 WeakPolarHBondContact OD1-CB 3.39Å; D125-S127 PolarHBondContact OD1-N 2.82Å; D125-S127 PolarHBondContact OD1-OG 2.87Å; D125-R128 HydrophobicContact CB-CB 3.91Å; D125-R128 PolarHBondContact OD1-N 3.45Å; D125-R128 VanDerWaalsContact OD2-CB 3.24Å; D125-R128 WeakPolarHBondContact OD2-CB 3.34Å; D125-Y130 HydrophobicContact CB-CE2 4.12Å; D125-G276 PolarHBondContact N-O 3.36Å
126E84.3Confident92.1Very high122 Ų12244.9 Ų44.957%0.5725%0.248SC*.EExtended strand (participates in β ladder)trans-77.4-21.1-179.5-63.6-172.2177.500112.7K278E126-K278 WeakPolarHBondContact O-CE 3.29Å; E126-K278 PolarHBondContact O-NZ 2.93Å
127S87.8Confident90.8Very high100 Ų10047.1 Ų47.170%0.69927%0.265SS*.EExtended strand (participates in β ladder)trans-94.6-37.2-176.471.60000112.3D125D125-S127 VanDerWaalsContact C-N 3.33Å; D125-S127 WeakPolarHBondContact OD1-CA 3.5Å; D125-S127 WeakPolarHBondContact OD1-CB 3.39Å; D125-S127 PolarHBondContact OD1-N 2.82Å; D125-S127 PolarHBondContact OD1-OG 2.87Å
128R93.1Very high89.4Confident103 Ų10352.5 Ų52.539%0.38930%0.302SS..EExtended strand (participates in β ladder)trans-87.1136.5-171.4-172.9171.6-178.6174.42.2112.5D125 Y130 K278D125-R128 HydrophobicContact CB-CB 3.91Å; D125-R128 PolarHBondContact OD1-N 3.45Å; D125-R128 VanDerWaalsContact OD2-CB 3.24Å; D125-R128 WeakPolarHBondContact OD2-CB 3.34Å; R128-Y130 HydrophobicContact CB-CE2 4.36Å; R128-Y130 HydrophobicContact CG-CE1 4.33Å; R128-Y130 HydrophobicContact CG-CE2 4.3Å; R128-K278 WeakPolarHBondContact O-CB 3.39Å
129I96Very high88.4Confident86 Ų8654.3 Ų54.344%0.44130%0.303SS..EExtended strand (participates in β ladder)trans-97.8127168.6-57.5174.2000108.2L234 K278 H280I129-L234 HydrophobicContact CD1-CD1 3.78Å; I129-L234 HydrophobicContact CG1-CD1 4.1Å; I129-L234 HydrophobicContact CG2-CD1 4.34Å; I129-K278 CarbonylContact C-O 3.58Å; I129-K278 WeakPolarHBondContact CA-O 3.26Å; I129-K278 HydrophobicContact CG1-CB 4.1Å; I129-K278 HydrophobicContact CG1-CD 4.24Å; I129-H280 HydrophobicContact CG2-CB 3.79Å
130Y96.4Very high87.6Confident5 Ų561.1 Ų61.12%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-98.6134.3176.4-65.3-82.7000111.3Y122 P123 D125 R128 N134 Q277 K278 V279 H280Y122-Y130 AromaticContact CD1-CD1 3.75Å; Y122-Y130 HydrophobicContact CD1-CD1 3.75Å; Y122-Y130 HydrophobicContact CD1-CE1 4.48Å; Y122-Y130 AromaticContact CD1-CG 3.96Å; Y122-Y130 HydrophobicContact CD1-CG 3.96Å; Y122-Y130 HydrophobicContact CG-CD1 4.08Å; Y122-Y130 HydrophobicContact CG-CD2 4.41Å; Y122-Y130 AromaticContact CG-CG 3.89Å; Y122-Y130 HydrophobicContact CG-CG 3.89Å; P123-Y130 VanDerWaalsContact O-CE2 3.23Å; P123-Y130 WeakPolarHBondContact O-CE2 3.43Å; P123-Y130 PolarHBondContact O-OH 3.22Å; P123-Y130 VanDerWaalsContact O-OH 3.1Å; D125-Y130 HydrophobicContact CB-CE2 4.12Å; R128-Y130 HydrophobicContact CB-CE2 4.36Å; R128-Y130 HydrophobicContact CG-CE1 4.33Å; R128-Y130 HydrophobicContact CG-CE2 4.3Å; Y130-N134 VanDerWaalsContact CA-OD1 3.23Å; Y130-N134 WeakPolarHBondContact CA-OD1 3.18Å; Y130-N134 HydrophobicContact CD1-CB 4.12Å; Y130-Q277 HydrophobicContact CD2-CB 4.18Å; Y130-Q277 HydrophobicContact CE2-CB 4.44Å; Y130-K278 PolarHBondContact N-O 3.45Å; Y130-V279 CarbonylContact O-C 3.46Å; Y130-V279 WeakPolarHBondContact O-CA 3.29Å; Y130-H280 PolarHBondContact O-N 3.47Å
131T97.1Very high87.3Confident20 Ų2062 Ų6212%0.12334%0.34CS..  trans-116.5173166.775.10000109.6S133 N134 H280 E282T131-S133 PolarHBondContact O-N 2.93Å; T131-S133 VanDerWaalsContact O-N 3.11Å; T131-S133 PolarHBondContact OG1-N 3.29Å; T131-N134 PolarHBondContact N-OD1 2.92Å; T131-N134 PolarHBondContact O-N 3.13Å; T131-N134 VanDerWaalsContact O-N 3.1Å; T131-H280 HydrophobicContact CG2-CB 4.3Å; T131-E282 HydrophobicContact CG2-CB 4.04Å
132E96.6Very high87Confident8 Ų864.1 Ų64.14%0.03735%0.349CS..THydrogen-bonded Turntrans-61.6-17.4176.7-60.693.4152.500113.4I226 N228 E282 R283 T284E132-I226 HydrophobicContact CB-CB 4.43Å; E132-I226 HydrophobicContact CB-CG2 4.09Å; E132-I226 HydrophobicContact CG-CG2 3.99Å; E132-N228 HydrophobicContact CG-CB 4.11Å; E132-N228 PolarHBondContact N-ND2 2.94Å; E132-N228 PolarHBondContact OE1-N 2.97Å; E132-E282 PolarHBondContact OE2-N 2.94Å; E132-E282 VanDerWaalsContact OE2-N 3.1Å; E132-R283 HydrophobicContact CB-CB 4.23Å; E132-R283 HydrophobicContact CB-CG 3.94Å; E132-R283 VanDerWaalsContact CD-N 3.34Å; E132-R283 HydrophobicContact CG-CB 4.06Å; E132-R283 HydrophobicContact CG-CG 4.33Å; E132-R283 PolarHBondContact OE1-N 2.94Å; E132-R283 PolarHBondContact OE2-N 3.31Å; E132-T284 PolarHBondContact OE1-N 3.44Å; E132-T284 PolarHBondContact OE1-OG1 2.79Å
133S94.7Very high86.8Confident70 Ų7065.2 Ų65.249%0.4935%0.354SS..THydrogen-bonded Turntrans-85.5-13.3178.6-56.20000113T131T131-S133 PolarHBondContact O-N 2.93Å; T131-S133 VanDerWaalsContact O-N 3.11Å; T131-S133 PolarHBondContact OG1-N 3.29Å
134N93.7Very high86.8Confident43 Ų4364.6 Ų64.623%0.2335%0.349CS..SBendtrans-73134.3-179-71.4121.3000112.2Y130 T131 V136Y130-N134 VanDerWaalsContact CA-OD1 3.23Å; Y130-N134 WeakPolarHBondContact CA-OD1 3.18Å; Y130-N134 HydrophobicContact CD1-CB 4.12Å; T131-N134 PolarHBondContact N-OD1 2.92Å; T131-N134 PolarHBondContact O-N 3.13Å; T131-N134 VanDerWaalsContact O-N 3.1Å; N134-V136 PolarHBondContact O-N 3.27Å
135H83.4Confident86.9Confident171 Ų17164.8 Ų64.879%0.79235%0.352SS*.  trans-61.1129.4171.2-104.6-80.2000111S137H135-S137 PolarHBondContact O-N 3.43Å
136V81.6Confident87.2Confident34 Ų3462.7 Ų62.721%0.20634%0.341CS..  trans-81.4102.1172.9-176.10000107.7I121 N134 K148I121-V136 HydrophobicContact CD1-CG1 4.17Å; I121-V136 HydrophobicContact CD1-CG2 4.02Å; I121-V136 HydrophobicContact CG1-CB 4.25Å; I121-V136 HydrophobicContact CG1-CG1 3.43Å; I121-V136 VanDerWaalsContact CG1-CG1 3.43Å; I121-V136 HydrophobicContact CG1-CG2 3.84Å; I121-V136 VanDerWaalsContact O-CG1 3.29Å; I121-V136 WeakPolarHBondContact O-CG1 3.36Å; N134-V136 PolarHBondContact O-N 3.27Å; V136-K148 HydrophobicContact CG1-CG 4.44Å
137S68.3Low87.7Confident60 Ų6057.1 Ų57.142%0.4232%0.315SS..  trans-67.9163175.856.90000111.7P123 H135 Y139 K148P123-S137 WeakPolarHBondContact CG-OG 3.33Å; H135-S137 PolarHBondContact O-N 3.43Å; S137-Y139 PolarHBondContact O-N 2.89Å; S137-K148 PolarHBondContact O-NZ 2.88Å
138S66.2Low88Confident115 Ų11555.3 Ų55.380%0.80430%0.295SS*.  trans-7070.6168.956.60000110.6D140S138-D140 PolarHBondContact O-N 3.16Å
139Y74.8Confident88.1Confident70 Ų7053.6 Ų53.628%0.27529%0.293SS..  trans-76.5117.7161.8-172.4-125.5000108.2P123 P124 S137 D141 C144P123-Y139 HydrophobicContact CB-CD1 4.24Å; P123-Y139 HydrophobicContact CB-CD2 4.38Å; P123-Y139 HydrophobicContact CB-CG 3.99Å; P123-Y139 HydrophobicContact CG-CG 4.37Å; P124-Y139 VanDerWaalsContact CD-CE1 3.41Å; P124-Y139 HydrophobicContact CG-CE1 4.26Å; S137-Y139 PolarHBondContact O-N 2.89Å; Y139-D141 VanDerWaalsContact C-N 3.26Å; Y139-D141 HydrophobicContact CD1-CB 3.97Å; Y139-D141 WeakPolarHBondContact CD1-OD2 3.45Å; Y139-D141 HydrophobicContact CE1-CB 3.77Å; Y139-D141 WeakPolarHBondContact CE1-OD2 3.36Å; Y139-D141 PolarHBondContact O-N 2.98Å; Y139-C144 HydrophobicContact CD1-CB 4.42Å; Y139-C144 PolarHBondContact O-SG 2.87Å
140D77.5Confident88.1Confident155 Ų15550.1 Ų50.183%0.82928%0.275SS*.  trans-8670.2-173.7-165.118000110.1S138S138-D140 PolarHBondContact O-N 3.16Å
141D86.4Confident88.1Confident34 Ų3451 Ų5118%0.18228%0.279CS..SBendtrans-124.4161.7168.58829.1000110.4Y139 F143 C144 S145Y139-D141 VanDerWaalsContact C-N 3.26Å; Y139-D141 HydrophobicContact CD1-CB 3.97Å; Y139-D141 WeakPolarHBondContact CD1-OD2 3.45Å; Y139-D141 HydrophobicContact CE1-CB 3.77Å; Y139-D141 WeakPolarHBondContact CE1-OD2 3.36Å; Y139-D141 PolarHBondContact O-N 2.98Å; D141-F143 PolarHBondContact O-N 3.36Å; D141-F143 WeakPolarHBondContact OD1-CA 3.41Å; D141-F143 PolarHBondContact OD1-N 3.25Å; D141-C144 WeakPolarHBondContact OD1-CB 3.2Å; D141-C144 PolarHBondContact OD1-N 3.44Å; D141-S145 WeakPolarHBondContact O-CB 3.33Å; D141-S145 PolarHBondContact O-N 2.91Å; D141-S145 VanDerWaalsContact O-N 3.16Å; D141-S145 PolarHBondContact O-OG 3.44Å
142F87.5Confident88.1Confident48 Ų4853 Ų5321%0.21130%0.298CS..Hα-helixtrans-61.9-38.5179.2173.6-97.2000113.5W80 K85 I88 L146W80-F142 HydrophobicContact CH2-CD1 4.07Å; W80-F142 AromaticContact CH2-CE1 3.72Å; W80-F142 HydrophobicContact CH2-CE1 3.72Å; W80-F142 AromaticContact CZ2-CD1 3.57Å; W80-F142 HydrophobicContact CZ2-CD1 3.57Å; W80-F142 AromaticContact CZ2-CE1 3.65Å; W80-F142 HydrophobicContact CZ2-CE1 3.65Å; W80-F142 HydrophobicContact CZ2-CG 4.35Å; W80-F142 HydrophobicContact CZ2-CZ 4.49Å; K85-F142 HydrophobicContact CB-CE2 3.72Å; K85-F142 HydrophobicContact CB-CZ 3.87Å; K85-F142 HydrophobicContact CD-CD2 4.1Å; K85-F142 HydrophobicContact CD-CE2 4.11Å; K85-F142 HydrophobicContact CG-CD2 4.31Å; K85-F142 HydrophobicContact CG-CE2 3.89Å; K85-F142 HydrophobicContact CG-CZ 3.99Å; I88-F142 HydrophobicContact CB-CZ 4.46Å; I88-F142 HydrophobicContact CG2-CE1 4.1Å; I88-F142 HydrophobicContact CG2-CZ 4.17Å; F142-L146 HydrophobicContact CE1-CD2 4.14Å; F142-L146 WeakPolarHBondContact O-CB 3.49Å; F142-L146 PolarHBondContact O-N 3.43Å
143F88.9Confident88.1Confident23 Ų2353.5 Ų53.510%0.10130%0.303CS..Hα-helixtrans-79.2-40.6-172.4-66.9-69.3000113I65 W80 D141 L146 C147 R269 M272I65-F143 HydrophobicContact CD1-CE1 4.28Å; I65-F143 HydrophobicContact CG2-CE1 3.84Å; I65-F143 HydrophobicContact CG2-CZ 4.2Å; W80-F143 AromaticContact CH2-CE1 3.8Å; W80-F143 HydrophobicContact CH2-CE1 3.8Å; W80-F143 AromaticContact CH2-CZ 3.61Å; W80-F143 HydrophobicContact CH2-CZ 3.61Å; W80-F143 HydrophobicContact CZ2-CE1 4.08Å; W80-F143 HydrophobicContact CZ2-CE2 4.27Å; W80-F143 AromaticContact CZ2-CZ 3.58Å; W80-F143 HydrophobicContact CZ2-CZ 3.58Å; D141-F143 PolarHBondContact O-N 3.36Å; D141-F143 WeakPolarHBondContact OD1-CA 3.41Å; D141-F143 PolarHBondContact OD1-N 3.25Å; F143-L146 WeakPolarHBondContact O-CB 3.25Å; F143-L146 PolarHBondContact O-N 2.85Å; F143-C147 WeakPolarHBondContact O-CB 3.47Å; F143-C147 PolarHBondContact O-N 3.03Å; F143-C147 PolarHBondContact O-SG 2.79Å; F143-R269 HydrophobicContact CZ-CG 4.22Å; F143-M272 HydrophobicContact CE1-SD 4.33Å; F143-M272 HydrophobicContact CE2-CB 4.26Å; F143-M272 HydrophobicContact CZ-SD 4.25Å
144C91.2Very high88.3Confident0 Ų050.1 Ų50.10%028%0.28CS..Hα-helixtrans-57.7-50.7169.3175.40000110G120 Y139 D141 L146 C147 K148G120-C144 VanDerWaalsContact O-CA 3.29Å; G120-C144 WeakPolarHBondContact O-CA 3.39Å; G120-C144 PolarHBondContact O-N 2.84Å; Y139-C144 HydrophobicContact CD1-CB 4.42Å; Y139-C144 PolarHBondContact O-SG 2.87Å; D141-C144 WeakPolarHBondContact OD1-CB 3.2Å; D141-C144 PolarHBondContact OD1-N 3.44Å; C144-L146 PolarHBondContact O-N 3.44Å; C144-C147 PolarHBondContact O-N 3.45Å; C144-K148 WeakPolarHBondContact O-CG 3.31Å; C144-K148 PolarHBondContact O-N 2.98Å; C144-K148 VanDerWaalsContact SG-CE 3.51Å; C144-K148 PolarHBondContact SG-NZ 3.41Å; C144-K148 VanDerWaalsContact SG-NZ 3.44Å
145S91.9Very high88.4Confident44 Ų4452.3 Ų52.331%0.30829%0.291SS..Hα-helixtrans-61.4-45176.1-58.10000111.5D141 C147 K148 D149D141-S145 WeakPolarHBondContact O-CB 3.33Å; D141-S145 PolarHBondContact O-N 2.91Å; D141-S145 VanDerWaalsContact O-N 3.16Å; D141-S145 PolarHBondContact O-OG 3.44Å; S145-C147 VanDerWaalsContact C-N 3.34Å; S145-C147 PolarHBondContact O-N 3.39Å; S145-K148 PolarHBondContact O-N 3.43Å; S145-D149 WeakPolarHBondContact O-CB 3.37Å; S145-D149 PolarHBondContact O-N 3.46Å
146L93.3Very high88.9Confident6 Ų644.7 Ų44.73%0.03126%0.256CS..Hα-helixtrans-57.1-45.4174.6175.768.5000111.9I88 Y89 I93 F142 F143 C144 W150I88-L146 HydrophobicContact CG2-CD2 3.59Å; Y89-L146 HydrophobicContact CD2-CD1 3.74Å; Y89-L146 HydrophobicContact CG-CD1 4.28Å; I93-L146 HydrophobicContact CD1-CD1 3.7Å; F142-L146 HydrophobicContact CE1-CD2 4.14Å; F142-L146 WeakPolarHBondContact O-CB 3.49Å; F142-L146 PolarHBondContact O-N 3.43Å; F143-L146 WeakPolarHBondContact O-CB 3.25Å; F143-L146 PolarHBondContact O-N 2.85Å; C144-L146 PolarHBondContact O-N 3.44Å; L146-W150 WeakPolarHBondContact O-CB 3.41Å; L146-W150 PolarHBondContact O-N 3.32Å
147C94.7Very high89.5Confident5 Ų544.5 Ų44.53%0.03426%0.261CS..Hα-helixtrans-67.3-40.8-179.6-66.30000111.7I121 F143 C144 S145 W150 E151I121-C147 HydrophobicContact CB-CB 3.64Å; I121-C147 HydrophobicContact CD1-CB 4.01Å; I121-C147 HydrophobicContact CG1-CB 3.97Å; F143-C147 WeakPolarHBondContact O-CB 3.47Å; F143-C147 PolarHBondContact O-N 3.03Å; F143-C147 PolarHBondContact O-SG 2.79Å; C144-C147 PolarHBondContact O-N 3.45Å; S145-C147 VanDerWaalsContact C-N 3.34Å; S145-C147 PolarHBondContact O-N 3.39Å; C147-W150 PolarHBondContact O-N 3.23Å; C147-E151 WeakPolarHBondContact O-CB 3.45Å; C147-E151 WeakPolarHBondContact O-CG 3.43Å; C147-E151 PolarHBondContact O-N 3.44Å
148K94.3Very high90.5Very high62 Ų6250 Ų5027%0.2729%0.286SS..Hα-helixtrans-60.4-49.5175.4-73.1171.8-179.2170.10111.5I121 V136 S137 C144 S145 W150 E151 A152I121-K148 HydrophobicContact CD1-CG 4.21Å; I121-K148 HydrophobicContact CG1-CG 4.34Å; V136-K148 HydrophobicContact CG1-CG 4.44Å; S137-K148 PolarHBondContact O-NZ 2.88Å; C144-K148 WeakPolarHBondContact O-CG 3.31Å; C144-K148 PolarHBondContact O-N 2.98Å; C144-K148 VanDerWaalsContact SG-CE 3.51Å; C144-K148 PolarHBondContact SG-NZ 3.41Å; C144-K148 VanDerWaalsContact SG-NZ 3.44Å; S145-K148 PolarHBondContact O-N 3.43Å; K148-W150 VanDerWaalsContact C-N 3.3Å; K148-W150 PolarHBondContact O-N 3.29Å; K148-E151 PolarHBondContact O-N 3.28Å; K148-A152 WeakPolarHBondContact O-CB 3.14Å; K148-A152 PolarHBondContact O-N 3.4Å
149D95.6Very high91.6Very high67 Ų6750.1 Ų50.136%0.35829%0.287SS..Hα-helixtrans-65.3-36.8178.6-74.62.4000111.6Y89 I93 S145 A152 A153Y89-D149 HydrophobicContact CE2-CB 3.88Å; Y89-D149 WeakPolarHBondContact CE2-OD2 3.26Å; Y89-D149 PolarHBondContact OH-OD2 3.15Å; I93-D149 HydrophobicContact CG1-CB 4.13Å; S145-D149 WeakPolarHBondContact O-CB 3.37Å; S145-D149 PolarHBondContact O-N 3.46Å; D149-A152 PolarHBondContact O-N 2.75Å; D149-A153 VanDerWaalsContact O-CB 3.29Å; D149-A153 WeakPolarHBondContact O-CB 3.25Å; D149-A153 PolarHBondContact O-N 3.04Å
150W96.5Very high92.5Very high13 Ų1348.5 Ų48.55%0.04929%0.286CS..Hα-helixtrans-65.1-44.2176.5-166.65.8000111.6R92 I93 T96 T116 L146 C147 K148 A153R92-W150 HydrophobicContact CB-CD2 3.8Å; R92-W150 HydrophobicContact CB-CE3 4.37Å; R92-W150 HydrophobicContact CB-CG 4.03Å; R92-W150 HydrophobicContact CB-CZ2 4.11Å; R92-W150 HydrophobicContact CG-CD2 4.02Å; R92-W150 HydrophobicContact CG-CE3 4.16Å; R92-W150 HydrophobicContact CG-CH2 3.9Å; R92-W150 HydrophobicContact CG-CZ2 3.72Å; R92-W150 HydrophobicContact CG-CZ3 4.12Å; I93-W150 HydrophobicContact CD1-CB 3.66Å; I93-W150 HydrophobicContact CD1-CG 4.07Å; T96-W150 VanDerWaalsContact OG1-CD1 3.29Å; T96-W150 PolarHBondContact OG1-NE1 3.33Å; T116-W150 HydrophobicContact CG2-CH2 3.88Å; T116-W150 HydrophobicContact CG2-CZ2 4.45Å; T116-W150 VanDerWaalsContact O-CD2 3.29Å; T116-W150 WeakPolarHBondContact O-CZ2 3.44Å; T116-W150 PolarHBondContact O-NE1 3.05Å; L146-W150 WeakPolarHBondContact O-CB 3.41Å; L146-W150 PolarHBondContact O-N 3.32Å; C147-W150 PolarHBondContact O-N 3.23Å; K148-W150 VanDerWaalsContact C-N 3.3Å; K148-W150 PolarHBondContact O-N 3.29Å; W150-A153 PolarHBondContact O-N 2.92Å
151E96.5Very high93.3Very high22 Ų2245.6 Ų45.610%0.10327%0.269CS..Hα-helixtrans-67.1-36.8173.8-70.2-176.2-161.300111.6S117 I121 C147 K148 G154 R164 I166 R168S117-E151 VanDerWaalsContact CB-OE1 3.25Å; S117-E151 WeakPolarHBondContact CB-OE1 3.33Å; S117-E151 PolarHBondContact OG-OE1 3.07Å; I121-E151 WeakPolarHBondContact CD1-OE1 3.49Å; C147-E151 WeakPolarHBondContact O-CB 3.45Å; C147-E151 WeakPolarHBondContact O-CG 3.43Å; C147-E151 PolarHBondContact O-N 3.44Å; K148-E151 PolarHBondContact O-N 3.28Å; E151-G154 PolarHBondContact O-N 3.07Å; E151-R164 PolarHBondContact O-NH1 3.4Å; E151-R164 PolarHBondContact O-NH2 3.28Å; E151-I166 HydrophobicContact CB-CD1 4.22Å; E151-I166 HydrophobicContact CG-CD1 4.14Å; E151-I166 HydrophobicContact CG-CG2 3.77Å; E151-R168 WeakPolarHBondContact OE1-CG 3.46Å; E151-R168 IonicContact OE1-CZ 3.48Å; E151-R168 IonicContact OE1-NE 3.7Å; E151-R168 PolarHBondContact OE1-NE 2.8Å; E151-R168 IonicContact OE1-NH2 2.91Å; E151-R168 PolarHBondContact OE1-NH2 3.07Å; E151-R168 IonicContact OE2-CZ 3.76Å; E151-R168 IonicContact OE2-NE 3.59Å; E151-R168 IonicContact OE2-NH2 3.28Å; E151-R168 PolarHBondContact OE2-NH2 3.25Å
152A96.3Very high93.7Very high64 Ų6444.7 Ų44.753%0.52926%0.264SS..Hα-helixtrans-66.3-39174.900000112.1K148 D149 G154 N155K148-A152 WeakPolarHBondContact O-CB 3.14Å; K148-A152 PolarHBondContact O-N 3.4Å; D149-A152 PolarHBondContact O-N 2.75Å; A152-G154 PolarHBondContact O-N 3Å; A152-N155 WeakPolarHBondContact O-CB 3.41Å; A152-N155 PolarHBondContact O-N 2.95Å
153A97.7Very high94.1Very high17 Ų1744.3 Ų44.314%0.1426%0.261CS..Hα-helixtrans-62-25-179.300000113.7I93 T96 K97 D149 W150 N155I93-A153 HydrophobicContact CB-CB 4.46Å; I93-A153 HydrophobicContact CG1-CB 4.49Å; I93-A153 HydrophobicContact CG2-CB 4.04Å; T96-A153 HydrophobicContact CG2-CB 4.3Å; K97-A153 WeakPolarHBondContact CA-O 3.39Å; K97-A153 HydrophobicContact CB-CB 4.34Å; D149-A153 VanDerWaalsContact O-CB 3.29Å; D149-A153 WeakPolarHBondContact O-CB 3.25Å; D149-A153 PolarHBondContact O-N 3.04Å; W150-A153 PolarHBondContact O-N 2.92Å; A153-N155 VanDerWaalsContact C-N 3.31Å
154G97Very high94.5Very high0 Ų045.7 Ų45.70%027%0.265CS..THydrogen-bonded Turntrans-87.16.2176.200000114.6E151 A152 L156 R164E151-G154 PolarHBondContact O-N 3.07Å; A152-G154 PolarHBondContact O-N 3Å; G154-L156 PolarHBondContact O-N 2.82Å; G154-R164 VanDerWaalsContact C-NH2 3.27Å; G154-R164 VanDerWaalsContact CA-NH2 3.34Å; G154-R164 PolarHBondContact O-NE 3.44Å; G154-R164 PolarHBondContact O-NH1 3.01Å; G154-R164 PolarHBondContact O-NH2 2.98Å
155N96.1Very high94.8Very high88 Ų8845.7 Ų45.747%0.47127%0.265SS..  trans-64.1127-177.5-168.28.8000111.4Q104 A152 A153 G157 R164Q104-N155 PolarHBondContact NE2-O 2.96Å; A152-N155 WeakPolarHBondContact O-CB 3.41Å; A152-N155 PolarHBondContact O-N 2.95Å; A153-N155 VanDerWaalsContact C-N 3.31Å; N155-G157 PolarHBondContact OD1-N 2.84Å; N155-R164 VanDerWaalsContact CA-NH1 3.29Å
156L95.4Very high95.1Very high11 Ų1144.2 Ų44.26%0.05825%0.254CS..  trans-97.2-11.2177.8-58.7-178.2000112.5A100 L103 Q104 F113 G154 S160 H162 R164A100-L156 HydrophobicContact CB-CD2 3.87Å; L103-L156 HydrophobicContact CB-CD2 3.85Å; L103-L156 HydrophobicContact CD1-CD2 4.13Å; Q104-L156 PolarHBondContact NE2-O 2.97Å; Q104-L156 VanDerWaalsContact NE2-O 3.15Å; F113-L156 HydrophobicContact CB-CD1 4.22Å; F113-L156 HydrophobicContact CD1-CD1 3.93Å; F113-L156 HydrophobicContact CD1-CD2 3.91Å; F113-L156 HydrophobicContact CD1-CG 4.06Å; F113-L156 HydrophobicContact CE1-CD2 4.14Å; G154-L156 PolarHBondContact O-N 2.82Å; L156-S160 WeakPolarHBondContact CB-OG 3.23Å; L156-H162 HydrophobicContact CD1-CB 3.56Å; L156-R164 HydrophobicContact CD1-CB 4.44Å
157G93.4Very high95.3Very high30 Ų3043.9 Ų43.931%0.30925%0.252SS..  trans87.4155.6-173.200000112.8N155 S159 S160N155-G157 PolarHBondContact OD1-N 2.84Å; G157-S159 VanDerWaalsContact C-N 3.25Å; G157-S159 PolarHBondContact O-N 2.82Å; G157-S160 VanDerWaalsContact O-CB 3.29Å; G157-S160 WeakPolarHBondContact O-CB 3.38Å; G157-S160 PolarHBondContact O-N 2.82Å; G157-S160 VanDerWaalsContact O-N 3.15Å
158D88.9Confident95.4Very high176 Ų17644.1 Ų44.194%0.94125%0.252SS*.THydrogen-bonded Turntrans-67.3-24.5-171.9-60.5-29.7000113.7S160D158-S160 VanDerWaalsContact C-N 3.33Å
159S89.4Confident95.6Very high118 Ų11841.8 Ų41.883%0.82524%0.243SC*.THydrogen-bonded Turntrans-89.67.2177.856.70000113.8G157 I161G157-S159 VanDerWaalsContact C-N 3.25Å; G157-S159 PolarHBondContact O-N 2.82Å; S159-I161 PolarHBondContact O-N 3.38Å
160S93.4Very high95.6Very high36 Ų3639.1 Ų39.125%0.25223%0.231SC..  trans-67.9133.7-177.8-167.70000112.1L156 G157 D158 H162L156-S160 WeakPolarHBondContact CB-OG 3.23Å; G157-S160 VanDerWaalsContact O-CB 3.29Å; G157-S160 WeakPolarHBondContact O-CB 3.38Å; G157-S160 PolarHBondContact O-N 2.82Å; G157-S160 VanDerWaalsContact O-N 3.15Å; D158-S160 VanDerWaalsContact C-N 3.33Å; S160-H162 PolarHBondContact O-N 2.82Å; S160-H162 PolarHBondContact OG-CD2 3.02Å; S160-H162 PolarHBondContact OG-N 3.2Å
161I94.4Very high95.5Very high93 Ų9340.9 Ų40.948%0.47724%0.241SC..  trans-77.7-7.2171.865.1167.2000113V107 S159V107-I161 VanDerWaalsContact O-CD1 3.29Å; V107-I161 WeakPolarHBondContact O-CD1 3.31Å; S159-I161 PolarHBondContact O-N 3.38Å
162H95.6Very high95.5Very high16 Ų1640.6 Ų40.67%0.07424%0.241CC..SBendtrans-87.5140.9-176.1-59.1-54.7000111L103 C106 R109 V111 L156 S160L103-H162 PolarHBondContact O-NE2 3.47Å; C106-H162 PolarHBondContact O-CE1 2.69Å; C106-H162 PolarHBondContact O-NE2 2.78Å; R109-H162 PolarHBondContact O-CE1 3.43Å; V111-H162 PolarHBondContact N-ND1 2.91Å; V111-H162 VanDerWaalsContact N-ND1 3.16Å; V111-H162 WeakPolarHBondContact O-CA 3.4Å; V111-H162 VanDerWaalsContact O-CB 3.31Å; V111-H162 WeakPolarHBondContact O-CB 3.42Å; L156-H162 HydrophobicContact CD1-CB 3.56Å; S160-H162 PolarHBondContact O-N 2.82Å; S160-H162 PolarHBondContact OG-CD2 3.02Å; S160-H162 PolarHBondContact OG-N 3.2Å
163R95.8Very high95.6Very high39 Ų3937.5 Ų37.515%0.14722%0.216CC..EExtended strand (participates in β ladder)trans-81.6122.6174.4-177.8162.860.479.3-6.4109V111 T112 F113 A217 S220 D221 V223V111-R163 PolarHBondContact O-N 3.38Å; V111-R163 VanDerWaalsContact O-N 3.08Å; T112-R163 CarbonylContact C-O 3.59Å; T112-R163 WeakPolarHBondContact CA-O 3.24Å; T112-R163 PolarHBondContact OG1-NH2 2.65Å; F113-R163 PolarHBondContact N-O 2.76Å; R163-A217 PolarHBondContact NH1-O 2.86Å; R163-A217 PolarHBondContact NH2-O 2.85Å; R163-S220 PolarHBondContact NH1-O 3.35Å; R163-S220 PolarHBondContact NH2-O 2.9Å; R163-D221 IonicContact CZ-OD1 3.56Å; R163-D221 IonicContact NE-OD1 2.76Å; R163-D221 IonicContact NH2-OD1 3.59Å; R163-D221 PolarHBondContact NH2-OD1 3.09Å; R163-D221 VanDerWaalsContact NH2-OD1 3.15Å; R163-V223 WeakPolarHBondContact CD-O 3.36Å; R163-V223 PolarHBondContact NH1-O 2.92Å
164R96.2Very high95.5Very high52 Ų5236.9 Ų36.920%0.19621%0.21CC..EExtended strand (participates in β ladder)trans-105.8132.7179.3-171.3178.8178.2-1600.1111.8F113 E151 G154 N155 L156 S225F113-R164 CarbonylContact O-C 3.49Å; F113-R164 WeakPolarHBondContact O-CA 3.49Å; E151-R164 PolarHBondContact O-NH1 3.4Å; E151-R164 PolarHBondContact O-NH2 3.28Å; G154-R164 VanDerWaalsContact C-NH2 3.27Å; G154-R164 VanDerWaalsContact CA-NH2 3.34Å; G154-R164 PolarHBondContact O-NE 3.44Å; G154-R164 PolarHBondContact O-NH1 3.01Å; G154-R164 PolarHBondContact O-NH2 2.98Å; N155-R164 VanDerWaalsContact CA-NH1 3.29Å; L156-R164 HydrophobicContact CD1-CB 4.44Å; R164-S225 PolarHBondContact O-N 3.4Å
165V97.9Very high95.2Very high0 Ų041.1 Ų41.10%023%0.227CC..EExtended strand (participates in β ladder)trans-129.3135.3172.3-169.20000109.8F113 I114 T115 I167 A217 V223 S225 L227F113-V165 PolarHBondContact O-N 3.33Å; I114-V165 CarbonylContact C-O 3.59Å; I114-V165 VanDerWaalsContact CA-O 3.3Å; I114-V165 WeakPolarHBondContact CA-O 3.45Å; I114-V165 HydrophobicContact CG1-CB 4.15Å; I114-V165 HydrophobicContact CG1-CG2 4.43Å; I114-V165 HydrophobicContact CG2-CB 4.38Å; T115-V165 PolarHBondContact N-O 3.4Å; V165-I167 HydrophobicContact CG1-CG1 4.25Å; V165-A217 HydrophobicContact CB-CB 4.45Å; V165-A217 HydrophobicContact CG1-CB 4.07Å; V165-A217 HydrophobicContact CG2-CB 4.33Å; V165-V223 HydrophobicContact CG1-CG1 4.12Å; V165-V223 HydrophobicContact CG2-CG1 4.28Å; V165-V223 WeakPolarHBondContact CG2-O 3.22Å; V165-S225 CarbonylContact C-O 3.07Å; V165-S225 VanDerWaalsContact CA-O 3.25Å; V165-S225 WeakPolarHBondContact CA-O 3.36Å; V165-L227 HydrophobicContact CG1-CD1 4.19Å; V165-L227 HydrophobicContact CG1-CG 4.2Å
166I98Very high94.7Very high13 Ų1344.3 Ų44.37%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-116.1126.1175.3-56.6174.1000107.8T115 E151 S225 I226 L227T115-I166 WeakPolarHBondContact O-CA 3.45Å; E151-I166 HydrophobicContact CB-CD1 4.22Å; E151-I166 HydrophobicContact CG-CD1 4.14Å; E151-I166 HydrophobicContact CG-CG2 3.77Å; I166-S225 PolarHBondContact N-O 2.86Å; I166-I226 HydrophobicContact CB-CG1 4.19Å; I166-I226 HydrophobicContact CD1-CG1 4.29Å; I166-I226 CarbonylContact O-C 3.55Å; I166-I226 WeakPolarHBondContact O-CA 3.32Å; I166-L227 PolarHBondContact O-N 2.93Å
167I98.4Very high94.4Very high0 Ų044.1 Ų44.10%024%0.239CC..EExtended strand (participates in β ladder)trans-112.7112.1177.9-54.1170.9000109.3I114 T115 T116 S117 V165 N169 I210 I213 Y214 A217 L227I114-I167 HydrophobicContact CG2-CD1 3.63Å; I114-I167 HydrophobicContact CG2-CG1 4.13Å; T115-I167 PolarHBondContact O-N 3.39Å; T116-I167 CarbonylContact C-O 3.55Å; S117-I167 PolarHBondContact N-O 2.87Å; V165-I167 HydrophobicContact CG1-CG1 4.25Å; I167-N169 VanDerWaalsContact CG2-OD1 3.23Å; I167-N169 WeakPolarHBondContact CG2-OD1 3.35Å; I167-N169 PolarHBondContact O-N 3.29Å; I167-N169 PolarHBondContact O-OD1 2.9Å; I167-I210 HydrophobicContact CG2-CD1 3.96Å; I167-I213 HydrophobicContact CD1-CG2 3.89Å; I167-I213 HydrophobicContact CG1-CG2 4.4Å; I167-I213 HydrophobicContact CG2-CG2 4.21Å; I167-Y214 HydrophobicContact CB-CE1 4.36Å; I167-Y214 HydrophobicContact CD1-CD1 3.45Å; I167-Y214 VanDerWaalsContact CD1-CD1 3.45Å; I167-Y214 HydrophobicContact CD1-CD2 4.47Å; I167-Y214 HydrophobicContact CD1-CE1 3.56Å; I167-Y214 HydrophobicContact CD1-CG 3.91Å; I167-Y214 HydrophobicContact CG1-CE1 4.4Å; I167-A217 HydrophobicContact CD1-CB 4.48Å; I167-L227 CarbonylContact C-O 3.54Å; I167-L227 WeakPolarHBondContact CA-O 3.49Å; I167-L227 HydrophobicContact CG1-CB 4.31Å
168R97.7Very high94.1Very high9 Ų944.2 Ų44.23%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-86.495.2178-70.2170.9176.2173.22.9109.4I121 Y122 E151 I226 L227 G229I121-R168 HydrophobicContact CG2-CG 4.44Å; Y122-R168 VanDerWaalsContact OH-CD 3.31Å; Y122-R168 WeakPolarHBondContact OH-CD 3.17Å; Y122-R168 PolarHBondContact OH-NH1 3.14Å; E151-R168 WeakPolarHBondContact OE1-CG 3.46Å; E151-R168 IonicContact OE1-CZ 3.48Å; E151-R168 IonicContact OE1-NE 3.7Å; E151-R168 PolarHBondContact OE1-NE 2.8Å; E151-R168 IonicContact OE1-NH2 2.91Å; E151-R168 PolarHBondContact OE1-NH2 3.07Å; E151-R168 IonicContact OE2-CZ 3.76Å; E151-R168 IonicContact OE2-NE 3.59Å; E151-R168 IonicContact OE2-NH2 3.28Å; E151-R168 PolarHBondContact OE2-NH2 3.25Å; R168-I226 HydrophobicContact CG-CG2 4.29Å; R168-L227 PolarHBondContact N-O 2.58Å; R168-G229 PolarHBondContact O-N 3.3Å
169N96.7Very high94.1Very high13 Ų1338.1 Ų38.17%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-75.2139-172.9-65.5-5.8000112.1T116 S117 A118 V119 I167 I210 Y214T116-N169 VanDerWaalsContact CG2-ND2 3.32Å; T116-N169 WeakPolarHBondContact CG2-ND2 3.38Å; S117-N169 PolarHBondContact O-N 3.3Å; S117-N169 VanDerWaalsContact O-N 3.16Å; A118-N169 WeakPolarHBondContact CA-O 3.32Å; V119-N169 PolarHBondContact N-O 3.49Å; I167-N169 VanDerWaalsContact CG2-OD1 3.23Å; I167-N169 WeakPolarHBondContact CG2-OD1 3.35Å; I167-N169 PolarHBondContact O-N 3.29Å; I167-N169 PolarHBondContact O-OD1 2.9Å; N169-I210 WeakPolarHBondContact OD1-CD1 3.25Å; N169-Y214 PolarHBondContact ND2-OH 3.04Å
170G96.2Very high94.3Very high11 Ų1132.5 Ų32.511%0.11317%0.168CC..  trans-76.7-165.2157.600000112.3V172 P203 G229G170-V172 PolarHBondContact O-N 3.01Å; G170-P203 CarbonylContact C-O 3.6Å; G170-P203 WeakPolarHBondContact CA-O 3.35Å; G170-G229 PolarHBondContact N-O 3.25Å
171I95.1Very high94.1Very high51 Ų5137.8 Ų37.826%0.26219%0.186SC..EExtended strand (participates in β ladder)trans-72110.1174.8-58170.4000108.7L173 I179 F202 P203 W204 I205I171-L173 HydrophobicContact CG2-CD2 3.89Å; I171-L173 PolarHBondContact O-N 3.36Å; I171-I179 HydrophobicContact CG2-CD1 3.54Å; I171-I179 HydrophobicContact CG2-CG1 3.74Å; I171-I179 HydrophobicContact CG2-CG2 4.15Å; I171-F202 HydrophobicContact CB-CZ 4.34Å; I171-F202 HydrophobicContact CD1-CD2 3.73Å; I171-F202 HydrophobicContact CD1-CE1 4.25Å; I171-F202 HydrophobicContact CD1-CE2 3.31Å; I171-F202 HydrophobicContact CD1-CG 4.37Å; I171-F202 HydrophobicContact CD1-CZ 3.61Å; I171-F202 HydrophobicContact CG2-CZ 4.08Å; I171-P203 PolarHBondContact N-O 3.3Å; I171-W204 CarbonylContact O-C 3.59Å; I171-W204 WeakPolarHBondContact O-CA 3.41Å; I171-I205 PolarHBondContact O-N 3.49Å
172V96.5Very high93.8Very high15 Ų1536.7 Ų36.79%0.09118%0.179CC..EExtended strand (participates in β ladder)trans-77.9118.1-180-174.20000110.5F11 I12 G170 I205 L207 I210F11-V172 HydrophobicContact CD1-CG1 4.49Å; F11-V172 HydrophobicContact CE1-CB 4.23Å; F11-V172 HydrophobicContact CE1-CG1 3.8Å; I12-V172 HydrophobicContact CD1-CG2 3.83Å; I12-V172 HydrophobicContact CG1-CG1 4.32Å; I12-V172 HydrophobicContact CG1-CG2 4.44Å; G170-V172 PolarHBondContact O-N 3.01Å; V172-I205 CarbonylContact C-O 3.52Å; V172-I205 WeakPolarHBondContact CA-O 3.41Å; V172-I205 HydrophobicContact CB-CG2 4.38Å; V172-I205 HydrophobicContact CG2-CG2 3.83Å; V172-L207 HydrophobicContact CG1-CB 4.21Å; V172-L207 HydrophobicContact CG1-CD1 3.92Å; V172-I210 HydrophobicContact CG1-CG2 3.67Å; V172-I210 HydrophobicContact CG2-CG2 4.11Å
173L97.1Very high93.6Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-98.5126.5-179.9-51.4-175000110.2I171 I179 I180 F202 W204 I205 L207 F240 I296 M300 I303I171-L173 HydrophobicContact CG2-CD2 3.89Å; I171-L173 PolarHBondContact O-N 3.36Å; L173-I179 HydrophobicContact CD2-CD1 3.67Å; L173-I179 HydrophobicContact CD2-CG1 3.84Å; L173-I180 HydrophobicContact CB-CG1 4.29Å; L173-I180 HydrophobicContact CD2-CD1 4.2Å; L173-I180 HydrophobicContact CD2-CG1 4.33Å; L173-F202 HydrophobicContact CD2-CE1 4.34Å; L173-F202 HydrophobicContact CD2-CZ 4.49Å; L173-W204 HydrophobicContact CD1-CB 4.1Å; L173-W204 HydrophobicContact CD1-CD2 4.19Å; L173-W204 HydrophobicContact CD1-CE3 3.65Å; L173-W204 HydrophobicContact CD1-CG 4.4Å; L173-W204 HydrophobicContact CD1-CZ3 4.46Å; L173-W204 HydrophobicContact CG-CB 4.36Å; L173-W204 HydrophobicContact CG-CE3 4.35Å; L173-I205 PolarHBondContact N-O 2.88Å; L173-L207 WeakPolarHBondContact O-CB 3.37Å; L173-L207 PolarHBondContact O-N 3.41Å; L173-F240 HydrophobicContact CD1-CD2 4.24Å; L173-F240 HydrophobicContact CD1-CE2 3.95Å; L173-F240 HydrophobicContact CD2-CE2 4.2Å; L173-I296 HydrophobicContact CD1-CD1 3.7Å; L173-M300 HydrophobicContact CD1-SD 4.19Å; L173-I303 HydrophobicContact CB-CD1 3.53Å
174G96Very high93.5Very high3 Ų339.3 Ų39.33%0.03119%0.192CC..  trans-170146.8173.800000111.8H176 G177 I180G174-H176 PolarHBondContact O-N 3.47Å; G174-G177 PolarHBondContact O-N 3.15Å; G174-G177 VanDerWaalsContact O-O 3.05Å; G174-I180 WeakPolarHBondContact O-CB 3.23Å
175R91.4Very high93.3Very high90 Ų9042.3 Ų42.334%0.3421%0.211SC..THydrogen-bonded Turntrans-52.3-46.4-166.5-169.7175.5-173.1159.24.5115.1I303 V304 G306R175-I303 HydrophobicContact CB-CG2 4.25Å; R175-I303 WeakPolarHBondContact CB-O 3.38Å; R175-I303 VanDerWaalsContact CD-O 3.25Å; R175-I303 WeakPolarHBondContact CD-O 3.47Å; R175-I303 VanDerWaalsContact CG-O 3.31Å; R175-I303 WeakPolarHBondContact CG-O 3.42Å; R175-V304 PolarHBondContact NH1-O 3.17Å; R175-G306 PolarHBondContact NH1-OXT 2.96Å
176H86.5Confident93.1Very high154 Ų15444.8 Ų44.871%0.71323%0.227SC*.THydrogen-bonded Turntrans-10012.7-167.8-58.9-61.4000114.5G174G174-H176 PolarHBondContact O-N 3.47Å
177G87.4Confident92.9Very high8 Ų844.7 Ų44.78%0.08223%0.226CC..SBendtrans-164.2-164.1179.200000113.3F11 G174 K181F11-G177 VanDerWaalsContact CE2-CA 3.42Å; G174-G177 PolarHBondContact O-N 3.15Å; G174-G177 VanDerWaalsContact O-O 3.05Å; G177-K181 PolarHBondContact O-N 3.1Å
178G86.8Confident92.7Very high32 Ų3246.2 Ų46.233%0.3324%0.236SC..THydrogen-bonded Turntrans55-147.3-177.900000112.9
179I89.7Confident92.6Very high47 Ų4751 Ų5124%0.24126%0.262CS..THydrogen-bonded Turntrans-70.7-34.1179.561.2153.5000112.2I171 L173 K181 Q182 I183 F202 F240I171-I179 HydrophobicContact CG2-CD1 3.54Å; I171-I179 HydrophobicContact CG2-CG1 3.74Å; I171-I179 HydrophobicContact CG2-CG2 4.15Å; L173-I179 HydrophobicContact CD2-CD1 3.67Å; L173-I179 HydrophobicContact CD2-CG1 3.84Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 2.9Å; I179-Q182 WeakPolarHBondContact O-CA 3.49Å; I179-Q182 WeakPolarHBondContact O-CB 3.21Å; I179-Q182 PolarHBondContact O-N 3.42Å; I179-I183 WeakPolarHBondContact O-CG1 3.17Å; I179-I183 PolarHBondContact O-N 2.63Å; I179-I183 VanDerWaalsContact O-N 3.16Å; I179-F202 HydrophobicContact CD1-CZ 3.8Å; I179-F240 HydrophobicContact CD1-CE1 4.49Å; I179-F240 HydrophobicContact CD1-CZ 4.16Å
180I92.9Very high92.4Very high0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-58.7-45.7-174.9-64.3-58.8000109.9L173 G174 Q182 I183 Y184 F240 F244 M300 I303L173-I180 HydrophobicContact CB-CG1 4.29Å; L173-I180 HydrophobicContact CD2-CD1 4.2Å; L173-I180 HydrophobicContact CD2-CG1 4.33Å; G174-I180 WeakPolarHBondContact O-CB 3.23Å; I180-Q182 PolarHBondContact O-N 3.44Å; I180-I183 HydrophobicContact CD1-CD1 4.45Å; I180-I183 PolarHBondContact O-N 3.46Å; I180-I183 VanDerWaalsContact O-N 3.14Å; I180-Y184 HydrophobicContact CG2-CD2 4.19Å; I180-Y184 WeakPolarHBondContact O-CA 3.5Å; I180-Y184 WeakPolarHBondContact O-CB 3.19Å; I180-Y184 PolarHBondContact O-N 2.86Å; I180-F240 HydrophobicContact CD1-CE2 4.2Å; I180-F240 HydrophobicContact CD1-CZ 3.99Å; I180-F244 HydrophobicContact CD1-CE1 4.45Å; I180-F244 HydrophobicContact CG2-CZ 4.46Å; I180-M300 HydrophobicContact CD1-CE 3.88Å; I180-M300 HydrophobicContact CD1-SD 4.4Å; I180-I303 HydrophobicContact CG1-CG2 4.43Å; I180-I303 HydrophobicContact CG2-CG2 3.86Å
181K90.6Very high92.3Very high147 Ų14755 Ų5564%0.63928%0.282SS*.Hα-helixtrans-53.6-32.9176.7-176.7177.3179.2-179.70113.3G177 I179G177-K181 PolarHBondContact O-N 3.1Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 2.9Å
182Q87Confident92.1Very high71 Ų7152.8 Ų52.833%0.33227%0.271SS..Hα-helixtrans-81.3-36.3-177-53.4-178.526.600112.3G66 I179 I180G66-Q182 PolarHBondContact O-NE2 3.47Å; G66-Q182 PolarHBondContact O-OE1 2.85Å; I179-Q182 WeakPolarHBondContact O-CA 3.49Å; I179-Q182 WeakPolarHBondContact O-CB 3.21Å; I179-Q182 PolarHBondContact O-N 3.42Å; I180-Q182 PolarHBondContact O-N 3.44Å
183I91.4Very high92Very high45 Ų4552.3 Ų52.323%0.23127%0.269CS..Hα-helixtrans-100.5-9.8-174.464.4168.1000113.5I179 I180 L185 P186 F187 F240 F244I179-I183 WeakPolarHBondContact O-CG1 3.17Å; I179-I183 PolarHBondContact O-N 2.63Å; I179-I183 VanDerWaalsContact O-N 3.16Å; I180-I183 HydrophobicContact CD1-CD1 4.45Å; I180-I183 PolarHBondContact O-N 3.46Å; I180-I183 VanDerWaalsContact O-N 3.14Å; I183-L185 PolarHBondContact O-N 3.42Å; I183-P186 WeakPolarHBondContact O-CD 3.48Å; I183-F187 HydrophobicContact CB-CD2 4.04Å; I183-F187 HydrophobicContact CB-CE2 4.19Å; I183-F187 HydrophobicContact CD1-CD2 4.32Å; I183-F187 HydrophobicContact CD1-CE2 3.99Å; I183-F187 HydrophobicContact CG1-CD2 4.39Å; I183-F187 HydrophobicContact CG1-CE2 4.48Å; I183-F187 VanDerWaalsContact O-CD2 3.28Å; I183-F187 WeakPolarHBondContact O-CD2 3.41Å; I183-F187 PolarHBondContact O-N 2.89Å; I183-F240 HydrophobicContact CD1-CE1 3.82Å; I183-F240 HydrophobicContact CD1-CZ 3.76Å; I183-F244 HydrophobicContact CD1-CD1 4.11Å; I183-F244 HydrophobicContact CD1-CE1 3.92Å; I183-F244 HydrophobicContact CG1-CE1 3.95Å
184Y93.5Very high92Very high64 Ų6452.9 Ų52.925%0.25127%0.273SS..Hα-helixtrans-56.5-50.8-175.4-171.3-88.1000112.1I180 F187 C188 F244 L248I180-Y184 HydrophobicContact CG2-CD2 4.19Å; I180-Y184 WeakPolarHBondContact O-CA 3.5Å; I180-Y184 WeakPolarHBondContact O-CB 3.19Å; I180-Y184 PolarHBondContact O-N 2.86Å; Y184-F187 PolarHBondContact O-N 3.33Å; Y184-C188 VanDerWaalsContact CD1-SG 3.59Å; Y184-C188 WeakPolarHBondContact CE1-SG 3.21Å; Y184-C188 WeakPolarHBondContact O-CB 3.17Å; Y184-C188 PolarHBondContact O-N 3.07Å; Y184-C188 PolarHBondContact O-SG 3.47Å; Y184-C188 VanDerWaalsContact O-SG 3.33Å; Y184-F244 HydrophobicContact CD2-CE2 4.26Å; Y184-F244 AromaticContact CD2-CZ 3.84Å; Y184-F244 HydrophobicContact CD2-CZ 3.84Å; Y184-F244 HydrophobicContact CG-CZ 4.48Å; Y184-L248 HydrophobicContact CE2-CD2 4.32Å
185L93.2Very high91.8Very high115 Ų11554.4 Ų54.460%0.60228%0.28SS*.Hα-helixtrans-63.8-50.5-178.7178.566000112.4I183 F187 C188 L189I183-L185 PolarHBondContact O-N 3.42Å; L185-F187 VanDerWaalsContact C-N 3.27Å; L185-F187 PolarHBondContact O-N 3.35Å; L185-C188 PolarHBondContact O-N 3.28Å; L185-C188 VanDerWaalsContact O-N 3.14Å; L185-L189 HydrophobicContact CD1-CD1 4.09Å; L185-L189 HydrophobicContact CD1-CG 4.15Å; L185-L189 HydrophobicContact CG-CD1 4.07Å; L185-L189 WeakPolarHBondContact O-CG 3.25Å; L185-L189 PolarHBondContact O-N 3.34Å
186P92.7Very high91.8Very high52 Ų5251.1 Ų51.134%0.33827%0.272SS..Hα-helixtrans-50.9-43.9172.2-29.333.2000113.8I183 L189 G190 L191 G192I183-P186 WeakPolarHBondContact O-CD 3.48Å; P186-L189 PolarHBondContact O-N 3.08Å; P186-G190 PolarHBondContact O-N 3.11Å; P186-L191 WeakPolarHBondContact O-CA 3.34Å; P186-L191 WeakPolarHBondContact O-CB 3.36Å; P186-L191 PolarHBondContact O-N 3.5Å; P186-G192 PolarHBondContact O-N 3.04Å
187F95.2Very high92.1Very high12 Ų1246.8 Ų46.85%0.05326%0.259CS..Hα-helixtrans-67.4-41.4177.7-89.2-103.8000112.6I183 Y184 L185 L189 G190 A241 F244 L248 R250 T252I183-F187 HydrophobicContact CB-CD2 4.04Å; I183-F187 HydrophobicContact CB-CE2 4.19Å; I183-F187 HydrophobicContact CD1-CD2 4.32Å; I183-F187 HydrophobicContact CD1-CE2 3.99Å; I183-F187 HydrophobicContact CG1-CD2 4.39Å; I183-F187 HydrophobicContact CG1-CE2 4.48Å; I183-F187 VanDerWaalsContact O-CD2 3.28Å; I183-F187 WeakPolarHBondContact O-CD2 3.41Å; I183-F187 PolarHBondContact O-N 2.89Å; Y184-F187 PolarHBondContact O-N 3.33Å; L185-F187 VanDerWaalsContact C-N 3.27Å; L185-F187 PolarHBondContact O-N 3.35Å; F187-L189 PolarHBondContact O-N 2.99Å; F187-G190 PolarHBondContact O-N 3.26Å; F187-A241 HydrophobicContact CE1-CB 4.3Å; F187-A241 HydrophobicContact CZ-CB 4.11Å; F187-F244 HydrophobicContact CB-CD1 4.03Å; F187-F244 HydrophobicContact CB-CE1 3.71Å; F187-F244 HydrophobicContact CB-CZ 4.16Å; F187-F244 HydrophobicContact CD1-CB 4.04Å; F187-F244 AromaticContact CD1-CD1 3.33Å; F187-F244 HydrophobicContact CD1-CD1 3.33Å; F187-F244 AromaticContact CD1-CE1 3.93Å; F187-F244 HydrophobicContact CD1-CE1 3.93Å; F187-F244 AromaticContact CD1-CG 3.77Å; F187-F244 HydrophobicContact CD1-CG 3.77Å; F187-F244 AromaticContact CD2-CD1 3.9Å; F187-F244 HydrophobicContact CD2-CD1 3.9Å; F187-F244 AromaticContact CD2-CE1 3.89Å; F187-F244 HydrophobicContact CD2-CE1 3.89Å; F187-F244 HydrophobicContact CE1-CB 3.97Å; F187-F244 AromaticContact CE1-CD1 3.64Å; F187-F244 HydrophobicContact CE1-CD1 3.64Å; F187-F244 HydrophobicContact CE1-CG 4.1Å; F187-F244 HydrophobicContact CE2-CD1 4.16Å; F187-F244 HydrophobicContact CE2-CE1 4.48Å; F187-F244 AromaticContact CG-CD1 3.46Å; F187-F244 HydrophobicContact CG-CD1 3.46Å; F187-F244 VanDerWaalsContact CG-CD1 3.46Å; F187-F244 AromaticContact CG-CE1 3.56Å; F187-F244 HydrophobicContact CG-CE1 3.56Å; F187-F244 HydrophobicContact CG-CG 4.26Å; F187-F244 HydrophobicContact CG-CZ 4.45Å; F187-F244 HydrophobicContact CZ-CD1 4.04Å; F187-L248 HydrophobicContact CB-CD1 3.67Å; F187-R250 WeakPolarHBondContact O-CB 3.38Å; F187-R250 WeakPolarHBondContact O-CG 3.38Å; F187-T252 HydrophobicContact CD1-CG2 4.42Å; F187-T252 HydrophobicContact CE1-CG2 4.04Å
188C93.8Very high92.5Very high31 Ų3146.4 Ų46.421%0.20926%0.255CS..Hα-helixtrans-61.4-29.8174.5-74.10000113.1Y184 L185 G190 R250Y184-C188 VanDerWaalsContact CD1-SG 3.59Å; Y184-C188 WeakPolarHBondContact CE1-SG 3.21Å; Y184-C188 WeakPolarHBondContact O-CB 3.17Å; Y184-C188 PolarHBondContact O-N 3.07Å; Y184-C188 PolarHBondContact O-SG 3.47Å; Y184-C188 VanDerWaalsContact O-SG 3.33Å; L185-C188 PolarHBondContact O-N 3.28Å; L185-C188 VanDerWaalsContact O-N 3.14Å; C188-G190 VanDerWaalsContact C-N 3.29Å; C188-R250 WeakPolarHBondContact O-CD 3.49Å; C188-R250 PolarHBondContact O-NE 3.39Å
189L94.7Very high92.9Very high111 Ų11150.2 Ų50.258%0.58126%0.264SS*.THydrogen-bonded Turntrans-840.2176-63.3175.2000113.2L185 P186 F187 L191L185-L189 HydrophobicContact CD1-CD1 4.09Å; L185-L189 HydrophobicContact CD1-CG 4.15Å; L185-L189 HydrophobicContact CG-CD1 4.07Å; L185-L189 WeakPolarHBondContact O-CG 3.25Å; L185-L189 PolarHBondContact O-N 3.34Å; P186-L189 PolarHBondContact O-N 3.08Å; F187-L189 PolarHBondContact O-N 2.99Å; L189-L191 VanDerWaalsContact C-N 3.26Å; L189-L191 HydrophobicContact CB-CD1 4.25Å; L189-L191 HydrophobicContact CB-CG 4.15Å; L189-L191 PolarHBondContact O-N 3.1Å
190G93.8Very high93.1Very high5 Ų548 Ų485%0.05225%0.253CS..THydrogen-bonded Turntrans7415.3-176.900000114.3P186 F187 C188 F254P186-G190 PolarHBondContact O-N 3.11Å; F187-G190 PolarHBondContact O-N 3.26Å; C188-G190 VanDerWaalsContact C-N 3.29Å; G190-F254 WeakPolarHBondContact O-CD2 3.14Å
191L92.8Very high93.3Very high103 Ų10348.3 Ų48.354%0.53926%0.255SS..  trans-96.65177.1-55.2177.7000112.4P186 L189 F254P186-L191 WeakPolarHBondContact O-CA 3.34Å; P186-L191 WeakPolarHBondContact O-CB 3.36Å; P186-L191 PolarHBondContact O-N 3.5Å; L189-L191 VanDerWaalsContact C-N 3.26Å; L189-L191 HydrophobicContact CB-CD1 4.25Å; L189-L191 HydrophobicContact CB-CG 4.15Å; L189-L191 PolarHBondContact O-N 3.1Å; L191-F254 HydrophobicContact CD2-CE2 4.2Å
192G92.2Very high93.5Very high3 Ų342.1 Ų42.13%0.03123%0.228CC..  trans-76.5162.1176.800000112.6P186 T252P186-G192 PolarHBondContact O-N 3.04Å; G192-T252 CarbonylContact O-C 3.59Å; G192-T252 VanDerWaalsContact O-CA 3.23Å; G192-T252 WeakPolarHBondContact O-CA 3.47Å
193G94.2Very high94Very high5 Ų539.3 Ų39.35%0.05222%0.216CC..  trans166.4-173.5170.800000112.3F254G193-F254 CarbonylContact C-O 3.6Å; G193-F254 WeakPolarHBondContact CA-O 3.18Å
194P95.4Very high94.3Very high13 Ų1337.3 Ų37.38%0.08421%0.206CC..  trans-69.9152.2-174.327.8-33000112.3N237 A238 R255 V256P194-N237 VanDerWaalsContact CA-OD1 3.3Å; P194-N237 WeakPolarHBondContact CA-OD1 3.39Å; P194-A238 HydrophobicContact CB-CB 4.26Å; P194-R255 HydrophobicContact CG-CB 4.49Å; P194-R255 HydrophobicContact CG-CG 3.84Å; P194-R255 CarbonylContact O-C 3.55Å; P194-R255 WeakPolarHBondContact O-CA 3.49Å; P194-V256 PolarHBondContact O-N 3.44Å
195L92.9Very high94.5Very high34 Ų3434.2 Ų34.218%0.17819%0.194CC..BIsolated β-bridgetrans-88126.5174.5-56.1-175.2000109.7S197 G198 Q200 N237 V256 L261 L273L195-S197 PolarHBondContact O-N 3.32Å; L195-G198 PolarHBondContact O-N 2.83Å; L195-Q200 PolarHBondContact O-NE2 3.36Å; L195-Q200 PolarHBondContact O-OE1 2.95Å; L195-N237 PolarHBondContact N-OD1 2.73Å; L195-V256 HydrophobicContact CD2-CB 3.84Å; L195-V256 HydrophobicContact CD2-CG1 4.49Å; L195-V256 HydrophobicContact CD2-CG2 3.81Å; L195-L261 HydrophobicContact CB-CD1 4.09Å; L195-L261 HydrophobicContact CD2-CD1 4.49Å; L195-L261 HydrophobicContact CD2-CD2 4.26Å; L195-L273 HydrophobicContact CD1-CB 4.07Å
196A92.3Very high94.7Very high22 Ų2228.9 Ų28.918%0.18217%0.165CC..THydrogen-bonded Turntrans50.9-118.8-177.300000112.3G198 R255 V256 E258 I274A196-G198 VanDerWaalsContact C-N 3.31Å; A196-R255 WeakPolarHBondContact O-CD 3.38Å; A196-V256 PolarHBondContact N-O 3.27Å; A196-E258 HydrophobicContact CB-CB 4.39Å; A196-I274 HydrophobicContact CB-CB 4.16Å; A196-I274 HydrophobicContact CB-CG2 3.74Å
197S92.7Very high95Very high62 Ų6227.2 Ų27.243%0.43415%0.154SC..THydrogen-bonded Turntrans-70.2-29.2177.670.40000112.6L195 Q199 Q200L195-S197 PolarHBondContact O-N 3.32Å; S197-Q199 PolarHBondContact O-N 3.46Å; S197-Q199 PolarHBondContact OG-N 2.93Å; S197-Q199 VanDerWaalsContact OG-N 3.16Å; S197-Q200 PolarHBondContact OG-OE1 2.86Å
198G94.3Very high95.1Very high0 Ų028.8 Ų28.80%016%0.163CC..SBendtrans73.4-4.1-170.900000114.3L195 A196 Q200 T236 N237 A238L195-G198 PolarHBondContact O-N 2.83Å; A196-G198 VanDerWaalsContact C-N 3.31Å; G198-Q200 VanDerWaalsContact N-OE1 3.1Å; G198-T236 WeakPolarHBondContact O-CB 3.45Å; G198-N237 PolarHBondContact O-N 3.28Å; G198-A238 VanDerWaalsContact O-CB 3.31Å; G198-A238 WeakPolarHBondContact O-CB 3.25Å; G198-A238 PolarHBondContact O-N 2.73Å
199Q95.1Very high95.3Very high112 Ų11227.3 Ų27.352%0.52315%0.153SC..  trans-83.7-15.6-176.9-60.6-53.1-51.600112.8S197 T236S197-Q199 PolarHBondContact O-N 3.46Å; S197-Q199 PolarHBondContact OG-N 2.93Å; S197-Q199 VanDerWaalsContact OG-N 3.16Å; Q199-T236 WeakPolarHBondContact O-CG2 3.23Å
200Q94.6Very high95.5Very high2 Ų222 Ų221%0.00913%0.125CC..SBendtrans-59.1137.2179.469-80.820.400110.7L195 S197 G198 T236 N237 L273 I274L195-Q200 PolarHBondContact O-NE2 3.36Å; L195-Q200 PolarHBondContact O-OE1 2.95Å; S197-Q200 PolarHBondContact OG-OE1 2.86Å; G198-Q200 VanDerWaalsContact N-OE1 3.1Å; Q200-T236 WeakPolarHBondContact O-CA 3.38Å; Q200-N237 HydrophobicContact CG-CB 4.15Å; Q200-N237 PolarHBondContact O-N 2.91Å; Q200-L273 PolarHBondContact NE2-O 2.96Å; Q200-L273 VanDerWaalsContact NE2-O 3.11Å; Q200-I274 VanDerWaalsContact CB-O 3.26Å; Q200-I274 WeakPolarHBondContact CB-O 3.46Å; Q200-I274 WeakPolarHBondContact CG-O 3.3Å
201P96.5Very high95.7Very high6 Ų622 Ų224%0.03912%0.124CC..BIsolated β-bridgetrans-55.4143.3173.6-25.433.9000111.4P203 G276 Q277 K278P201-P203 WeakPolarHBondContact O-CD 3.38Å; P201-G276 WeakPolarHBondContact O-CA 3.3Å; P201-Q277 VanDerWaalsContact CB-C 3.42Å; P201-Q277 WeakPolarHBondContact CB-O 3.35Å; P201-K278 HydrophobicContact CB-CG 3.76Å; P201-K278 HydrophobicContact CG-CG 3.64Å
202F96Very high96Very high16 Ų1617.8 Ų17.87%0.0711%0.106CC..  trans-123.482.3-176.9-169.9-97000109.5I171 L173 I179 W204 I235 N237 F240I171-F202 HydrophobicContact CB-CZ 4.34Å; I171-F202 HydrophobicContact CD1-CD2 3.73Å; I171-F202 HydrophobicContact CD1-CE1 4.25Å; I171-F202 HydrophobicContact CD1-CE2 3.31Å; I171-F202 HydrophobicContact CD1-CG 4.37Å; I171-F202 HydrophobicContact CD1-CZ 3.61Å; I171-F202 HydrophobicContact CG2-CZ 4.08Å; L173-F202 HydrophobicContact CD2-CE1 4.34Å; L173-F202 HydrophobicContact CD2-CZ 4.49Å; I179-F202 HydrophobicContact CD1-CZ 3.8Å; F202-W204 HydrophobicContact CD1-CB 3.76Å; F202-W204 HydrophobicContact CD1-CG 4.32Å; F202-W204 HydrophobicContact CE1-CB 3.77Å; F202-W204 VanDerWaalsContact O-CD1 3.26Å; F202-W204 PolarHBondContact O-N 3.27Å; F202-W204 VanDerWaalsContact O-N 3.09Å; F202-I235 HydrophobicContact CB-CG1 4.3Å; F202-I235 HydrophobicContact CD1-CD1 4.23Å; F202-I235 PolarHBondContact N-O 2.89Å; F202-N237 HydrophobicContact CD2-CB 4.32Å; F202-F240 HydrophobicContact CD1-CB 3.92Å; F202-F240 HydrophobicContact CD1-CD2 4.35Å; F202-F240 HydrophobicContact CD1-CG 4.07Å; F202-F240 HydrophobicContact CE1-CB 4.06Å; F202-F240 HydrophobicContact CE1-CD1 4.15Å; F202-F240 AromaticContact CE1-CD2 3.71Å; F202-F240 HydrophobicContact CE1-CD2 3.71Å; F202-F240 HydrophobicContact CE1-CE2 4.21Å; F202-F240 AromaticContact CE1-CG 3.68Å; F202-F240 HydrophobicContact CE1-CG 3.68Å; F202-F240 HydrophobicContact CE2-CD1 4.28Å; F202-F240 HydrophobicContact CG-CB 4.33Å; F202-F240 AromaticContact CZ-CD1 3.91Å; F202-F240 HydrophobicContact CZ-CD1 3.91Å; F202-F240 HydrophobicContact CZ-CD2 4.17Å; F202-F240 HydrophobicContact CZ-CE1 4.12Å; F202-F240 HydrophobicContact CZ-CE2 4.37Å; F202-F240 AromaticContact CZ-CG 3.93Å; F202-F240 HydrophobicContact CZ-CG 3.93Å; F202-F240 HydrophobicContact CZ-CZ 4.35Å
203P96.5Very high96.3Very high13 Ų1317.7 Ų17.78%0.08410%0.104CC..  trans-68109.7179.427.5-33000109.2V119 G170 I171 P201 V230 Q277 V279V119-P203 HydrophobicContact CB-CG 4.5Å; V119-P203 HydrophobicContact CG1-CB 4.46Å; V119-P203 HydrophobicContact CG2-CB 4.11Å; V119-P203 HydrophobicContact CG2-CG 3.69Å; G170-P203 CarbonylContact C-O 3.6Å; G170-P203 WeakPolarHBondContact CA-O 3.35Å; I171-P203 PolarHBondContact N-O 3.3Å; P201-P203 WeakPolarHBondContact O-CD 3.38Å; P203-V230 HydrophobicContact CB-CG1 4.06Å; P203-Q277 WeakPolarHBondContact CD-O 3.23Å; P203-V279 HydrophobicContact CB-CB 4.4Å; P203-V279 HydrophobicContact CB-CG2 4.2Å
204W97.4Very high96.5Very high2 Ų217.4 Ų17.41%0.00810%0.102CC..EExtended strand (participates in β ladder)trans-126.1162.5-170.870.2-79.3000111.1I171 L173 F202 H206 V230 A231 S233 I235 Y293 D295 I296 A299I171-W204 CarbonylContact O-C 3.59Å; I171-W204 WeakPolarHBondContact O-CA 3.41Å; L173-W204 HydrophobicContact CD1-CB 4.1Å; L173-W204 HydrophobicContact CD1-CD2 4.19Å; L173-W204 HydrophobicContact CD1-CE3 3.65Å; L173-W204 HydrophobicContact CD1-CG 4.4Å; L173-W204 HydrophobicContact CD1-CZ3 4.46Å; L173-W204 HydrophobicContact CG-CB 4.36Å; L173-W204 HydrophobicContact CG-CE3 4.35Å; F202-W204 HydrophobicContact CD1-CB 3.76Å; F202-W204 HydrophobicContact CD1-CG 4.32Å; F202-W204 HydrophobicContact CE1-CB 3.77Å; F202-W204 VanDerWaalsContact O-CD1 3.26Å; F202-W204 PolarHBondContact O-N 3.27Å; F202-W204 VanDerWaalsContact O-N 3.09Å; W204-H206 HydrophobicContact CZ3-CB 4.44Å; W204-V230 CarbonylContact O-C 3.59Å; W204-V230 WeakPolarHBondContact O-CA 2.91Å; W204-A231 HydrophobicContact CD2-CB 3.93Å; W204-A231 HydrophobicContact CE3-CB 4.13Å; W204-A231 HydrophobicContact CH2-CB 3.73Å; W204-A231 HydrophobicContact CZ2-CB 3.5Å; W204-A231 VanDerWaalsContact CZ2-CB 3.5Å; W204-A231 HydrophobicContact CZ3-CB 4.03Å; W204-A231 PolarHBondContact O-N 3.24Å; W204-S233 PolarHBondContact NE1-O 3.39Å; W204-I235 VanDerWaalsContact CD1-CD1 3.5Å; W204-I235 HydrophobicContact CG-CD1 4.24Å; W204-Y293 VanDerWaalsContact CH2-O 3.31Å; W204-Y293 WeakPolarHBondContact CH2-O 3.03Å; W204-D295 WeakPolarHBondContact CH2-O 3.14Å; W204-I296 HydrophobicContact CD2-CD1 3.74Å; W204-I296 HydrophobicContact CE3-CD1 3.85Å; W204-I296 HydrophobicContact CG-CD1 4.33Å; W204-I296 HydrophobicContact CH2-CB 4.32Å; W204-I296 HydrophobicContact CH2-CD1 4.16Å; W204-I296 HydrophobicContact CZ2-CB 3.79Å; W204-I296 HydrophobicContact CZ2-CD1 4.05Å; W204-I296 HydrophobicContact CZ3-CD1 4.07Å; W204-A299 HydrophobicContact CE3-CB 4.42Å; W204-A299 HydrophobicContact CH2-CB 3.58Å; W204-A299 HydrophobicContact CZ3-CB 3.34Å
205I98.4Very high96.6Very high0 Ų017.8 Ų17.80%010%0.103CC..EExtended strand (participates in β ladder)trans-152.5145.4168.6-169.3160.4000110.5I171 V172 L173 D209 I210 I213 G229 F291I171-I205 PolarHBondContact O-N 3.49Å; V172-I205 CarbonylContact C-O 3.52Å; V172-I205 WeakPolarHBondContact CA-O 3.41Å; V172-I205 HydrophobicContact CB-CG2 4.38Å; V172-I205 HydrophobicContact CG2-CG2 3.83Å; L173-I205 PolarHBondContact N-O 2.88Å; I205-D209 HydrophobicContact CD1-CB 4.12Å; I205-D209 HydrophobicContact CG1-CB 3.87Å; I205-I210 HydrophobicContact CD1-CB 3.91Å; I205-I210 HydrophobicContact CD1-CD1 3.98Å; I205-I210 HydrophobicContact CG1-CB 4.17Å; I205-I210 HydrophobicContact CG2-CB 3.85Å; I205-I210 HydrophobicContact CG2-CD1 4.4Å; I205-I210 HydrophobicContact CG2-CG1 4.36Å; I205-I210 HydrophobicContact CG2-CG2 4.42Å; I205-I213 HydrophobicContact CD1-CD1 3.46Å; I205-I213 VanDerWaalsContact CD1-CD1 3.46Å; I205-G229 WeakPolarHBondContact CG2-O 3.32Å; I205-F291 HydrophobicContact CD1-CE1 4.08Å
206H98.3Very high96.9Very high2 Ų218 Ų181%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-70.5145.1172.2-168.5-93.2000111.7W204 D208 D209 I210 Y293 A299 Q302 I303W204-H206 HydrophobicContact CZ3-CB 4.44Å; H206-D208 VanDerWaalsContact C-N 3.31Å; H206-D208 IonicContact CE1-OD2 3.47Å; H206-D208 WeakPolarHBondContact ND1-CB 3.4Å; H206-D208 PolarHBondContact ND1-N 2.78Å; H206-D208 VanDerWaalsContact ND1-N 3.13Å; H206-D208 IonicContact ND1-OD2 2.76Å; H206-D208 PolarHBondContact O-N 3.09Å; H206-D209 HydrophobicContact CB-CB 4.31Å; H206-D209 PolarHBondContact O-N 2.66Å; H206-I210 PolarHBondContact O-N 3.29Å; H206-Y293 HydrophobicContact CB-CD2 3.76Å; H206-Y293 HydrophobicContact CB-CG 4.18Å; H206-Y293 AromaticContact CD2-CD2 3.94Å; H206-Y293 AromaticContact CE1-CD2 3.71Å; H206-Y293 AromaticContact CE1-CE2 3.47Å; H206-Y293 VanDerWaalsContact CE1-CE2 3.47Å; H206-Y293 WeakPolarHBondContact CE1-CE2 3.41Å; H206-Y293 AromaticContact CG-CD2 3.32Å; H206-Y293 AromaticContact CG-CE2 3.92Å; H206-Y293 AromaticContact CG-CG 3.88Å; H206-Y293 AromaticContact ND1-CD2 3.17Å; H206-Y293 WeakPolarHBondContact ND1-CD2 3.06Å; H206-Y293 AromaticContact ND1-CE2 3.3Å; H206-Y293 VanDerWaalsContact ND1-CE2 3.3Å; H206-Y293 WeakPolarHBondContact ND1-CE2 3.2Å; H206-A299 HydrophobicContact CB-CB 4.48Å; H206-Q302 PolarHBondContact CE1-OE1 2.84Å; H206-Q302 PolarHBondContact NE2-OE1 3.06Å; H206-I303 WeakPolarHBondContact NE2-CG1 3.31Å
207L98Very high97.1Very high18 Ų1816.9 Ų16.99%0.0949%0.094CC..Hα-helixtrans-55.3-44-179.5178.160.7000112.8F11 I12 V15 V172 L173 D209 I210 V211F11-L207 HydrophobicContact CD1-CD1 4.49Å; F11-L207 HydrophobicContact CD2-CD2 4.36Å; F11-L207 HydrophobicContact CE1-CD1 4.15Å; F11-L207 HydrophobicContact CE2-CD1 4.3Å; F11-L207 HydrophobicContact CE2-CD2 3.61Å; F11-L207 HydrophobicContact CZ-CB 4.47Å; F11-L207 HydrophobicContact CZ-CD1 4.05Å; F11-L207 HydrophobicContact CZ-CD2 3.8Å; F11-L207 HydrophobicContact CZ-CG 4.34Å; I12-L207 HydrophobicContact CG1-CD1 4.27Å; V15-L207 HydrophobicContact CG2-CD2 3.89Å; V15-L207 HydrophobicContact CG2-CG 4.32Å; V172-L207 HydrophobicContact CG1-CB 4.21Å; V172-L207 HydrophobicContact CG1-CD1 3.92Å; L173-L207 WeakPolarHBondContact O-CB 3.37Å; L173-L207 PolarHBondContact O-N 3.41Å; L207-D209 VanDerWaalsContact C-N 3.27Å; L207-D209 PolarHBondContact O-N 2.79Å; L207-I210 HydrophobicContact CD1-CG2 4.41Å; L207-I210 VanDerWaalsContact O-CG2 3.24Å; L207-I210 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 HydrophobicContact CD1-CG2 4.4Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.01Å; L207-V211 VanDerWaalsContact O-N 3.12Å
208D97.7Very high97.3Very high45 Ų4514.7 Ų14.724%0.2418%0.077CC..Hα-helixtrans-65.7-33.9178.2-66.6-13.9000112H206 G212 K292 Y293H206-D208 VanDerWaalsContact C-N 3.31Å; H206-D208 IonicContact CE1-OD2 3.47Å; H206-D208 WeakPolarHBondContact ND1-CB 3.4Å; H206-D208 PolarHBondContact ND1-N 2.78Å; H206-D208 VanDerWaalsContact ND1-N 3.13Å; H206-D208 IonicContact ND1-OD2 2.76Å; H206-D208 PolarHBondContact O-N 3.09Å; D208-G212 PolarHBondContact O-N 3.33Å; D208-K292 HydrophobicContact CB-CD 4.33Å; D208-Y293 HydrophobicContact CB-CE2 4Å
209D98.6Very high97.4Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-74.1-42.9-179.6-83.2-50.4000111.8I205 H206 L207 V211 G212 I213 Y289 F291 K292 Y293I205-D209 HydrophobicContact CD1-CB 4.12Å; I205-D209 HydrophobicContact CG1-CB 3.87Å; H206-D209 HydrophobicContact CB-CB 4.31Å; H206-D209 PolarHBondContact O-N 2.66Å; L207-D209 VanDerWaalsContact C-N 3.27Å; L207-D209 PolarHBondContact O-N 2.79Å; D209-V211 VanDerWaalsContact C-N 3.3Å; D209-V211 PolarHBondContact O-N 2.8Å; D209-G212 CarbonylContact O-C 3.51Å; D209-G212 WeakPolarHBondContact O-CA 3.34Å; D209-G212 PolarHBondContact O-N 3.46Å; D209-G212 VanDerWaalsContact O-N 3.09Å; D209-I213 WeakPolarHBondContact O-CG1 3.34Å; D209-I213 PolarHBondContact O-N 3.01Å; D209-Y289 VanDerWaalsContact CA-OH 3.29Å; D209-Y289 WeakPolarHBondContact CA-OH 3.46Å; D209-Y289 HydrophobicContact CB-CE1 4.5Å; D209-Y289 PolarHBondContact O-OH 2.91Å; D209-Y289 PolarHBondContact OD1-OH 3.21Å; D209-F291 HydrophobicContact CB-CD1 4.09Å; D209-F291 WeakPolarHBondContact OD1-CA 3.44Å; D209-K292 PolarHBondContact OD1-N 3.39Å; D209-K292 PolarHBondContact OD2-N 3.32Å; D209-Y293 PolarHBondContact OD2-N 2.76Å
210I98.6Very high97.4Very high0 Ų014.5 Ų14.50%09%0.085CC..Hα-helixtrans-63.9-40.6176.9-169.465.7000111.2I12 I167 N169 V172 I205 H206 L207 G212 I213 Y214I12-I210 HydrophobicContact CG2-CG2 4.42Å; I167-I210 HydrophobicContact CG2-CD1 3.96Å; N169-I210 WeakPolarHBondContact OD1-CD1 3.25Å; V172-I210 HydrophobicContact CG1-CG2 3.67Å; V172-I210 HydrophobicContact CG2-CG2 4.11Å; I205-I210 HydrophobicContact CD1-CB 3.91Å; I205-I210 HydrophobicContact CD1-CD1 3.98Å; I205-I210 HydrophobicContact CG1-CB 4.17Å; I205-I210 HydrophobicContact CG2-CB 3.85Å; I205-I210 HydrophobicContact CG2-CD1 4.4Å; I205-I210 HydrophobicContact CG2-CG1 4.36Å; I205-I210 HydrophobicContact CG2-CG2 4.42Å; H206-I210 PolarHBondContact O-N 3.29Å; L207-I210 HydrophobicContact CD1-CG2 4.41Å; L207-I210 VanDerWaalsContact O-CG2 3.24Å; L207-I210 WeakPolarHBondContact O-CG2 3.48Å; I210-G212 VanDerWaalsContact C-N 3.3Å; I210-G212 PolarHBondContact O-N 3.3Å; I210-I213 HydrophobicContact CD1-CD1 4.35Å; I210-I213 PolarHBondContact O-N 3.01Å; I210-Y214 HydrophobicContact CD1-CE2 4.16Å; I210-Y214 HydrophobicContact CG1-CD2 4.17Å; I210-Y214 HydrophobicContact CG1-CE2 3.7Å; I210-Y214 WeakPolarHBondContact O-CD2 3.44Å; I210-Y214 PolarHBondContact O-N 3.14Å; I210-Y214 VanDerWaalsContact O-N 3.09Å
211V98.4Very high97.2Very high3 Ų320.5 Ų20.52%0.01812%0.117CC..Hα-helixtrans-63.9-39173.3172.70000111I12 V15 L16 Q19 L207 D209 I213 Y214 M215I12-V211 HydrophobicContact CG2-CG2 3.97Å; V15-V211 HydrophobicContact CB-CG2 3.97Å; V15-V211 HydrophobicContact CG1-CB 4.36Å; V15-V211 HydrophobicContact CG1-CG1 4.24Å; V15-V211 HydrophobicContact CG1-CG2 3.91Å; L16-V211 HydrophobicContact CB-CG1 4.19Å; L16-V211 HydrophobicContact CB-CG2 4.46Å; L16-V211 HydrophobicContact CD1-CG1 4.11Å; Q19-V211 HydrophobicContact CB-CG1 4.19Å; Q19-V211 HydrophobicContact CG-CG1 3.7Å; L207-V211 HydrophobicContact CD1-CG2 4.4Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.01Å; L207-V211 VanDerWaalsContact O-N 3.12Å; D209-V211 VanDerWaalsContact C-N 3.3Å; D209-V211 PolarHBondContact O-N 2.8Å; V211-I213 VanDerWaalsContact C-N 3.31Å; V211-I213 PolarHBondContact O-N 3.16Å; V211-Y214 PolarHBondContact O-N 2.73Å; V211-M215 HydrophobicContact CG1-CG 4.29Å; V211-M215 VanDerWaalsContact O-CG 3.32Å; V211-M215 WeakPolarHBondContact O-CG 3.28Å; V211-M215 PolarHBondContact O-N 3.38Å
212G98.4Very high96.9Very high16 Ų1629.4 Ų29.417%0.16516%0.155CC..Hα-helixtrans-56.7-42.8172.700000112.6D208 D209 I210 M215 H216D208-G212 PolarHBondContact O-N 3.33Å; D209-G212 CarbonylContact O-C 3.51Å; D209-G212 WeakPolarHBondContact O-CA 3.34Å; D209-G212 PolarHBondContact O-N 3.46Å; D209-G212 VanDerWaalsContact O-N 3.09Å; I210-G212 VanDerWaalsContact C-N 3.3Å; I210-G212 PolarHBondContact O-N 3.3Å; G212-M215 PolarHBondContact O-N 2.88Å; G212-H216 WeakPolarHBondContact O-CB 3.32Å; G212-H216 PolarHBondContact O-N 2.92Å
213I98.6Very high96.7Very high0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-64.9-43.5176.8-65.3164.5000111.1I167 I205 D209 I210 V211 M215 H216 A217 L227 T284 Y289 F291I167-I213 HydrophobicContact CD1-CG2 3.89Å; I167-I213 HydrophobicContact CG1-CG2 4.4Å; I167-I213 HydrophobicContact CG2-CG2 4.21Å; I205-I213 HydrophobicContact CD1-CD1 3.46Å; I205-I213 VanDerWaalsContact CD1-CD1 3.46Å; D209-I213 WeakPolarHBondContact O-CG1 3.34Å; D209-I213 PolarHBondContact O-N 3.01Å; I210-I213 HydrophobicContact CD1-CD1 4.35Å; I210-I213 PolarHBondContact O-N 3.01Å; V211-I213 VanDerWaalsContact C-N 3.31Å; V211-I213 PolarHBondContact O-N 3.16Å; I213-M215 VanDerWaalsContact C-N 3.33Å; I213-M215 PolarHBondContact O-N 3.16Å; I213-H216 PolarHBondContact O-N 3.32Å; I213-A217 WeakPolarHBondContact O-CB 3.45Å; I213-A217 PolarHBondContact O-N 3.44Å; I213-L227 HydrophobicContact CG2-CD1 3.84Å; I213-T284 HydrophobicContact CD1-CG2 3.77Å; I213-T284 HydrophobicContact CG1-CG2 3.88Å; I213-T284 HydrophobicContact CG2-CG2 4.26Å; I213-Y289 HydrophobicContact CD1-CD1 4.38Å; I213-Y289 HydrophobicContact CD1-CE1 4.29Å; I213-Y289 HydrophobicContact CG1-CD1 3.69Å; I213-Y289 HydrophobicContact CG1-CD2 4.2Å; I213-Y289 HydrophobicContact CG1-CE1 3.67Å; I213-Y289 HydrophobicContact CG1-CE2 4.19Å; I213-Y289 HydrophobicContact CG1-CG 3.98Å; I213-F291 HydrophobicContact CD1-CE1 4.22Å; I213-F291 HydrophobicContact CD1-CZ 4.28Å
214Y98.5Very high96.3Very high0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-60.4-42.9173.7-76.6-76.2000111.8I12 L16 V58 L60 I114 T116 I167 N169 I210 V211 A217 L218I12-Y214 HydrophobicContact CG2-CD2 4.27Å; I12-Y214 HydrophobicContact CG2-CE2 4.01Å; L16-Y214 HydrophobicContact CD2-CG 4.47Å; V58-Y214 HydrophobicContact CG1-CD1 3.59Å; V58-Y214 HydrophobicContact CG1-CE1 3.92Å; V58-Y214 HydrophobicContact CG1-CG 4.46Å; L60-Y214 HydrophobicContact CD2-CD1 4.17Å; L60-Y214 HydrophobicContact CD2-CD2 4.46Å; L60-Y214 HydrophobicContact CD2-CE1 3.46Å; L60-Y214 VanDerWaalsContact CD2-CE1 3.46Å; L60-Y214 HydrophobicContact CD2-CE2 3.81Å; L60-Y214 WeakPolarHBondContact CD2-OH 3.48Å; I114-Y214 HydrophobicContact CG2-CD1 3.65Å; I114-Y214 HydrophobicContact CG2-CE1 3.87Å; T116-Y214 WeakPolarHBondContact CB-OH 3.45Å; T116-Y214 VanDerWaalsContact CG2-OH 3.32Å; T116-Y214 WeakPolarHBondContact CG2-OH 3.36Å; T116-Y214 PolarHBondContact OG1-OH 3.27Å; I167-Y214 HydrophobicContact CB-CE1 4.36Å; I167-Y214 HydrophobicContact CD1-CD1 3.45Å; I167-Y214 VanDerWaalsContact CD1-CD1 3.45Å; I167-Y214 HydrophobicContact CD1-CD2 4.47Å; I167-Y214 HydrophobicContact CD1-CE1 3.56Å; I167-Y214 HydrophobicContact CD1-CG 3.91Å; I167-Y214 HydrophobicContact CG1-CE1 4.4Å; N169-Y214 PolarHBondContact ND2-OH 3.04Å; I210-Y214 HydrophobicContact CD1-CE2 4.16Å; I210-Y214 HydrophobicContact CG1-CD2 4.17Å; I210-Y214 HydrophobicContact CG1-CE2 3.7Å; I210-Y214 WeakPolarHBondContact O-CD2 3.44Å; I210-Y214 PolarHBondContact O-N 3.14Å; I210-Y214 VanDerWaalsContact O-N 3.09Å; V211-Y214 PolarHBondContact O-N 2.73Å; Y214-A217 PolarHBondContact O-N 3.34Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.37Å; Y214-L218 PolarHBondContact O-N 3.34Å
215M98.1Very high96.1Very high21 Ų2134.1 Ų34.110%0.10319%0.19CC..Hα-helixtrans-65.2-42.5177.4-70.9-61.3-63.800111.6L16 Q19 I20 I23 V211 G212 I213 L218 T219L16-M215 HydrophobicContact CD1-CG 3.89Å; L16-M215 HydrophobicContact CD1-SD 3.54Å; L16-M215 VanDerWaalsContact CD1-SD 3.54Å; Q19-M215 HydrophobicContact CB-CE 4.14Å; Q19-M215 HydrophobicContact CB-CG 3.87Å; Q19-M215 HydrophobicContact CB-SD 3.79Å; Q19-M215 WeakPolarHBondContact O-CE 3.42Å; I20-M215 HydrophobicContact CG1-SD 3.86Å; I23-M215 HydrophobicContact CD1-CE 3.51Å; I23-M215 HydrophobicContact CG1-CE 3.91Å; I23-M215 HydrophobicContact CG2-CE 4.15Å; V211-M215 HydrophobicContact CG1-CG 4.29Å; V211-M215 VanDerWaalsContact O-CG 3.32Å; V211-M215 WeakPolarHBondContact O-CG 3.28Å; V211-M215 PolarHBondContact O-N 3.38Å; G212-M215 PolarHBondContact O-N 2.88Å; I213-M215 VanDerWaalsContact C-N 3.33Å; I213-M215 PolarHBondContact O-N 3.16Å; M215-L218 WeakPolarHBondContact O-CB 3.5Å; M215-L218 PolarHBondContact O-N 2.82Å; M215-L218 VanDerWaalsContact O-N 3.15Å; M215-L218 HydrophobicContact SD-CD2 4.41Å; M215-T219 WeakPolarHBondContact O-CG2 3.13Å; M215-T219 PolarHBondContact O-N 3.22Å; M215-T219 PolarHBondContact O-OG1 2.8Å
216H97.8Very high96Very high37 Ų3735.4 Ų35.417%0.17120%0.197CC..Hα-helixtrans-61.8-45.2176.4-174.963000111.7G212 I213 L218 T219 S220 S287 Y289G212-H216 WeakPolarHBondContact O-CB 3.32Å; G212-H216 PolarHBondContact O-N 2.92Å; I213-H216 PolarHBondContact O-N 3.32Å; H216-L218 VanDerWaalsContact C-N 3.25Å; H216-L218 PolarHBondContact O-N 2.88Å; H216-T219 PolarHBondContact O-N 3.4Å; H216-S220 WeakPolarHBondContact O-CB 3.29Å; H216-S220 PolarHBondContact O-N 2.96Å; H216-S287 PolarHBondContact CD2-OG 3.39Å; H216-S287 VanDerWaalsContact CD2-OG 3.27Å; H216-S287 PolarHBondContact CE1-O 2.82Å; H216-S287 PolarHBondContact NE2-O 3.16Å; H216-S287 PolarHBondContact NE2-OG 3.2Å; H216-S287 VanDerWaalsContact NE2-OG 3.09Å; H216-Y289 HydrophobicContact CB-CD2 3.86Å
217A97.8Very high96Very high0 Ų035.4 Ų35.40%020%0.197CC..Hα-helixtrans-62.3-34.2174.200000112.4I114 R163 V165 I167 I213 Y214 V223I114-A217 HydrophobicContact CD1-CB 3.76Å; I114-A217 HydrophobicContact CG1-CB 4.25Å; R163-A217 PolarHBondContact NH1-O 2.86Å; R163-A217 PolarHBondContact NH2-O 2.85Å; V165-A217 HydrophobicContact CB-CB 4.45Å; V165-A217 HydrophobicContact CG1-CB 4.07Å; V165-A217 HydrophobicContact CG2-CB 4.33Å; I167-A217 HydrophobicContact CD1-CB 4.48Å; I213-A217 WeakPolarHBondContact O-CB 3.45Å; I213-A217 PolarHBondContact O-N 3.44Å; Y214-A217 PolarHBondContact O-N 3.34Å; A217-V223 HydrophobicContact CB-CG1 3.97Å
218L96.7Very high96Very high15 Ų1534.6 Ų34.68%0.07919%0.193CC..Hα-helixtrans-72.8-37.6179.5-177.566.9000112.4V3 I20 I114 Y214 M215 H216V3-L218 HydrophobicContact CG1-CD1 4.23Å; V3-L218 HydrophobicContact CG1-CD2 4.13Å; V3-L218 HydrophobicContact CG2-CD1 4.31Å; V3-L218 HydrophobicContact CG2-CD2 3.95Å; I20-L218 HydrophobicContact CG1-CD2 4.25Å; I114-L218 HydrophobicContact CD1-CB 3.9Å; I114-L218 HydrophobicContact CD1-CD1 4.36Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.37Å; Y214-L218 PolarHBondContact O-N 3.34Å; M215-L218 WeakPolarHBondContact O-CB 3.5Å; M215-L218 PolarHBondContact O-N 2.82Å; M215-L218 VanDerWaalsContact O-N 3.15Å; M215-L218 HydrophobicContact SD-CD2 4.41Å; H216-L218 VanDerWaalsContact C-N 3.25Å; H216-L218 PolarHBondContact O-N 2.88Å
219T95.5Very high96.1Very high83 Ų8332.4 Ų32.451%0.50918%0.181SC..Hα-helixtrans-101.9-16.9-17259.20000114.7I23 M215 H216I23-T219 HydrophobicContact CD1-CG2 3.78Å; M215-T219 WeakPolarHBondContact O-CG2 3.13Å; M215-T219 PolarHBondContact O-N 3.22Å; M215-T219 PolarHBondContact O-OG1 2.8Å; H216-T219 PolarHBondContact O-N 3.4Å
220S95.2Very high96.1Very high25 Ų2532.5 Ų32.518%0.17518%0.181CC..  trans-105.2115.5178.9-179.30000111.3R163 H216 K222 V223R163-S220 PolarHBondContact NH1-O 3.35Å; R163-S220 PolarHBondContact NH2-O 2.9Å; H216-S220 WeakPolarHBondContact O-CB 3.29Å; H216-S220 PolarHBondContact O-N 2.96Å; S220-K222 PolarHBondContact O-N 3.04Å; S220-V223 PolarHBondContact O-N 2.96Å
221D91.1Very high96.1Very high128 Ų12832.6 Ų32.668%0.68418%0.183SC*.THydrogen-bonded Turntrans-70.6-12.5178-64.9-32.1000113.7R163 V223R163-D221 IonicContact CZ-OD1 3.56Å; R163-D221 IonicContact NE-OD1 2.76Å; R163-D221 IonicContact NH2-OD1 3.59Å; R163-D221 PolarHBondContact NH2-OD1 3.09Å; R163-D221 VanDerWaalsContact NH2-OD1 3.15Å; D221-V223 PolarHBondContact O-N 3.19Å
222K89.2Confident96Very high193 Ų19334.1 Ų34.184%0.83919%0.193SC*.THydrogen-bonded Turntrans-75-13.1174.5-62.3-177.4179.7-179.30112.9S220S220-K222 PolarHBondContact O-N 3.04Å
223V92.3Very high96Very high3 Ų335.1 Ų35.12%0.01820%0.197CC..  trans-92.7113.1-176.4-174.50000109.9R163 V165 A217 S220 D221 L227R163-V223 WeakPolarHBondContact CD-O 3.36Å; R163-V223 PolarHBondContact NH1-O 2.92Å; V165-V223 HydrophobicContact CG1-CG1 4.12Å; V165-V223 HydrophobicContact CG2-CG1 4.28Å; V165-V223 WeakPolarHBondContact CG2-O 3.22Å; A217-V223 HydrophobicContact CB-CG1 3.97Å; S220-V223 PolarHBondContact O-N 2.96Å; D221-V223 PolarHBondContact O-N 3.19Å; V223-L227 HydrophobicContact CG1-CD1 3.7Å; V223-L227 HydrophobicContact CG1-CD2 4.45Å; V223-L227 HydrophobicContact CG1-CG 4.33Å
224S88.8Confident95.9Very high73 Ų7338.4 Ų38.451%0.5121%0.214SC..  trans-139.6165.4175.565.50000110.8
225S91.6Very high95.8Very high54 Ų5439.1 Ų39.138%0.37822%0.218SC..EExtended strand (participates in β ladder)trans68.3-142.4177.2-1660000113.2R164 V165 I166 R283R164-S225 PolarHBondContact O-N 3.4Å; V165-S225 CarbonylContact C-O 3.07Å; V165-S225 VanDerWaalsContact CA-O 3.25Å; V165-S225 WeakPolarHBondContact CA-O 3.36Å; I166-S225 PolarHBondContact N-O 2.86Å; S225-R283 PolarHBondContact OG-NH1 3.24Å
226I97Very high95.7Very high27 Ų2739.5 Ų39.514%0.13822%0.221CC..EExtended strand (participates in β ladder)trans-96.3137.1-170.3-61.9155.9000110.6E132 I166 R168 R283E132-I226 HydrophobicContact CB-CB 4.43Å; E132-I226 HydrophobicContact CB-CG2 4.09Å; E132-I226 HydrophobicContact CG-CG2 3.99Å; I166-I226 HydrophobicContact CB-CG1 4.19Å; I166-I226 HydrophobicContact CD1-CG1 4.29Å; I166-I226 CarbonylContact O-C 3.55Å; I166-I226 WeakPolarHBondContact O-CA 3.32Å; R168-I226 HydrophobicContact CG-CG2 4.29Å; I226-R283 WeakPolarHBondContact O-CD 3.11Å
227L98.4Very high95.7Very high3 Ų337.9 Ų37.92%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-124.2137.3169.5-62-172.2000109.9V165 I166 I167 R168 I213 V223 R283 T284V165-L227 HydrophobicContact CG1-CD1 4.19Å; V165-L227 HydrophobicContact CG1-CG 4.2Å; I166-L227 PolarHBondContact O-N 2.93Å; I167-L227 CarbonylContact C-O 3.54Å; I167-L227 WeakPolarHBondContact CA-O 3.49Å; I167-L227 HydrophobicContact CG1-CB 4.31Å; R168-L227 PolarHBondContact N-O 2.58Å; I213-L227 HydrophobicContact CG2-CD1 3.84Å; V223-L227 HydrophobicContact CG1-CD1 3.7Å; V223-L227 HydrophobicContact CG1-CD2 4.45Å; V223-L227 HydrophobicContact CG1-CG 4.33Å; L227-R283 HydrophobicContact CD2-CB 4Å; L227-T284 WeakPolarHBondContact CB-OG1 3.35Å
228N98.5Very high95.6Very high0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-85.5113.7166.4-73.9-31.6000109.8Y122 E132 V230 V279 H280 P281 T284Y122-N228 WeakPolarHBondContact CE2-OD1 3.29Å; Y122-N228 PolarHBondContact OH-ND2 2.92Å; Y122-N228 PolarHBondContact OH-OD1 2.84Å; E132-N228 HydrophobicContact CG-CB 4.11Å; E132-N228 PolarHBondContact N-ND2 2.94Å; E132-N228 PolarHBondContact OE1-N 2.97Å; N228-V230 HydrophobicContact CB-CG2 4.08Å; N228-V230 PolarHBondContact O-N 2.94Å; N228-V279 HydrophobicContact CB-CG1 3.84Å; N228-V279 VanDerWaalsContact CG-CG1 3.44Å; N228-V279 VanDerWaalsContact ND2-CG1 3.3Å; N228-V279 WeakPolarHBondContact ND2-CG1 3.4Å; N228-H280 PolarHBondContact ND2-O 3.04Å; N228-H280 VanDerWaalsContact ND2-O 3.11Å; N228-P281 HydrophobicContact CB-CB 4.43Å; N228-P281 WeakPolarHBondContact O-CB 3.41Å; N228-T284 PolarHBondContact N-OG1 2.83Å; N228-T284 PolarHBondContact O-OG1 2.95Å
229G98.5Very high95.6Very high0 Ų043.1 Ų43.10%024%0.243CC..EExtended strand (participates in β ladder)trans-80.563.8175.100000111.8R168 G170 I205R168-G229 PolarHBondContact O-N 3.3Å; G170-G229 PolarHBondContact N-O 3.25Å; I205-G229 WeakPolarHBondContact CG2-O 3.32Å
230V98.5Very high95.7Very high1 Ų139.5 Ų39.51%0.00622%0.22CC..SBendtrans-130.9150.1178.4-61.40000110.4V119 P203 W204 N228 V279 P281 F291V119-V230 HydrophobicContact CG1-CG1 3.72Å; P203-V230 HydrophobicContact CB-CG1 4.06Å; W204-V230 CarbonylContact O-C 3.59Å; W204-V230 WeakPolarHBondContact O-CA 2.91Å; N228-V230 HydrophobicContact CB-CG2 4.08Å; N228-V230 PolarHBondContact O-N 2.94Å; V230-V279 HydrophobicContact CG1-CB 4.25Å; V230-V279 HydrophobicContact CG1-CG1 4.26Å; V230-V279 HydrophobicContact CG2-CB 4.15Å; V230-V279 HydrophobicContact CG2-CG1 3.92Å; V230-V279 WeakPolarHBondContact CG2-O 3.3Å; V230-P281 HydrophobicContact CG2-CB 3.84Å; V230-P281 HydrophobicContact CG2-CG 4.12Å; V230-P281 WeakPolarHBondContact O-CB 3.35Å; V230-P281 WeakPolarHBondContact O-CG 3.34Å; V230-F291 VanDerWaalsContact O-CE1 3.26Å; V230-F291 WeakPolarHBondContact O-CE1 3.24Å; V230-F291 VanDerWaalsContact O-CZ 3.25Å; V230-F291 WeakPolarHBondContact O-CZ 3.27Å
231A98.5Very high95.8Very high3 Ų338.3 Ų38.33%0.02521%0.212CC..  trans-65.1150168.500000110.1W204 S233W204-A231 HydrophobicContact CD2-CB 3.93Å; W204-A231 HydrophobicContact CE3-CB 4.13Å; W204-A231 HydrophobicContact CH2-CB 3.73Å; W204-A231 HydrophobicContact CZ2-CB 3.5Å; W204-A231 VanDerWaalsContact CZ2-CB 3.5Å; W204-A231 HydrophobicContact CZ3-CB 4.03Å; W204-A231 PolarHBondContact O-N 3.24Å; A231-S233 VanDerWaalsContact C-N 3.25Å; A231-S233 PolarHBondContact O-N 2.85Å
232P97.9Very high96.1Very high35 Ų3539.3 Ų39.323%0.22721%0.21CC..SBendtrans-69.3-21.8-178.627.7-35.6000113.5L234 P281 L285 F291 P294P232-L234 PolarHBondContact O-N 3.12Å; P232-P281 HydrophobicContact CB-CG 4.22Å; P232-L285 HydrophobicContact CB-CD1 4.43Å; P232-F291 HydrophobicContact CG-CD2 4.43Å; P232-P294 HydrophobicContact CG-CB 3.64Å
233S96.6Very high96.5Very high37 Ų3730.4 Ų30.426%0.25917%0.173SC..  trans-75.2114.5178.3-175.90000111.5W204 A231 I235 P294W204-S233 PolarHBondContact NE1-O 3.39Å; A231-S233 VanDerWaalsContact C-N 3.25Å; A231-S233 PolarHBondContact O-N 2.85Å; S233-I235 PolarHBondContact O-N 3.48Å; S233-P294 WeakPolarHBondContact CB-O 3.48Å
234L96.8Very high96.7Very high69 Ų6930.3 Ų30.336%0.36117%0.172SC..  trans-80.7112.4174-61.6179.7000109.5I129 P232 K278 V279I129-L234 HydrophobicContact CD1-CD1 3.78Å; I129-L234 HydrophobicContact CG1-CD1 4.1Å; I129-L234 HydrophobicContact CG2-CD1 4.34Å; P232-L234 PolarHBondContact O-N 3.12Å; L234-K278 HydrophobicContact CD1-CB 4.47Å; L234-K278 HydrophobicContact CD2-CB 4.26Å; L234-V279 VanDerWaalsContact CD2-O 3.3Å; L234-V279 WeakPolarHBondContact CD2-O 3.37Å
235I96.9Very high97.1Very high15 Ų1526.8 Ų26.88%0.07715%0.148CC..  trans-127.8165-179.467169.2000111.4F202 W204 S233 E239 F240 I296F202-I235 HydrophobicContact CB-CG1 4.3Å; F202-I235 HydrophobicContact CD1-CD1 4.23Å; F202-I235 PolarHBondContact N-O 2.89Å; W204-I235 VanDerWaalsContact CD1-CD1 3.5Å; W204-I235 HydrophobicContact CG-CD1 4.24Å; S233-I235 PolarHBondContact O-N 3.48Å; I235-E239 WeakPolarHBondContact CA-OE2 3.44Å; I235-E239 HydrophobicContact CB-CB 4.13Å; I235-F240 HydrophobicContact CD1-CB 4.01Å; I235-I296 HydrophobicContact CD1-CB 3.86Å; I235-I296 HydrophobicContact CD1-CD1 4.01Å; I235-I296 HydrophobicContact CD1-CG1 3.67Å; I235-I296 HydrophobicContact CD1-CG2 4.18Å; I235-I296 HydrophobicContact CG2-CG2 4.3Å
236T96.6Very high97.4Very high28 Ų2828.6 Ų28.617%0.17216%0.159CC..BIsolated β-bridgetrans-95.9164.417161.70000111.5G198 Q199 Q200 A238 E239 F240G198-T236 WeakPolarHBondContact O-CB 3.45Å; Q199-T236 WeakPolarHBondContact O-CG2 3.23Å; Q200-T236 WeakPolarHBondContact O-CA 3.38Å; T236-A238 PolarHBondContact O-N 2.94Å; T236-E239 PolarHBondContact N-OE2 3.33Å; T236-E239 PolarHBondContact O-N 2.87Å; T236-E239 WeakPolarHBondContact OG1-CG 3.48Å; T236-E239 PolarHBondContact OG1-N 3.1Å; T236-E239 PolarHBondContact OG1-OE2 2.78Å; T236-F240 PolarHBondContact O-N 2.79Å
237N96.4Very high97.4Very high4 Ų428.4 Ų28.42%0.02116%0.158CC..Hα-helixtrans-60-34.5173.1179.1-89.7000112.5P194 L195 G198 Q200 F202 F240 A241P194-N237 VanDerWaalsContact CA-OD1 3.3Å; P194-N237 WeakPolarHBondContact CA-OD1 3.39Å; L195-N237 PolarHBondContact N-OD1 2.73Å; G198-N237 PolarHBondContact O-N 3.28Å; Q200-N237 HydrophobicContact CG-CB 4.15Å; Q200-N237 PolarHBondContact O-N 2.91Å; F202-N237 HydrophobicContact CD2-CB 4.32Å; N237-F240 WeakPolarHBondContact O-CB 3.49Å; N237-F240 PolarHBondContact O-N 2.73Å; N237-A241 WeakPolarHBondContact O-CB 3.25Å; N237-A241 PolarHBondContact O-N 3.1Å
238A96.8Very high97.3Very high28 Ų2829.3 Ų29.323%0.23116%0.163CC..Hα-helixtrans-65.9-40.4176.200000112.4P194 G198 T236 A241 K242P194-A238 HydrophobicContact CB-CB 4.26Å; G198-A238 VanDerWaalsContact O-CB 3.31Å; G198-A238 WeakPolarHBondContact O-CB 3.25Å; G198-A238 PolarHBondContact O-N 2.73Å; T236-A238 PolarHBondContact O-N 2.94Å; A238-A241 PolarHBondContact O-N 3.11Å; A238-K242 VanDerWaalsContact O-CB 3.25Å; A238-K242 WeakPolarHBondContact O-CB 3.42Å; A238-K242 PolarHBondContact O-N 3.46Å
239E97.4Very high97.2Very high96 Ų9639.7 Ų39.745%0.44920%0.202SC..Hα-helixtrans-66.2-41.7174.9-73.1166.3133.500111.7I235 T236 K242 A243I235-E239 WeakPolarHBondContact CA-OE2 3.44Å; I235-E239 HydrophobicContact CB-CB 4.13Å; T236-E239 PolarHBondContact N-OE2 3.33Å; T236-E239 PolarHBondContact O-N 2.87Å; T236-E239 WeakPolarHBondContact OG1-CG 3.48Å; T236-E239 PolarHBondContact OG1-N 3.1Å; T236-E239 PolarHBondContact OG1-OE2 2.78Å; E239-K242 PolarHBondContact O-N 2.9Å; E239-A243 VanDerWaalsContact O-CB 3.3Å; E239-A243 WeakPolarHBondContact O-CB 3.33Å; E239-A243 PolarHBondContact O-N 3.44Å
240F97.5Very high97.1Very high7 Ų745.5 Ų45.53%0.03122%0.224CC..Hα-helixtrans-56.4-53.7171.1164.4-104.1000111.7L173 I179 I180 I183 F202 I235 T236 N237 K242 A243 F244 I296 M300L173-F240 HydrophobicContact CD1-CD2 4.24Å; L173-F240 HydrophobicContact CD1-CE2 3.95Å; L173-F240 HydrophobicContact CD2-CE2 4.2Å; I179-F240 HydrophobicContact CD1-CE1 4.49Å; I179-F240 HydrophobicContact CD1-CZ 4.16Å; I180-F240 HydrophobicContact CD1-CE2 4.2Å; I180-F240 HydrophobicContact CD1-CZ 3.99Å; I183-F240 HydrophobicContact CD1-CE1 3.82Å; I183-F240 HydrophobicContact CD1-CZ 3.76Å; F202-F240 HydrophobicContact CD1-CB 3.92Å; F202-F240 HydrophobicContact CD1-CD2 4.35Å; F202-F240 HydrophobicContact CD1-CG 4.07Å; F202-F240 HydrophobicContact CE1-CB 4.06Å; F202-F240 HydrophobicContact CE1-CD1 4.15Å; F202-F240 AromaticContact CE1-CD2 3.71Å; F202-F240 HydrophobicContact CE1-CD2 3.71Å; F202-F240 HydrophobicContact CE1-CE2 4.21Å; F202-F240 AromaticContact CE1-CG 3.68Å; F202-F240 HydrophobicContact CE1-CG 3.68Å; F202-F240 HydrophobicContact CE2-CD1 4.28Å; F202-F240 HydrophobicContact CG-CB 4.33Å; F202-F240 AromaticContact CZ-CD1 3.91Å; F202-F240 HydrophobicContact CZ-CD1 3.91Å; F202-F240 HydrophobicContact CZ-CD2 4.17Å; F202-F240 HydrophobicContact CZ-CE1 4.12Å; F202-F240 HydrophobicContact CZ-CE2 4.37Å; F202-F240 AromaticContact CZ-CG 3.93Å; F202-F240 HydrophobicContact CZ-CG 3.93Å; F202-F240 HydrophobicContact CZ-CZ 4.35Å; I235-F240 HydrophobicContact CD1-CB 4.01Å; T236-F240 PolarHBondContact O-N 2.79Å; N237-F240 WeakPolarHBondContact O-CB 3.49Å; N237-F240 PolarHBondContact O-N 2.73Å; F240-K242 VanDerWaalsContact C-N 3.34Å; F240-K242 PolarHBondContact O-N 3.31Å; F240-A243 PolarHBondContact O-N 2.91Å; F240-F244 HydrophobicContact CZ-CD1 4.37Å; F240-F244 PolarHBondContact O-N 3.05Å; F240-I296 HydrophobicContact CD2-CD1 4.01Å; F240-I296 HydrophobicContact CD2-CG1 4.43Å; F240-M300 HydrophobicContact CE2-CE 4.49Å; F240-M300 HydrophobicContact CE2-SD 3.95Å
241A97Very high96.9Very high1 Ų148.6 Ų48.61%0.00824%0.244CC..Hα-helixtrans-59-46.6-17900000111F187 N237 A238 A243 F244 G245 T252F187-A241 HydrophobicContact CE1-CB 4.3Å; F187-A241 HydrophobicContact CZ-CB 4.11Å; N237-A241 WeakPolarHBondContact O-CB 3.25Å; N237-A241 PolarHBondContact O-N 3.1Å; A238-A241 PolarHBondContact O-N 3.11Å; A241-A243 PolarHBondContact O-N 3.41Å; A241-F244 PolarHBondContact O-N 3.23Å; A241-G245 PolarHBondContact O-N 3.34Å; A241-T252 VanDerWaalsContact O-CG2 3.25Å; A241-T252 WeakPolarHBondContact O-CG2 3.48Å
242K97.3Very high96.7Very high148 Ų14850.1 Ų50.164%0.64325%0.253SS*.Hα-helixtrans-61-44.9177.9-175.4177.6-178.41790112.1A238 E239 F240 C246A238-K242 VanDerWaalsContact O-CB 3.25Å; A238-K242 WeakPolarHBondContact O-CB 3.42Å; A238-K242 PolarHBondContact O-N 3.46Å; E239-K242 PolarHBondContact O-N 2.9Å; F240-K242 VanDerWaalsContact C-N 3.34Å; F240-K242 PolarHBondContact O-N 3.31Å; K242-C246 WeakPolarHBondContact O-CB 3.23Å; K242-C246 PolarHBondContact O-N 2.84Å
243A97.5Very high96.3Very high7 Ų755.3 Ų55.36%0.05828%0.278CS..Hα-helixtrans-60.5-46.617700000110.8E239 F240 A241 C246 I247 I296 K297 M300E239-A243 VanDerWaalsContact O-CB 3.3Å; E239-A243 WeakPolarHBondContact O-CB 3.33Å; E239-A243 PolarHBondContact O-N 3.44Å; F240-A243 PolarHBondContact O-N 2.91Å; A241-A243 PolarHBondContact O-N 3.41Å; A243-C246 PolarHBondContact O-N 2.9Å; A243-I247 WeakPolarHBondContact O-CG1 3.18Å; A243-I247 PolarHBondContact O-N 3.47Å; A243-I247 VanDerWaalsContact O-N 3.07Å; A243-I296 HydrophobicContact CB-CG1 4.09Å; A243-I296 HydrophobicContact CB-CG2 4.03Å; A243-K297 HydrophobicContact CB-CG 4.38Å; A243-M300 HydrophobicContact CB-CG 4.45Å
244F97.2Very high96Very high0 Ų059.3 Ų59.30%029%0.291CS..Hα-helixtrans-63.2-48-179.6-171.3-164.1000112.6I180 I183 Y184 F187 F240 A241 C246 I247 L248 M300 V304I180-F244 HydrophobicContact CD1-CE1 4.45Å; I180-F244 HydrophobicContact CG2-CZ 4.46Å; I183-F244 HydrophobicContact CD1-CD1 4.11Å; I183-F244 HydrophobicContact CD1-CE1 3.92Å; I183-F244 HydrophobicContact CG1-CE1 3.95Å; Y184-F244 HydrophobicContact CD2-CE2 4.26Å; Y184-F244 AromaticContact CD2-CZ 3.84Å; Y184-F244 HydrophobicContact CD2-CZ 3.84Å; Y184-F244 HydrophobicContact CG-CZ 4.48Å; F187-F244 HydrophobicContact CB-CD1 4.03Å; F187-F244 HydrophobicContact CB-CE1 3.71Å; F187-F244 HydrophobicContact CB-CZ 4.16Å; F187-F244 HydrophobicContact CD1-CB 4.04Å; F187-F244 AromaticContact CD1-CD1 3.33Å; F187-F244 HydrophobicContact CD1-CD1 3.33Å; F187-F244 AromaticContact CD1-CE1 3.93Å; F187-F244 HydrophobicContact CD1-CE1 3.93Å; F187-F244 AromaticContact CD1-CG 3.77Å; F187-F244 HydrophobicContact CD1-CG 3.77Å; F187-F244 AromaticContact CD2-CD1 3.9Å; F187-F244 HydrophobicContact CD2-CD1 3.9Å; F187-F244 AromaticContact CD2-CE1 3.89Å; F187-F244 HydrophobicContact CD2-CE1 3.89Å; F187-F244 HydrophobicContact CE1-CB 3.97Å; F187-F244 AromaticContact CE1-CD1 3.64Å; F187-F244 HydrophobicContact CE1-CD1 3.64Å; F187-F244 HydrophobicContact CE1-CG 4.1Å; F187-F244 HydrophobicContact CE2-CD1 4.16Å; F187-F244 HydrophobicContact CE2-CE1 4.48Å; F187-F244 AromaticContact CG-CD1 3.46Å; F187-F244 HydrophobicContact CG-CD1 3.46Å; F187-F244 VanDerWaalsContact CG-CD1 3.46Å; F187-F244 AromaticContact CG-CE1 3.56Å; F187-F244 HydrophobicContact CG-CE1 3.56Å; F187-F244 HydrophobicContact CG-CG 4.26Å; F187-F244 HydrophobicContact CG-CZ 4.45Å; F187-F244 HydrophobicContact CZ-CD1 4.04Å; F240-F244 HydrophobicContact CZ-CD1 4.37Å; F240-F244 PolarHBondContact O-N 3.05Å; A241-F244 PolarHBondContact O-N 3.23Å; F244-C246 VanDerWaalsContact C-N 3.34Å; F244-C246 PolarHBondContact O-N 2.76Å; F244-I247 PolarHBondContact O-N 3.37Å; F244-L248 HydrophobicContact CD2-CD1 3.63Å; F244-L248 HydrophobicContact CD2-CG 3.99Å; F244-L248 HydrophobicContact CE1-CD1 4.39Å; F244-L248 HydrophobicContact CE2-CD1 3.29Å; F244-L248 HydrophobicContact CE2-CD2 4.44Å; F244-L248 HydrophobicContact CE2-CG 3.81Å; F244-L248 HydrophobicContact CG-CD1 4.36Å; F244-L248 HydrophobicContact CZ-CD1 3.72Å; F244-L248 PolarHBondContact O-N 3.14Å; F244-L248 VanDerWaalsContact O-N 3.07Å; F244-M300 HydrophobicContact CB-CE 3.86Å; F244-M300 HydrophobicContact CB-CG 4.5Å; F244-M300 HydrophobicContact CD1-CE 4.14Å; F244-M300 HydrophobicContact CD2-CE 3.12Å; F244-M300 HydrophobicContact CE1-CE 4.49Å; F244-M300 HydrophobicContact CE2-CE 3.53Å; F244-M300 HydrophobicContact CG-CE 3.46Å; F244-M300 VanDerWaalsContact CG-CE 3.46Å; F244-M300 HydrophobicContact CZ-CE 4.2Å; F244-V304 HydrophobicContact CD2-CG2 4.26Å; F244-V304 HydrophobicContact CE2-CG2 3.88Å
245G96.8Very high95.8Very high0 Ų064.3 Ų64.30%031%0.305CS..Hα-helixtrans-62.6-39.8176.500000113.1A241 L248 R249 R250A241-G245 PolarHBondContact O-N 3.34Å; G245-L248 CarbonylContact O-C 3.58Å; G245-L248 PolarHBondContact O-N 2.93Å; G245-R249 PolarHBondContact O-N 3.19Å; G245-R250 CarbonylContact C-O 3.53Å; G245-R250 PolarHBondContact O-N 2.85Å
246C96.8Very high95.5Very high91 Ų9165.8 Ų65.862%0.61532%0.315SS*.Hα-helixtrans-59.8-48.1176.9-177.40000111.9K242 A243 F244 L248 R249K242-C246 WeakPolarHBondContact O-CB 3.23Å; K242-C246 PolarHBondContact O-N 2.84Å; A243-C246 PolarHBondContact O-N 2.9Å; F244-C246 VanDerWaalsContact C-N 3.34Å; F244-C246 PolarHBondContact O-N 2.76Å; C246-L248 VanDerWaalsContact C-N 3.32Å; C246-L248 PolarHBondContact O-N 3.03Å; C246-R249 PolarHBondContact O-N 3.12Å
247I97.2Very high95.2Very high24 Ų2467 Ų6712%0.12332%0.323CS..Hα-helixtrans-63.3-39.6177.7-63.7-55.2000111.3A243 F244 R249 M300 R301 V304A243-I247 WeakPolarHBondContact O-CG1 3.18Å; A243-I247 PolarHBondContact O-N 3.47Å; A243-I247 VanDerWaalsContact O-N 3.07Å; F244-I247 PolarHBondContact O-N 3.37Å; I247-R249 PolarHBondContact O-N 3.24Å; I247-M300 HydrophobicContact CG1-CB 3.96Å; I247-R301 HydrophobicContact CD1-CB 4.11Å; I247-V304 HydrophobicContact CG2-CB 3.66Å; I247-V304 HydrophobicContact CG2-CG1 4Å; I247-V304 HydrophobicContact CG2-CG2 3.73Å
248L96Very high94.9Very high22 Ų2271.6 Ų71.612%0.11535%0.345CS..Hα-helixtrans-74.4-7.4175.3-73.7174.7000114.3Y184 F187 F244 G245 C246 R250 V304Y184-L248 HydrophobicContact CE2-CD2 4.32Å; F187-L248 HydrophobicContact CB-CD1 3.67Å; F244-L248 HydrophobicContact CD2-CD1 3.63Å; F244-L248 HydrophobicContact CD2-CG 3.99Å; F244-L248 HydrophobicContact CE1-CD1 4.39Å; F244-L248 HydrophobicContact CE2-CD1 3.29Å; F244-L248 HydrophobicContact CE2-CD2 4.44Å; F244-L248 HydrophobicContact CE2-CG 3.81Å; F244-L248 HydrophobicContact CG-CD1 4.36Å; F244-L248 HydrophobicContact CZ-CD1 3.72Å; F244-L248 PolarHBondContact O-N 3.14Å; F244-L248 VanDerWaalsContact O-N 3.07Å; G245-L248 CarbonylContact O-C 3.58Å; G245-L248 PolarHBondContact O-N 2.93Å; C246-L248 VanDerWaalsContact C-N 3.32Å; C246-L248 PolarHBondContact O-N 3.03Å; L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 HydrophobicContact CB-CB 4.39Å; L248-R250 HydrophobicContact CB-CG 4.21Å; L248-V304 HydrophobicContact CD2-CG1 3.68Å; L248-V304 HydrophobicContact CD2-CG2 3.94Å; L248-V304 HydrophobicContact CG-CG2 4.18Å
249R96.5Very high94.5Very high217 Ų21777.6 Ų77.682%0.81937%0.366SS*.THydrogen-bonded Turntrans53.750.4-170.6-53.8180-179-177.7-0.8111.5G245 C246 I247G245-R249 PolarHBondContact O-N 3.19Å; C246-R249 PolarHBondContact O-N 3.12Å; I247-R249 PolarHBondContact O-N 3.24Å
250R96.8Very high94.1Very high122 Ų12274 Ų7446%0.4635%0.352SS..  trans-133.1146.4179.8-68.9-64.1-178.2-91.22.4111.6F187 C188 G245 L248F187-R250 WeakPolarHBondContact O-CB 3.38Å; F187-R250 WeakPolarHBondContact O-CG 3.38Å; C188-R250 WeakPolarHBondContact O-CD 3.49Å; C188-R250 PolarHBondContact O-NE 3.39Å; G245-R250 CarbonylContact C-O 3.53Å; G245-R250 PolarHBondContact O-N 2.85Å; L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 HydrophobicContact CB-CB 4.39Å; L248-R250 HydrophobicContact CB-CG 4.21Å
251P95.2Very high93.4Very high66 Ų6674 Ų7443%0.42935%0.353SS..  trans-67151.4176.529.5-34.8000110.9L253P251-L253 HydrophobicContact CB-CD1 4.14Å; P251-L253 HydrophobicContact CB-CG 4.06Å
252T94.2Very high92.8Very high36 Ų3676 Ų7622%0.22136%0.363CS..  trans-124.444.8177.557.70000110.9F187 G192 A241F187-T252 HydrophobicContact CD1-CG2 4.42Å; F187-T252 HydrophobicContact CE1-CG2 4.04Å; G192-T252 CarbonylContact O-C 3.59Å; G192-T252 VanDerWaalsContact O-CA 3.23Å; G192-T252 WeakPolarHBondContact O-CA 3.47Å; A241-T252 VanDerWaalsContact O-CG2 3.25Å; A241-T252 WeakPolarHBondContact O-CG2 3.48Å
253L88.6Confident92.2Very high144 Ų14474.5 Ų74.575%0.75436%0.362SS*.  trans-84.3-23.7-169-61.7174.1000112.7P251 R255P251-L253 HydrophobicContact CB-CD1 4.14Å; P251-L253 HydrophobicContact CB-CG 4.06Å; L253-R255 PolarHBondContact O-N 3.49Å
254F90Very high91.3Very high120 Ų12077.6 Ų77.653%0.52638%0.376SS..  trans-84.9114.3-175.2-63.3-76.1000110.7G190 L191 G193G190-F254 WeakPolarHBondContact O-CD2 3.14Å; L191-F254 HydrophobicContact CD2-CE2 4.2Å; G193-F254 CarbonylContact C-O 3.6Å; G193-F254 WeakPolarHBondContact CA-O 3.18Å
255R92.5Very high90.3Very high175 Ų17579 Ų7966%0.6638%0.383SS*.  trans-80133.3167.4-53.5-152179.6122.2-2.6109.4P194 A196 L253 P257P194-R255 HydrophobicContact CG-CB 4.49Å; P194-R255 HydrophobicContact CG-CG 3.84Å; P194-R255 CarbonylContact O-C 3.55Å; P194-R255 WeakPolarHBondContact O-CA 3.49Å; A196-R255 WeakPolarHBondContact O-CD 3.38Å; L253-R255 PolarHBondContact O-N 3.49Å; R255-P257 VanDerWaalsContact O-CD 3.3Å; R255-P257 WeakPolarHBondContact O-CD 3.47Å
256V90.9Very high89.5Confident46 Ų4680.2 Ų80.228%0.27940%0.395SS..BIsolated β-bridgetrans-79.4113.3170.5-174.30000107.7P194 L195 A196 A260 L261P194-V256 PolarHBondContact O-N 3.44Å; L195-V256 HydrophobicContact CD2-CB 3.84Å; L195-V256 HydrophobicContact CD2-CG1 4.49Å; L195-V256 HydrophobicContact CD2-CG2 3.81Å; A196-V256 PolarHBondContact N-O 3.27Å; V256-A260 HydrophobicContact CG1-CB 4.36Å; V256-L261 HydrophobicContact CG1-CD2 3.76Å; V256-L261 HydrophobicContact CG1-CG 3.88Å
257P91.2Very high88.7Confident53 Ų5380.5 Ų80.534%0.34439%0.394SS..  trans-70.3148.7-17629.7-34.3000110.9R255 F259 A260 L261R255-P257 VanDerWaalsContact O-CD 3.3Å; R255-P257 WeakPolarHBondContact O-CD 3.47Å; P257-F259 VanDerWaalsContact C-N 3.28Å; P257-F259 HydrophobicContact CB-CD1 3.63Å; P257-F259 HydrophobicContact CB-CE1 3.41Å; P257-F259 VanDerWaalsContact CB-CE1 3.41Å; P257-F259 HydrophobicContact CB-CZ 4.26Å; P257-F259 HydrophobicContact CG-CD1 3.91Å; P257-F259 HydrophobicContact CG-CE1 3.33Å; P257-F259 HydrophobicContact CG-CE2 4.47Å; P257-F259 HydrophobicContact CG-CZ 3.66Å; P257-F259 PolarHBondContact O-N 3.38Å; P257-A260 HydrophobicContact CG-CB 3.92Å; P257-A260 WeakPolarHBondContact O-CB 3.16Å; P257-A260 PolarHBondContact O-N 2.86Å; P257-L261 PolarHBondContact O-N 2.96Å
258E89.2Confident87.8Confident101 Ų10182.5 Ų82.547%0.47240%0.403SS..Hα-helixtrans-56.4-40.6-175.9-175.2-179.6168.100112.7A196 A260 L261 N262 I274A196-E258 HydrophobicContact CB-CB 4.39Å; E258-A260 PolarHBondContact O-N 3.29Å; E258-L261 WeakPolarHBondContact O-CB 3.43Å; E258-L261 PolarHBondContact O-N 3.26Å; E258-N262 PolarHBondContact O-N 2.93Å; E258-I274 HydrophobicContact CG-CD1 3.71Å; E258-I274 WeakPolarHBondContact OE1-CD1 3.39Å
259F89.6Confident87Confident153 Ų15382.2 Ų82.267%0.67140%0.401SS*.Hα-helixtrans-60.2-33.4178.377.2-97.2000112.5P257 L263P257-F259 VanDerWaalsContact C-N 3.28Å; P257-F259 HydrophobicContact CB-CD1 3.63Å; P257-F259 HydrophobicContact CB-CE1 3.41Å; P257-F259 VanDerWaalsContact CB-CE1 3.41Å; P257-F259 HydrophobicContact CB-CZ 4.26Å; P257-F259 HydrophobicContact CG-CD1 3.91Å; P257-F259 HydrophobicContact CG-CE1 3.33Å; P257-F259 HydrophobicContact CG-CE2 4.47Å; P257-F259 HydrophobicContact CG-CZ 3.66Å; P257-F259 PolarHBondContact O-N 3.38Å; F259-L263 WeakPolarHBondContact O-CB 3.46Å; F259-L263 PolarHBondContact O-N 2.95Å
260A87.5Confident86.4Confident21 Ų2171.9 Ų71.917%0.17436%0.362CS..Hα-helixtrans-70.6-39.1177.300000110.8V256 P257 E258 L263 I264V256-A260 HydrophobicContact CG1-CB 4.36Å; P257-A260 HydrophobicContact CG-CB 3.92Å; P257-A260 WeakPolarHBondContact O-CB 3.16Å; P257-A260 PolarHBondContact O-N 2.86Å; E258-A260 PolarHBondContact O-N 3.29Å; A260-L263 PolarHBondContact O-N 3.13Å; A260-I264 WeakPolarHBondContact O-CD1 3.39Å; A260-I264 VanDerWaalsContact O-CG1 3.24Å; A260-I264 WeakPolarHBondContact O-CG1 3.2Å; A260-I264 PolarHBondContact O-N 2.7Å
261L84.6Confident85.7Confident6 Ų669 Ų693%0.03135%0.354CS..Hα-helixtrans-63.4-46.1174.4-64172.4000111.1L195 V256 P257 E258 L263 I264 F265 A270 L273 I274L195-L261 HydrophobicContact CB-CD1 4.09Å; L195-L261 HydrophobicContact CD2-CD1 4.49Å; L195-L261 HydrophobicContact CD2-CD2 4.26Å; V256-L261 HydrophobicContact CG1-CD2 3.76Å; V256-L261 HydrophobicContact CG1-CG 3.88Å; P257-L261 PolarHBondContact O-N 2.96Å; E258-L261 WeakPolarHBondContact O-CB 3.43Å; E258-L261 PolarHBondContact O-N 3.26Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 PolarHBondContact O-N 3.33Å; L261-I264 PolarHBondContact O-N 2.93Å; L261-F265 HydrophobicContact CD2-CD2 4.28Å; L261-F265 HydrophobicContact CD2-CE2 4.11Å; L261-F265 PolarHBondContact O-N 2.86Å; L261-A270 HydrophobicContact CB-CB 3.95Å; L261-L273 HydrophobicContact CD2-CD1 4.33Å; L261-I274 HydrophobicContact CD1-CG2 3.4Å
262N84.4Confident85.1Confident44 Ų4470 Ų7024%0.23535%0.353CS..Hα-helixtrans-58.5-42.4175.6-71.7-25.6000111.5E258 I264 G266 T267 A270E258-N262 PolarHBondContact O-N 2.93Å; N262-I264 PolarHBondContact O-N 3.1Å; N262-G266 WeakPolarHBondContact O-CA 3.46Å; N262-G266 PolarHBondContact O-N 3.35Å; N262-T267 HydrophobicContact CB-CG2 4.46Å; N262-A270 WeakPolarHBondContact OD1-CB 3.44Å
263L82.8Confident84.6Confident117 Ų11770.3 Ų70.361%0.61335%0.354SS*.Hα-helixtrans-66.3-36.2178.5-173.766.4000112.8R71 F259 A260 L261R71-L263 PolarHBondContact NH1-O 3.47Å; F259-L263 WeakPolarHBondContact O-CB 3.46Å; F259-L263 PolarHBondContact O-N 2.95Å; A260-L263 PolarHBondContact O-N 3.13Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 PolarHBondContact O-N 3.33Å
264I79.4Confident84.5Confident71 Ų7164.7 Ų64.736%0.36432%0.324SS..Hα-helixtrans-81-46.5-177.4-66.2165.3000111.2P68 A260 L261 N262P68-I264 HydrophobicContact CB-CG2 4.29Å; A260-I264 WeakPolarHBondContact O-CD1 3.39Å; A260-I264 VanDerWaalsContact O-CG1 3.24Å; A260-I264 WeakPolarHBondContact O-CG1 3.2Å; A260-I264 PolarHBondContact O-N 2.7Å; L261-I264 PolarHBondContact O-N 2.93Å; N262-I264 PolarHBondContact O-N 3.1Å
265F76.6Confident84.5Confident29 Ų2963.2 Ų63.213%0.12732%0.317CS..Hα-helixtrans-104.9-18.3-167.9-64-74.7000114.1P68 L261 R269 L273P68-F265 HydrophobicContact CB-CE1 3.78Å; P68-F265 HydrophobicContact CB-CZ 4.15Å; L261-F265 HydrophobicContact CD2-CD2 4.28Å; L261-F265 HydrophobicContact CD2-CE2 4.11Å; L261-F265 PolarHBondContact O-N 2.86Å; F265-R269 HydrophobicContact CB-CB 3.83Å; F265-R269 VanDerWaalsContact O-CZ 3.31Å; F265-R269 PolarHBondContact O-NE 3.36Å; F265-R269 PolarHBondContact O-NH2 3.26Å; F265-L273 HydrophobicContact CD2-CD1 3.68Å; F265-L273 HydrophobicContact CE2-CD1 3.75Å; F265-L273 HydrophobicContact CG-CD1 4.17Å; F265-L273 HydrophobicContact CZ-CD1 4.27Å
266G79.4Confident84.4Confident26 Ų2655.1 Ų55.127%0.26829%0.288SS..  trans82.6157.2-16200000111.2N262 R269 A270N262-G266 WeakPolarHBondContact O-CA 3.46Å; N262-G266 PolarHBondContact O-N 3.35Å; G266-R269 PolarHBondContact O-N 2.92Å; G266-A270 VanDerWaalsContact O-CB 3.27Å; G266-A270 WeakPolarHBondContact O-CB 3.45Å; G266-A270 PolarHBondContact O-N 2.89Å
267T80.2Confident84.4Confident97 Ų9754 Ų5460%0.59528%0.28SS*.Hα-helixtrans-59.9-50-172.347.50000113N262 R269 A270 E271N262-T267 HydrophobicContact CB-CG2 4.46Å; T267-R269 VanDerWaalsContact C-N 3.34Å; T267-R269 PolarHBondContact O-N 3.04Å; T267-A270 PolarHBondContact O-N 3.07Å; T267-E271 WeakPolarHBondContact O-CB 3.41Å; T267-E271 PolarHBondContact O-N 3.42Å
268E78.5Confident84.6Confident67 Ų6754.9 Ų54.931%0.31328%0.278SS..Hα-helixtrans-61.6-37.3-178.8-72.6-179.9-150.100113.3W80 K85 E271W80-E268 PolarHBondContact NE1-OE2 3.31Å; K85-E268 WeakPolarHBondContact CE-OE2 3.35Å; K85-E268 IonicContact NZ-OE1 2.73Å; K85-E268 PolarHBondContact NZ-OE1 3.38Å; K85-E268 IonicContact NZ-OE2 2.62Å; K85-E268 PolarHBondContact NZ-OE2 3.11Å; E268-E271 WeakPolarHBondContact O-CB 3.09Å
269R80.1Confident85Confident16 Ų1650.1 Ų50.16%0.0626%0.256CS..Hα-helixtrans-78.3-34.7176.3-78.7-164.7-63.5175.90.9112.4I65 W80 F143 F265 G266 T267 M272I65-R269 WeakPolarHBondContact O-CD 3.2Å; I65-R269 PolarHBondContact O-NH1 3.39Å; I65-R269 VanDerWaalsContact O-NH1 3.13Å; W80-R269 HydrophobicContact CD2-CG 3.77Å; W80-R269 HydrophobicContact CE3-CG 3.6Å; W80-R269 HydrophobicContact CG-CG 4.42Å; W80-R269 HydrophobicContact CH2-CG 4.09Å; W80-R269 HydrophobicContact CZ2-CG 4.21Å; W80-R269 HydrophobicContact CZ3-CG 3.78Å; F143-R269 HydrophobicContact CZ-CG 4.22Å; F265-R269 HydrophobicContact CB-CB 3.83Å; F265-R269 VanDerWaalsContact O-CZ 3.31Å; F265-R269 PolarHBondContact O-NE 3.36Å; F265-R269 PolarHBondContact O-NH2 3.26Å; G266-R269 PolarHBondContact O-N 2.92Å; T267-R269 VanDerWaalsContact C-N 3.34Å; T267-R269 PolarHBondContact O-N 3.04Å; R269-M272 WeakPolarHBondContact O-CB 3.48Å; R269-M272 PolarHBondContact O-N 3.24Å
270A82.1Confident85.4Confident0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-63.4-37.1173.500000110.5L261 N262 G266 T267 M272 L273 I274L261-A270 HydrophobicContact CB-CB 3.95Å; N262-A270 WeakPolarHBondContact OD1-CB 3.44Å; G266-A270 VanDerWaalsContact O-CB 3.27Å; G266-A270 WeakPolarHBondContact O-CB 3.45Å; G266-A270 PolarHBondContact O-N 2.89Å; T267-A270 PolarHBondContact O-N 3.07Å; A270-M272 VanDerWaalsContact C-N 3.3Å; A270-M272 PolarHBondContact O-N 2.64Å; A270-L273 WeakPolarHBondContact O-CA 3.31Å; A270-L273 WeakPolarHBondContact O-CB 3.42Å; A270-L273 PolarHBondContact O-N 2.68Å; A270-I274 WeakPolarHBondContact O-CG1 3.35Å; A270-I274 PolarHBondContact O-N 3.28Å
271E82.5Confident85.9Confident62 Ų6244.7 Ų44.729%0.2923%0.229SC..Hα-helixtrans-55.5-43.3173.9-168.8168.4-162.900112T267 E268 L273 I274 K275T267-E271 WeakPolarHBondContact O-CB 3.41Å; T267-E271 PolarHBondContact O-N 3.42Å; E268-E271 WeakPolarHBondContact O-CB 3.09Å; E271-L273 PolarHBondContact O-N 2.81Å; E271-I274 PolarHBondContact O-N 3.01Å; E271-K275 HydrophobicContact CG-CD 3.6Å; E271-K275 HydrophobicContact CG-CG 4Å; E271-K275 VanDerWaalsContact O-CB 3.29Å; E271-K275 WeakPolarHBondContact O-CB 3.45Å; E271-K275 PolarHBondContact O-N 3.37Å; E271-K275 WeakPolarHBondContact OE1-CE 3.46Å; E271-K275 IonicContact OE1-NZ 3.7Å; E271-K275 PolarHBondContact OE1-NZ 3.1Å
272M82.8Confident86.5Confident86 Ų8648.6 Ų48.642%0.42425%0.248SC..Hα-helixtrans-60.7-24.2173.3-171.9-165.771.300113.6I65 F143 R269 A270I65-M272 HydrophobicContact CG2-CE 4.43Å; I65-M272 HydrophobicContact CG2-SD 4.34Å; F143-M272 HydrophobicContact CE1-SD 4.33Å; F143-M272 HydrophobicContact CE2-CB 4.26Å; F143-M272 HydrophobicContact CZ-SD 4.25Å; R269-M272 WeakPolarHBondContact O-CB 3.48Å; R269-M272 PolarHBondContact O-N 3.24Å; A270-M272 VanDerWaalsContact C-N 3.3Å; A270-M272 PolarHBondContact O-N 2.64Å
273L83.7Confident87.2Confident43 Ų4351.3 Ų51.323%0.22525%0.254CS..Hα-helixtrans-92.3-30.1180-62174.6000113.1L195 Q200 L261 F265 A270 E271L195-L273 HydrophobicContact CD1-CB 4.07Å; Q200-L273 PolarHBondContact NE2-O 2.96Å; Q200-L273 VanDerWaalsContact NE2-O 3.11Å; L261-L273 HydrophobicContact CD2-CD1 4.33Å; F265-L273 HydrophobicContact CD2-CD1 3.68Å; F265-L273 HydrophobicContact CE2-CD1 3.75Å; F265-L273 HydrophobicContact CG-CD1 4.17Å; F265-L273 HydrophobicContact CZ-CD1 4.27Å; A270-L273 WeakPolarHBondContact O-CA 3.31Å; A270-L273 WeakPolarHBondContact O-CB 3.42Å; A270-L273 PolarHBondContact O-N 2.68Å; E271-L273 PolarHBondContact O-N 2.81Å
274I87.4Confident87.9Confident25 Ų2545.8 Ų45.813%0.12823%0.225CC..Hα-helixtrans-101.2-13-175.969.6-171.9000113.1A196 Q200 E258 L261 A270 E271A196-I274 HydrophobicContact CB-CB 4.16Å; A196-I274 HydrophobicContact CB-CG2 3.74Å; Q200-I274 VanDerWaalsContact CB-O 3.26Å; Q200-I274 WeakPolarHBondContact CB-O 3.46Å; Q200-I274 WeakPolarHBondContact CG-O 3.3Å; E258-I274 HydrophobicContact CG-CD1 3.71Å; E258-I274 WeakPolarHBondContact OE1-CD1 3.39Å; L261-I274 HydrophobicContact CD1-CG2 3.4Å; A270-I274 WeakPolarHBondContact O-CG1 3.35Å; A270-I274 PolarHBondContact O-N 3.28Å; E271-I274 PolarHBondContact O-N 3.01Å
275K88.7Confident88.7Confident90 Ų9045.5 Ų45.539%0.39122%0.224SC..  trans-112160.2168.6-57.8-168.9179.51770109.8P124 E271P124-K275 HydrophobicContact CB-CB 3.8Å; P124-K275 HydrophobicContact CB-CD 4.24Å; P124-K275 HydrophobicContact CG-CB 4.01Å; P124-K275 HydrophobicContact CG-CD 4.27Å; E271-K275 HydrophobicContact CG-CD 3.6Å; E271-K275 HydrophobicContact CG-CG 4Å; E271-K275 VanDerWaalsContact O-CB 3.29Å; E271-K275 WeakPolarHBondContact O-CB 3.45Å; E271-K275 PolarHBondContact O-N 3.37Å; E271-K275 WeakPolarHBondContact OE1-CE 3.46Å; E271-K275 IonicContact OE1-NZ 3.7Å; E271-K275 PolarHBondContact OE1-NZ 3.1Å
276G90Very high89.7Confident5 Ų548.3 Ų48.35%0.05225%0.253CS..  trans-164.8173.5179.600000113.8P124 D125 P201P124-G276 WeakPolarHBondContact CA-O 3.47Å; D125-G276 PolarHBondContact N-O 3.36Å; P201-G276 WeakPolarHBondContact O-CA 3.3Å
277Q92.4Very high90.5Very high22 Ų2248.4 Ų48.410%0.10325%0.25CC..EExtended strand (participates in β ladder)trans-122.6135.2-177.2-51.487.6-3.600110.1Y122 P123 Y130 P201 P203 V279Y122-Q277 WeakPolarHBondContact O-CG 3.32Å; Y122-Q277 PolarHBondContact O-NE2 3.3Å; P123-Q277 WeakPolarHBondContact O-CG 3.3Å; Y130-Q277 HydrophobicContact CD2-CB 4.18Å; Y130-Q277 HydrophobicContact CE2-CB 4.44Å; P201-Q277 VanDerWaalsContact CB-C 3.42Å; P201-Q277 WeakPolarHBondContact CB-O 3.35Å; P203-Q277 WeakPolarHBondContact CD-O 3.23Å; Q277-V279 HydrophobicContact CB-CG2 3.73Å; Q277-V279 PolarHBondContact O-N 2.79Å
278K95.4Very high91.3Very high71 Ų7146.3 Ų46.331%0.30925%0.247SC..EExtended strand (participates in β ladder)trans-77.5110.6164.6-65.1174.9173.2168.90107.4E126 R128 I129 Y130 P201 L234E126-K278 WeakPolarHBondContact O-CE 3.29Å; E126-K278 PolarHBondContact O-NZ 2.93Å; R128-K278 WeakPolarHBondContact O-CB 3.39Å; I129-K278 CarbonylContact C-O 3.58Å; I129-K278 WeakPolarHBondContact CA-O 3.26Å; I129-K278 HydrophobicContact CG1-CB 4.1Å; I129-K278 HydrophobicContact CG1-CD 4.24Å; Y130-K278 PolarHBondContact N-O 3.45Å; P201-K278 HydrophobicContact CB-CG 3.76Å; P201-K278 HydrophobicContact CG-CG 3.64Å; L234-K278 HydrophobicContact CD1-CB 4.47Å; L234-K278 HydrophobicContact CD2-CB 4.26Å
279V97.1Very high92.2Very high2 Ų244.2 Ų44.21%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-118.1125.7-177.9-173.40000109.2V119 Y122 Y130 P203 N228 V230 L234 Q277V119-V279 HydrophobicContact CB-CG2 4.05Å; V119-V279 HydrophobicContact CG1-CB 4.31Å; V119-V279 HydrophobicContact CG1-CG1 4.12Å; V119-V279 HydrophobicContact CG1-CG2 3.93Å; Y122-V279 HydrophobicContact CD2-CG1 4.41Å; Y122-V279 HydrophobicContact CD2-CG2 3.9Å; Y122-V279 HydrophobicContact CE2-CG1 3.96Å; Y122-V279 HydrophobicContact CE2-CG2 4.28Å; Y130-V279 CarbonylContact O-C 3.46Å; Y130-V279 WeakPolarHBondContact O-CA 3.29Å; P203-V279 HydrophobicContact CB-CB 4.4Å; P203-V279 HydrophobicContact CB-CG2 4.2Å; N228-V279 HydrophobicContact CB-CG1 3.84Å; N228-V279 VanDerWaalsContact CG-CG1 3.44Å; N228-V279 VanDerWaalsContact ND2-CG1 3.3Å; N228-V279 WeakPolarHBondContact ND2-CG1 3.4Å; V230-V279 HydrophobicContact CG1-CB 4.25Å; V230-V279 HydrophobicContact CG1-CG1 4.26Å; V230-V279 HydrophobicContact CG2-CB 4.15Å; V230-V279 HydrophobicContact CG2-CG1 3.92Å; V230-V279 WeakPolarHBondContact CG2-O 3.3Å; L234-V279 VanDerWaalsContact CD2-O 3.3Å; L234-V279 WeakPolarHBondContact CD2-O 3.37Å; Q277-V279 HydrophobicContact CB-CG2 3.73Å; Q277-V279 PolarHBondContact O-N 2.79Å
280H97.7Very high93.1Very high60 Ų6049.1 Ų49.128%0.27827%0.268SS..  trans-105.5133.2176.8-171.467.7000110.3I129 Y130 T131 N228 E282I129-H280 HydrophobicContact CG2-CB 3.79Å; Y130-H280 PolarHBondContact O-N 3.47Å; T131-H280 HydrophobicContact CG2-CB 4.3Å; N228-H280 PolarHBondContact ND2-O 3.04Å; N228-H280 VanDerWaalsContact ND2-O 3.11Å; H280-E282 VanDerWaalsContact C-N 3.26Å; H280-E282 PolarHBondContact O-N 3.24Å; H280-E282 VanDerWaalsContact O-N 3.08Å
281P98.1Very high93.9Very high0 Ų050.1 Ų50.10%027%0.273CS..  trans-8755.6-176.137.5-36.7000112.1N228 V230 P232 T284 L285 F291N228-P281 HydrophobicContact CB-CB 4.43Å; N228-P281 WeakPolarHBondContact O-CB 3.41Å; V230-P281 HydrophobicContact CG2-CB 3.84Å; V230-P281 HydrophobicContact CG2-CG 4.12Å; V230-P281 WeakPolarHBondContact O-CB 3.35Å; V230-P281 WeakPolarHBondContact O-CG 3.34Å; P232-P281 HydrophobicContact CB-CG 4.22Å; P281-T284 PolarHBondContact O-N 3.11Å; P281-L285 HydrophobicContact CG-CD1 4.14Å; P281-L285 HydrophobicContact CG-CG 4.27Å; P281-L285 WeakPolarHBondContact O-CG 3.41Å; P281-L285 PolarHBondContact O-N 3.31Å; P281-F291 HydrophobicContact CB-CZ 4.24Å; P281-F291 HydrophobicContact CG-CE2 4.38Å; P281-F291 HydrophobicContact CG-CZ 4.12Å
282E97.8Very high94.6Very high88 Ų8853.1 Ų53.141%0.41128%0.284SS..Hα-helixtrans-58.5-54.3-171.4-175.8175.5-97.800112.3T131 E132 H280 T284 L285 A286T131-E282 HydrophobicContact CG2-CB 4.04Å; E132-E282 PolarHBondContact OE2-N 2.94Å; E132-E282 VanDerWaalsContact OE2-N 3.1Å; H280-E282 VanDerWaalsContact C-N 3.26Å; H280-E282 PolarHBondContact O-N 3.24Å; H280-E282 VanDerWaalsContact O-N 3.08Å; E282-T284 VanDerWaalsContact C-N 3.28Å; E282-T284 PolarHBondContact O-N 2.83Å; E282-L285 PolarHBondContact O-N 2.88Å; E282-A286 WeakPolarHBondContact O-CB 3.37Å; E282-A286 PolarHBondContact O-N 3.31Å
283R97.6Very high95.4Very high101 Ų10151.2 Ų51.238%0.38127%0.273SS..Hα-helixtrans-69.1-31.1178.4-72.2-171.3166.9178.3-8.3112.4E132 S225 I226 L227 A286 S287E132-R283 HydrophobicContact CB-CB 4.23Å; E132-R283 HydrophobicContact CB-CG 3.94Å; E132-R283 VanDerWaalsContact CD-N 3.34Å; E132-R283 HydrophobicContact CG-CB 4.06Å; E132-R283 HydrophobicContact CG-CG 4.33Å; E132-R283 PolarHBondContact OE1-N 2.94Å; E132-R283 PolarHBondContact OE2-N 3.31Å; S225-R283 PolarHBondContact OG-NH1 3.24Å; I226-R283 WeakPolarHBondContact O-CD 3.11Å; L227-R283 HydrophobicContact CD2-CB 4Å; R283-A286 PolarHBondContact O-N 2.72Å; R283-S287 WeakPolarHBondContact O-CB 3.21Å; R283-S287 PolarHBondContact O-N 3.45Å
284T98Very high96Very high0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-65.7-44.3177.3-510000110.9E132 I213 L227 N228 P281 E282 S287 Y289 F291E132-T284 PolarHBondContact OE1-N 3.44Å; E132-T284 PolarHBondContact OE1-OG1 2.79Å; I213-T284 HydrophobicContact CD1-CG2 3.77Å; I213-T284 HydrophobicContact CG1-CG2 3.88Å; I213-T284 HydrophobicContact CG2-CG2 4.26Å; L227-T284 WeakPolarHBondContact CB-OG1 3.35Å; N228-T284 PolarHBondContact N-OG1 2.83Å; N228-T284 PolarHBondContact O-OG1 2.95Å; P281-T284 PolarHBondContact O-N 3.11Å; E282-T284 VanDerWaalsContact C-N 3.28Å; E282-T284 PolarHBondContact O-N 2.83Å; T284-S287 WeakPolarHBondContact O-CB 3.32Å; T284-S287 PolarHBondContact O-N 2.65Å; T284-S287 PolarHBondContact O-OG 2.86Å; T284-Y289 HydrophobicContact CG2-CD1 4.38Å; T284-F291 HydrophobicContact CG2-CE2 4.47Å; T284-F291 HydrophobicContact CG2-CZ 4.16Å
285L97.4Very high96.5Very high66 Ų6653.2 Ų53.235%0.34629%0.287SS..Hα-helixtrans-65.1-47.1172.5-70.5167.7000111.5P232 P281 E282 S287 G288 F291P232-L285 HydrophobicContact CB-CD1 4.43Å; P281-L285 HydrophobicContact CG-CD1 4.14Å; P281-L285 HydrophobicContact CG-CG 4.27Å; P281-L285 WeakPolarHBondContact O-CG 3.41Å; P281-L285 PolarHBondContact O-N 3.31Å; E282-L285 PolarHBondContact O-N 2.88Å; L285-S287 PolarHBondContact O-N 3.19Å; L285-S287 VanDerWaalsContact O-N 3.14Å; L285-G288 PolarHBondContact O-N 3.36Å; L285-F291 HydrophobicContact CD2-CD2 3.78Å; L285-F291 HydrophobicContact CD2-CE2 3.59Å; L285-F291 HydrophobicContact CG-CE2 4.14Å
286A96.7Very high97Very high88 Ų8849.3 Ų49.373%0.72727%0.271SS*.Hα-helixtrans-61.6-23.1179.100000113.1E282 R283 G288E282-A286 WeakPolarHBondContact O-CB 3.37Å; E282-A286 PolarHBondContact O-N 3.31Å; R283-A286 PolarHBondContact O-N 2.72Å; A286-G288 PolarHBondContact O-N 3.33Å
287S96.9Very high97.3Very high28 Ų2855 Ų5520%0.19629%0.294CS..THydrogen-bonded Turntrans-70.3-8.7173.883.50000114.2H216 R283 T284 L285H216-S287 PolarHBondContact CD2-OG 3.39Å; H216-S287 VanDerWaalsContact CD2-OG 3.27Å; H216-S287 PolarHBondContact CE1-O 2.82Å; H216-S287 PolarHBondContact NE2-O 3.16Å; H216-S287 PolarHBondContact NE2-OG 3.2Å; H216-S287 VanDerWaalsContact NE2-OG 3.09Å; R283-S287 WeakPolarHBondContact O-CB 3.21Å; R283-S287 PolarHBondContact O-N 3.45Å; T284-S287 WeakPolarHBondContact O-CB 3.32Å; T284-S287 PolarHBondContact O-N 2.65Å; T284-S287 PolarHBondContact O-OG 2.86Å; L285-S287 PolarHBondContact O-N 3.19Å; L285-S287 VanDerWaalsContact O-N 3.14Å
288G96.9Very high97.5Very high53 Ų5357.4 Ų57.455%0.54631%0.307SS..THydrogen-bonded Turntrans86.110.2-175.900000114.4L285 A286 V290L285-G288 PolarHBondContact O-N 3.36Å; A286-G288 PolarHBondContact O-N 3.33Å; G288-V290 PolarHBondContact O-N 3.02Å
289Y97.7Very high97.7Very high22 Ų2254 Ų549%0.08629%0.293CS..  trans-67.8130.6173.3-176.4-100.9000110.6D209 I213 H216 T284 F291D209-Y289 VanDerWaalsContact CA-OH 3.29Å; D209-Y289 WeakPolarHBondContact CA-OH 3.46Å; D209-Y289 HydrophobicContact CB-CE1 4.5Å; D209-Y289 PolarHBondContact O-OH 2.91Å; D209-Y289 PolarHBondContact OD1-OH 3.21Å; I213-Y289 HydrophobicContact CD1-CD1 4.38Å; I213-Y289 HydrophobicContact CD1-CE1 4.29Å; I213-Y289 HydrophobicContact CG1-CD1 3.69Å; I213-Y289 HydrophobicContact CG1-CD2 4.2Å; I213-Y289 HydrophobicContact CG1-CE1 3.67Å; I213-Y289 HydrophobicContact CG1-CE2 4.19Å; I213-Y289 HydrophobicContact CG1-CG 3.98Å; H216-Y289 HydrophobicContact CB-CD2 3.86Å; T284-Y289 HydrophobicContact CG2-CD1 4.38Å; Y289-F291 HydrophobicContact CD1-CD1 4.42Å; Y289-F291 AromaticContact CD1-CD2 3.91Å; Y289-F291 HydrophobicContact CD1-CD2 3.91Å; Y289-F291 HydrophobicContact CD1-CE1 4.36Å; Y289-F291 AromaticContact CD1-CE2 3.84Å; Y289-F291 HydrophobicContact CD1-CE2 3.84Å; Y289-F291 HydrophobicContact CD1-CG 4.21Å; Y289-F291 HydrophobicContact CD1-CZ 4.08Å; Y289-F291 AromaticContact CE1-CD1 3.94Å; Y289-F291 HydrophobicContact CE1-CD1 3.94Å; Y289-F291 HydrophobicContact CE1-CD2 4.14Å; Y289-F291 HydrophobicContact CE1-CE1 4.12Å; Y289-F291 HydrophobicContact CE1-CE2 4.31Å; Y289-F291 AromaticContact CE1-CG 3.94Å; Y289-F291 HydrophobicContact CE1-CG 3.94Å; Y289-F291 HydrophobicContact CE1-CZ 4.31Å
290V98Very high97.7Very high120 Ų12053.9 Ų53.973%0.72729%0.292SS*.  trans-107.2117.1178.5-1780000109.3G288G288-V290 PolarHBondContact O-N 3.02Å
291F98.5Very high97.7Very high21 Ų2156.7 Ų56.79%0.09230%0.3CS..  trans-70.8132.8179.5-72.9-96.2000111.6I205 D209 I213 V230 P232 P281 T284 L285 Y289 P294I205-F291 HydrophobicContact CD1-CE1 4.08Å; D209-F291 HydrophobicContact CB-CD1 4.09Å; D209-F291 WeakPolarHBondContact OD1-CA 3.44Å; I213-F291 HydrophobicContact CD1-CE1 4.22Å; I213-F291 HydrophobicContact CD1-CZ 4.28Å; V230-F291 VanDerWaalsContact O-CE1 3.26Å; V230-F291 WeakPolarHBondContact O-CE1 3.24Å; V230-F291 VanDerWaalsContact O-CZ 3.25Å; V230-F291 WeakPolarHBondContact O-CZ 3.27Å; P232-F291 HydrophobicContact CG-CD2 4.43Å; P281-F291 HydrophobicContact CB-CZ 4.24Å; P281-F291 HydrophobicContact CG-CE2 4.38Å; P281-F291 HydrophobicContact CG-CZ 4.12Å; T284-F291 HydrophobicContact CG2-CE2 4.47Å; T284-F291 HydrophobicContact CG2-CZ 4.16Å; L285-F291 HydrophobicContact CD2-CD2 3.78Å; L285-F291 HydrophobicContact CD2-CE2 3.59Å; L285-F291 HydrophobicContact CG-CE2 4.14Å; Y289-F291 HydrophobicContact CD1-CD1 4.42Å; Y289-F291 AromaticContact CD1-CD2 3.91Å; Y289-F291 HydrophobicContact CD1-CD2 3.91Å; Y289-F291 HydrophobicContact CD1-CE1 4.36Å; Y289-F291 AromaticContact CD1-CE2 3.84Å; Y289-F291 HydrophobicContact CD1-CE2 3.84Å; Y289-F291 HydrophobicContact CD1-CG 4.21Å; Y289-F291 HydrophobicContact CD1-CZ 4.08Å; Y289-F291 AromaticContact CE1-CD1 3.94Å; Y289-F291 HydrophobicContact CE1-CD1 3.94Å; Y289-F291 HydrophobicContact CE1-CD2 4.14Å; Y289-F291 HydrophobicContact CE1-CE1 4.12Å; Y289-F291 HydrophobicContact CE1-CE2 4.31Å; Y289-F291 AromaticContact CE1-CG 3.94Å; Y289-F291 HydrophobicContact CE1-CG 3.94Å; Y289-F291 HydrophobicContact CE1-CZ 4.31Å; F291-P294 HydrophobicContact CB-CB 4.08Å
292K98.3Very high97.6Very high124 Ų12459.4 Ų59.454%0.53931%0.313SS..SBendtrans-77.1-37.5172.3-65179.8-178.6176.70111.7D208 D209 P294D208-K292 HydrophobicContact CB-CD 4.33Å; D209-K292 PolarHBondContact OD1-N 3.39Å; D209-K292 PolarHBondContact OD2-N 3.32Å; K292-P294 VanDerWaalsContact C-CD 3.5Å
293Y98.3Very high97.6Very high47 Ų4755.2 Ų55.218%0.18429%0.293CS..  trans-129.171.7-178.2-48.6-80.7000110.3W204 H206 D208 D209 D295 Q302W204-Y293 VanDerWaalsContact CH2-O 3.31Å; W204-Y293 WeakPolarHBondContact CH2-O 3.03Å; H206-Y293 HydrophobicContact CB-CD2 3.76Å; H206-Y293 HydrophobicContact CB-CG 4.18Å; H206-Y293 AromaticContact CD2-CD2 3.94Å; H206-Y293 AromaticContact CE1-CD2 3.71Å; H206-Y293 AromaticContact CE1-CE2 3.47Å; H206-Y293 VanDerWaalsContact CE1-CE2 3.47Å; H206-Y293 WeakPolarHBondContact CE1-CE2 3.41Å; H206-Y293 AromaticContact CG-CD2 3.32Å; H206-Y293 AromaticContact CG-CE2 3.92Å; H206-Y293 AromaticContact CG-CG 3.88Å; H206-Y293 AromaticContact ND1-CD2 3.17Å; H206-Y293 WeakPolarHBondContact ND1-CD2 3.06Å; H206-Y293 AromaticContact ND1-CE2 3.3Å; H206-Y293 VanDerWaalsContact ND1-CE2 3.3Å; H206-Y293 WeakPolarHBondContact ND1-CE2 3.2Å; D208-Y293 HydrophobicContact CB-CE2 4Å; D209-Y293 PolarHBondContact OD2-N 2.76Å; Y293-D295 VanDerWaalsContact C-N 3.28Å; Y293-D295 PolarHBondContact O-N 2.67Å; Y293-Q302 HydrophobicContact CD1-CB 4.2Å; Y293-Q302 HydrophobicContact CE1-CB 3.57Å; Y293-Q302 HydrophobicContact CE1-CG 3.81Å; Y293-Q302 WeakPolarHBondContact OH-CG 3.3Å
294P98.1Very high97.4Very high55 Ų5550.9 Ų50.936%0.35728%0.278SS..  trans-71.4-23179.429.6-35000113.2P232 S233 F291 K292P232-P294 HydrophobicContact CG-CB 3.64Å; S233-P294 WeakPolarHBondContact CB-O 3.48Å; F291-P294 HydrophobicContact CB-CB 4.08Å; K292-P294 VanDerWaalsContact C-CD 3.5Å
295D97.7Very high97.2Very high55 Ų5557.1 Ų57.129%0.29431%0.307SS..SBendtrans-106.2143.4179.4177.8-99.8000112.4W204 Y293 K297 D298 A299W204-D295 WeakPolarHBondContact CH2-O 3.14Å; Y293-D295 VanDerWaalsContact C-N 3.28Å; Y293-D295 PolarHBondContact O-N 2.67Å; D295-K297 PolarHBondContact O-N 2.78Å; D295-K297 WeakPolarHBondContact OD1-CA 3.43Å; D295-K297 WeakPolarHBondContact OD1-CB 3.45Å; D295-K297 PolarHBondContact OD1-N 2.9Å; D295-D298 PolarHBondContact O-N 3.39Å; D295-D298 PolarHBondContact OD1-N 3.32Å; D295-A299 WeakPolarHBondContact O-CB 3.45Å; D295-A299 PolarHBondContact O-N 2.99Å
296I97.8Very high96.6Very high8 Ų857.4 Ų57.44%0.04133%0.326CS..Hα-helixtrans-68.1-32.9-175.3-171.260.5000112.9L173 W204 I235 F240 A243 M300L173-I296 HydrophobicContact CD1-CD1 3.7Å; W204-I296 HydrophobicContact CD2-CD1 3.74Å; W204-I296 HydrophobicContact CE3-CD1 3.85Å; W204-I296 HydrophobicContact CG-CD1 4.33Å; W204-I296 HydrophobicContact CH2-CB 4.32Å; W204-I296 HydrophobicContact CH2-CD1 4.16Å; W204-I296 HydrophobicContact CZ2-CB 3.79Å; W204-I296 HydrophobicContact CZ2-CD1 4.05Å; W204-I296 HydrophobicContact CZ3-CD1 4.07Å; I235-I296 HydrophobicContact CD1-CB 3.86Å; I235-I296 HydrophobicContact CD1-CD1 4.01Å; I235-I296 HydrophobicContact CD1-CG1 3.67Å; I235-I296 HydrophobicContact CD1-CG2 4.18Å; I235-I296 HydrophobicContact CG2-CG2 4.3Å; F240-I296 HydrophobicContact CD2-CD1 4.01Å; F240-I296 HydrophobicContact CD2-CG1 4.43Å; A243-I296 HydrophobicContact CB-CG1 4.09Å; A243-I296 HydrophobicContact CB-CG2 4.03Å; I296-M300 HydrophobicContact CD1-CG 4.08Å; I296-M300 HydrophobicContact CD1-SD 4.29Å; I296-M300 HydrophobicContact CG1-CG 4.19Å; I296-M300 WeakPolarHBondContact O-CB 3.42Å; I296-M300 VanDerWaalsContact O-CG 3.25Å; I296-M300 WeakPolarHBondContact O-CG 3.24Å; I296-M300 PolarHBondContact O-N 3.49Å
297K97.3Very high96.6Very high123 Ų12355.9 Ų55.954%0.53531%0.306SS..Hα-helixtrans-68.5-41.5179-61.1177.2-179.3170.10110.4A243 D295 M300 R301A243-K297 HydrophobicContact CB-CG 4.38Å; D295-K297 PolarHBondContact O-N 2.78Å; D295-K297 WeakPolarHBondContact OD1-CA 3.43Å; D295-K297 WeakPolarHBondContact OD1-CB 3.45Å; D295-K297 PolarHBondContact OD1-N 2.9Å; K297-M300 PolarHBondContact O-N 2.75Å; K297-R301 VanDerWaalsContact O-CB 3.31Å; K297-R301 WeakPolarHBondContact O-CB 3.1Å; K297-R301 PolarHBondContact O-N 2.75Å
298D96.9Very high96.6Very high73 Ų7357.4 Ų57.439%0.3931%0.312SS..Hα-helixtrans-67.6-42.6177.9-68-19.7000111.4D295 R301 Q302D295-D298 PolarHBondContact O-N 3.39Å; D295-D298 PolarHBondContact OD1-N 3.32Å; D298-R301 PolarHBondContact O-N 2.76Å; D298-R301 IonicContact OD1-CZ 3.83Å; D298-R301 IonicContact OD1-NH1 3.15Å; D298-R301 PolarHBondContact OD1-NH1 3.43Å; D298-Q302 PolarHBondContact O-N 2.78Å
299A97.9Very high96.6Very high0 Ų057.6 Ų57.60%030%0.299CS..Hα-helixtrans-57.7-49.7172.200000111.8W204 H206 D295 R301 Q302 I303W204-A299 HydrophobicContact CE3-CB 4.42Å; W204-A299 HydrophobicContact CH2-CB 3.58Å; W204-A299 HydrophobicContact CZ3-CB 3.34Å; H206-A299 HydrophobicContact CB-CB 4.48Å; D295-A299 WeakPolarHBondContact O-CB 3.45Å; D295-A299 PolarHBondContact O-N 2.99Å; A299-R301 VanDerWaalsContact C-N 3.33Å; A299-R301 PolarHBondContact O-N 2.68Å; A299-Q302 PolarHBondContact O-N 2.87Å; A299-I303 VanDerWaalsContact O-CG1 3.26Å; A299-I303 WeakPolarHBondContact O-CG1 3.22Å; A299-I303 PolarHBondContact O-N 3.33Å
300M97.6Very high96.5Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-66.4-35.5179.3-69.2-42.3-61.700112.4L173 I180 F240 A243 F244 I247 I296 K297 Q302 I303 V304L173-M300 HydrophobicContact CD1-SD 4.19Å; I180-M300 HydrophobicContact CD1-CE 3.88Å; I180-M300 HydrophobicContact CD1-SD 4.4Å; F240-M300 HydrophobicContact CE2-CE 4.49Å; F240-M300 HydrophobicContact CE2-SD 3.95Å; A243-M300 HydrophobicContact CB-CG 4.45Å; F244-M300 HydrophobicContact CB-CE 3.86Å; F244-M300 HydrophobicContact CB-CG 4.5Å; F244-M300 HydrophobicContact CD1-CE 4.14Å; F244-M300 HydrophobicContact CD2-CE 3.12Å; F244-M300 HydrophobicContact CE1-CE 4.49Å; F244-M300 HydrophobicContact CE2-CE 3.53Å; F244-M300 HydrophobicContact CG-CE 3.46Å; F244-M300 VanDerWaalsContact CG-CE 3.46Å; F244-M300 HydrophobicContact CZ-CE 4.2Å; I247-M300 HydrophobicContact CG1-CB 3.96Å; I296-M300 HydrophobicContact CD1-CG 4.08Å; I296-M300 HydrophobicContact CD1-SD 4.29Å; I296-M300 HydrophobicContact CG1-CG 4.19Å; I296-M300 WeakPolarHBondContact O-CB 3.42Å; I296-M300 VanDerWaalsContact O-CG 3.25Å; I296-M300 WeakPolarHBondContact O-CG 3.24Å; I296-M300 PolarHBondContact O-N 3.49Å; K297-M300 PolarHBondContact O-N 2.75Å; M300-Q302 VanDerWaalsContact C-N 3.34Å; M300-Q302 PolarHBondContact O-N 2.62Å; M300-I303 HydrophobicContact CE-CB 4.5Å; M300-I303 HydrophobicContact CE-CG2 4.24Å; M300-I303 PolarHBondContact O-N 2.99Å; M300-I303 HydrophobicContact SD-CD1 4Å; M300-V304 WeakPolarHBondContact O-CB 3.29Å; M300-V304 WeakPolarHBondContact O-CG2 2.92Å; M300-V304 PolarHBondContact O-N 3.16Å
301R97.5Very high96.4Very high118 Ų11855.9 Ų55.945%0.44529%0.285SS..Hα-helixtrans-60-46.1174.5-168.5-178.5-66.2104.9-1.4110.7I247 K297 D298 A299 V304 H305I247-R301 HydrophobicContact CD1-CB 4.11Å; K297-R301 VanDerWaalsContact O-CB 3.31Å; K297-R301 WeakPolarHBondContact O-CB 3.1Å; K297-R301 PolarHBondContact O-N 2.75Å; D298-R301 PolarHBondContact O-N 2.76Å; D298-R301 IonicContact OD1-CZ 3.83Å; D298-R301 IonicContact OD1-NH1 3.15Å; D298-R301 PolarHBondContact OD1-NH1 3.43Å; A299-R301 VanDerWaalsContact C-N 3.33Å; A299-R301 PolarHBondContact O-N 2.68Å; R301-V304 PolarHBondContact O-N 3.31Å; R301-H305 WeakPolarHBondContact O-CB 3.39Å; R301-H305 PolarHBondContact O-CD2 3.07Å; R301-H305 PolarHBondContact O-N 3.25Å
302Q97.3Very high96.3Very high57 Ų5758.3 Ų58.327%0.26630%0.298SS..Hα-helixtrans-66.2-42.1176.8-167.2-88.70.300112H206 Y293 D298 A299 M300 V304 H305 G306H206-Q302 PolarHBondContact CE1-OE1 2.84Å; H206-Q302 PolarHBondContact NE2-OE1 3.06Å; Y293-Q302 HydrophobicContact CD1-CB 4.2Å; Y293-Q302 HydrophobicContact CE1-CB 3.57Å; Y293-Q302 HydrophobicContact CE1-CG 3.81Å; Y293-Q302 WeakPolarHBondContact OH-CG 3.3Å; D298-Q302 PolarHBondContact O-N 2.78Å; A299-Q302 PolarHBondContact O-N 2.87Å; M300-Q302 VanDerWaalsContact C-N 3.34Å; M300-Q302 PolarHBondContact O-N 2.62Å; Q302-V304 VanDerWaalsContact C-N 3.26Å; Q302-V304 PolarHBondContact O-N 3.49Å; Q302-H305 PolarHBondContact O-N 2.91Å; Q302-G306 VanDerWaalsContact O-CA 3.25Å; Q302-G306 WeakPolarHBondContact O-CA 3.36Å; Q302-G306 PolarHBondContact O-N 3.22Å
303I96.5Very high96.1Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-61.8-35.2-179.9-73.1169.8000112.3L173 R175 I180 H206 A299 M300L173-I303 HydrophobicContact CB-CD1 3.53Å; R175-I303 HydrophobicContact CB-CG2 4.25Å; R175-I303 WeakPolarHBondContact CB-O 3.38Å; R175-I303 VanDerWaalsContact CD-O 3.25Å; R175-I303 WeakPolarHBondContact CD-O 3.47Å; R175-I303 VanDerWaalsContact CG-O 3.31Å; R175-I303 WeakPolarHBondContact CG-O 3.42Å; I180-I303 HydrophobicContact CG1-CG2 4.43Å; I180-I303 HydrophobicContact CG2-CG2 3.86Å; H206-I303 WeakPolarHBondContact NE2-CG1 3.31Å; A299-I303 VanDerWaalsContact O-CG1 3.26Å; A299-I303 WeakPolarHBondContact O-CG1 3.22Å; A299-I303 PolarHBondContact O-N 3.33Å; M300-I303 HydrophobicContact CE-CB 4.5Å; M300-I303 HydrophobicContact CE-CG2 4.24Å; M300-I303 PolarHBondContact O-N 2.99Å; M300-I303 HydrophobicContact SD-CD1 4Å
304V94.8Very high96Very high11 Ų1154.1 Ų54.17%0.06729%0.288CS..Hα-helixtrans-85.5-39.1-178.3174.60000112.1R175 F244 I247 L248 M300 R301 Q302R175-V304 PolarHBondContact NH1-O 3.17Å; F244-V304 HydrophobicContact CD2-CG2 4.26Å; F244-V304 HydrophobicContact CE2-CG2 3.88Å; I247-V304 HydrophobicContact CG2-CB 3.66Å; I247-V304 HydrophobicContact CG2-CG1 4Å; I247-V304 HydrophobicContact CG2-CG2 3.73Å; L248-V304 HydrophobicContact CD2-CG1 3.68Å; L248-V304 HydrophobicContact CD2-CG2 3.94Å; L248-V304 HydrophobicContact CG-CG2 4.18Å; M300-V304 WeakPolarHBondContact O-CB 3.29Å; M300-V304 WeakPolarHBondContact O-CG2 2.92Å; M300-V304 PolarHBondContact O-N 3.16Å; R301-V304 PolarHBondContact O-N 3.31Å; Q302-V304 VanDerWaalsContact C-N 3.26Å; Q302-V304 PolarHBondContact O-N 3.49Å
305H92.8Very high95.8Very high130 Ų13054 Ų5460%0.60228%0.283SS*.Hα-helixtrans-110.8-11.8-169.8-59.4-62.1000115.4R301 Q302R301-H305 WeakPolarHBondContact O-CB 3.39Å; R301-H305 PolarHBondContact O-CD2 3.07Å; R301-H305 PolarHBondContact O-N 3.25Å; Q302-H305 PolarHBondContact O-N 2.91Å
306G85.3Confident95.6Very high73 Ų7353.9 Ų53.975%0.75328%0.282SS*.  trans-82.80172.300000112.2R175 Q302R175-G306 PolarHBondContact NH1-OXT 2.96Å; Q302-G306 VanDerWaalsContact O-CA 3.25Å; Q302-G306 WeakPolarHBondContact O-CA 3.36Å; Q302-G306 PolarHBondContact O-N 3.22Å

Retrieved 306 of 306 residues in 115.5 ms (Link to these results)

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