A0A060XIT4_ONCMY Loading...

Ras-related protein Rab-7a

AlphaFold DB (A0A674DER9), UniProt , Accession A0A060XIT4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 207 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
1M38.9Very low76.9Confident241 Ų241106.4 Ų106.4100%1.18752%0.521SS*.  0105.60-68.8175.4-170.300106.9S3M1-S3 PolarHBondContact O-N 3.24Å
2T45.9Very low78.6Confident140 Ų14097.5 Ų97.586%0.85948%0.478SS*.  trans-63.4118.9174.429.30000108.1R4T2-R4 PolarHBondContact O-N 3.01Å
3S55.3Low80.1Confident114 Ų11490.1 Ų90.180%0.79744%0.442SS*.  trans-54.9109.4172.6171.20000108.2M1 K5M1-S3 PolarHBondContact O-N 3.24Å; S3-K5 PolarHBondContact O-N 2.87Å; S3-K5 VanDerWaalsContact O-N 3.09Å
4R63.8Low81.4Confident229 Ų22983.6 Ų83.686%0.86441%0.41SS*.  trans-64.9111.3170.5-83.5-176.3174.4178.3-3106.7T2 K6T2-R4 PolarHBondContact O-N 3.01Å; R4-K6 PolarHBondContact O-N 3.18Å
5K75.9Confident82.4Confident139 Ų13978.1 Ų78.160%0.60438%0.383SS*.PPolyproline II helixtrans-54.2124.8175.5-170.1-178.5-179.7-171.40108.5S3 V7 E181S3-K5 PolarHBondContact O-N 2.87Å; S3-K5 VanDerWaalsContact O-N 3.09Å; K5-V7 PolarHBondContact O-N 3.09Å; K5-E181 IonicContact NZ-OE1 3.39Å; K5-E181 PolarHBondContact NZ-OE1 3.22Å
6K83.4Confident83.3Confident179 Ų17975.2 Ų75.278%0.77837%0.369SS*.PPolyproline II helixtrans-69.4123.7173.2-69.7-173.1178.2-171.30108.1R4R4-K6 PolarHBondContact O-N 3.18Å
7V93.5Very high83.9Confident3 Ų373.6 Ų73.62%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-87.2126.9175.9-176.30000108.9K5 L9 V57 T58 L174 E177K5-V7 PolarHBondContact O-N 3.09Å; V7-L9 HydrophobicContact CG1-CD2 3.54Å; V7-L9 HydrophobicContact CG1-CG 4.03Å; V7-V57 HydrophobicContact CB-CB 4.26Å; V7-V57 HydrophobicContact CB-CG1 3.95Å; V7-V57 HydrophobicContact CG1-CG1 4.24Å; V7-V57 HydrophobicContact CG2-CG1 4.47Å; V7-T58 PolarHBondContact O-N 3.05Å; V7-L174 HydrophobicContact CG1-CD1 3.93Å; V7-E177 HydrophobicContact CG1-CG 4.34Å
8L95.9Very high84.5Confident94 Ų9471.4 Ų71.449%0.49237%0.366SS..EExtended strand (participates in β ladder)trans-110.8120.6173.6-173.1154000108T58 Q60L8-T58 CarbonylContact C-O 3.27Å; L8-T58 WeakPolarHBondContact CA-O 3.49Å; L8-Q60 HydrophobicContact CD2-CB 4.09Å
9L97.6Very high85.2Confident0 Ų067.6 Ų67.60%035%0.347CS..EExtended strand (participates in β ladder)trans-106.8114.1-179.2-57.8179.6000109.7V7 V57 T58 M59 Q60 D82 A173 L174 E177V7-L9 HydrophobicContact CG1-CD2 3.54Å; V7-L9 HydrophobicContact CG1-CG 4.03Å; L9-V57 HydrophobicContact CD1-CB 4.04Å; L9-V57 HydrophobicContact CD1-CG1 4.45Å; L9-V57 HydrophobicContact CD1-CG2 3.65Å; L9-V57 HydrophobicContact CG-CB 4.37Å; L9-V57 HydrophobicContact CG-CG2 4.42Å; L9-T58 PolarHBondContact N-O 3.26Å; L9-M59 CarbonylContact O-C 3.55Å; L9-M59 WeakPolarHBondContact O-CA 3.27Å; L9-Q60 PolarHBondContact O-N 3.21Å; L9-D82 WeakPolarHBondContact CA-OD2 3.39Å; L9-A173 HydrophobicContact CB-CB 4.14Å; L9-A173 HydrophobicContact CD1-CB 4.09Å; L9-A173 HydrophobicContact CD2-CB 4.4Å; L9-A173 HydrophobicContact CG-CB 4.44Å; L9-L174 HydrophobicContact CD1-CB 3.98Å; L9-L174 HydrophobicContact CD2-CB 4.41Å; L9-L174 HydrophobicContact CD2-CD1 4.36Å; L9-E177 HydrophobicContact CD2-CB 3.79Å; L9-E177 HydrophobicContact CD2-CG 4.16Å
10K97.6Very high85.8Confident31 Ų3164.8 Ų64.814%0.13534%0.335CS..EExtended strand (participates in β ladder)trans-89114.3179.6-176.4171.7175.5-173.30110.6I12 F77 R79 D82 C83K10-I12 HydrophobicContact CG-CD1 4.29Å; K10-F77 WeakPolarHBondContact CE-O 3.49Å; K10-F77 PolarHBondContact NZ-O 3.25Å; K10-R79 PolarHBondContact NZ-O 3.39Å; K10-D82 PolarHBondContact N-OD2 3.23Å; K10-D82 PolarHBondContact O-N 2.73Å; K10-C83 PolarHBondContact O-N 3.2Å
11V98.3Very high86.4Confident0 Ų062.2 Ų62.20%032%0.321CS..EExtended strand (participates in β ladder)trans-114.4128.7-179177.80000109.5M59 Q60 W62 C83 V85 I169 A173V11-M59 HydrophobicContact CG2-CE 3.77Å; V11-Q60 PolarHBondContact N-O 3.42Å; V11-W62 PolarHBondContact O-N 2.99Å; V11-C83 WeakPolarHBondContact CA-O 3.38Å; V11-C83 HydrophobicContact CG2-CB 4.46Å; V11-V85 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CB-CG2 4.4Å; V11-I169 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CG2-CG2 3.8Å; V11-A173 HydrophobicContact CG2-CB 4.45Å
12I97.8Very high89.1Confident0 Ų052.9 Ų52.90%028%0.278CS..EExtended strand (participates in β ladder)trans-106.5129.9177.1-52-56.8000109.8K10 L14 W62 T64 Y78 A81 C83 C84 V85 F106K10-I12 HydrophobicContact CG-CD1 4.29Å; I12-L14 HydrophobicContact CG2-CD2 3.61Å; I12-L14 HydrophobicContact CG2-CG 3.93Å; I12-W62 HydrophobicContact CD1-CB 3.57Å; I12-W62 HydrophobicContact CD1-CD2 4.46Å; I12-W62 HydrophobicContact CD1-CG 3.64Å; I12-T64 HydrophobicContact CG2-CG2 4.02Å; I12-Y78 HydrophobicContact CG2-CD1 3.99Å; I12-Y78 HydrophobicContact CG2-CE1 4.06Å; I12-A81 HydrophobicContact CD1-CB 4.4Å; I12-A81 HydrophobicContact CG1-CB 3.59Å; I12-C83 PolarHBondContact N-O 2.91Å; I12-C84 CarbonylContact O-C 3.38Å; I12-C84 WeakPolarHBondContact O-CA 3.37Å; I12-V85 PolarHBondContact O-N 2.95Å; I12-F106 HydrophobicContact CB-CE2 4.32Å; I12-F106 HydrophobicContact CG1-CE2 4.2Å
13I98.1Very high91.6Very high1 Ų147.9 Ų47.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-104.1119.1174-50.1-178.9000109.5K21 M25 I61 W62 T64 V85 V87 F166I13-K21 HydrophobicContact CG2-CB 3.78Å; I13-K21 HydrophobicContact CG2-CD 3.97Å; I13-K21 HydrophobicContact CG2-CG 3.8Å; I13-M25 HydrophobicContact CD1-CB 4.16Å; I13-I61 HydrophobicContact CD1-CG2 3.51Å; I13-I61 HydrophobicContact CG1-CG2 3.99Å; I13-W62 PolarHBondContact N-O 3.48Å; I13-T64 PolarHBondContact O-OG1 2.94Å; I13-V85 WeakPolarHBondContact CA-O 3.38Å; I13-V85 HydrophobicContact CB-CB 4.48Å; I13-V85 HydrophobicContact CG1-CB 4.22Å; I13-V85 HydrophobicContact CG1-CG2 4.45Å; I13-V85 HydrophobicContact CG2-CB 4.34Å; I13-V85 HydrophobicContact CG2-CG1 4.43Å; I13-V87 HydrophobicContact CG2-CG2 3.47Å; I13-V87 VanDerWaalsContact CG2-CG2 3.47Å; I13-F166 HydrophobicContact CD1-CE1 4.43Å; I13-F166 HydrophobicContact CD1-CZ 4.05Å
14L97.3Very high93.6Very high0 Ų042.5 Ų42.50%021%0.211CC..EExtended strand (participates in β ladder)trans-119163.8179.1-57-174.7000111.8I12 K21 T64 Y78 V85 L86 V87 W102 F106I12-L14 HydrophobicContact CG2-CD2 3.61Å; I12-L14 HydrophobicContact CG2-CG 3.93Å; L14-K21 VanDerWaalsContact C-CD 3.45Å; L14-T64 HydrophobicContact CD2-CG2 3.87Å; L14-T64 VanDerWaalsContact CD2-OG1 3.29Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.26Å; L14-Y78 HydrophobicContact CD1-CE2 4.11Å; L14-Y78 HydrophobicContact CD2-CE1 3.73Å; L14-Y78 HydrophobicContact CD2-CE2 4.48Å; L14-Y78 VanDerWaalsContact CD2-OH 3.29Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.41Å; L14-V85 PolarHBondContact N-O 3.47Å; L14-L86 HydrophobicContact CB-CD2 4.13Å; L14-V87 PolarHBondContact O-N 2.85Å; L14-W102 HydrophobicContact CB-CD2 4.29Å; L14-W102 HydrophobicContact CB-CE3 3.93Å; L14-W102 HydrophobicContact CB-CZ3 4.44Å; L14-W102 HydrophobicContact CD1-CE3 4.2Å; L14-W102 HydrophobicContact CD2-CE3 4.47Å; L14-W102 HydrophobicContact CD2-CZ3 4.35Å; L14-W102 HydrophobicContact CG-CE3 4.43Å; L14-F106 HydrophobicContact CD1-CB 3.78Å; L14-F106 HydrophobicContact CD1-CD2 4.02Å; L14-F106 HydrophobicContact CD1-CG 4.3Å
15G97.1Very high95.3Very high0 Ų031.9 Ų31.90%017%0.171CC..  trans139.5166.6-177.100000112.2K21 G66 V87 W102G15-K21 PolarHBondContact O-NZ 2.92Å; G15-G66 WeakPolarHBondContact O-CA 2.97Å; G15-V87 WeakPolarHBondContact CA-O 3.41Å; G15-W102 VanDerWaalsContact C-CE2 3.43Å; G15-W102 VanDerWaalsContact C-CZ2 3.41Å; G15-W102 WeakPolarHBondContact O-CZ2 3.26Å
16D96Very high96.3Very high32 Ų3227.6 Ų27.617%0.17116%0.155CC..  trans-60.1163.8-174.8-73.814.6000113.4G18 V19 K21 T95 T98 W102D16-G18 PolarHBondContact O-N 3.4Å; D16-V19 HydrophobicContact CB-CG1 3.77Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.35Å; D16-K21 PolarHBondContact O-NZ 2.61Å; D16-T95 HydrophobicContact CB-CG2 3.93Å; D16-T95 WeakPolarHBondContact OD2-CA 3.23Å; D16-T98 VanDerWaalsContact CG-OG1 3.23Å; D16-T98 WeakPolarHBondContact OD1-CB 3.44Å; D16-T98 PolarHBondContact OD1-OG1 2.57Å; D16-T98 PolarHBondContact OD2-OG1 3.27Å; D16-W102 PolarHBondContact OD1-NE1 3.47Å
17S94.1Very high97Very high49 Ų4920 Ų2034%0.34312%0.122SC..THydrogen-bonded Turntrans-58.7134.9171.1-174.20000111.1V19 Y37 G66 Q67S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.41Å; S17-Y37 PolarHBondContact OG-OH 2.86Å; S17-G66 PolarHBondContact N-O 3.34Å; S17-G66 VanDerWaalsContact N-O 3.1Å; S17-Q67 WeakPolarHBondContact OG-CG 3.37Å
18G94.8Very high97.2Very high33 Ų3319.8 Ų19.834%0.3412%0.121SC..THydrogen-bonded Turntrans79.6-0.9173.600000115.9D16 G20 K126D16-G18 PolarHBondContact O-N 3.4Å; G18-G20 PolarHBondContact O-N 2.87Å; G18-K126 VanDerWaalsContact O-CE 3.24Å; G18-K126 WeakPolarHBondContact O-CE 3.49Å; G18-K126 PolarHBondContact O-NZ 3.23Å
19V97.4Very high97.3Very high0 Ų016.8 Ų16.80%011%0.107CC..SBendtrans-67.3-19.5176.1-57.90000113.4D16 S17 K21 V87 D89 T95 N125 K126D16-V19 HydrophobicContact CB-CG1 3.77Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.35Å; S17-V19 VanDerWaalsContact C-N 3.29Å; S17-V19 PolarHBondContact O-N 3.41Å; V19-K21 HydrophobicContact CG2-CD 4.42Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V87 HydrophobicContact CB-CG1 4.24Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.74Å; V19-D89 HydrophobicContact CB-CB 4.39Å; V19-D89 HydrophobicContact CG1-CB 4.26Å; V19-T95 HydrophobicContact CG1-CG2 3.76Å; V19-N125 PolarHBondContact O-ND2 3.36Å; V19-K126 WeakPolarHBondContact O-CE 3.42Å
20G97.6Very high97.2Very high11 Ų1120.2 Ų20.211%0.11313%0.125CC..SBendtrans10723.1174.400000115.9G18 S23 L24G18-G20 PolarHBondContact O-N 2.87Å; G20-S23 WeakPolarHBondContact O-CB 3.34Å; G20-S23 PolarHBondContact O-N 3.02Å; G20-S23 VanDerWaalsContact O-N 3.17Å; G20-L24 WeakPolarHBondContact O-CG 3.41Å; G20-L24 PolarHBondContact O-N 3.45Å
21K97.4Very high97.2Very high10 Ų1024.6 Ų24.64%0.04314%0.144CC..Hα-helixtrans-51.5-56.4175.9-56.8-170.9-60.2-76.20112.9I13 L14 G15 D16 V19 S23 L24 M25 D63 T64 V87I13-K21 HydrophobicContact CG2-CB 3.78Å; I13-K21 HydrophobicContact CG2-CD 3.97Å; I13-K21 HydrophobicContact CG2-CG 3.8Å; L14-K21 VanDerWaalsContact C-CD 3.45Å; G15-K21 PolarHBondContact O-NZ 2.92Å; D16-K21 PolarHBondContact O-NZ 2.61Å; V19-K21 HydrophobicContact CG2-CD 4.42Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.08Å; K21-L24 PolarHBondContact O-N 3.36Å; K21-L24 VanDerWaalsContact O-N 3.17Å; K21-M25 PolarHBondContact O-N 3Å; K21-D63 WeakPolarHBondContact CB-OD1 3.44Å; K21-T64 WeakPolarHBondContact CE-O 3.31Å; K21-V87 HydrophobicContact CG-CB 4.13Å; K21-V87 HydrophobicContact CG-CG2 4.22Å
22T96.8Very high97Very high46 Ų4631.5 Ų31.528%0.28217%0.174SC..Hα-helixtrans-58.2-38.2176.4-39.30000112.5N26 T40 D63T22-N26 WeakPolarHBondContact O-CB 3.49Å; T22-N26 PolarHBondContact O-N 3.01Å; T22-N26 PolarHBondContact O-ND2 3.37Å; T22-T40 PolarHBondContact OG1-OG1 3.49Å; T22-T40 VanDerWaalsContact OG1-OG1 3.07Å; T22-D63 VanDerWaalsContact CB-OD2 3.28Å; T22-D63 WeakPolarHBondContact CB-OD2 3.41Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.45Å; T22-D63 PolarHBondContact N-OD1 3.47Å; T22-D63 PolarHBondContact OG1-OD1 2.92Å; T22-D63 PolarHBondContact OG1-OD2 3.42Å
23S97.8Very high96.8Very high35 Ų3535.1 Ų35.125%0.24519%0.19CC..Hα-helixtrans-69.4-41178.4-54.70000111.8G20 K21 Q27G20-S23 WeakPolarHBondContact O-CB 3.34Å; G20-S23 PolarHBondContact O-N 3.02Å; G20-S23 VanDerWaalsContact O-N 3.17Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.08Å; S23-Q27 WeakPolarHBondContact O-CB 3.43Å; S23-Q27 PolarHBondContact O-N 3.02Å
24L98.6Very high96.5Very high1 Ų138.3 Ų38.31%0.00521%0.213CC..Hα-helixtrans-63.8-46.7175.2-74.9165.6000111.2G20 K21 Q27 Y28 V87 L123 N125 A156 V162 F166G20-L24 WeakPolarHBondContact O-CG 3.41Å; G20-L24 PolarHBondContact O-N 3.45Å; K21-L24 PolarHBondContact O-N 3.36Å; K21-L24 VanDerWaalsContact O-N 3.17Å; L24-Q27 PolarHBondContact O-N 3.4Å; L24-Y28 WeakPolarHBondContact O-CB 3.43Å; L24-Y28 PolarHBondContact O-N 3.28Å; L24-V87 HydrophobicContact CD1-CG1 3.71Å; L24-V87 HydrophobicContact CD1-CG2 4.11Å; L24-L123 HydrophobicContact CD1-CD1 3.9Å; L24-N125 HydrophobicContact CD1-CB 4.21Å; L24-A156 HydrophobicContact CD2-CB 3.9Å; L24-A156 HydrophobicContact CG-CB 4.05Å; L24-V162 HydrophobicContact CD2-CG2 4.02Å; L24-F166 HydrophobicContact CB-CE2 4.47Å
25M97.7Very high96Very high5 Ų545 Ų453%0.02525%0.248CC..Hα-helixtrans-58.3-50.8176.1-176.8-17967.200111.1I13 K21 Q27 Y28 V29 L46 I61 D63I13-M25 HydrophobicContact CD1-CB 4.16Å; K21-M25 PolarHBondContact O-N 3Å; M25-Q27 PolarHBondContact O-N 3.37Å; M25-Y28 PolarHBondContact O-N 3.45Å; M25-V29 WeakPolarHBondContact O-CB 3.43Å; M25-V29 WeakPolarHBondContact O-CG2 3.35Å; M25-V29 PolarHBondContact O-N 2.97Å; M25-L46 HydrophobicContact CE-CD1 3.99Å; M25-L46 HydrophobicContact CE-CG 3.96Å; M25-L46 HydrophobicContact CG-CB 4.37Å; M25-L46 HydrophobicContact CG-CD1 4.13Å; M25-L46 HydrophobicContact CG-CG 4.45Å; M25-L46 HydrophobicContact SD-CB 4.14Å; M25-L46 HydrophobicContact SD-CD1 4.32Å; M25-L46 HydrophobicContact SD-CG 4.09Å; M25-I61 HydrophobicContact CB-CG2 4.46Å; M25-I61 HydrophobicContact CG-CB 4.33Å; M25-I61 HydrophobicContact CG-CG2 3.85Å; M25-I61 HydrophobicContact SD-CB 4.41Å; M25-I61 HydrophobicContact SD-CG2 4.1Å; M25-I61 VanDerWaalsContact SD-O 3.34Å; M25-D63 HydrophobicContact CE-CB 3.55Å; M25-D63 HydrophobicContact SD-CB 3.73Å
26N97.1Very high95.5Very high49 Ų4951.8 Ų51.826%0.26228%0.28SS..Hα-helixtrans-65.6-37.1178.8-82.1-61.9000113T22 Y28 N30 K31 K32T22-N26 WeakPolarHBondContact O-CB 3.49Å; T22-N26 PolarHBondContact O-N 3.01Å; T22-N26 PolarHBondContact O-ND2 3.37Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; N26-N30 CarbonylContact O-C 3.58Å; N26-N30 WeakPolarHBondContact O-CA 3.22Å; N26-N30 WeakPolarHBondContact O-CB 3.46Å; N26-N30 PolarHBondContact O-N 3.45Å; N26-N30 PolarHBondContact OD1-ND2 3.47Å; N26-N30 VanDerWaalsContact OD1-ND2 3.08Å; N26-K31 PolarHBondContact O-N 3.29Å; N26-K32 CarbonylContact C-O 3.58Å
27Q98.1Very high94.8Very high19 Ų1956.6 Ų56.69%0.08930%0.297CS..Hα-helixtrans-67.3-38.5177.4-17766.6-45.400111.2S23 L24 M25 K31 K32 A156 A159 V162S23-Q27 WeakPolarHBondContact O-CB 3.43Å; S23-Q27 PolarHBondContact O-N 3.02Å; L24-Q27 PolarHBondContact O-N 3.4Å; M25-Q27 PolarHBondContact O-N 3.37Å; Q27-K31 WeakPolarHBondContact O-CA 3.47Å; Q27-K31 WeakPolarHBondContact O-CD 3.47Å; Q27-K31 PolarHBondContact O-N 3.46Å; Q27-K32 PolarHBondContact N-O 3.46Å; Q27-A156 VanDerWaalsContact CG-O 3.27Å; Q27-A156 WeakPolarHBondContact CG-O 3.32Å; Q27-A156 PolarHBondContact NE2-O 3.09Å; Q27-A159 HydrophobicContact CG-CB 4.31Å; Q27-V162 HydrophobicContact CG-CG1 4.4Å; Q27-V162 HydrophobicContact CG-CG2 4.28Å
28Y98.3Very high94.2Very high0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-69.5-46.5177.5178.9-117.4000112.8L24 M25 N26 K48 M59 I61 V162 E163 F166L24-Y28 WeakPolarHBondContact O-CB 3.43Å; L24-Y28 PolarHBondContact O-N 3.28Å; M25-Y28 PolarHBondContact O-N 3.45Å; N26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-K48 HydrophobicContact CD1-CD 3.82Å; Y28-K48 HydrophobicContact CE1-CB 4.44Å; Y28-K48 HydrophobicContact CE1-CD 3.36Å; Y28-K48 HydrophobicContact CE1-CG 4.49Å; Y28-K48 HydrophobicContact CE2-CD 4.19Å; Y28-K48 HydrophobicContact CG-CD 4.42Å; Y28-K48 PolarHBondContact O-NZ 3.08Å; Y28-M59 HydrophobicContact CE1-SD 4.1Å; Y28-I61 HydrophobicContact CD1-CD1 3.57Å; Y28-I61 HydrophobicContact CE1-CD1 3.72Å; Y28-V162 HydrophobicContact CD2-CG1 4.43Å; Y28-E163 VanDerWaalsContact CE2-OE1 3.32Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.29Å; Y28-F166 HydrophobicContact CD1-CB 4Å; Y28-F166 AromaticContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD1 3.45Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD2 4.1Å; Y28-F166 AromaticContact CD1-CE1 3.87Å; Y28-F166 HydrophobicContact CD1-CE1 3.87Å; Y28-F166 HydrophobicContact CD1-CE2 4.46Å; Y28-F166 AromaticContact CD1-CG 3.58Å; Y28-F166 HydrophobicContact CD1-CG 3.58Å; Y28-F166 HydrophobicContact CD1-CZ 4.35Å; Y28-F166 HydrophobicContact CD2-CB 3.53Å; Y28-F166 HydrophobicContact CD2-CD1 4.41Å; Y28-F166 AromaticContact CD2-CD2 3.85Å; Y28-F166 HydrophobicContact CD2-CD2 3.85Å; Y28-F166 AromaticContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CE1-CB 3.74Å; Y28-F166 AromaticContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CE1 4.37Å; Y28-F166 AromaticContact CE1-CG 3.77Å; Y28-F166 HydrophobicContact CE1-CG 3.77Å; Y28-F166 HydrophobicContact CE2-CB 3.25Å; Y28-F166 HydrophobicContact CE2-CD2 4.47Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.89Å; Y28-F166 AromaticContact CG-CD1 3.88Å; Y28-F166 HydrophobicContact CG-CD1 3.88Å; Y28-F166 AromaticContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CE1 4.31Å; Y28-F166 HydrophobicContact CG-CE2 4.08Å; Y28-F166 AromaticContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CZ 4.39Å; Y28-F166 AromaticContact CZ-CG 3.93Å
29V97.4Very high93.6Very high30 Ų3062.2 Ų62.218%0.18231%0.313CS..Hα-helixtrans-82.6-51.1-174.2-178.90000111.9M25 L46 K48 I61M25-V29 WeakPolarHBondContact O-CB 3.43Å; M25-V29 WeakPolarHBondContact O-CG2 3.35Å; M25-V29 PolarHBondContact O-N 2.97Å; V29-L46 HydrophobicContact CB-CB 4.45Å; V29-L46 HydrophobicContact CB-CD1 4.04Å; V29-L46 HydrophobicContact CG1-CB 4.2Å; V29-L46 HydrophobicContact CG1-CD1 4.14Å; V29-L46 HydrophobicContact CG2-CB 4.03Å; V29-L46 HydrophobicContact CG2-CD1 4.29Å; V29-K48 HydrophobicContact CG1-CB 4.49Å; V29-K48 HydrophobicContact CG2-CB 4.23Å; V29-I61 HydrophobicContact CG2-CD1 3.91Å
30N96.6Very high92.8Very high72 Ų7263.6 Ų63.639%0.38532%0.321SS..Hα-helixtrans-102.8-6-168.9-64.3-38.9000113.7N26 K32N26-N30 CarbonylContact O-C 3.58Å; N26-N30 WeakPolarHBondContact O-CA 3.22Å; N26-N30 WeakPolarHBondContact O-CB 3.46Å; N26-N30 PolarHBondContact O-N 3.45Å; N26-N30 PolarHBondContact OD1-ND2 3.47Å; N26-N30 VanDerWaalsContact OD1-ND2 3.08Å; N30-K32 HydrophobicContact CB-CB 4.21Å; N30-K32 HydrophobicContact CB-CD 4.26Å; N30-K32 HydrophobicContact CB-CG 4.33Å; N30-K32 WeakPolarHBondContact O-CG 3.29Å; N30-K32 PolarHBondContact O-N 2.77Å
31K96.7Very high92.1Very high123 Ų12368.8 Ų68.854%0.53535%0.345SS..SBendtrans52.237.8-172.1-54.8-67.5169.6-171.50111.9N26 Q27 E163N26-K31 PolarHBondContact O-N 3.29Å; Q27-K31 WeakPolarHBondContact O-CA 3.47Å; Q27-K31 WeakPolarHBondContact O-CD 3.47Å; Q27-K31 PolarHBondContact O-N 3.46Å; K31-E163 IonicContact NZ-OE2 3.68Å; K31-E163 PolarHBondContact NZ-OE2 3.43Å
32K94.4Very high91.3Very high146 Ų14668.7 Ų68.764%0.63535%0.346SS*.  trans-125.6139.2-177.3-75.4176.7-173178.80110.8N26 Q27 N30N26-K32 CarbonylContact C-O 3.58Å; Q27-K32 PolarHBondContact N-O 3.46Å; N30-K32 HydrophobicContact CB-CB 4.21Å; N30-K32 HydrophobicContact CB-CD 4.26Å; N30-K32 HydrophobicContact CB-CG 4.33Å; N30-K32 WeakPolarHBondContact O-CG 3.29Å; N30-K32 PolarHBondContact O-N 2.77Å
33F94.9Very high90.7Very high76 Ų7667.7 Ų67.733%0.33334%0.343SS..  trans-127.9145171.2177.3-98.3000110N35 A156 K157F33-N35 VanDerWaalsContact CE1-OD1 3.25Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.26Å; F33-A156 HydrophobicContact CD2-CB 4.33Å; F33-A156 HydrophobicContact CE2-CB 4.48Å; F33-K157 HydrophobicContact CD1-CB 4.27Å; F33-K157 HydrophobicContact CD1-CG 4.04Å; F33-K157 HydrophobicContact CD2-CB 4.27Å; F33-K157 HydrophobicContact CE1-CB 3.93Å; F33-K157 HydrophobicContact CE1-CD 4.33Å; F33-K157 HydrophobicContact CE1-CG 3.67Å; F33-K157 HydrophobicContact CE2-CB 3.95Å; F33-K157 HydrophobicContact CG-CB 4.42Å; F33-K157 HydrophobicContact CZ-CB 3.77Å; F33-K157 HydrophobicContact CZ-CD 4.5Å; F33-K157 HydrophobicContact CZ-CG 3.99Å
34S91.6Very high90.3Very high68 Ų6870.7 Ų70.748%0.47636%0.356SS..  trans-132.9134.6175.3177.70000109.6Q36S34-Q36 PolarHBondContact OG-N 2.7Å; S34-Q36 VanDerWaalsContact OG-N 3.17Å
35N86.3Confident90Very high139 Ų13974.6 Ų74.674%0.74337%0.373SS*.SBendtrans-75-15.4172.5-71.7-51.1000112.7F33 Y37F33-N35 VanDerWaalsContact CE1-OD1 3.25Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.26Å; N35-Y37 PolarHBondContact O-N 3.37Å
36Q85.3Confident90Very high143 Ų14376.4 Ų76.467%0.66838%0.383SS*.SBendtrans-75.5113.1179.5-67.5-178.21.300109.7S34 K38S34-Q36 PolarHBondContact OG-N 2.7Å; S34-Q36 VanDerWaalsContact OG-N 3.17Å; Q36-K38 PolarHBondContact O-N 3.34Å
37Y81.2Confident90Very high134 Ų13477.9 Ų77.953%0.52539%0.394SS..  trans-69.3123.2169.6176.8-100.1000110S17 N35 A39 Q67S17-Y37 PolarHBondContact OG-OH 2.86Å; N35-Y37 PolarHBondContact O-N 3.37Å; Y37-A39 HydrophobicContact CE1-CB 4.06Å; Y37-Q67 PolarHBondContact OH-NE2 2.88Å
38K82.5Confident89.9Confident162 Ų16279 Ų7970%0.70440%0.398SS*.  trans-123.9124.4166-68-174.6177.9-177.50107.3Q36 T40Q36-K38 PolarHBondContact O-N 3.34Å; K38-T40 PolarHBondContact O-N 3.11Å
39A82.9Confident89.9Confident38 Ų3884.9 Ų84.931%0.31443%0.426SS..  trans-67.8127.6177.500000109.9Y37Y37-A39 HydrophobicContact CE1-CB 4.06Å
40T80.9Confident89.8Confident29 Ų2983.9 Ų83.918%0.17842%0.42CS..  trans-68.2129.6169.8-49.70000109.1T22 K38 D63 A65T22-T40 PolarHBondContact OG1-OG1 3.49Å; T22-T40 VanDerWaalsContact OG1-OG1 3.07Å; K38-T40 PolarHBondContact O-N 3.11Å; T40-D63 PolarHBondContact OG1-OD2 2.96Å; T40-A65 WeakPolarHBondContact O-CB 3.35Å
41I81Confident89.7Confident120 Ų12085.1 Ų85.162%0.61542%0.424SS*.  trans-104.8120175.1-60175.2000107.2A43 F70I41-A43 PolarHBondContact O-N 3.07Å; I41-F70 HydrophobicContact CG1-CE2 4.5Å
42G81.3Confident89.6Confident7 Ų779.3 Ų79.37%0.07240%0.399CS..SBendtrans70.3-123-177.500000113A65G42-A65 WeakPolarHBondContact O-CB 3.27Å; G42-A65 PolarHBondContact O-N 3.13Å
43A85.3Confident89.3Confident25 Ų2577.6 Ų77.621%0.20740%0.397CS..EExtended strand (participates in β ladder)trans-140143.9175.300000110.5I41 W62 D63 T64 F77I41-A43 PolarHBondContact O-N 3.07Å; A43-W62 HydrophobicContact CB-CE3 4.15Å; A43-D63 VanDerWaalsContact CA-O 3.27Å; A43-D63 WeakPolarHBondContact CA-O 3.49Å; A43-T64 HydrophobicContact CB-CG2 4.4Å; A43-F77 HydrophobicContact CB-CD2 3.55Å; A43-F77 HydrophobicContact CB-CE2 3.88Å; A43-F77 HydrophobicContact CB-CG 4.36Å
44D88.3Confident89Confident99 Ų9981.2 Ų81.253%0.52942%0.42SS..EExtended strand (participates in β ladder)trans-130.9159.3172.4-165.68.1000108.4W62 D63D44-W62 CarbonylContact O-C 3.56Å; D44-W62 WeakPolarHBondContact O-CA 2.95Å; D44-D63 PolarHBondContact N-O 3.09Å; D44-D63 PolarHBondContact O-N 3.49Å
45F92.7Very high89Confident82 Ų8282.2 Ų82.236%0.3641%0.413SS..EExtended strand (participates in β ladder)trans-137.5147.9177.773.9-92.5000113.1T47 Q60 I61 W62F45-T47 HydrophobicContact CD2-CG2 4.23Å; F45-T47 HydrophobicContact CE2-CG2 4.13Å; F45-Q60 HydrophobicContact CB-CG 4.18Å; F45-Q60 HydrophobicContact CD2-CG 3.44Å; F45-Q60 VanDerWaalsContact CD2-CG 3.44Å; F45-Q60 HydrophobicContact CE2-CG 4Å; F45-Q60 VanDerWaalsContact CE2-NE2 3.27Å; F45-Q60 HydrophobicContact CG-CG 3.89Å; F45-I61 CarbonylContact C-O 3.53Å; F45-I61 WeakPolarHBondContact CA-O 3.44Å; F45-I61 VanDerWaalsContact CB-O 3.32Å; F45-I61 WeakPolarHBondContact CB-O 3.5Å; F45-W62 HydrophobicContact CB-CD2 3.8Å; F45-W62 HydrophobicContact CB-CE3 4.13Å; F45-W62 HydrophobicContact CB-CG 3.97Å; F45-W62 HydrophobicContact CD1-CD2 4.33Å; F45-W62 HydrophobicContact CD1-CE3 4.2Å; F45-W62 AromaticContact CD1-CH2 3.66Å; F45-W62 HydrophobicContact CD1-CH2 3.66Å; F45-W62 AromaticContact CD1-CZ2 3.79Å; F45-W62 HydrophobicContact CD1-CZ2 3.79Å; F45-W62 AromaticContact CD1-CZ3 3.87Å; F45-W62 HydrophobicContact CD1-CZ3 3.87Å; F45-W62 HydrophobicContact CE1-CH2 4.1Å; F45-W62 HydrophobicContact CE1-CZ2 4.27Å; F45-W62 HydrophobicContact CG-CD2 4.36Å; F45-W62 HydrophobicContact CG-CZ2 4.28Å
46L96.4Very high89.4Confident44 Ų4480.2 Ų80.223%0.2340%0.402CS..EExtended strand (participates in β ladder)trans-116.3151.6167.8-67.3-178.5000110.1M25 V29 I61M25-L46 HydrophobicContact CE-CD1 3.99Å; M25-L46 HydrophobicContact CE-CG 3.96Å; M25-L46 HydrophobicContact CG-CB 4.37Å; M25-L46 HydrophobicContact CG-CD1 4.13Å; M25-L46 HydrophobicContact CG-CG 4.45Å; M25-L46 HydrophobicContact SD-CB 4.14Å; M25-L46 HydrophobicContact SD-CD1 4.32Å; M25-L46 HydrophobicContact SD-CG 4.09Å; V29-L46 HydrophobicContact CB-CB 4.45Å; V29-L46 HydrophobicContact CB-CD1 4.04Å; V29-L46 HydrophobicContact CG1-CB 4.2Å; V29-L46 HydrophobicContact CG1-CD1 4.14Å; V29-L46 HydrophobicContact CG2-CB 4.03Å; V29-L46 HydrophobicContact CG2-CD1 4.29Å; L46-I61 PolarHBondContact N-O 3.46Å; L46-I61 PolarHBondContact O-N 3.06Å
47T97.2Very high89.9Confident80 Ų8073.4 Ų73.449%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-107.5145.6173.355.30000111.4F45 M59 Q60F45-T47 HydrophobicContact CD2-CG2 4.23Å; F45-T47 HydrophobicContact CE2-CG2 4.13Å; T47-M59 CarbonylContact C-O 3.57Å; T47-M59 WeakPolarHBondContact CA-O 3.48Å; T47-Q60 HydrophobicContact CG2-CG 4.39Å
48K97.1Very high90.7Very high41 Ų4168.6 Ų68.618%0.17836%0.355CS..EExtended strand (participates in β ladder)trans-144.5130.4171.6-165.7-172.4179.4-177.20109.6Y28 V29 M59 E163Y28-K48 HydrophobicContact CD1-CD 3.82Å; Y28-K48 HydrophobicContact CE1-CB 4.44Å; Y28-K48 HydrophobicContact CE1-CD 3.36Å; Y28-K48 HydrophobicContact CE1-CG 4.49Å; Y28-K48 HydrophobicContact CE2-CD 4.19Å; Y28-K48 HydrophobicContact CG-CD 4.42Å; Y28-K48 PolarHBondContact O-NZ 3.08Å; V29-K48 HydrophobicContact CG1-CB 4.49Å; V29-K48 HydrophobicContact CG2-CB 4.23Å; K48-M59 PolarHBondContact N-O 3.38Å; K48-M59 PolarHBondContact O-N 3.4Å; K48-E163 IonicContact NZ-OE1 3.92Å; K48-E163 PolarHBondContact NZ-OE1 3Å; K48-E163 IonicContact NZ-OE2 3.34Å
49E97.1Very high91.4Very high124 Ų12460.9 Ų60.958%0.57932%0.321SS*.EExtended strand (participates in β ladder)trans-76.2134.2167.5-66.9-170.716100109.5L56 V57E49-L56 HydrophobicContact CB-CD1 4.2Å; E49-V57 WeakPolarHBondContact CA-O 3.26Å
50V95.8Very high92.2Very high9 Ų960.5 Ų60.56%0.05531%0.313CS..EExtended strand (participates in β ladder)trans-138.9141.3-179.462.40000109.5V52 V57 M59 A170V50-V52 HydrophobicContact CG1-CG2 3.96Å; V50-V52 HydrophobicContact CG2-CG2 4.21Å; V50-V57 HydrophobicContact CG1-CG2 3.41Å; V50-V57 VanDerWaalsContact CG1-CG2 3.41Å; V50-V57 PolarHBondContact N-O 3.13Å; V50-V57 PolarHBondContact O-N 3.18Å; V50-M59 HydrophobicContact CB-SD 4.45Å; V50-M59 HydrophobicContact CG1-CG 3.65Å; V50-M59 HydrophobicContact CG1-SD 3.68Å; V50-A170 HydrophobicContact CG1-CB 4.11Å
51M95Very high93Very high98 Ų9859.1 Ų59.148%0.48331%0.305SS..EExtended strand (participates in β ladder)trans-88.3119.7169.9-72.9-64.5-62.300108.6L56M51-L56 HydrophobicContact CG-CD1 4.17Å; M51-L56 HydrophobicContact SD-CB 3.66Å; M51-L56 HydrophobicContact SD-CD1 3.65Å; M51-L56 HydrophobicContact SD-CG 4.24Å
52V94.2Very high93.7Very high1 Ų154.5 Ų54.51%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-124.3114.2177-179.10000107.4V50 D54 R55 V57 A170 R171 L174V50-V52 HydrophobicContact CG1-CG2 3.96Å; V50-V52 HydrophobicContact CG2-CG2 4.21Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 2.84Å; V52-R55 PolarHBondContact N-O 2.87Å; V52-R55 WeakPolarHBondContact O-CA 3.32Å; V52-R55 WeakPolarHBondContact O-CB 3.3Å; V52-R55 PolarHBondContact O-N 2.91Å; V52-V57 HydrophobicContact CG2-CG2 3.91Å; V52-A170 HydrophobicContact CG2-CB 3.56Å; V52-R171 HydrophobicContact CG1-CB 3.99Å; V52-R171 HydrophobicContact CG1-CG 4.29Å; V52-L174 HydrophobicContact CB-CD2 4.2Å; V52-L174 HydrophobicContact CG1-CD2 3.93Å
53D88.8Confident94.3Very high110 Ų11054.3 Ų54.359%0.58828%0.277SS*.THydrogen-bonded Turntrans4751.2177.6-50.7-29.2000112.2R55 R171D53-R55 PolarHBondContact O-N 3.08Å; D53-R171 IonicContact OD1-NE 3.57Å; D53-R171 IonicContact OD1-NH2 2.7Å; D53-R171 IonicContact OD2-NE 2.61Å; D53-R171 PolarHBondContact OD2-NE 3.01Å
54D88.4Confident94.5Very high153 Ų15353.1 Ų53.182%0.81827%0.267SS*.THydrogen-bonded Turntrans64.78.6-177.2-58.1-43.9000116.8V52V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 2.84Å
55R91.6Very high94.4Very high89 Ų8948.5 Ų48.534%0.33624%0.242SC..EExtended strand (participates in β ladder)trans-103.1123.9171.8-163173.9-175.5-178.8-2.8110.3V52 D53 V57 L174V52-R55 PolarHBondContact N-O 2.87Å; V52-R55 WeakPolarHBondContact O-CA 3.32Å; V52-R55 WeakPolarHBondContact O-CB 3.3Å; V52-R55 PolarHBondContact O-N 2.91Å; D53-R55 PolarHBondContact O-N 3.08Å; R55-V57 HydrophobicContact CB-CG1 4.43Å; R55-V57 HydrophobicContact CG-CG1 4.06Å; R55-V57 PolarHBondContact O-N 3.48Å; R55-L174 HydrophobicContact CB-CD2 4.47Å
56L94.3Very high93.6Very high96 Ų9645.1 Ų45.150%0.50323%0.231SC..EExtended strand (participates in β ladder)trans-77.4120.3170.2-173.166.2000109E49 M51E49-L56 HydrophobicContact CB-CD1 4.2Å; M51-L56 HydrophobicContact CG-CD1 4.17Å; M51-L56 HydrophobicContact SD-CB 3.66Å; M51-L56 HydrophobicContact SD-CD1 3.65Å; M51-L56 HydrophobicContact SD-CG 4.24Å
57V96.1Very high92.7Very high1 Ų145.3 Ų45.31%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-127.3153.8179.3-53.40000110.3V7 L9 E49 V50 V52 R55 L174V7-V57 HydrophobicContact CB-CB 4.26Å; V7-V57 HydrophobicContact CB-CG1 3.95Å; V7-V57 HydrophobicContact CG1-CG1 4.24Å; V7-V57 HydrophobicContact CG2-CG1 4.47Å; L9-V57 HydrophobicContact CD1-CB 4.04Å; L9-V57 HydrophobicContact CD1-CG1 4.45Å; L9-V57 HydrophobicContact CD1-CG2 3.65Å; L9-V57 HydrophobicContact CG-CB 4.37Å; L9-V57 HydrophobicContact CG-CG2 4.42Å; E49-V57 WeakPolarHBondContact CA-O 3.26Å; V50-V57 HydrophobicContact CG1-CG2 3.41Å; V50-V57 VanDerWaalsContact CG1-CG2 3.41Å; V50-V57 PolarHBondContact N-O 3.13Å; V50-V57 PolarHBondContact O-N 3.18Å; V52-V57 HydrophobicContact CG2-CG2 3.91Å; R55-V57 HydrophobicContact CB-CG1 4.43Å; R55-V57 HydrophobicContact CG-CG1 4.06Å; R55-V57 PolarHBondContact O-N 3.48Å; V57-L174 HydrophobicContact CG1-CD1 4.11Å; V57-L174 HydrophobicContact CG1-CD2 4.32Å
58T97.6Very high91.5Very high33 Ų3348.8 Ų48.820%0.20224%0.241CC..EExtended strand (participates in β ladder)trans-103.9113.8173.7-560000109V7 L8 L9V7-T58 PolarHBondContact O-N 3.05Å; L8-T58 CarbonylContact C-O 3.27Å; L8-T58 WeakPolarHBondContact CA-O 3.49Å; L9-T58 PolarHBondContact N-O 3.26Å
59M98.1Very high90.4Very high0 Ų055.8 Ų55.80%027%0.266CS..EExtended strand (participates in β ladder)trans-82.3129.9170.9-63.9178.880.900109.8L9 V11 Y28 T47 K48 V50 I61 F166 I169 A170L9-M59 CarbonylContact O-C 3.55Å; L9-M59 WeakPolarHBondContact O-CA 3.27Å; V11-M59 HydrophobicContact CG2-CE 3.77Å; Y28-M59 HydrophobicContact CE1-SD 4.1Å; T47-M59 CarbonylContact C-O 3.57Å; T47-M59 WeakPolarHBondContact CA-O 3.48Å; K48-M59 PolarHBondContact N-O 3.38Å; K48-M59 PolarHBondContact O-N 3.4Å; V50-M59 HydrophobicContact CB-SD 4.45Å; V50-M59 HydrophobicContact CG1-CG 3.65Å; V50-M59 HydrophobicContact CG1-SD 3.68Å; M59-I61 HydrophobicContact CB-CD1 4.4Å; M59-I61 HydrophobicContact CB-CG1 4.06Å; M59-I61 HydrophobicContact CE-CG1 4.49Å; M59-F166 HydrophobicContact CE-CD1 4.2Å; M59-I169 HydrophobicContact CE-CG2 3.94Å; M59-A170 HydrophobicContact CE-CB 3.88Å; M59-A170 HydrophobicContact CG-CB 4.36Å; M59-A170 HydrophobicContact SD-CB 3.61Å
60Q97.9Very high89.4Confident30 Ų3052.8 Ų52.814%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-103.8104.9165.3-169.4-174.84800108.1L8 L9 V11 F45 T47L8-Q60 HydrophobicContact CD2-CB 4.09Å; L9-Q60 PolarHBondContact O-N 3.21Å; V11-Q60 PolarHBondContact N-O 3.42Å; F45-Q60 HydrophobicContact CB-CG 4.18Å; F45-Q60 HydrophobicContact CD2-CG 3.44Å; F45-Q60 VanDerWaalsContact CD2-CG 3.44Å; F45-Q60 HydrophobicContact CE2-CG 4Å; F45-Q60 VanDerWaalsContact CE2-NE2 3.27Å; F45-Q60 HydrophobicContact CG-CG 3.89Å; T47-Q60 HydrophobicContact CG2-CG 4.39Å
61I98.1Very high88.2Confident0 Ų054.4 Ų54.40%026%0.259CS..EExtended strand (participates in β ladder)trans-101.5112.1-172.2-54.9166000108.1I13 M25 Y28 V29 F45 L46 M59 F166I13-I61 HydrophobicContact CD1-CG2 3.51Å; I13-I61 HydrophobicContact CG1-CG2 3.99Å; M25-I61 HydrophobicContact CB-CG2 4.46Å; M25-I61 HydrophobicContact CG-CB 4.33Å; M25-I61 HydrophobicContact CG-CG2 3.85Å; M25-I61 HydrophobicContact SD-CB 4.41Å; M25-I61 HydrophobicContact SD-CG2 4.1Å; M25-I61 VanDerWaalsContact SD-O 3.34Å; Y28-I61 HydrophobicContact CD1-CD1 3.57Å; Y28-I61 HydrophobicContact CE1-CD1 3.72Å; V29-I61 HydrophobicContact CG2-CD1 3.91Å; F45-I61 CarbonylContact C-O 3.53Å; F45-I61 WeakPolarHBondContact CA-O 3.44Å; F45-I61 VanDerWaalsContact CB-O 3.32Å; F45-I61 WeakPolarHBondContact CB-O 3.5Å; L46-I61 PolarHBondContact N-O 3.46Å; L46-I61 PolarHBondContact O-N 3.06Å; M59-I61 HydrophobicContact CB-CD1 4.4Å; M59-I61 HydrophobicContact CB-CG1 4.06Å; M59-I61 HydrophobicContact CE-CG1 4.49Å; I61-F166 HydrophobicContact CD1-CD1 4.11Å; I61-F166 HydrophobicContact CD1-CE1 3.82Å; I61-F166 HydrophobicContact CG1-CE1 4.38Å; I61-F166 HydrophobicContact CG2-CE1 4.05Å
62W96.3Very high87.3Confident22 Ų2254 Ų548%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-94.5117.6-179.2-66.476.2000110.4V11 I12 I13 A43 D44 F45 F77V11-W62 PolarHBondContact O-N 2.99Å; I12-W62 HydrophobicContact CD1-CB 3.57Å; I12-W62 HydrophobicContact CD1-CD2 4.46Å; I12-W62 HydrophobicContact CD1-CG 3.64Å; I13-W62 PolarHBondContact N-O 3.48Å; A43-W62 HydrophobicContact CB-CE3 4.15Å; D44-W62 CarbonylContact O-C 3.56Å; D44-W62 WeakPolarHBondContact O-CA 2.95Å; F45-W62 HydrophobicContact CB-CD2 3.8Å; F45-W62 HydrophobicContact CB-CE3 4.13Å; F45-W62 HydrophobicContact CB-CG 3.97Å; F45-W62 HydrophobicContact CD1-CD2 4.33Å; F45-W62 HydrophobicContact CD1-CE3 4.2Å; F45-W62 AromaticContact CD1-CH2 3.66Å; F45-W62 HydrophobicContact CD1-CH2 3.66Å; F45-W62 AromaticContact CD1-CZ2 3.79Å; F45-W62 HydrophobicContact CD1-CZ2 3.79Å; F45-W62 AromaticContact CD1-CZ3 3.87Å; F45-W62 HydrophobicContact CD1-CZ3 3.87Å; F45-W62 HydrophobicContact CE1-CH2 4.1Å; F45-W62 HydrophobicContact CE1-CZ2 4.27Å; F45-W62 HydrophobicContact CG-CD2 4.36Å; F45-W62 HydrophobicContact CG-CZ2 4.28Å; W62-F77 HydrophobicContact CD2-CB 4.3Å; W62-F77 HydrophobicContact CE3-CB 3.77Å; W62-F77 AromaticContact CE3-CD1 4Å; W62-F77 HydrophobicContact CE3-CD1 4Å; W62-F77 HydrophobicContact CE3-CD2 4.39Å; W62-F77 AromaticContact CE3-CG 3.79Å; W62-F77 HydrophobicContact CE3-CG 3.79Å; W62-F77 HydrophobicContact CH2-CB 4.37Å; W62-F77 AromaticContact CH2-CD1 3.33Å; W62-F77 HydrophobicContact CH2-CD1 3.33Å; W62-F77 AromaticContact CH2-CE1 3.79Å; W62-F77 HydrophobicContact CH2-CE1 3.79Å; W62-F77 HydrophobicContact CH2-CG 4.01Å; W62-F77 HydrophobicContact CZ2-CD1 4.32Å; W62-F77 HydrophobicContact CZ3-CB 3.82Å; W62-F77 AromaticContact CZ3-CD1 3.13Å; W62-F77 HydrophobicContact CZ3-CD1 3.13Å; W62-F77 HydrophobicContact CZ3-CD2 4.05Å; W62-F77 AromaticContact CZ3-CE1 3.6Å; W62-F77 HydrophobicContact CZ3-CE1 3.6Å; W62-F77 HydrophobicContact CZ3-CE2 4.43Å; W62-F77 AromaticContact CZ3-CG 3.38Å; W62-F77 HydrophobicContact CZ3-CG 3.38Å; W62-F77 HydrophobicContact CZ3-CZ 4.23Å
63D93.2Very high86.4Confident3 Ų358.5 Ų58.52%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-90.6127.8167.8-17946.5000109.4K21 T22 M25 T40 A43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.44Å; T22-D63 VanDerWaalsContact CB-OD2 3.28Å; T22-D63 WeakPolarHBondContact CB-OD2 3.41Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.45Å; T22-D63 PolarHBondContact N-OD1 3.47Å; T22-D63 PolarHBondContact OG1-OD1 2.92Å; T22-D63 PolarHBondContact OG1-OD2 3.42Å; M25-D63 HydrophobicContact CE-CB 3.55Å; M25-D63 HydrophobicContact SD-CB 3.73Å; T40-D63 PolarHBondContact OG1-OD2 2.96Å; A43-D63 VanDerWaalsContact CA-O 3.27Å; A43-D63 WeakPolarHBondContact CA-O 3.49Å; D44-D63 PolarHBondContact N-O 3.09Å; D44-D63 PolarHBondContact O-N 3.49Å
64T90.3Very high85.7Confident1 Ų153.3 Ų53.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-112154.4-178.469.90000111.8I12 I13 L14 K21 A43 G66 Y78I12-T64 HydrophobicContact CG2-CG2 4.02Å; I13-T64 PolarHBondContact O-OG1 2.94Å; L14-T64 HydrophobicContact CD2-CG2 3.87Å; L14-T64 VanDerWaalsContact CD2-OG1 3.29Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.26Å; K21-T64 WeakPolarHBondContact CE-O 3.31Å; A43-T64 HydrophobicContact CB-CG2 4.4Å; T64-G66 PolarHBondContact O-N 2.87Å; T64-Y78 HydrophobicContact CG2-CE1 4.18Å
65A85.8Confident85.3Confident1 Ų147.2 Ų47.21%0.00823%0.23CC..  trans-63124.5172.100000110.8T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 WeakPolarHBondContact O-CB 3.27Å; G42-A65 PolarHBondContact O-N 3.13Å; A65-Q67 VanDerWaalsContact C-N 3.35Å; A65-F70 HydrophobicContact CB-CB 3.63Å
66G75.4Confident84.9Confident11 Ų1147 Ų4711%0.11325%0.247CC..  trans-87.4-2173.200000114.2G15 S17 T64G15-G66 WeakPolarHBondContact O-CA 2.97Å; S17-G66 PolarHBondContact N-O 3.34Å; S17-G66 VanDerWaalsContact N-O 3.1Å; T64-G66 PolarHBondContact O-N 2.87Å
67Q78.3Confident84.6Confident49 Ų4946 Ų4623%0.22924%0.239CC..SBendtrans-89127.4176.5-69.2-168.421.600109.8S17 Y37 A65 R69 F70 Q71S17-Q67 WeakPolarHBondContact OG-CG 3.37Å; Y37-Q67 PolarHBondContact OH-NE2 2.88Å; A65-Q67 VanDerWaalsContact C-N 3.35Å; Q67-R69 PolarHBondContact O-N 3.42Å; Q67-R69 VanDerWaalsContact O-N 3.09Å; Q67-F70 HydrophobicContact CB-CD2 4.14Å; Q67-F70 CarbonylContact O-C 3.56Å; Q67-F70 PolarHBondContact O-N 2.93Å; Q67-Q71 WeakPolarHBondContact O-CG 3.33Å; Q67-Q71 PolarHBondContact O-N 3.35Å
68E73.3Confident84.5Confident153 Ų15346 Ų4672%0.71524%0.239SC*.Hα-helixtrans-46.2-42.6179.866.7-165.5171.700114.1F70 Q71E68-F70 PolarHBondContact O-N 2.98Å; E68-F70 VanDerWaalsContact O-N 3.1Å; E68-Q71 VanDerWaalsContact CA-CD 3.5Å; E68-Q71 PolarHBondContact O-N 3.49Å
69R73.4Confident84.3Confident187 Ų18752.9 Ų52.971%0.70626%0.261SS*.Hα-helixtrans-64.8-17.6-179.3-62.7-173.6-64.2-178.3-0.7114.2Q67Q67-R69 PolarHBondContact O-N 3.42Å; Q67-R69 VanDerWaalsContact O-N 3.09Å
70F75.8Confident84.1Confident61 Ų6155.5 Ų55.527%0.26829%0.288SS..Hα-helixtrans-118.7-4-180-56.3-46.3000113.3I41 A65 Q67 E68 S72 L73I41-F70 HydrophobicContact CG1-CE2 4.5Å; A65-F70 HydrophobicContact CB-CB 3.63Å; Q67-F70 HydrophobicContact CB-CD2 4.14Å; Q67-F70 CarbonylContact O-C 3.56Å; Q67-F70 PolarHBondContact O-N 2.93Å; E68-F70 PolarHBondContact O-N 2.98Å; E68-F70 VanDerWaalsContact O-N 3.1Å; F70-S72 VanDerWaalsContact C-N 3.35Å; F70-S72 PolarHBondContact O-N 3.29Å; F70-L73 HydrophobicContact CD1-CD1 4.49Å; F70-L73 WeakPolarHBondContact O-CB 3.38Å; F70-L73 PolarHBondContact O-N 2.88Å
71Q69.8Low84.1Confident44 Ų4454.5 Ų54.521%0.20629%0.285CS..Hα-helixtrans-59.7-43-177.5-86.4169.1-3.400112.3Q67 E68 L73 G74 W102Q67-Q71 WeakPolarHBondContact O-CG 3.33Å; Q67-Q71 PolarHBondContact O-N 3.35Å; E68-Q71 VanDerWaalsContact CA-CD 3.5Å; E68-Q71 PolarHBondContact O-N 3.49Å; Q71-L73 PolarHBondContact O-N 2.89Å; Q71-L73 VanDerWaalsContact O-N 3.07Å; Q71-G74 PolarHBondContact O-N 3.05Å; Q71-W102 HydrophobicContact CG-CH2 3.68Å; Q71-W102 HydrophobicContact CG-CZ3 4.27Å
72S76Confident84.1Confident90 Ų9055.4 Ų55.463%0.62929%0.29SS*.Hα-helixtrans-58.5-25.9-178.758.10000113.8F70 G74F70-S72 VanDerWaalsContact C-N 3.35Å; F70-S72 PolarHBondContact O-N 3.29Å; S72-G74 VanDerWaalsContact C-N 3.33Å
73L75.7Confident84.2Confident94 Ų9454.3 Ų54.349%0.49229%0.286SS..Hα-helixtrans-71.8-27176.7-63174.7000112.5F70 Q71 F77F70-L73 HydrophobicContact CD1-CD1 4.49Å; F70-L73 WeakPolarHBondContact O-CB 3.38Å; F70-L73 PolarHBondContact O-N 2.88Å; Q71-L73 PolarHBondContact O-N 2.89Å; Q71-L73 VanDerWaalsContact O-N 3.07Å; L73-F77 WeakPolarHBondContact O-CE2 3.33Å
74G74.3Confident84.4Confident1 Ų154.2 Ų54.21%0.0129%0.285CS..Hα-helixtrans-81.5-25-179.100000114Q71 S72 A76 F77 Y78Q71-G74 PolarHBondContact O-N 3.05Å; S72-G74 VanDerWaalsContact C-N 3.33Å; G74-A76 VanDerWaalsContact C-N 3.29Å; G74-A76 PolarHBondContact O-N 3.23Å; G74-F77 WeakPolarHBondContact O-CB 3.39Å; G74-F77 WeakPolarHBondContact O-CD2 3.45Å; G74-F77 PolarHBondContact O-N 3.44Å; G74-Y78 WeakPolarHBondContact O-CD1 3.33Å
75V80.3Confident84.8Confident26 Ų2654.1 Ų54.116%0.15829%0.285CS..G310 helixtrans-59.4-36.5-171.7176.20000113.1F77 Y78 Q109V75-F77 PolarHBondContact O-N 2.97Å; V75-Y78 PolarHBondContact O-N 2.97Å; V75-Q109 HydrophobicContact CG1-CB 3.6Å; V75-Q109 VanDerWaalsContact CG1-CD 3.42Å; V75-Q109 HydrophobicContact CG1-CG 3.46Å; V75-Q109 VanDerWaalsContact CG1-CG 3.46Å
76A83.6Confident85.4Confident85 Ų8554.1 Ų54.170%0.70228%0.284SS*.G310 helixtrans-57.9-20.5177.900000113.1G74G74-A76 VanDerWaalsContact C-N 3.29Å; G74-A76 PolarHBondContact O-N 3.23Å
77F87.8Confident86.5Confident73 Ų7353.6 Ų53.632%0.3228%0.279SS..G310 helixtrans-94.4-2.6-178.5-54-71.6000113.8K10 A43 W62 L73 G74 V75K10-F77 WeakPolarHBondContact CE-O 3.49Å; K10-F77 PolarHBondContact NZ-O 3.25Å; A43-F77 HydrophobicContact CB-CD2 3.55Å; A43-F77 HydrophobicContact CB-CE2 3.88Å; A43-F77 HydrophobicContact CB-CG 4.36Å; W62-F77 HydrophobicContact CD2-CB 4.3Å; W62-F77 HydrophobicContact CE3-CB 3.77Å; W62-F77 AromaticContact CE3-CD1 4Å; W62-F77 HydrophobicContact CE3-CD1 4Å; W62-F77 HydrophobicContact CE3-CD2 4.39Å; W62-F77 AromaticContact CE3-CG 3.79Å; W62-F77 HydrophobicContact CE3-CG 3.79Å; W62-F77 HydrophobicContact CH2-CB 4.37Å; W62-F77 AromaticContact CH2-CD1 3.33Å; W62-F77 HydrophobicContact CH2-CD1 3.33Å; W62-F77 AromaticContact CH2-CE1 3.79Å; W62-F77 HydrophobicContact CH2-CE1 3.79Å; W62-F77 HydrophobicContact CH2-CG 4.01Å; W62-F77 HydrophobicContact CZ2-CD1 4.32Å; W62-F77 HydrophobicContact CZ3-CB 3.82Å; W62-F77 AromaticContact CZ3-CD1 3.13Å; W62-F77 HydrophobicContact CZ3-CD1 3.13Å; W62-F77 HydrophobicContact CZ3-CD2 4.05Å; W62-F77 AromaticContact CZ3-CE1 3.6Å; W62-F77 HydrophobicContact CZ3-CE1 3.6Å; W62-F77 HydrophobicContact CZ3-CE2 4.43Å; W62-F77 AromaticContact CZ3-CG 3.38Å; W62-F77 HydrophobicContact CZ3-CG 3.38Å; W62-F77 HydrophobicContact CZ3-CZ 4.23Å; L73-F77 WeakPolarHBondContact O-CE2 3.33Å; G74-F77 WeakPolarHBondContact O-CB 3.39Å; G74-F77 WeakPolarHBondContact O-CD2 3.45Å; G74-F77 PolarHBondContact O-N 3.44Å; V75-F77 PolarHBondContact O-N 2.97Å
78Y93.7Very high87.5Confident1 Ų151.2 Ų51.20%0.00427%0.268CS..  trans-74.9-32.9-177-688.5000113I12 L14 T64 G74 V75 G80 A81 E105 F106 Q109I12-Y78 HydrophobicContact CG2-CD1 3.99Å; I12-Y78 HydrophobicContact CG2-CE1 4.06Å; L14-Y78 HydrophobicContact CD1-CE2 4.11Å; L14-Y78 HydrophobicContact CD2-CE1 3.73Å; L14-Y78 HydrophobicContact CD2-CE2 4.48Å; L14-Y78 VanDerWaalsContact CD2-OH 3.29Å; L14-Y78 WeakPolarHBondContact CD2-OH 3.41Å; T64-Y78 HydrophobicContact CG2-CE1 4.18Å; G74-Y78 WeakPolarHBondContact O-CD1 3.33Å; V75-Y78 PolarHBondContact O-N 2.97Å; Y78-G80 PolarHBondContact O-N 3.28Å; Y78-A81 WeakPolarHBondContact O-CB 3.35Å; Y78-A81 PolarHBondContact O-N 2.9Å; Y78-A81 VanDerWaalsContact O-N 3.16Å; Y78-E105 HydrophobicContact CE2-CG 4.33Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.33Å; Y78-E105 PolarHBondContact OH-OE1 2.97Å; Y78-F106 AromaticContact CD2-CD2 3.91Å; Y78-F106 HydrophobicContact CD2-CD2 3.91Å; Y78-F106 HydrophobicContact CE2-CD2 4.47Å; Y78-F106 HydrophobicContact CG-CD2 4.15Å; Y78-F106 HydrophobicContact CG-CE2 4.5Å; Y78-Q109 HydrophobicContact CD2-CB 3.77Å; Y78-Q109 HydrophobicContact CE2-CB 4.37Å
79R93.9Very high88.7Confident178 Ų17844.5 Ų44.567%0.67224%0.237SC*.THydrogen-bonded Turntrans-60.8136.4-177.1-169.7177.3179.386.9-0.4111.5K10 A81K10-R79 PolarHBondContact NZ-O 3.39Å; R79-A81 VanDerWaalsContact C-N 3.26Å; R79-A81 PolarHBondContact O-N 3.32Å
80G93.3Very high89.9Confident55 Ų5535.6 Ų35.657%0.56720%0.203SC*.THydrogen-bonded Turntrans71.818.5-178.200000113.9Y78Y78-G80 PolarHBondContact O-N 3.28Å
81A97.1Very high91Very high10 Ų1034 Ų348%0.08320%0.198CC..  trans-67.4141.2167.200000110.5I12 Y78 R79 F106 F118I12-A81 HydrophobicContact CD1-CB 4.4Å; I12-A81 HydrophobicContact CG1-CB 3.59Å; Y78-A81 WeakPolarHBondContact O-CB 3.35Å; Y78-A81 PolarHBondContact O-N 2.9Å; Y78-A81 VanDerWaalsContact O-N 3.16Å; R79-A81 VanDerWaalsContact C-N 3.26Å; R79-A81 PolarHBondContact O-N 3.32Å; A81-F106 HydrophobicContact CB-CE2 3.99Å; A81-F106 HydrophobicContact CB-CZ 3.87Å; A81-F118 HydrophobicContact CB-CZ 4.33Å; A81-F118 VanDerWaalsContact O-CE2 3.24Å; A81-F118 WeakPolarHBondContact O-CE2 3.29Å; A81-F118 WeakPolarHBondContact O-CZ 3.45Å
82D98.1Very high92.4Very high18 Ų1833.3 Ų33.310%0.09620%0.201CC..SBendtrans-97.6-17.9176.9-56-59.3000111.8L9 K10 P119 A173 Q176L9-D82 WeakPolarHBondContact CA-OD2 3.39Å; K10-D82 PolarHBondContact N-OD2 3.23Å; K10-D82 PolarHBondContact O-N 2.73Å; D82-P119 WeakPolarHBondContact O-CG 3.5Å; D82-A173 HydrophobicContact CB-CB 3.87Å; D82-A173 WeakPolarHBondContact O-CA 3.39Å; D82-Q176 WeakPolarHBondContact O-CB 3.21Å; D82-Q176 WeakPolarHBondContact O-CG 3.31Å
83C98.4Very high93.4Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-157.4148.5171.9-1760000111.7K10 V11 I12 P119 I169 A173K10-C83 PolarHBondContact O-N 3.2Å; V11-C83 WeakPolarHBondContact CA-O 3.38Å; V11-C83 HydrophobicContact CG2-CB 4.46Å; I12-C83 PolarHBondContact N-O 2.91Å; C83-P119 WeakPolarHBondContact CA-O 3.29Å; C83-P119 HydrophobicContact CB-CB 4.49Å; C83-P119 HydrophobicContact CB-CG 4.16Å; C83-P119 PolarHBondContact SG-O 2.8Å; C83-I169 HydrophobicContact CB-CG2 4.33Å; C83-A173 HydrophobicContact CB-CB 3.81Å
84C98.4Very high94.5Very high0 Ų030.9 Ų30.90%018%0.183CC..EExtended strand (participates in β ladder)trans-116.1130.8173.9-1780000110.9I12 F106 F118 P119 F120 V121I12-C84 CarbonylContact O-C 3.38Å; I12-C84 WeakPolarHBondContact O-CA 3.37Å; C84-F106 HydrophobicContact CB-CD1 4.11Å; C84-F106 HydrophobicContact CB-CD2 4.01Å; C84-F106 HydrophobicContact CB-CE1 3.97Å; C84-F106 HydrophobicContact CB-CE2 3.84Å; C84-F106 HydrophobicContact CB-CG 4.14Å; C84-F106 HydrophobicContact CB-CZ 3.82Å; C84-F118 HydrophobicContact CB-CE1 3.83Å; C84-P119 PolarHBondContact N-O 2.74Å; C84-F120 HydrophobicContact CB-CD1 3.57Å; C84-F120 HydrophobicContact CB-CE1 3.55Å; C84-F120 HydrophobicContact CB-CG 4.5Å; C84-F120 HydrophobicContact CB-CZ 4.46Å; C84-F120 CarbonylContact O-C 3.55Å; C84-F120 VanDerWaalsContact O-CA 3.23Å; C84-F120 WeakPolarHBondContact O-CA 3.42Å; C84-V121 PolarHBondContact O-N 3.43Å
85V98.8Very high95.6Very high0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-106.2120.4177.3-173.20000108.5V11 I12 I13 L14 V87 V121 L123 I169V11-V85 HydrophobicContact CG1-CG2 3.64Å; I12-V85 PolarHBondContact O-N 2.95Å; I13-V85 WeakPolarHBondContact CA-O 3.38Å; I13-V85 HydrophobicContact CB-CB 4.48Å; I13-V85 HydrophobicContact CG1-CB 4.22Å; I13-V85 HydrophobicContact CG1-CG2 4.45Å; I13-V85 HydrophobicContact CG2-CB 4.34Å; I13-V85 HydrophobicContact CG2-CG1 4.43Å; L14-V85 PolarHBondContact N-O 3.47Å; V85-V87 HydrophobicContact CG1-CG2 4.03Å; V85-V121 CarbonylContact C-O 3.59Å; V85-V121 WeakPolarHBondContact CA-O 3.34Å; V85-L123 HydrophobicContact CG1-CD1 3.48Å; V85-L123 VanDerWaalsContact CG1-CD1 3.48Å; V85-L123 HydrophobicContact CG1-CG 3.64Å; V85-I169 HydrophobicContact CB-CD1 4.47Å; V85-I169 HydrophobicContact CG1-CD1 4.13Å; V85-I169 HydrophobicContact CG2-CD1 3.46Å; V85-I169 VanDerWaalsContact CG2-CD1 3.46Å; V85-I169 HydrophobicContact CG2-CG1 3.91Å; V85-I169 HydrophobicContact CG2-CG2 4.08Å
86L98.8Very high96.5Very high0 Ų030.8 Ų30.80%018%0.181CC..EExtended strand (participates in β ladder)trans-101.2118.2177.8-63.7179.5000109.4L14 L99 W102 R103 F120 V121 V122 L123 W142L14-L86 HydrophobicContact CB-CD2 4.13Å; L86-L99 HydrophobicContact CB-CD2 4.08Å; L86-W102 HydrophobicContact CD2-CB 3.94Å; L86-R103 HydrophobicContact CD1-CB 4.06Å; L86-F120 HydrophobicContact CD1-CD1 3.96Å; L86-F120 HydrophobicContact CD1-CE1 4.48Å; L86-F120 HydrophobicContact CG-CD1 4.07Å; L86-V121 PolarHBondContact N-O 2.87Å; L86-V122 HydrophobicContact CB-CG2 4.37Å; L86-V122 CarbonylContact O-C 3.59Å; L86-V122 WeakPolarHBondContact O-CA 3.47Å; L86-L123 PolarHBondContact O-N 3.21Å; L86-W142 HydrophobicContact CD1-CH2 3.99Å; L86-W142 HydrophobicContact CD1-CZ3 4.5Å
87V98.8Very high97.2Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-113.5133-175-170.40000110.6I13 L14 G15 V19 K21 L24 V85 L123 N125I13-V87 HydrophobicContact CG2-CG2 3.47Å; I13-V87 VanDerWaalsContact CG2-CG2 3.47Å; L14-V87 PolarHBondContact O-N 2.85Å; G15-V87 WeakPolarHBondContact CA-O 3.41Å; V19-V87 HydrophobicContact CB-CG1 4.24Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.74Å; K21-V87 HydrophobicContact CG-CB 4.13Å; K21-V87 HydrophobicContact CG-CG2 4.22Å; L24-V87 HydrophobicContact CD1-CG1 3.71Å; L24-V87 HydrophobicContact CD1-CG2 4.11Å; V85-V87 HydrophobicContact CG1-CG2 4.03Å; V87-L123 WeakPolarHBondContact CA-O 3.48Å; V87-L123 HydrophobicContact CG1-CB 4.44Å; V87-L123 HydrophobicContact CG2-CB 4.28Å; V87-L123 HydrophobicContact CG2-CD1 4.32Å; V87-N125 HydrophobicContact CG1-CB 4.08Å
88F98.9Very high97.7Very high0 Ų030.8 Ų30.80%017%0.168CC..EExtended strand (participates in β ladder)trans-131.3166.1168.874.8-84.4000111.1V90 T95 F96 L99 V122 L123 G124 N125 V134 A139 Y151F88-V90 HydrophobicContact CE2-CG1 3.92Å; F88-V90 HydrophobicContact CZ-CG1 4.36Å; F88-T95 WeakPolarHBondContact CB-O 3.48Å; F88-F96 HydrophobicContact CB-CB 4.43Å; F88-F96 AromaticContact CD1-CD2 3.9Å; F88-F96 HydrophobicContact CD1-CD2 3.9Å; F88-F96 HydrophobicContact CD2-CB 3.83Å; F88-F96 AromaticContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CG 4.33Å; F88-F96 AromaticContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CE2 4.16Å; F88-F96 HydrophobicContact CE2-CB 4.29Å; F88-F96 AromaticContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CG 4.4Å; F88-F96 HydrophobicContact CG-CB 4.17Å; F88-F96 AromaticContact CG-CD2 3.95Å; F88-F96 HydrophobicContact CG-CD2 3.95Å; F88-F96 AromaticContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CE2 4.2Å; F88-L99 HydrophobicContact CB-CD1 4.44Å; F88-L99 HydrophobicContact CB-CD2 4.19Å; F88-L99 HydrophobicContact CB-CG 4.45Å; F88-L99 HydrophobicContact CD1-CD1 3.78Å; F88-L99 HydrophobicContact CE1-CD1 4.39Å; F88-L99 HydrophobicContact CG-CD1 4.35Å; F88-V122 HydrophobicContact CD1-CG1 3.96Å; F88-V122 HydrophobicContact CE1-CG1 3.77Å; F88-L123 WeakPolarHBondContact CD1-O 3.27Å; F88-L123 PolarHBondContact N-O 2.87Å; F88-G124 VanDerWaalsContact CE1-CA 3.41Å; F88-N125 PolarHBondContact O-N 3.16Å; F88-V134 HydrophobicContact CE2-CB 3.93Å; F88-V134 HydrophobicContact CE2-CG1 3.75Å; F88-V134 HydrophobicContact CE2-CG2 4.21Å; F88-V134 HydrophobicContact CZ-CG1 4.19Å; F88-A139 HydrophobicContact CE1-CB 4.38Å; F88-A139 HydrophobicContact CZ-CB 3.9Å; F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 AromaticContact CZ-CE2 3.98Å; F88-Y151 HydrophobicContact CZ-CE2 3.98Å
89D98.6Very high97.9Very high12 Ų1230.8 Ų30.86%0.06417%0.168CC..EExtended strand (participates in β ladder)trans-100.2121.2175.9178.7-17.6000109.8V19 T91 A92 T95 K126V19-D89 HydrophobicContact CB-CB 4.39Å; V19-D89 HydrophobicContact CG1-CB 4.26Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.05Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CA 3.29Å; D89-T91 WeakPolarHBondContact OD1-CB 3.22Å; D89-T91 PolarHBondContact OD1-N 2.84Å; D89-T91 PolarHBondContact OD1-OG1 3.43Å; D89-T91 PolarHBondContact OD2-OG1 3.39Å; D89-A92 HydrophobicContact CB-CB 4.07Å; D89-A92 PolarHBondContact O-N 2.78Å; D89-T95 PolarHBondContact N-OG1 2.85Å; D89-T95 PolarHBondContact O-OG1 3.08Å; D89-K126 VanDerWaalsContact OD2-CD 3.3Å; D89-K126 WeakPolarHBondContact OD2-CD 3.11Å; D89-K126 WeakPolarHBondContact OD2-CE 3.4Å; D89-K126 IonicContact OD2-NZ 2.68Å; D89-K126 PolarHBondContact OD2-NZ 3.38Å
90V98.8Very high98Very high0 Ų024.8 Ų24.80%015%0.15CC..THydrogen-bonded Turntrans-63.9-17.6-177.6-58.80000113.6F88 N125 I127 R132 Q133 V134F88-V90 HydrophobicContact CE2-CG1 3.92Å; F88-V90 HydrophobicContact CZ-CG1 4.36Å; V90-N125 WeakPolarHBondContact CG2-O 3.31Å; V90-N125 PolarHBondContact N-O 2.93Å; V90-I127 HydrophobicContact CG1-CG2 4.07Å; V90-I127 HydrophobicContact CG2-CG2 4.2Å; V90-R132 HydrophobicContact CB-CG 4.44Å; V90-Q133 PolarHBondContact O-N 3.12Å; V90-V134 PolarHBondContact O-N 3.35Å
91T98.4Very high98.2Very high26 Ų2626 Ų2616%0.1615%0.149CC..THydrogen-bonded Turntrans-91.5-9.917772.90000113.2D89 L129 N131 Q133D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.05Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CA 3.29Å; D89-T91 WeakPolarHBondContact OD1-CB 3.22Å; D89-T91 PolarHBondContact OD1-N 2.84Å; D89-T91 PolarHBondContact OD1-OG1 3.43Å; D89-T91 PolarHBondContact OD2-OG1 3.39Å; T91-L129 HydrophobicContact CG2-CB 3.63Å; T91-L129 HydrophobicContact CG2-CD1 3.85Å; T91-L129 HydrophobicContact CG2-CG 4.36Å; T91-N131 WeakPolarHBondContact CB-O 3.25Å; T91-Q133 VanDerWaalsContact O-CD 3.3Å; T91-Q133 WeakPolarHBondContact O-CG 3.28Å; T91-Q133 PolarHBondContact O-NE2 2.89Å; T91-Q133 VanDerWaalsContact O-NE2 3.11Å
92A98.1Very high98.2Very high31 Ų3125.9 Ų25.926%0.25615%0.147SC..  trans-125.191.2-175.500000111.7D89 N94 T95D89-A92 HydrophobicContact CB-CB 4.07Å; D89-A92 PolarHBondContact O-N 2.78Å; A92-N94 PolarHBondContact O-N 3.16Å; A92-T95 HydrophobicContact CB-CG2 3.86Å; A92-T95 WeakPolarHBondContact O-CB 3.44Å; A92-T95 PolarHBondContact O-N 2.96Å; A92-T95 PolarHBondContact O-OG1 3.49Å
93P97.9Very high98.1Very high27 Ų2725.7 Ų25.718%0.17515%0.145CC..Hα-helixtrans-58.8-27.5-171.8-28.136.3000115.6T95 F96 K97 Q133 V134P93-T95 VanDerWaalsContact C-N 3.29Å; P93-T95 PolarHBondContact O-N 2.86Å; P93-F96 WeakPolarHBondContact O-CB 3.5Å; P93-F96 PolarHBondContact O-N 2.93Å; P93-K97 PolarHBondContact O-N 2.88Å; P93-Q133 HydrophobicContact CG-CB 3.4Å; P93-Q133 HydrophobicContact CG-CG 4.33Å; P93-V134 HydrophobicContact CB-CG2 4.31Å; P93-V134 HydrophobicContact CG-CG2 4.42Å
94N98.1Very high98Very high106 Ų10629.5 Ų29.557%0.56717%0.165SC*.Hα-helixtrans-65.8-34.7178.5-68.5-21.1000111.6A92 F96 K97 T98A92-N94 PolarHBondContact O-N 3.16Å; N94-F96 PolarHBondContact O-N 3.23Å; N94-K97 WeakPolarHBondContact O-CB 3.24Å; N94-K97 PolarHBondContact O-N 3.36Å; N94-K97 PolarHBondContact OD1-NZ 2.92Å; N94-K97 VanDerWaalsContact OD1-NZ 3.11Å; N94-T98 PolarHBondContact O-N 2.98Å; N94-T98 VanDerWaalsContact O-N 3.17Å; N94-T98 PolarHBondContact O-OG1 3.04Å
95T98.4Very high97.8Very high15 Ų1531.9 Ų31.99%0.09218%0.176CC..Hα-helixtrans-66.7-22.6176.871.40000113D16 V19 F88 D89 A92 P93 T98D16-T95 HydrophobicContact CB-CG2 3.93Å; D16-T95 WeakPolarHBondContact OD2-CA 3.23Å; V19-T95 HydrophobicContact CG1-CG2 3.76Å; F88-T95 WeakPolarHBondContact CB-O 3.48Å; D89-T95 PolarHBondContact N-OG1 2.85Å; D89-T95 PolarHBondContact O-OG1 3.08Å; A92-T95 HydrophobicContact CB-CG2 3.86Å; A92-T95 WeakPolarHBondContact O-CB 3.44Å; A92-T95 PolarHBondContact O-N 2.96Å; A92-T95 PolarHBondContact O-OG1 3.49Å; P93-T95 VanDerWaalsContact C-N 3.29Å; P93-T95 PolarHBondContact O-N 2.86Å; T95-T98 PolarHBondContact O-OG1 3.16Å; T95-T98 VanDerWaalsContact O-OG1 3.12Å
96F98.7Very high97.7Very high9 Ų931.9 Ų31.94%0.03918%0.176CC..Hα-helixtrans-80.5-36.3171.9179.3-100.2000111.8F88 P93 N94 T98 L99 V134 R138 A139 W142F88-F96 HydrophobicContact CB-CB 4.43Å; F88-F96 AromaticContact CD1-CD2 3.9Å; F88-F96 HydrophobicContact CD1-CD2 3.9Å; F88-F96 HydrophobicContact CD2-CB 3.83Å; F88-F96 AromaticContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CD2 3.91Å; F88-F96 HydrophobicContact CD2-CG 4.33Å; F88-F96 AromaticContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CD2 3.76Å; F88-F96 HydrophobicContact CE1-CE2 4.16Å; F88-F96 HydrophobicContact CE2-CB 4.29Å; F88-F96 AromaticContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CD2 3.81Å; F88-F96 HydrophobicContact CE2-CG 4.4Å; F88-F96 HydrophobicContact CG-CB 4.17Å; F88-F96 AromaticContact CG-CD2 3.95Å; F88-F96 HydrophobicContact CG-CD2 3.95Å; F88-F96 AromaticContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CD2 3.72Å; F88-F96 HydrophobicContact CZ-CE2 4.2Å; P93-F96 WeakPolarHBondContact O-CB 3.5Å; P93-F96 PolarHBondContact O-N 2.93Å; N94-F96 PolarHBondContact O-N 3.23Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 2.75Å; F96-L99 HydrophobicContact CD2-CD1 3.66Å; F96-L99 HydrophobicContact CE2-CD1 3.88Å; F96-L99 WeakPolarHBondContact O-CB 3.16Å; F96-L99 VanDerWaalsContact O-CG 3.3Å; F96-L99 WeakPolarHBondContact O-CG 3.46Å; F96-L99 PolarHBondContact O-N 3.35Å; F96-V134 HydrophobicContact CB-CG1 4.37Å; F96-V134 HydrophobicContact CB-CG2 4Å; F96-V134 HydrophobicContact CD1-CG1 4.3Å; F96-V134 HydrophobicContact CD2-CG1 4.08Å; F96-V134 HydrophobicContact CE2-CG1 4.5Å; F96-V134 HydrophobicContact CG-CG1 3.97Å; F96-V134 HydrophobicContact CG-CG2 4.46Å; F96-R138 HydrophobicContact CE1-CG 4.03Å; F96-R138 HydrophobicContact CZ-CG 4.41Å; F96-A139 HydrophobicContact CE2-CB 3.88Å; F96-A139 HydrophobicContact CZ-CB 4.38Å; F96-W142 HydrophobicContact CE2-CB 4.43Å; F96-W142 HydrophobicContact CZ-CB 3.66Å; F96-W142 AromaticContact CZ-CG 3.98Å; F96-W142 HydrophobicContact CZ-CG 3.98Å
97K98.1Very high97.6Very high119 Ų11933.2 Ų33.252%0.51718%0.183SC..Hα-helixtrans-66.2-31.3178.3-66.1173.6-172.2165.50112.2P93 N94 L99P93-K97 PolarHBondContact O-N 2.88Å; N94-K97 WeakPolarHBondContact O-CB 3.24Å; N94-K97 PolarHBondContact O-N 3.36Å; N94-K97 PolarHBondContact OD1-NZ 2.92Å; N94-K97 VanDerWaalsContact OD1-NZ 3.11Å; K97-L99 PolarHBondContact O-N 3.05Å
98T97.6Very high97.4Very high40 Ų4038.8 Ų38.825%0.24521%0.212CC..THydrogen-bonded Turntrans-77.3-5.7-18053.50000113.5D16 N94 T95 F96 D100 S101 W102D16-T98 VanDerWaalsContact CG-OG1 3.23Å; D16-T98 WeakPolarHBondContact OD1-CB 3.44Å; D16-T98 PolarHBondContact OD1-OG1 2.57Å; D16-T98 PolarHBondContact OD2-OG1 3.27Å; N94-T98 PolarHBondContact O-N 2.98Å; N94-T98 VanDerWaalsContact O-N 3.17Å; N94-T98 PolarHBondContact O-OG1 3.04Å; T95-T98 PolarHBondContact O-OG1 3.16Å; T95-T98 VanDerWaalsContact O-OG1 3.12Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 2.75Å; T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.95Å; T98-S101 WeakPolarHBondContact O-CB 3.43Å; T98-S101 PolarHBondContact O-N 3.19Å; T98-S101 VanDerWaalsContact O-N 3.09Å; T98-W102 PolarHBondContact O-N 3.37Å
99L98.2Very high97.2Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-60.1-34.9178.9-68.5-173.2000113.2L86 F88 F96 K97 W102 R103 V122 W142L86-L99 HydrophobicContact CB-CD2 4.08Å; F88-L99 HydrophobicContact CB-CD1 4.44Å; F88-L99 HydrophobicContact CB-CD2 4.19Å; F88-L99 HydrophobicContact CB-CG 4.45Å; F88-L99 HydrophobicContact CD1-CD1 3.78Å; F88-L99 HydrophobicContact CE1-CD1 4.39Å; F88-L99 HydrophobicContact CG-CD1 4.35Å; F96-L99 HydrophobicContact CD2-CD1 3.66Å; F96-L99 HydrophobicContact CE2-CD1 3.88Å; F96-L99 WeakPolarHBondContact O-CB 3.16Å; F96-L99 VanDerWaalsContact O-CG 3.3Å; F96-L99 WeakPolarHBondContact O-CG 3.46Å; F96-L99 PolarHBondContact O-N 3.35Å; K97-L99 PolarHBondContact O-N 3.05Å; L99-W102 PolarHBondContact O-N 3.39Å; L99-R103 WeakPolarHBondContact O-CB 3.41Å; L99-R103 PolarHBondContact O-N 3.43Å; L99-V122 HydrophobicContact CD1-CG1 4.08Å; L99-W142 HydrophobicContact CB-CH2 3.93Å; L99-W142 HydrophobicContact CB-CZ2 3.79Å; L99-W142 HydrophobicContact CD1-CZ3 4.41Å
100D97.5Very high97Very high52 Ų5243 Ų4328%0.27823%0.232SC..Hα-helixtrans-60.1-48.9173.5-76-71.5000110.7T98 W102 R103 D104 W142 K146T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.95Å; D100-W102 PolarHBondContact O-N 3.34Å; D100-R103 PolarHBondContact O-N 2.85Å; D100-D104 WeakPolarHBondContact O-CB 3.35Å; D100-D104 VanDerWaalsContact O-CG 3.24Å; D100-D104 PolarHBondContact O-N 3.39Å; D100-W142 PolarHBondContact OD1-NE1 3.29Å; D100-W142 PolarHBondContact OD2-NE1 3.07Å; D100-K146 WeakPolarHBondContact OD1-CE 3.49Å; D100-K146 IonicContact OD1-NZ 3.5Å; D100-K146 PolarHBondContact OD1-NZ 3.33Å
101S96.1Very high96.8Very high80 Ų8046.5 Ų46.556%0.55926%0.257SS*.Hα-helixtrans-61.7-41177.8-53.20000112.7T98 D104 E105T98-S101 WeakPolarHBondContact O-CB 3.43Å; T98-S101 PolarHBondContact O-N 3.19Å; T98-S101 VanDerWaalsContact O-N 3.09Å; S101-D104 PolarHBondContact O-N 2.77Å; S101-E105 VanDerWaalsContact O-CB 3.3Å; S101-E105 WeakPolarHBondContact O-CB 3.47Å; S101-E105 PolarHBondContact O-N 3.05Å
102W96.6Very high96.6Very high9 Ų946.1 Ų46.13%0.03426%0.255CS..Hα-helixtrans-65.9-39.8176.8-76.7115.2000112.9L14 G15 D16 Q71 L86 T98 L99 D100 F106L14-W102 HydrophobicContact CB-CD2 4.29Å; L14-W102 HydrophobicContact CB-CE3 3.93Å; L14-W102 HydrophobicContact CB-CZ3 4.44Å; L14-W102 HydrophobicContact CD1-CE3 4.2Å; L14-W102 HydrophobicContact CD2-CE3 4.47Å; L14-W102 HydrophobicContact CD2-CZ3 4.35Å; L14-W102 HydrophobicContact CG-CE3 4.43Å; G15-W102 VanDerWaalsContact C-CE2 3.43Å; G15-W102 VanDerWaalsContact C-CZ2 3.41Å; G15-W102 WeakPolarHBondContact O-CZ2 3.26Å; D16-W102 PolarHBondContact OD1-NE1 3.47Å; Q71-W102 HydrophobicContact CG-CH2 3.68Å; Q71-W102 HydrophobicContact CG-CZ3 4.27Å; L86-W102 HydrophobicContact CD2-CB 3.94Å; T98-W102 PolarHBondContact O-N 3.37Å; L99-W102 PolarHBondContact O-N 3.39Å; D100-W102 PolarHBondContact O-N 3.34Å; W102-F106 WeakPolarHBondContact O-CB 3.41Å; W102-F106 PolarHBondContact O-N 2.9Å
103R97.2Very high96.2Very high13 Ų1352.2 Ų52.25%0.04927%0.271CS..Hα-helixtrans-63.7-49.3174.7179.2-177.7167105.6-3.8110.6L86 L99 D100 F106 L107 F120L86-R103 HydrophobicContact CD1-CB 4.06Å; L99-R103 WeakPolarHBondContact O-CB 3.41Å; L99-R103 PolarHBondContact O-N 3.43Å; D100-R103 PolarHBondContact O-N 2.85Å; R103-F106 PolarHBondContact O-N 3.17Å; R103-L107 HydrophobicContact CG-CD1 4.17Å; R103-L107 WeakPolarHBondContact O-CG 3.21Å; R103-L107 PolarHBondContact O-N 3.03Å; R103-F120 HydrophobicContact CG-CE1 4.07Å; R103-F120 HydrophobicContact CG-CE2 4.36Å; R103-F120 HydrophobicContact CG-CZ 3.89Å; R103-F120 VanDerWaalsContact NH1-CD2 3.31Å
104D96Very high96Very high81 Ų8154.1 Ų54.143%0.43328%0.28SS..Hα-helixtrans-64.5-43.7-176.8-67.5-11.5000111.1D100 S101 F106 L107 I108D100-D104 WeakPolarHBondContact O-CB 3.35Å; D100-D104 VanDerWaalsContact O-CG 3.24Å; D100-D104 PolarHBondContact O-N 3.39Å; S101-D104 PolarHBondContact O-N 2.77Å; D104-F106 VanDerWaalsContact C-N 3.34Å; D104-F106 PolarHBondContact O-N 3.39Å; D104-L107 PolarHBondContact O-N 2.83Å; D104-I108 WeakPolarHBondContact O-CD1 3.32Å; D104-I108 VanDerWaalsContact O-CG1 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.14Å; D104-I108 PolarHBondContact O-N 2.97Å
105E94.6Very high95.8Very high49 Ų4951.5 Ų51.523%0.22927%0.269CS..Hα-helixtrans-57.1-48.2173.3-176.6-171.3100.900111.1Y78 S101 L107 I108 Q109Y78-E105 HydrophobicContact CE2-CG 4.33Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.33Å; Y78-E105 PolarHBondContact OH-OE1 2.97Å; S101-E105 VanDerWaalsContact O-CB 3.3Å; S101-E105 WeakPolarHBondContact O-CB 3.47Å; S101-E105 PolarHBondContact O-N 3.05Å; E105-L107 PolarHBondContact O-N 3Å; E105-I108 PolarHBondContact O-N 2.79Å; E105-Q109 HydrophobicContact CG-CG 4.16Å; E105-Q109 WeakPolarHBondContact O-CB 3.4Å; E105-Q109 WeakPolarHBondContact O-CG 2.93Å; E105-Q109 PolarHBondContact O-N 2.81Å
106F96.4Very high95.4Very high0 Ų056.7 Ų56.70%029%0.292CS..Hα-helixtrans-58-48.3178.5177.5-89.7000111.5I12 L14 Y78 A81 C84 W102 R103 D104 I108 Q109 A110 F118 F120I12-F106 HydrophobicContact CB-CE2 4.32Å; I12-F106 HydrophobicContact CG1-CE2 4.2Å; L14-F106 HydrophobicContact CD1-CB 3.78Å; L14-F106 HydrophobicContact CD1-CD2 4.02Å; L14-F106 HydrophobicContact CD1-CG 4.3Å; Y78-F106 AromaticContact CD2-CD2 3.91Å; Y78-F106 HydrophobicContact CD2-CD2 3.91Å; Y78-F106 HydrophobicContact CE2-CD2 4.47Å; Y78-F106 HydrophobicContact CG-CD2 4.15Å; Y78-F106 HydrophobicContact CG-CE2 4.5Å; A81-F106 HydrophobicContact CB-CE2 3.99Å; A81-F106 HydrophobicContact CB-CZ 3.87Å; C84-F106 HydrophobicContact CB-CD1 4.11Å; C84-F106 HydrophobicContact CB-CD2 4.01Å; C84-F106 HydrophobicContact CB-CE1 3.97Å; C84-F106 HydrophobicContact CB-CE2 3.84Å; C84-F106 HydrophobicContact CB-CG 4.14Å; C84-F106 HydrophobicContact CB-CZ 3.82Å; W102-F106 WeakPolarHBondContact O-CB 3.41Å; W102-F106 PolarHBondContact O-N 2.9Å; R103-F106 PolarHBondContact O-N 3.17Å; D104-F106 VanDerWaalsContact C-N 3.34Å; D104-F106 PolarHBondContact O-N 3.39Å; F106-I108 VanDerWaalsContact C-N 3.34Å; F106-I108 PolarHBondContact O-N 2.7Å; F106-Q109 PolarHBondContact O-N 3.47Å; F106-A110 HydrophobicContact CD1-CB 4.2Å; F106-A110 HydrophobicContact CD2-CB 4.25Å; F106-A110 HydrophobicContact CE1-CB 3.79Å; F106-A110 HydrophobicContact CE2-CB 3.86Å; F106-A110 HydrophobicContact CG-CB 4.42Å; F106-A110 HydrophobicContact CZ-CB 3.61Å; F106-A110 WeakPolarHBondContact O-CA 3.42Å; F106-A110 WeakPolarHBondContact O-CB 3.3Å; F106-A110 PolarHBondContact O-N 3.16Å; F106-F118 HydrophobicContact CD1-CD1 4.45Å; F106-F118 HydrophobicContact CD1-CE1 4.27Å; F106-F118 AromaticContact CE1-CD1 3.58Å; F106-F118 HydrophobicContact CE1-CD1 3.58Å; F106-F118 AromaticContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE2 4.25Å; F106-F118 HydrophobicContact CE1-CG 4.27Å; F106-F118 AromaticContact CE1-CZ 3.57Å; F106-F118 HydrophobicContact CE1-CZ 3.57Å; F106-F118 HydrophobicContact CZ-CD1 4.25Å; F106-F118 AromaticContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE2 4.26Å; F106-F118 AromaticContact CZ-CZ 3.4Å; F106-F118 HydrophobicContact CZ-CZ 3.4Å; F106-F120 HydrophobicContact CB-CE1 4.48Å; F106-F120 AromaticContact CD1-CE1 3.77Å; F106-F120 HydrophobicContact CD1-CE1 3.77Å; F106-F120 AromaticContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CE1-CE1 4.37Å; F106-F120 HydrophobicContact CE1-CZ 4.1Å; F106-F120 HydrophobicContact CG-CE1 4.26Å; F106-F120 HydrophobicContact CG-CZ 4.44Å
107L96.4Very high95.2Very high29 Ų2961 Ų6115%0.15232%0.315CS..Hα-helixtrans-62.4-41.1-178.3-70.1178.1000112.1R103 D104 E105 S111 P112 P115 F120R103-L107 HydrophobicContact CG-CD1 4.17Å; R103-L107 WeakPolarHBondContact O-CG 3.21Å; R103-L107 PolarHBondContact O-N 3.03Å; D104-L107 PolarHBondContact O-N 2.83Å; E105-L107 PolarHBondContact O-N 3Å; L107-S111 WeakPolarHBondContact O-CA 3.34Å; L107-S111 PolarHBondContact O-N 3.46Å; L107-S111 VanDerWaalsContact O-N 3.11Å; L107-P112 HydrophobicContact CD2-CG 3.76Å; L107-P112 WeakPolarHBondContact O-CD 3.12Å; L107-P115 HydrophobicContact CD2-CB 3.98Å; L107-F120 HydrophobicContact CD2-CE2 3.91Å; L107-F120 HydrophobicContact CD2-CZ 3.75Å; L107-F120 HydrophobicContact CG-CE2 4.45Å; L107-F120 HydrophobicContact CG-CZ 4.02Å
108I95.2Very high95.1Very high116 Ų11655.8 Ų55.860%0.59529%0.293SS*.Hα-helixtrans-62.9-48.9176.9-68.8165000110.3D104 E105 F106 S111D104-I108 WeakPolarHBondContact O-CD1 3.32Å; D104-I108 VanDerWaalsContact O-CG1 3.26Å; D104-I108 WeakPolarHBondContact O-CG1 3.14Å; D104-I108 PolarHBondContact O-N 2.97Å; E105-I108 PolarHBondContact O-N 2.79Å; F106-I108 VanDerWaalsContact C-N 3.34Å; F106-I108 PolarHBondContact O-N 2.7Å; I108-S111 PolarHBondContact O-OG 3.41Å
109Q94.4Very high95.2Very high93 Ų9354.8 Ų54.844%0.43529%0.287SS..Hα-helixtrans-85.2-38.7-168.5-61.3-63.3-21.500113.5V75 Y78 E105 F106 S111V75-Q109 HydrophobicContact CG1-CB 3.6Å; V75-Q109 VanDerWaalsContact CG1-CD 3.42Å; V75-Q109 HydrophobicContact CG1-CG 3.46Å; V75-Q109 VanDerWaalsContact CG1-CG 3.46Å; Y78-Q109 HydrophobicContact CD2-CB 3.77Å; Y78-Q109 HydrophobicContact CE2-CB 4.37Å; E105-Q109 HydrophobicContact CG-CG 4.16Å; E105-Q109 WeakPolarHBondContact O-CB 3.4Å; E105-Q109 WeakPolarHBondContact O-CG 2.93Å; E105-Q109 PolarHBondContact O-N 2.81Å; F106-Q109 PolarHBondContact O-N 3.47Å; Q109-S111 VanDerWaalsContact C-N 3.28Å
110A94.6Very high95.2Very high7 Ų755 Ų556%0.05829%0.288CS..Hα-helixtrans-70.1-30.7173.400000111.2F106F106-A110 HydrophobicContact CD1-CB 4.2Å; F106-A110 HydrophobicContact CD2-CB 4.25Å; F106-A110 HydrophobicContact CE1-CB 3.79Å; F106-A110 HydrophobicContact CE2-CB 3.86Å; F106-A110 HydrophobicContact CG-CB 4.42Å; F106-A110 HydrophobicContact CZ-CB 3.61Å; F106-A110 WeakPolarHBondContact O-CA 3.42Å; F106-A110 WeakPolarHBondContact O-CB 3.3Å; F106-A110 PolarHBondContact O-N 3.16Å
111S94.4Very high95.3Very high74 Ų7452.6 Ų52.652%0.51728%0.275SS..  trans45.455.8-173.6-65.10000111.6L107 I108 Q109L107-S111 WeakPolarHBondContact O-CA 3.34Å; L107-S111 PolarHBondContact O-N 3.46Å; L107-S111 VanDerWaalsContact O-N 3.11Å; I108-S111 PolarHBondContact O-OG 3.41Å; Q109-S111 VanDerWaalsContact C-N 3.28Å
112P93.9Very high95.4Very high19 Ų1948.8 Ų48.812%0.12325%0.248CC..  trans-63.2148.8178.230.5-34.1000109.4L107 D114 P115 F118L107-P112 HydrophobicContact CD2-CG 3.76Å; L107-P112 WeakPolarHBondContact O-CD 3.12Å; P112-D114 VanDerWaalsContact C-N 3.3Å; P112-D114 PolarHBondContact O-N 3.19Å; P112-P115 HydrophobicContact CG-CB 4.41Å; P112-P115 HydrophobicContact CG-CG 4.35Å; P112-P115 WeakPolarHBondContact O-CD 3.47Å; P112-F118 HydrophobicContact CB-CB 4.3Å; P112-F118 HydrophobicContact CB-CD2 3.42Å; P112-F118 VanDerWaalsContact CB-CD2 3.42Å; P112-F118 HydrophobicContact CB-CE2 4.04Å; P112-F118 HydrophobicContact CB-CG 4.04Å; P112-F118 HydrophobicContact CG-CB 4.23Å; P112-F118 HydrophobicContact CG-CD2 4.04Å; P112-F118 HydrophobicContact CG-CG 4.16Å
113R89.6Confident95.5Very high158 Ų15848.4 Ų48.460%0.59625%0.247SC*.SBendtrans-64.6-35.3-175.5179.6170.1168.1-110.9-13.1113.1Y183R113-Y183 VanDerWaalsContact NH1-CE2 3.31Å; R113-Y183 PolarHBondContact NH2-OH 2.88Å
114D93.1Very high95.6Very high68 Ų6847.8 Ų47.836%0.36424%0.244SC..  trans-122.186.6174.3-173.9-9.9000109.6P112 E116 N117 F118P112-D114 VanDerWaalsContact C-N 3.3Å; P112-D114 PolarHBondContact O-N 3.19Å; D114-E116 VanDerWaalsContact C-N 3.28Å; D114-E116 PolarHBondContact O-N 3.1Å; D114-E116 PolarHBondContact OD1-N 3.08Å; D114-N117 PolarHBondContact O-N 3.48Å; D114-N117 PolarHBondContact OD1-N 3.27Å; D114-N117 PolarHBondContact OD1-ND2 3.21Å; D114-N117 WeakPolarHBondContact OD2-CB 3.22Å; D114-N117 PolarHBondContact OD2-ND2 2.73Å; D114-F118 WeakPolarHBondContact O-CB 3.45Å; D114-F118 PolarHBondContact O-N 2.58Å
115P93.8Very high95.7Very high50 Ų5044 Ų4433%0.32523%0.225SC..THydrogen-bonded Turntrans-61-31.8-178.1-26.336.5000114.5L107 P112L107-P115 HydrophobicContact CD2-CB 3.98Å; P112-P115 HydrophobicContact CG-CB 4.41Å; P112-P115 HydrophobicContact CG-CG 4.35Å; P112-P115 WeakPolarHBondContact O-CD 3.47Å
116E91.4Very high95.9Very high125 Ų12544.1 Ų44.158%0.58422%0.224SC*.THydrogen-bonded Turntrans-75.7-33.9-174.9-68-57.613700111.9D114 N147D114-E116 VanDerWaalsContact C-N 3.28Å; D114-E116 PolarHBondContact O-N 3.1Å; D114-E116 PolarHBondContact OD1-N 3.08Å; E116-N147 PolarHBondContact O-ND2 3.33Å
117N93.5Very high96Very high99 Ų9946 Ų4653%0.52923%0.234SC..THydrogen-bonded Turntrans-101.9-1178.3-59.7-56.2000113.9D114 N147D114-N117 PolarHBondContact O-N 3.48Å; D114-N117 PolarHBondContact OD1-N 3.27Å; D114-N117 PolarHBondContact OD1-ND2 3.21Å; D114-N117 WeakPolarHBondContact OD2-CB 3.22Å; D114-N117 PolarHBondContact OD2-ND2 2.73Å; N117-N147 PolarHBondContact OD1-ND2 3.29Å
118F97.6Very high96.1Very high10 Ų1046.4 Ų46.44%0.04424%0.236CC..SBendtrans-55.3131.1176.6-174.3-89.8000110.7A81 C84 F106 P112 D114 F120A81-F118 HydrophobicContact CB-CZ 4.33Å; A81-F118 VanDerWaalsContact O-CE2 3.24Å; A81-F118 WeakPolarHBondContact O-CE2 3.29Å; A81-F118 WeakPolarHBondContact O-CZ 3.45Å; C84-F118 HydrophobicContact CB-CE1 3.83Å; F106-F118 HydrophobicContact CD1-CD1 4.45Å; F106-F118 HydrophobicContact CD1-CE1 4.27Å; F106-F118 AromaticContact CE1-CD1 3.58Å; F106-F118 HydrophobicContact CE1-CD1 3.58Å; F106-F118 AromaticContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE2 4.25Å; F106-F118 HydrophobicContact CE1-CG 4.27Å; F106-F118 AromaticContact CE1-CZ 3.57Å; F106-F118 HydrophobicContact CE1-CZ 3.57Å; F106-F118 HydrophobicContact CZ-CD1 4.25Å; F106-F118 AromaticContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE2 4.26Å; F106-F118 AromaticContact CZ-CZ 3.4Å; F106-F118 HydrophobicContact CZ-CZ 3.4Å; P112-F118 HydrophobicContact CB-CB 4.3Å; P112-F118 HydrophobicContact CB-CD2 3.42Å; P112-F118 VanDerWaalsContact CB-CD2 3.42Å; P112-F118 HydrophobicContact CB-CE2 4.04Å; P112-F118 HydrophobicContact CB-CG 4.04Å; P112-F118 HydrophobicContact CG-CB 4.23Å; P112-F118 HydrophobicContact CG-CD2 4.04Å; P112-F118 HydrophobicContact CG-CG 4.16Å; D114-F118 WeakPolarHBondContact O-CB 3.45Å; D114-F118 PolarHBondContact O-N 2.58Å; F118-F120 HydrophobicContact CB-CE2 4.23Å; F118-F120 HydrophobicContact CD1-CD2 4.02Å; F118-F120 AromaticContact CD1-CE2 3.66Å; F118-F120 HydrophobicContact CD1-CE2 3.66Å; F118-F120 AromaticContact CD1-CZ 3.95Å; F118-F120 HydrophobicContact CD1-CZ 3.95Å; F118-F120 HydrophobicContact CG-CE2 4.4Å; F118-F120 WeakPolarHBondContact O-CD2 3.33Å; F118-F120 PolarHBondContact O-N 3.21Å; F118-F120 VanDerWaalsContact O-N 3.16Å
119P98.1Very high96.2Very high18 Ų1844.3 Ų44.312%0.11723%0.226CC..  trans-73.6114.6-173.428.7-36.6000111.9D82 C83 C84 N172 Q176D82-P119 WeakPolarHBondContact O-CG 3.5Å; C83-P119 WeakPolarHBondContact CA-O 3.29Å; C83-P119 HydrophobicContact CB-CB 4.49Å; C83-P119 HydrophobicContact CB-CG 4.16Å; C83-P119 PolarHBondContact SG-O 2.8Å; C84-P119 PolarHBondContact N-O 2.74Å; P119-N172 HydrophobicContact CB-CB 3.83Å; P119-Q176 HydrophobicContact CG-CB 3.83Å; P119-Q176 HydrophobicContact CG-CG 4.13Å
120F98.7Very high96Very high6 Ų648.9 Ų48.93%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-102.9157.5165-69.7-89.8000110.9C84 L86 R103 F106 L107 F118 I149 P150C84-F120 HydrophobicContact CB-CD1 3.57Å; C84-F120 HydrophobicContact CB-CE1 3.55Å; C84-F120 HydrophobicContact CB-CG 4.5Å; C84-F120 HydrophobicContact CB-CZ 4.46Å; C84-F120 CarbonylContact O-C 3.55Å; C84-F120 VanDerWaalsContact O-CA 3.23Å; C84-F120 WeakPolarHBondContact O-CA 3.42Å; L86-F120 HydrophobicContact CD1-CD1 3.96Å; L86-F120 HydrophobicContact CD1-CE1 4.48Å; L86-F120 HydrophobicContact CG-CD1 4.07Å; R103-F120 HydrophobicContact CG-CE1 4.07Å; R103-F120 HydrophobicContact CG-CE2 4.36Å; R103-F120 HydrophobicContact CG-CZ 3.89Å; R103-F120 VanDerWaalsContact NH1-CD2 3.31Å; F106-F120 HydrophobicContact CB-CE1 4.48Å; F106-F120 AromaticContact CD1-CE1 3.77Å; F106-F120 HydrophobicContact CD1-CE1 3.77Å; F106-F120 AromaticContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CD1-CZ 3.58Å; F106-F120 HydrophobicContact CE1-CE1 4.37Å; F106-F120 HydrophobicContact CE1-CZ 4.1Å; F106-F120 HydrophobicContact CG-CE1 4.26Å; F106-F120 HydrophobicContact CG-CZ 4.44Å; L107-F120 HydrophobicContact CD2-CE2 3.91Å; L107-F120 HydrophobicContact CD2-CZ 3.75Å; L107-F120 HydrophobicContact CG-CE2 4.45Å; L107-F120 HydrophobicContact CG-CZ 4.02Å; F118-F120 HydrophobicContact CB-CE2 4.23Å; F118-F120 HydrophobicContact CD1-CD2 4.02Å; F118-F120 AromaticContact CD1-CE2 3.66Å; F118-F120 HydrophobicContact CD1-CE2 3.66Å; F118-F120 AromaticContact CD1-CZ 3.95Å; F118-F120 HydrophobicContact CD1-CZ 3.95Å; F118-F120 HydrophobicContact CG-CE2 4.4Å; F118-F120 WeakPolarHBondContact O-CD2 3.33Å; F118-F120 PolarHBondContact O-N 3.21Å; F118-F120 VanDerWaalsContact O-N 3.16Å; F120-I149 VanDerWaalsContact C-CG2 3.47Å; F120-I149 HydrophobicContact CB-CD1 3.9Å; F120-I149 HydrophobicContact CB-CG1 4.28Å; F120-I149 HydrophobicContact CB-CG2 3.69Å; F120-I149 HydrophobicContact CG-CD1 4.5Å; F120-I149 VanDerWaalsContact O-CG2 3.27Å; F120-I149 WeakPolarHBondContact O-CG2 3.42Å; F120-P150 WeakPolarHBondContact O-CD 3.48Å
121V98.8Very high96Very high0 Ų054.8 Ų54.80%028%0.278CS..EExtended strand (participates in β ladder)trans-138.6134.7164.31770000108.5C84 V85 L86 L123 P150 F152 I169C84-V121 PolarHBondContact O-N 3.43Å; V85-V121 CarbonylContact C-O 3.59Å; V85-V121 WeakPolarHBondContact CA-O 3.34Å; L86-V121 PolarHBondContact N-O 2.87Å; V121-L123 HydrophobicContact CG1-CD2 3.96Å; V121-P150 HydrophobicContact CG2-CB 4.4Å; V121-F152 HydrophobicContact CG1-CD2 3.84Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V121-I169 HydrophobicContact CB-CD1 4.41Å; V121-I169 HydrophobicContact CB-CG1 3.78Å; V121-I169 HydrophobicContact CG1-CD1 4.29Å; V121-I169 HydrophobicContact CG1-CG1 3.95Å; V121-I169 HydrophobicContact CG2-CG1 3.64Å
122V98.9Very high96.2Very high0 Ų055.3 Ų55.30%027%0.268CS..EExtended strand (participates in β ladder)trans-102.3131.4177.7-176.90000110.8L86 F88 L99 W142 I149 P150 Y151 F152L86-V122 HydrophobicContact CB-CG2 4.37Å; L86-V122 CarbonylContact O-C 3.59Å; L86-V122 WeakPolarHBondContact O-CA 3.47Å; F88-V122 HydrophobicContact CD1-CG1 3.96Å; F88-V122 HydrophobicContact CE1-CG1 3.77Å; L99-V122 HydrophobicContact CD1-CG1 4.08Å; V122-W142 HydrophobicContact CG2-CE3 4.31Å; V122-W142 HydrophobicContact CG2-CZ3 3.69Å; V122-I149 HydrophobicContact CG2-CG2 3.93Å; V122-P150 PolarHBondContact N-O 3.48Å; V122-Y151 HydrophobicContact CB-CD2 3.97Å; V122-Y151 HydrophobicContact CG1-CD2 3.83Å; V122-Y151 HydrophobicContact CG1-CE2 4.21Å; V122-Y151 WeakPolarHBondContact O-CA 3.3Å; V122-Y151 WeakPolarHBondContact O-CD2 3.48Å; V122-F152 PolarHBondContact O-N 3.47Å
123L98.9Very high96.4Very high1 Ų160.2 Ų60.21%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-115.9114.5174.2-50.7-176.1000110.4L24 V85 L86 V87 F88 V121 N125 F152 T154 A165L24-L123 HydrophobicContact CD1-CD1 3.9Å; V85-L123 HydrophobicContact CG1-CD1 3.48Å; V85-L123 VanDerWaalsContact CG1-CD1 3.48Å; V85-L123 HydrophobicContact CG1-CG 3.64Å; L86-L123 PolarHBondContact O-N 3.21Å; V87-L123 WeakPolarHBondContact CA-O 3.48Å; V87-L123 HydrophobicContact CG1-CB 4.44Å; V87-L123 HydrophobicContact CG2-CB 4.28Å; V87-L123 HydrophobicContact CG2-CD1 4.32Å; F88-L123 WeakPolarHBondContact CD1-O 3.27Å; F88-L123 PolarHBondContact N-O 2.87Å; V121-L123 HydrophobicContact CG1-CD2 3.96Å; L123-N125 PolarHBondContact O-N 3Å; L123-F152 CarbonylContact C-O 3.47Å; L123-F152 WeakPolarHBondContact CA-O 3.4Å; L123-F152 HydrophobicContact CD2-CB 3.83Å; L123-F152 HydrophobicContact CD2-CD2 4.19Å; L123-F152 HydrophobicContact CD2-CG 4.4Å; L123-T154 HydrophobicContact CD2-CG2 4.23Å; L123-A165 HydrophobicContact CD2-CB 3.62Å
124G98.8Very high96.8Very high0 Ų052.7 Ų52.70%026%0.261CS..EExtended strand (participates in β ladder)trans-87.695.7166.500000109.2F88 F152 E153 T154F88-G124 VanDerWaalsContact CE1-CA 3.41Å; G124-F152 PolarHBondContact N-O 3.12Å; G124-E153 WeakPolarHBondContact O-CA 3.3Å; G124-T154 PolarHBondContact O-N 3.43Å
125N98.9Very high97.1Very high3 Ų353.3 Ų53.32%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-88.7166-172.9-170.837.2000112.4V19 L24 V87 F88 V90 L123 T154 A156V19-N125 PolarHBondContact O-ND2 3.36Å; L24-N125 HydrophobicContact CD1-CB 4.21Å; V87-N125 HydrophobicContact CG1-CB 4.08Å; F88-N125 PolarHBondContact O-N 3.16Å; V90-N125 WeakPolarHBondContact CG2-O 3.31Å; V90-N125 PolarHBondContact N-O 2.93Å; L123-N125 PolarHBondContact O-N 3Å; N125-T154 CarbonylContact C-O 3.47Å; N125-T154 VanDerWaalsContact CA-O 3.29Å; N125-T154 WeakPolarHBondContact CA-O 3.39Å; N125-T154 WeakPolarHBondContact CA-OG1 3.43Å; N125-T154 PolarHBondContact OD1-O 2.83Å; N125-T154 PolarHBondContact OD1-OG1 3.06Å; N125-A156 PolarHBondContact OD1-N 3.41Å; N125-A156 VanDerWaalsContact OD1-N 3.16Å
126K98.5Very high97.3Very high50 Ų5053.2 Ų53.222%0.21727%0.266CS..  trans69.336.6178.5-45.5-168.1-163.3166.30114.4G18 V19 D89 D128 L129 T154G18-K126 VanDerWaalsContact O-CE 3.24Å; G18-K126 WeakPolarHBondContact O-CE 3.49Å; G18-K126 PolarHBondContact O-NZ 3.23Å; V19-K126 WeakPolarHBondContact O-CE 3.42Å; D89-K126 VanDerWaalsContact OD2-CD 3.3Å; D89-K126 WeakPolarHBondContact OD2-CD 3.11Å; D89-K126 WeakPolarHBondContact OD2-CE 3.4Å; D89-K126 IonicContact OD2-NZ 2.68Å; D89-K126 PolarHBondContact OD2-NZ 3.38Å; K126-D128 WeakPolarHBondContact CA-OD1 3.5Å; K126-D128 PolarHBondContact O-N 3.05Å; K126-L129 HydrophobicContact CB-CD1 3.93Å; K126-L129 HydrophobicContact CB-CG 4.23Å; K126-L129 HydrophobicContact CD-CD1 4.02Å; K126-L129 PolarHBondContact O-N 3.27Å; K126-L129 VanDerWaalsContact O-N 3.15Å; K126-T154 PolarHBondContact N-O 3.11Å
127I98.6Very high97.6Very high40 Ų4055.3 Ų55.321%0.20527%0.273CS..THydrogen-bonded Turntrans-67.3-12.4175.768.6179.6000114V90 L129 E153 T154 I160V90-I127 HydrophobicContact CG1-CG2 4.07Å; V90-I127 HydrophobicContact CG2-CG2 4.2Å; I127-L129 PolarHBondContact O-N 3.19Å; I127-E153 HydrophobicContact CD1-CB 4.14Å; I127-E153 HydrophobicContact CG2-CB 3.85Å; I127-E153 HydrophobicContact CG2-CG 4.26Å; I127-T154 WeakPolarHBondContact CG1-O 3.11Å; I127-T154 PolarHBondContact N-O 2.84Å; I127-I160 HydrophobicContact CD1-CB 4.28Å; I127-I160 HydrophobicContact CD1-CD1 4.49Å; I127-I160 HydrophobicContact CD1-CG2 3.81Å
128D98.2Very high97.8Very high37 Ų3756.1 Ų56.120%0.19827%0.269CS..THydrogen-bonded Turntrans-68.7-11.6171.456.9-79.6000113.4K126 S155 K157 E158K126-D128 WeakPolarHBondContact CA-OD1 3.5Å; K126-D128 PolarHBondContact O-N 3.05Å; D128-S155 VanDerWaalsContact CG-OG 3.27Å; D128-S155 VanDerWaalsContact OD1-CB 3.29Å; D128-S155 WeakPolarHBondContact OD1-CB 3.39Å; D128-S155 PolarHBondContact OD1-OG 3.37Å; D128-K157 VanDerWaalsContact OD2-CD 3.29Å; D128-K157 WeakPolarHBondContact OD2-CD 3.38Å; D128-K157 IonicContact OD2-NZ 2.68Å; D128-E158 HydrophobicContact CB-CG 3.94Å
129L97.1Very high97.9Very high72 Ų7255.7 Ų55.738%0.37727%0.267SS..SBendtrans-91.8134177.7-59-178.8000111.3T91 K126 I127 N131T91-L129 HydrophobicContact CG2-CB 3.63Å; T91-L129 HydrophobicContact CG2-CD1 3.85Å; T91-L129 HydrophobicContact CG2-CG 4.36Å; K126-L129 HydrophobicContact CB-CD1 3.93Å; K126-L129 HydrophobicContact CB-CG 4.23Å; K126-L129 HydrophobicContact CD-CD1 4.02Å; K126-L129 PolarHBondContact O-N 3.27Å; K126-L129 VanDerWaalsContact O-N 3.15Å; I127-L129 PolarHBondContact O-N 3.19Å; L129-N131 PolarHBondContact O-N 2.93Å
130E90.9Very high97.9Very high190 Ų19059 Ų5989%0.88828%0.281SS*.SBendtrans-70.1-28.9-175.8-62.5-177.8169.500113.8R132E130-R132 PolarHBondContact O-N 3.35Å
131N94.7Very high97.9Very high131 Ų13161.2 Ų61.270%0.70130%0.3SS*.  trans-83.151-175-68.3-38.3000113.1T91 L129 Q133T91-N131 WeakPolarHBondContact CB-O 3.25Å; L129-N131 PolarHBondContact O-N 2.93Å; N131-Q133 PolarHBondContact O-N 3.21Å
132R97.8Very high97.9Very high85 Ų8562.5 Ų62.532%0.32131%0.305SS..  trans-61.2132.3176.2175.4-179.2-77.3-142.72.2110.9V90 E130 V134 T136 E153V90-R132 HydrophobicContact CB-CG 4.44Å; E130-R132 PolarHBondContact O-N 3.35Å; R132-V134 WeakPolarHBondContact CD-O 3.5Å; R132-V134 VanDerWaalsContact CG-O 3.26Å; R132-V134 WeakPolarHBondContact CG-O 3.44Å; R132-T136 PolarHBondContact NH1-OG1 3.32Å; R132-E153 IonicContact CZ-OE1 3.21Å; R132-E153 IonicContact CZ-OE2 2.73Å; R132-E153 IonicContact NH1-OE1 3.8Å; R132-E153 PolarHBondContact NH1-OE1 3.3Å; R132-E153 IonicContact NH1-OE2 3.39Å; R132-E153 IonicContact NH2-OE1 2.74Å; R132-E153 PolarHBondContact NH2-OE1 3.21Å; R132-E153 IonicContact NH2-OE2 3.5Å; R132-E153 PolarHBondContact NH2-OE2 2.93Å
133Q98.3Very high97.8Very high121 Ų12162.7 Ų62.757%0.56531%0.306SS*.  trans-121.8-12.9176.7-58.2-169.333.700113.8V90 T91 P93 N131V90-Q133 PolarHBondContact O-N 3.12Å; T91-Q133 VanDerWaalsContact O-CD 3.3Å; T91-Q133 WeakPolarHBondContact O-CG 3.28Å; T91-Q133 PolarHBondContact O-NE2 2.89Å; T91-Q133 VanDerWaalsContact O-NE2 3.11Å; P93-Q133 HydrophobicContact CG-CB 3.4Å; P93-Q133 HydrophobicContact CG-CG 4.33Å; N131-Q133 PolarHBondContact O-N 3.21Å
134V98.4Very high97.8Very high0 Ų068.5 Ų68.50%033%0.333CS..SBendtrans-109.7118.4172.5-174.10000109.1F88 V90 P93 F96 R132F88-V134 HydrophobicContact CE2-CB 3.93Å; F88-V134 HydrophobicContact CE2-CG1 3.75Å; F88-V134 HydrophobicContact CE2-CG2 4.21Å; F88-V134 HydrophobicContact CZ-CG1 4.19Å; V90-V134 PolarHBondContact O-N 3.35Å; P93-V134 HydrophobicContact CB-CG2 4.31Å; P93-V134 HydrophobicContact CG-CG2 4.42Å; F96-V134 HydrophobicContact CB-CG1 4.37Å; F96-V134 HydrophobicContact CB-CG2 4Å; F96-V134 HydrophobicContact CD1-CG1 4.3Å; F96-V134 HydrophobicContact CD2-CG1 4.08Å; F96-V134 HydrophobicContact CE2-CG1 4.5Å; F96-V134 HydrophobicContact CG-CG1 3.97Å; F96-V134 HydrophobicContact CG-CG2 4.46Å; R132-V134 WeakPolarHBondContact CD-O 3.5Å; R132-V134 VanDerWaalsContact CG-O 3.26Å; R132-V134 WeakPolarHBondContact CG-O 3.44Å
135T98.3Very high97.7Very high82 Ų8272.5 Ų72.550%0.50336%0.361SS..  trans-78.2148.7-179.763.70000111.4K137 R138 A139T135-K137 VanDerWaalsContact C-N 3.25Å; T135-K137 PolarHBondContact O-N 3.44Å; T135-R138 WeakPolarHBondContact O-CB 3.4Å; T135-R138 PolarHBondContact O-N 2.84Å; T135-R138 VanDerWaalsContact O-N 3.08Å; T135-R138 VanDerWaalsContact OG1-CB 3.32Å; T135-R138 WeakPolarHBondContact OG1-CB 3.27Å; T135-R138 PolarHBondContact OG1-N 3Å; T135-A139 PolarHBondContact O-N 3.15Å; T135-A139 VanDerWaalsContact O-N 3.12Å
136T98.2Very high97.6Very high48 Ų4874.8 Ų74.829%0.29437%0.371SS..Hα-helixtrans-53-46.1175.8-48.30000111R132 R138 A139 Q140 Y151 E153R132-T136 PolarHBondContact NH1-OG1 3.32Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 2.82Å; T136-A139 PolarHBondContact O-N 3.25Å; T136-Q140 HydrophobicContact CG2-CG 4.27Å; T136-Q140 WeakPolarHBondContact O-CB 3.45Å; T136-Q140 WeakPolarHBondContact O-CG 3.47Å; T136-Q140 PolarHBondContact O-N 2.97Å; T136-Y151 HydrophobicContact CG2-CE1 4.17Å; T136-E153 VanDerWaalsContact CB-OE1 3.3Å; T136-E153 WeakPolarHBondContact CB-OE1 3.38Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.38Å; T136-E153 PolarHBondContact OG1-OE1 2.65Å
137K98.4Very high97.4Very high169 Ų16976.9 Ų76.974%0.73539%0.385SS*.Hα-helixtrans-58.1-41.6179.5-174.9178.4-179.5179.40112.2T135 A141T135-K137 VanDerWaalsContact C-N 3.25Å; T135-K137 PolarHBondContact O-N 3.44Å; K137-A141 VanDerWaalsContact O-CB 3.32Å; K137-A141 WeakPolarHBondContact O-CB 3.32Å; K137-A141 PolarHBondContact O-N 2.8Å
138R98.3Very high97.3Very high116 Ų11680.7 Ų80.744%0.43841%0.405SS..Hα-helixtrans-66-45.7178.4179.5179.3177.6173.31.9111.3F96 T135 T136 A141 W142F96-R138 HydrophobicContact CE1-CG 4.03Å; F96-R138 HydrophobicContact CZ-CG 4.41Å; T135-R138 WeakPolarHBondContact O-CB 3.4Å; T135-R138 PolarHBondContact O-N 2.84Å; T135-R138 VanDerWaalsContact O-N 3.08Å; T135-R138 VanDerWaalsContact OG1-CB 3.32Å; T135-R138 WeakPolarHBondContact OG1-CB 3.27Å; T135-R138 PolarHBondContact OG1-N 3Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 2.82Å; R138-A141 PolarHBondContact O-N 2.88Å; R138-W142 PolarHBondContact O-N 2.85Å
139A98.4Very high97.3Very high0 Ų079.5 Ų79.50%040%0.399CS..Hα-helixtrans-64.4-44.9178.700000112F88 F96 T135 T136 A141 W142 C143 Y151F88-A139 HydrophobicContact CE1-CB 4.38Å; F88-A139 HydrophobicContact CZ-CB 3.9Å; F96-A139 HydrophobicContact CE2-CB 3.88Å; F96-A139 HydrophobicContact CZ-CB 4.38Å; T135-A139 PolarHBondContact O-N 3.15Å; T135-A139 VanDerWaalsContact O-N 3.12Å; T136-A139 PolarHBondContact O-N 3.25Å; A139-A141 PolarHBondContact O-N 3.11Å; A139-W142 PolarHBondContact O-N 2.84Å; A139-C143 PolarHBondContact O-N 2.59Å; A139-C143 PolarHBondContact O-SG 3.02Å; A139-Y151 HydrophobicContact CB-CD1 4.4Å; A139-Y151 HydrophobicContact CB-CD2 4.47Å; A139-Y151 HydrophobicContact CB-CE1 3.76Å; A139-Y151 HydrophobicContact CB-CE2 3.88Å; A139-Y151 VanDerWaalsContact CB-CZ 3.46Å
140Q98.4Very high97.4Very high89 Ų8978.1 Ų78.142%0.41639%0.394SS..Hα-helixtrans-60.9-43.6176.1-74.5175.3-26.200112.5T136 W142 C143 Q144 Y151T136-Q140 HydrophobicContact CG2-CG 4.27Å; T136-Q140 WeakPolarHBondContact O-CB 3.45Å; T136-Q140 WeakPolarHBondContact O-CG 3.47Å; T136-Q140 PolarHBondContact O-N 2.97Å; Q140-W142 VanDerWaalsContact C-N 3.31Å; Q140-W142 PolarHBondContact O-N 2.77Å; Q140-C143 PolarHBondContact O-N 2.84Å; Q140-Q144 WeakPolarHBondContact O-CG 3.32Å; Q140-Q144 PolarHBondContact O-N 3.17Å; Q140-Y151 HydrophobicContact CG-CD1 3.61Å; Q140-Y151 HydrophobicContact CG-CE1 4.14Å
141A98.6Very high97.8Very high51 Ų5170.8 Ų70.842%0.42136%0.359SS..Hα-helixtrans-60.8-40.517800000112.1K137 R138 A139 Q144 S145K137-A141 VanDerWaalsContact O-CB 3.32Å; K137-A141 WeakPolarHBondContact O-CB 3.32Å; K137-A141 PolarHBondContact O-N 2.8Å; R138-A141 PolarHBondContact O-N 2.88Å; A139-A141 PolarHBondContact O-N 3.11Å; A141-Q144 PolarHBondContact O-N 2.78Å; A141-S145 PolarHBondContact O-N 3.17Å; A141-S145 VanDerWaalsContact O-N 3.08Å
142W98.5Very high98Very high28 Ų2866.5 Ų66.511%0.10633%0.334CS..Hα-helixtrans-63.2-46.6174-175.693000111.2L86 F96 L99 D100 V122 R138 A139 Q140 Q144 S145 K146 I149L86-W142 HydrophobicContact CD1-CH2 3.99Å; L86-W142 HydrophobicContact CD1-CZ3 4.5Å; F96-W142 HydrophobicContact CE2-CB 4.43Å; F96-W142 HydrophobicContact CZ-CB 3.66Å; F96-W142 AromaticContact CZ-CG 3.98Å; F96-W142 HydrophobicContact CZ-CG 3.98Å; L99-W142 HydrophobicContact CB-CH2 3.93Å; L99-W142 HydrophobicContact CB-CZ2 3.79Å; L99-W142 HydrophobicContact CD1-CZ3 4.41Å; D100-W142 PolarHBondContact OD1-NE1 3.29Å; D100-W142 PolarHBondContact OD2-NE1 3.07Å; V122-W142 HydrophobicContact CG2-CE3 4.31Å; V122-W142 HydrophobicContact CG2-CZ3 3.69Å; R138-W142 PolarHBondContact O-N 2.85Å; A139-W142 PolarHBondContact O-N 2.84Å; Q140-W142 VanDerWaalsContact C-N 3.31Å; Q140-W142 PolarHBondContact O-N 2.77Å; W142-Q144 VanDerWaalsContact C-N 3.32Å; W142-Q144 PolarHBondContact O-N 2.81Å; W142-S145 PolarHBondContact O-N 3.37Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 3.45Å; W142-K146 HydrophobicContact CD2-CG 4.16Å; W142-K146 HydrophobicContact CE3-CG 4.25Å; W142-K146 HydrophobicContact CH2-CG 4.11Å; W142-K146 HydrophobicContact CZ2-CD 4.5Å; W142-K146 HydrophobicContact CZ2-CG 4.02Å; W142-K146 HydrophobicContact CZ3-CG 4.21Å; W142-K146 WeakPolarHBondContact O-CG 3.32Å; W142-K146 PolarHBondContact O-N 3Å; W142-I149 HydrophobicContact CH2-CD1 4.47Å; W142-I149 HydrophobicContact CZ3-CD1 4.02Å
143C98.4Very high98Very high3 Ų364.3 Ų64.32%0.0233%0.327CS..Hα-helixtrans-61-40.4178.9-62.20000112.6A139 Q140 S145 K146 N148 I149A139-C143 PolarHBondContact O-N 2.59Å; A139-C143 PolarHBondContact O-SG 3.02Å; Q140-C143 PolarHBondContact O-N 2.84Å; C143-S145 VanDerWaalsContact C-N 3.34Å; C143-S145 PolarHBondContact O-N 3Å; C143-K146 PolarHBondContact O-N 3.46Å; C143-N148 WeakPolarHBondContact O-CA 3.44Å; C143-N148 PolarHBondContact O-N 3.23Å; C143-I149 HydrophobicContact CB-CB 4.19Å; C143-I149 VanDerWaalsContact CB-O 3.31Å; C143-I149 WeakPolarHBondContact CB-O 3.03Å; C143-I149 PolarHBondContact O-N 2.99Å
144Q97.9Very high98Very high123 Ų12358.5 Ų58.558%0.57530%0.3SS*.Hα-helixtrans-59.6-43.2173.6-74.2171.3-1.700111.9Q140 A141 W142 K146 N148Q140-Q144 WeakPolarHBondContact O-CG 3.32Å; Q140-Q144 PolarHBondContact O-N 3.17Å; A141-Q144 PolarHBondContact O-N 2.78Å; W142-Q144 VanDerWaalsContact C-N 3.32Å; W142-Q144 PolarHBondContact O-N 2.81Å; Q144-K146 PolarHBondContact O-N 2.99Å; Q144-N148 PolarHBondContact O-N 3.05Å
145S97.6Very high98.1Very high85 Ų8558.5 Ų58.559%0.59430%0.3SS*.Hα-helixtrans-66.1-16.6178.5770000114.4A141 W142 C143A141-S145 PolarHBondContact O-N 3.17Å; A141-S145 VanDerWaalsContact O-N 3.08Å; W142-S145 PolarHBondContact O-N 3.37Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 3.45Å; C143-S145 VanDerWaalsContact C-N 3.34Å; C143-S145 PolarHBondContact O-N 3Å
146K96.2Very high98.1Very high51 Ų5154.7 Ų54.722%0.22228%0.277CS..THydrogen-bonded Turntrans-107.443.3-177.1-59.9-65.6-174.4169.40112.5D100 W142 C143 Q144 I149D100-K146 WeakPolarHBondContact OD1-CE 3.49Å; D100-K146 IonicContact OD1-NZ 3.5Å; D100-K146 PolarHBondContact OD1-NZ 3.33Å; W142-K146 HydrophobicContact CD2-CG 4.16Å; W142-K146 HydrophobicContact CE3-CG 4.25Å; W142-K146 HydrophobicContact CH2-CG 4.11Å; W142-K146 HydrophobicContact CZ2-CD 4.5Å; W142-K146 HydrophobicContact CZ2-CG 4.02Å; W142-K146 HydrophobicContact CZ3-CG 4.21Å; W142-K146 WeakPolarHBondContact O-CG 3.32Å; W142-K146 PolarHBondContact O-N 3Å; C143-K146 PolarHBondContact O-N 3.46Å; Q144-K146 PolarHBondContact O-N 2.99Å; K146-I149 HydrophobicContact CB-CD1 3.48Å; K146-I149 VanDerWaalsContact CB-CD1 3.48Å; K146-I149 HydrophobicContact CB-CG1 3.91Å; K146-I149 HydrophobicContact CG-CD1 4.4Å; K146-I149 WeakPolarHBondContact O-CG1 3.26Å
147N94.9Very high98.1Very high94 Ų9457.2 Ų57.250%0.50328%0.284SS..THydrogen-bonded Turntrans67.941.8-176.3-158.924.5000113.4E116 N117 I149E116-N147 PolarHBondContact O-ND2 3.33Å; N117-N147 PolarHBondContact OD1-ND2 3.29Å; N147-I149 PolarHBondContact O-N 3.08Å
148N96.3Very high98Very high119 Ų11954.4 Ų54.464%0.63627%0.273SS*.SBendtrans54.948.5174.6-162.546.2000114.6C143 Q144C143-N148 WeakPolarHBondContact O-CA 3.44Å; C143-N148 PolarHBondContact O-N 3.23Å; Q144-N148 PolarHBondContact O-N 3.05Å
149I98.3Very high98.1Very high13 Ų1351.3 Ų51.37%0.06727%0.272CS..  trans-58.2133.8178-52179000110.1F120 V122 W142 C143 K146 N147 Y151F120-I149 VanDerWaalsContact C-CG2 3.47Å; F120-I149 HydrophobicContact CB-CD1 3.9Å; F120-I149 HydrophobicContact CB-CG1 4.28Å; F120-I149 HydrophobicContact CB-CG2 3.69Å; F120-I149 HydrophobicContact CG-CD1 4.5Å; F120-I149 VanDerWaalsContact O-CG2 3.27Å; F120-I149 WeakPolarHBondContact O-CG2 3.42Å; V122-I149 HydrophobicContact CG2-CG2 3.93Å; W142-I149 HydrophobicContact CH2-CD1 4.47Å; W142-I149 HydrophobicContact CZ3-CD1 4.02Å; C143-I149 HydrophobicContact CB-CB 4.19Å; C143-I149 VanDerWaalsContact CB-O 3.31Å; C143-I149 WeakPolarHBondContact CB-O 3.03Å; C143-I149 PolarHBondContact O-N 2.99Å; K146-I149 HydrophobicContact CB-CD1 3.48Å; K146-I149 VanDerWaalsContact CB-CD1 3.48Å; K146-I149 HydrophobicContact CB-CG1 3.91Å; K146-I149 HydrophobicContact CG-CD1 4.4Å; K146-I149 WeakPolarHBondContact O-CG1 3.26Å; N147-I149 PolarHBondContact O-N 3.08Å; I149-Y151 PolarHBondContact O-N 3.47Å
150P98.6Very high98.1Very high42 Ų4254.1 Ų54.127%0.27329%0.287SS..  trans-58.8134.3171.1-2534.7000112.2F120 V121 V122 F152 T168F120-P150 WeakPolarHBondContact O-CD 3.48Å; V121-P150 HydrophobicContact CG2-CB 4.4Å; V122-P150 PolarHBondContact N-O 3.48Å; P150-F152 HydrophobicContact CB-CE2 4.05Å; P150-T168 HydrophobicContact CB-CG2 4.22Å; P150-T168 HydrophobicContact CG-CG2 4.37Å
151Y98.8Very high98.1Very high36 Ų3652.6 Ų52.614%0.14128%0.281CS..EExtended strand (participates in β ladder)trans-121.7132179.6174.1-122.3000111.4F88 V122 T136 A139 Q140 I149 E153F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 AromaticContact CZ-CE2 3.98Å; F88-Y151 HydrophobicContact CZ-CE2 3.98Å; V122-Y151 HydrophobicContact CB-CD2 3.97Å; V122-Y151 HydrophobicContact CG1-CD2 3.83Å; V122-Y151 HydrophobicContact CG1-CE2 4.21Å; V122-Y151 WeakPolarHBondContact O-CA 3.3Å; V122-Y151 WeakPolarHBondContact O-CD2 3.48Å; T136-Y151 HydrophobicContact CG2-CE1 4.17Å; A139-Y151 HydrophobicContact CB-CD1 4.4Å; A139-Y151 HydrophobicContact CB-CD2 4.47Å; A139-Y151 HydrophobicContact CB-CE1 3.76Å; A139-Y151 HydrophobicContact CB-CE2 3.88Å; A139-Y151 VanDerWaalsContact CB-CZ 3.46Å; Q140-Y151 HydrophobicContact CG-CD1 3.61Å; Q140-Y151 HydrophobicContact CG-CE1 4.14Å; I149-Y151 PolarHBondContact O-N 3.47Å; Y151-E153 HydrophobicContact CE1-CG 3.82Å; Y151-E153 WeakPolarHBondContact OH-CG 3.19Å; Y151-E153 PolarHBondContact OH-OE1 3.31Å
152F98.9Very high98.1Very high42 Ų4250.3 Ų50.318%0.18426%0.262CS..EExtended strand (participates in β ladder)trans-126.4138173.7-62.2-93.6000110.9V121 V122 L123 G124 P150 T154 Q164 A165 T168V121-F152 HydrophobicContact CG1-CD2 3.84Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V122-F152 PolarHBondContact O-N 3.47Å; L123-F152 CarbonylContact C-O 3.47Å; L123-F152 WeakPolarHBondContact CA-O 3.4Å; L123-F152 HydrophobicContact CD2-CB 3.83Å; L123-F152 HydrophobicContact CD2-CD2 4.19Å; L123-F152 HydrophobicContact CD2-CG 4.4Å; G124-F152 PolarHBondContact N-O 3.12Å; P150-F152 HydrophobicContact CB-CE2 4.05Å; F152-T154 HydrophobicContact CB-CG2 4.06Å; F152-Q164 HydrophobicContact CE1-CB 4.42Å; F152-A165 HydrophobicContact CB-CB 4.03Å; F152-A165 HydrophobicContact CD1-CB 4.22Å; F152-A165 HydrophobicContact CD2-CB 3.97Å; F152-A165 HydrophobicContact CG-CB 3.8Å; F152-T168 HydrophobicContact CE2-CG2 4.02Å; F152-T168 HydrophobicContact CZ-CG2 4.04Å; F152-T168 VanDerWaalsContact CZ-OG1 3.29Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.38Å
153E98.8Very high98.1Very high38 Ų3851.9 Ų51.918%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-91.9121.3166.3-80.1-168.8177.200108.8G124 I127 R132 T136 Y151 N161G124-E153 WeakPolarHBondContact O-CA 3.3Å; I127-E153 HydrophobicContact CD1-CB 4.14Å; I127-E153 HydrophobicContact CG2-CB 3.85Å; I127-E153 HydrophobicContact CG2-CG 4.26Å; R132-E153 IonicContact CZ-OE1 3.21Å; R132-E153 IonicContact CZ-OE2 2.73Å; R132-E153 IonicContact NH1-OE1 3.8Å; R132-E153 PolarHBondContact NH1-OE1 3.3Å; R132-E153 IonicContact NH1-OE2 3.39Å; R132-E153 IonicContact NH2-OE1 2.74Å; R132-E153 PolarHBondContact NH2-OE1 3.21Å; R132-E153 IonicContact NH2-OE2 3.5Å; R132-E153 PolarHBondContact NH2-OE2 2.93Å; T136-E153 VanDerWaalsContact CB-OE1 3.3Å; T136-E153 WeakPolarHBondContact CB-OE1 3.38Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.38Å; T136-E153 PolarHBondContact OG1-OE1 2.65Å; Y151-E153 HydrophobicContact CE1-CG 3.82Å; Y151-E153 WeakPolarHBondContact OH-CG 3.19Å; Y151-E153 PolarHBondContact OH-OE1 3.31Å; E153-N161 VanDerWaalsContact O-CB 3.22Å; E153-N161 WeakPolarHBondContact O-CB 3.49Å; E153-N161 PolarHBondContact O-ND2 2.95Å
154T98.9Very high98.1Very high0 Ų056.6 Ų56.60%029%0.293CS..EExtended strand (participates in β ladder)trans-127.1154.3-170.259.70000112.9L123 G124 N125 K126 I127 F152 I160 N161 A165L123-T154 HydrophobicContact CD2-CG2 4.23Å; G124-T154 PolarHBondContact O-N 3.43Å; N125-T154 CarbonylContact C-O 3.47Å; N125-T154 VanDerWaalsContact CA-O 3.29Å; N125-T154 WeakPolarHBondContact CA-O 3.39Å; N125-T154 WeakPolarHBondContact CA-OG1 3.43Å; N125-T154 PolarHBondContact OD1-O 2.83Å; N125-T154 PolarHBondContact OD1-OG1 3.06Å; K126-T154 PolarHBondContact N-O 3.11Å; I127-T154 WeakPolarHBondContact CG1-O 3.11Å; I127-T154 PolarHBondContact N-O 2.84Å; F152-T154 HydrophobicContact CB-CG2 4.06Å; T154-I160 VanDerWaalsContact CA-O 3.31Å; T154-I160 WeakPolarHBondContact CA-O 3.26Å; T154-N161 HydrophobicContact CG2-CB 4.12Å; T154-A165 HydrophobicContact CG2-CB 4.34Å
155S98.7Very high98.1Very high0 Ų050.8 Ų50.80%027%0.265CS..BIsolated β-bridgetrans-127.4111.2161.4176.70000109D128 K157 E158 A159 I160D128-S155 VanDerWaalsContact CG-OG 3.27Å; D128-S155 VanDerWaalsContact OD1-CB 3.29Å; D128-S155 WeakPolarHBondContact OD1-CB 3.39Å; D128-S155 PolarHBondContact OD1-OG 3.37Å; S155-K157 PolarHBondContact O-N 2.92Å; S155-K157 PolarHBondContact OG-N 2.68Å; S155-E158 PolarHBondContact OG-N 2.68Å; S155-A159 CarbonylContact O-C 3.49Å; S155-A159 VanDerWaalsContact O-CA 3.26Å; S155-A159 WeakPolarHBondContact O-CA 3.46Å; S155-A159 PolarHBondContact O-N 3.37Å; S155-I160 PolarHBondContact N-O 2.98Å; S155-I160 PolarHBondContact O-N 3.02Å
156A98.4Very high98.1Very high2 Ų246.8 Ų46.82%0.01724%0.237CC..THydrogen-bonded Turntrans-61.1-33168.800000112L24 Q27 F33 N125L24-A156 HydrophobicContact CD2-CB 3.9Å; L24-A156 HydrophobicContact CG-CB 4.05Å; Q27-A156 VanDerWaalsContact CG-O 3.27Å; Q27-A156 WeakPolarHBondContact CG-O 3.32Å; Q27-A156 PolarHBondContact NE2-O 3.09Å; F33-A156 HydrophobicContact CD2-CB 4.33Å; F33-A156 HydrophobicContact CE2-CB 4.48Å; N125-A156 PolarHBondContact OD1-N 3.41Å; N125-A156 VanDerWaalsContact OD1-N 3.16Å
157K98.1Very high98.2Very high101 Ų10146.9 Ų46.944%0.43924%0.239SC..THydrogen-bonded Turntrans-69.1-46.7-178.5-179.6-175.7173.5-163.30111.8F33 D128 S155F33-K157 HydrophobicContact CD1-CB 4.27Å; F33-K157 HydrophobicContact CD1-CG 4.04Å; F33-K157 HydrophobicContact CD2-CB 4.27Å; F33-K157 HydrophobicContact CE1-CB 3.93Å; F33-K157 HydrophobicContact CE1-CD 4.33Å; F33-K157 HydrophobicContact CE1-CG 3.67Å; F33-K157 HydrophobicContact CE2-CB 3.95Å; F33-K157 HydrophobicContact CG-CB 4.42Å; F33-K157 HydrophobicContact CZ-CB 3.77Å; F33-K157 HydrophobicContact CZ-CD 4.5Å; F33-K157 HydrophobicContact CZ-CG 3.99Å; D128-K157 VanDerWaalsContact OD2-CD 3.29Å; D128-K157 WeakPolarHBondContact OD2-CD 3.38Å; D128-K157 IonicContact OD2-NZ 2.68Å; S155-K157 PolarHBondContact O-N 2.92Å; S155-K157 PolarHBondContact OG-N 2.68Å
158E98.2Very high98.4Very high110 Ų11043.7 Ų43.751%0.51422%0.223SC..THydrogen-bonded Turntrans-99.66.2-175.8-59.8-169.9167.700113.2D128 S155 I160D128-E158 HydrophobicContact CB-CG 3.94Å; S155-E158 PolarHBondContact OG-N 2.68Å; E158-I160 HydrophobicContact CB-CD1 3.85Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 2.65Å; E158-I160 WeakPolarHBondContact OE2-CD1 3.24Å
159A98.3Very high98.5Very high50 Ų5038 Ų3841%0.41319%0.192SC..THydrogen-bonded Turntrans60.119.6-176.400000114.8Q27 S155 N161Q27-A159 HydrophobicContact CG-CB 4.31Å; S155-A159 CarbonylContact O-C 3.49Å; S155-A159 VanDerWaalsContact O-CA 3.26Å; S155-A159 WeakPolarHBondContact O-CA 3.46Å; S155-A159 PolarHBondContact O-N 3.37Å; A159-N161 PolarHBondContact O-N 3.43Å
160I98.8Very high98.5Very high59 Ų5937.4 Ų37.430%0.30319%0.189SC..BIsolated β-bridgetrans-73126.9-176.8-58.1168.5000109.9I127 T154 S155 E158 V162I127-I160 HydrophobicContact CD1-CB 4.28Å; I127-I160 HydrophobicContact CD1-CD1 4.49Å; I127-I160 HydrophobicContact CD1-CG2 3.81Å; T154-I160 VanDerWaalsContact CA-O 3.31Å; T154-I160 WeakPolarHBondContact CA-O 3.26Å; S155-I160 PolarHBondContact N-O 2.98Å; S155-I160 PolarHBondContact O-N 3.02Å; E158-I160 HydrophobicContact CB-CD1 3.85Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 2.65Å; E158-I160 WeakPolarHBondContact OE2-CD1 3.24Å; I160-V162 PolarHBondContact O-N 3.46Å
161N98.6Very high98.5Very high57 Ų5740.3 Ų40.331%0.30520%0.195SC..THydrogen-bonded Turntrans577.5177.3-68-30.1000116.4E153 T154 A159 Q164 A165E153-N161 VanDerWaalsContact O-CB 3.22Å; E153-N161 WeakPolarHBondContact O-CB 3.49Å; E153-N161 PolarHBondContact O-ND2 2.95Å; T154-N161 HydrophobicContact CG2-CB 4.12Å; A159-N161 PolarHBondContact O-N 3.43Å; N161-Q164 VanDerWaalsContact CA-OE1 3.23Å; N161-A165 VanDerWaalsContact O-CB 3.26Å; N161-A165 WeakPolarHBondContact O-CB 3.29Å; N161-A165 PolarHBondContact O-N 2.77Å
162V98.7Very high98.4Very high3 Ų340.5 Ų40.52%0.01820%0.198CC..Hα-helixtrans-64-48.6-178.6179.10000110.3L24 Q27 Y28 I160 Q164 A165 F166L24-V162 HydrophobicContact CD2-CG2 4.02Å; Q27-V162 HydrophobicContact CG-CG1 4.4Å; Q27-V162 HydrophobicContact CG-CG2 4.28Å; Y28-V162 HydrophobicContact CD2-CG1 4.43Å; I160-V162 PolarHBondContact O-N 3.46Å; V162-Q164 PolarHBondContact O-N 3.29Å; V162-A165 PolarHBondContact O-N 3.27Å; V162-F166 HydrophobicContact CG1-CD2 4.01Å; V162-F166 HydrophobicContact CG1-CE2 4.16Å; V162-F166 WeakPolarHBondContact O-CD2 3.23Å; V162-F166 PolarHBondContact O-N 2.92Å; V162-F166 VanDerWaalsContact O-N 3.09Å
163E98.1Very high98.4Very high62 Ų6238.5 Ų38.529%0.2919%0.189SC..Hα-helixtrans-65.6-42.9-178.4-160.770.6-150.800111.6Y28 K31 K48 A165 F166 Q167Y28-E163 VanDerWaalsContact CE2-OE1 3.32Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.29Å; K31-E163 IonicContact NZ-OE2 3.68Å; K31-E163 PolarHBondContact NZ-OE2 3.43Å; K48-E163 IonicContact NZ-OE1 3.92Å; K48-E163 PolarHBondContact NZ-OE1 3Å; K48-E163 IonicContact NZ-OE2 3.34Å; E163-A165 PolarHBondContact O-N 3.25Å; E163-F166 PolarHBondContact O-N 2.98Å; E163-Q167 WeakPolarHBondContact O-CB 3.41Å; E163-Q167 VanDerWaalsContact O-CG 3.26Å; E163-Q167 WeakPolarHBondContact O-CG 3.16Å; E163-Q167 PolarHBondContact O-N 3.25Å
164Q98.4Very high98.3Very high102 Ų10237.6 Ų37.648%0.47719%0.186SC..Hα-helixtrans-62.6-42.2179.8-63.787-25.400111.9F152 N161 V162 T168F152-Q164 HydrophobicContact CE1-CB 4.42Å; N161-Q164 VanDerWaalsContact CA-OE1 3.23Å; V162-Q164 PolarHBondContact O-N 3.29Å; Q164-T168 PolarHBondContact O-N 3.45Å; Q164-T168 PolarHBondContact O-OG1 3.31Å; Q164-T168 VanDerWaalsContact O-OG1 3.08Å
165A98.7Very high98.1Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-62.2-51.4175.500000111.1L123 F152 T154 N161 V162 E163 Q167 T168 I169L123-A165 HydrophobicContact CD2-CB 3.62Å; F152-A165 HydrophobicContact CB-CB 4.03Å; F152-A165 HydrophobicContact CD1-CB 4.22Å; F152-A165 HydrophobicContact CD2-CB 3.97Å; F152-A165 HydrophobicContact CG-CB 3.8Å; T154-A165 HydrophobicContact CG2-CB 4.34Å; N161-A165 VanDerWaalsContact O-CB 3.26Å; N161-A165 WeakPolarHBondContact O-CB 3.29Å; N161-A165 PolarHBondContact O-N 2.77Å; V162-A165 PolarHBondContact O-N 3.27Å; E163-A165 PolarHBondContact O-N 3.25Å; A165-Q167 VanDerWaalsContact C-N 3.33Å; A165-Q167 PolarHBondContact O-N 2.74Å; A165-T168 WeakPolarHBondContact O-CB 3.49Å; A165-T168 PolarHBondContact O-N 2.78Å; A165-T168 VanDerWaalsContact O-N 3.13Å; A165-I169 WeakPolarHBondContact O-CD1 3.41Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.19Å; A165-I169 PolarHBondContact O-N 3.33Å
166F98.5Very high97.8Very high1 Ų145.1 Ų45.10%0.00422%0.219CC..Hα-helixtrans-68.4-29.2-178.5-84.9-89000113.7I13 L24 Y28 M59 I61 V162 E163 I169 A170I13-F166 HydrophobicContact CD1-CE1 4.43Å; I13-F166 HydrophobicContact CD1-CZ 4.05Å; L24-F166 HydrophobicContact CB-CE2 4.47Å; Y28-F166 HydrophobicContact CD1-CB 4Å; Y28-F166 AromaticContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD1 3.45Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.45Å; Y28-F166 HydrophobicContact CD1-CD2 4.1Å; Y28-F166 AromaticContact CD1-CE1 3.87Å; Y28-F166 HydrophobicContact CD1-CE1 3.87Å; Y28-F166 HydrophobicContact CD1-CE2 4.46Å; Y28-F166 AromaticContact CD1-CG 3.58Å; Y28-F166 HydrophobicContact CD1-CG 3.58Å; Y28-F166 HydrophobicContact CD1-CZ 4.35Å; Y28-F166 HydrophobicContact CD2-CB 3.53Å; Y28-F166 HydrophobicContact CD2-CD1 4.41Å; Y28-F166 AromaticContact CD2-CD2 3.85Å; Y28-F166 HydrophobicContact CD2-CD2 3.85Å; Y28-F166 AromaticContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CD2-CG 3.69Å; Y28-F166 HydrophobicContact CE1-CB 3.74Å; Y28-F166 AromaticContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CD1 3.59Å; Y28-F166 HydrophobicContact CE1-CE1 4.37Å; Y28-F166 AromaticContact CE1-CG 3.77Å; Y28-F166 HydrophobicContact CE1-CG 3.77Å; Y28-F166 HydrophobicContact CE2-CB 3.25Å; Y28-F166 HydrophobicContact CE2-CD2 4.47Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.89Å; Y28-F166 AromaticContact CG-CD1 3.88Å; Y28-F166 HydrophobicContact CG-CD1 3.88Å; Y28-F166 AromaticContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CD2 3.64Å; Y28-F166 HydrophobicContact CG-CE1 4.31Å; Y28-F166 HydrophobicContact CG-CE2 4.08Å; Y28-F166 AromaticContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CZ 4.39Å; Y28-F166 AromaticContact CZ-CG 3.93Å; M59-F166 HydrophobicContact CE-CD1 4.2Å; I61-F166 HydrophobicContact CD1-CD1 4.11Å; I61-F166 HydrophobicContact CD1-CE1 3.82Å; I61-F166 HydrophobicContact CG1-CE1 4.38Å; I61-F166 HydrophobicContact CG2-CE1 4.05Å; V162-F166 HydrophobicContact CG1-CD2 4.01Å; V162-F166 HydrophobicContact CG1-CE2 4.16Å; V162-F166 WeakPolarHBondContact O-CD2 3.23Å; V162-F166 PolarHBondContact O-N 2.92Å; V162-F166 VanDerWaalsContact O-N 3.09Å; E163-F166 PolarHBondContact O-N 2.98Å; F166-I169 HydrophobicContact CD1-CD1 4.21Å; F166-I169 HydrophobicContact CG-CD1 4.27Å; F166-I169 PolarHBondContact O-N 3.43Å; F166-A170 WeakPolarHBondContact O-CB 3.43Å; F166-A170 PolarHBondContact O-N 3.05Å
167Q98.1Very high97.5Very high54 Ų5445.9 Ų45.925%0.25222%0.222SC..Hα-helixtrans-62.7-41.9169.4-79.8-71.5-3.600112E163 A165 A170 R171E163-Q167 WeakPolarHBondContact O-CB 3.41Å; E163-Q167 VanDerWaalsContact O-CG 3.26Å; E163-Q167 WeakPolarHBondContact O-CG 3.16Å; E163-Q167 PolarHBondContact O-N 3.25Å; A165-Q167 VanDerWaalsContact C-N 3.33Å; A165-Q167 PolarHBondContact O-N 2.74Å; Q167-A170 PolarHBondContact O-N 3.06Å; Q167-R171 PolarHBondContact O-N 2.94Å
168T98.4Very high97.1Very high27 Ų2743.3 Ų43.317%0.16622%0.215CC..Hα-helixtrans-67.6-41.4175.9-57.50000111.5P150 F152 Q164 A165 A170 R171 N172P150-T168 HydrophobicContact CB-CG2 4.22Å; P150-T168 HydrophobicContact CG-CG2 4.37Å; F152-T168 HydrophobicContact CE2-CG2 4.02Å; F152-T168 HydrophobicContact CZ-CG2 4.04Å; F152-T168 VanDerWaalsContact CZ-OG1 3.29Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.38Å; Q164-T168 PolarHBondContact O-N 3.45Å; Q164-T168 PolarHBondContact O-OG1 3.31Å; Q164-T168 VanDerWaalsContact O-OG1 3.08Å; A165-T168 WeakPolarHBondContact O-CB 3.49Å; A165-T168 PolarHBondContact O-N 2.78Å; A165-T168 VanDerWaalsContact O-N 3.13Å; T168-A170 PolarHBondContact O-N 3.42Å; T168-R171 PolarHBondContact O-N 3.24Å; T168-N172 WeakPolarHBondContact O-CB 3.21Å; T168-N172 VanDerWaalsContact O-CG 3.27Å; T168-N172 PolarHBondContact O-N 2.84Å; T168-N172 PolarHBondContact O-OD1 2.92Å
169I98.6Very high96.6Very high0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-58.1-48.1173.8-68.2159.2000110.5V11 M59 C83 V85 V121 A165 F166 R171 N172 A173V11-I169 HydrophobicContact CB-CG2 4.4Å; V11-I169 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CG2-CG2 3.8Å; M59-I169 HydrophobicContact CE-CG2 3.94Å; C83-I169 HydrophobicContact CB-CG2 4.33Å; V85-I169 HydrophobicContact CB-CD1 4.47Å; V85-I169 HydrophobicContact CG1-CD1 4.13Å; V85-I169 HydrophobicContact CG2-CD1 3.46Å; V85-I169 VanDerWaalsContact CG2-CD1 3.46Å; V85-I169 HydrophobicContact CG2-CG1 3.91Å; V85-I169 HydrophobicContact CG2-CG2 4.08Å; V121-I169 HydrophobicContact CB-CD1 4.41Å; V121-I169 HydrophobicContact CB-CG1 3.78Å; V121-I169 HydrophobicContact CG1-CD1 4.29Å; V121-I169 HydrophobicContact CG1-CG1 3.95Å; V121-I169 HydrophobicContact CG2-CG1 3.64Å; A165-I169 WeakPolarHBondContact O-CD1 3.41Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.19Å; A165-I169 PolarHBondContact O-N 3.33Å; F166-I169 HydrophobicContact CD1-CD1 4.21Å; F166-I169 HydrophobicContact CG-CD1 4.27Å; F166-I169 PolarHBondContact O-N 3.43Å; I169-R171 PolarHBondContact O-N 3.29Å; I169-N172 PolarHBondContact O-N 3Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 2.89Å; I169-A173 PolarHBondContact O-N 2.97Å
170A98.3Very high96Very high0 Ų042.8 Ų42.80%021%0.208CC..Hα-helixtrans-62.5-42.3-179.800000112.2V50 V52 M59 F166 Q167 T168 A173 L174V50-A170 HydrophobicContact CG1-CB 4.11Å; V52-A170 HydrophobicContact CG2-CB 3.56Å; M59-A170 HydrophobicContact CE-CB 3.88Å; M59-A170 HydrophobicContact CG-CB 4.36Å; M59-A170 HydrophobicContact SD-CB 3.61Å; F166-A170 WeakPolarHBondContact O-CB 3.43Å; F166-A170 PolarHBondContact O-N 3.05Å; Q167-A170 PolarHBondContact O-N 3.06Å; T168-A170 PolarHBondContact O-N 3.42Å; A170-A173 PolarHBondContact O-N 3.35Å; A170-L174 WeakPolarHBondContact O-CB 3.43Å; A170-L174 PolarHBondContact O-N 3.42Å
171R98.1Very high95.4Very high102 Ų10242.2 Ų42.239%0.38520%0.203SC..Hα-helixtrans-61.9-46.6175.6-171.2-178.3-63.6107.52.1112.3V52 D53 Q167 T168 I169 L174 K175V52-R171 HydrophobicContact CG1-CB 3.99Å; V52-R171 HydrophobicContact CG1-CG 4.29Å; D53-R171 IonicContact OD1-NE 3.57Å; D53-R171 IonicContact OD1-NH2 2.7Å; D53-R171 IonicContact OD2-NE 2.61Å; D53-R171 PolarHBondContact OD2-NE 3.01Å; Q167-R171 PolarHBondContact O-N 2.94Å; T168-R171 PolarHBondContact O-N 3.24Å; I169-R171 PolarHBondContact O-N 3.29Å; R171-L174 PolarHBondContact O-N 3.39Å; R171-K175 PolarHBondContact O-N 3.37Å; R171-K175 VanDerWaalsContact O-N 3.08Å
172N97.8Very high94.7Very high41 Ų4144.1 Ų44.122%0.21921%0.213CC..Hα-helixtrans-67.1-40.9180-68.4-3.2000111.7P119 T168 I169 K175 Q176P119-N172 HydrophobicContact CB-CB 3.83Å; T168-N172 WeakPolarHBondContact O-CB 3.21Å; T168-N172 VanDerWaalsContact O-CG 3.27Å; T168-N172 PolarHBondContact O-N 2.84Å; T168-N172 PolarHBondContact O-OD1 2.92Å; I169-N172 PolarHBondContact O-N 3Å; N172-K175 PolarHBondContact O-N 3.43Å; N172-Q176 PolarHBondContact O-N 3.41Å
173A97.5Very high93.9Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-62.2-43.217500000112L9 V11 D82 C83 I169 A170 K175 Q176 E177L9-A173 HydrophobicContact CB-CB 4.14Å; L9-A173 HydrophobicContact CD1-CB 4.09Å; L9-A173 HydrophobicContact CD2-CB 4.4Å; L9-A173 HydrophobicContact CG-CB 4.44Å; V11-A173 HydrophobicContact CG2-CB 4.45Å; D82-A173 HydrophobicContact CB-CB 3.87Å; D82-A173 WeakPolarHBondContact O-CA 3.39Å; C83-A173 HydrophobicContact CB-CB 3.81Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 2.89Å; I169-A173 PolarHBondContact O-N 2.97Å; A170-A173 PolarHBondContact O-N 3.35Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 3.11Å; A173-Q176 PolarHBondContact O-N 3.07Å; A173-E177 WeakPolarHBondContact O-CB 3.44Å; A173-E177 PolarHBondContact O-N 3.24Å
174L96.3Very high93.2Very high18 Ų1850 Ų509%0.09424%0.242CC..Hα-helixtrans-61.9-41.8177-179.858.8000112.1V7 L9 V52 R55 V57 A170 R171 E177 T178V7-L174 HydrophobicContact CG1-CD1 3.93Å; L9-L174 HydrophobicContact CD1-CB 3.98Å; L9-L174 HydrophobicContact CD2-CB 4.41Å; L9-L174 HydrophobicContact CD2-CD1 4.36Å; V52-L174 HydrophobicContact CB-CD2 4.2Å; V52-L174 HydrophobicContact CG1-CD2 3.93Å; R55-L174 HydrophobicContact CB-CD2 4.47Å; V57-L174 HydrophobicContact CG1-CD1 4.11Å; V57-L174 HydrophobicContact CG1-CD2 4.32Å; A170-L174 WeakPolarHBondContact O-CB 3.43Å; A170-L174 PolarHBondContact O-N 3.42Å; R171-L174 PolarHBondContact O-N 3.39Å; L174-E177 PolarHBondContact O-N 2.94Å; L174-T178 WeakPolarHBondContact O-CB 3.45Å; L174-T178 PolarHBondContact O-N 3.06Å; L174-T178 PolarHBondContact O-OG1 2.72Å
175K94.9Very high92.5Very high135 Ų13551.2 Ų51.259%0.58725%0.248SC*.Hα-helixtrans-60.5-47.6175.6-177.1-178169.5-171.80111.2R171 N172 A173 T178 E179R171-K175 PolarHBondContact O-N 3.37Å; R171-K175 VanDerWaalsContact O-N 3.08Å; N172-K175 PolarHBondContact O-N 3.43Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 3.11Å; K175-T178 PolarHBondContact O-N 3.42Å; K175-E179 WeakPolarHBondContact CE-OE1 3.49Å; K175-E179 IonicContact NZ-OE1 3.58Å; K175-E179 WeakPolarHBondContact O-CG 3.48Å; K175-E179 PolarHBondContact O-N 3.47Å
176Q93.3Very high91.9Very high23 Ų2358.2 Ų58.211%0.10728%0.278CS..Hα-helixtrans-60.9-46.1177.6176.764.137.600112.3D82 P119 N172 A173 T178 E179 V180D82-Q176 WeakPolarHBondContact O-CB 3.21Å; D82-Q176 WeakPolarHBondContact O-CG 3.31Å; P119-Q176 HydrophobicContact CG-CB 3.83Å; P119-Q176 HydrophobicContact CG-CG 4.13Å; N172-Q176 PolarHBondContact O-N 3.41Å; A173-Q176 PolarHBondContact O-N 3.07Å; Q176-T178 VanDerWaalsContact C-N 3.33Å; Q176-T178 PolarHBondContact O-N 3.32Å; Q176-E179 PolarHBondContact O-N 3.01Å; Q176-V180 VanDerWaalsContact O-CG2 3.31Å; Q176-V180 WeakPolarHBondContact O-CG2 3.5Å; Q176-V180 PolarHBondContact O-N 3.24Å
177E91.8Very high91Very high19 Ų1962.2 Ų62.29%0.08930%0.304CS..Hα-helixtrans-60.5-44.2178.8-174.9-93.1-175.400111V7 L9 A173 L174 E179 V180 E181V7-E177 HydrophobicContact CG1-CG 4.34Å; L9-E177 HydrophobicContact CD2-CB 3.79Å; L9-E177 HydrophobicContact CD2-CG 4.16Å; A173-E177 WeakPolarHBondContact O-CB 3.44Å; A173-E177 PolarHBondContact O-N 3.24Å; L174-E177 PolarHBondContact O-N 2.94Å; E177-E179 PolarHBondContact O-N 3.12Å; E177-V180 PolarHBondContact O-N 3.22Å; E177-E181 WeakPolarHBondContact O-CG 3.48Å; E177-E181 PolarHBondContact O-N 3.23Å; E177-E181 VanDerWaalsContact OE1-OE1 3.12Å
178T89.4Confident90Very high46 Ų4666.7 Ų66.728%0.28233%0.325SS..Hα-helixtrans-64.1-39.9177.7-61.90000112.1L174 K175 Q176 E181 L182L174-T178 WeakPolarHBondContact O-CB 3.45Å; L174-T178 PolarHBondContact O-N 3.06Å; L174-T178 PolarHBondContact O-OG1 2.72Å; K175-T178 PolarHBondContact O-N 3.42Å; Q176-T178 VanDerWaalsContact C-N 3.33Å; Q176-T178 PolarHBondContact O-N 3.32Å; T178-E181 PolarHBondContact O-N 3.3Å; T178-L182 HydrophobicContact CG2-CD1 4.13Å; T178-L182 WeakPolarHBondContact O-CB 3.47Å; T178-L182 VanDerWaalsContact O-CG 3.26Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.4Å
179E87.8Confident89.1Confident92 Ų9270.8 Ų70.843%0.4335%0.352SS..Hα-helixtrans-65.2-38.8175.2-73.9174.6-174.500112.2K175 Q176 E177 Y183K175-E179 WeakPolarHBondContact CE-OE1 3.49Å; K175-E179 IonicContact NZ-OE1 3.58Å; K175-E179 WeakPolarHBondContact O-CG 3.48Å; K175-E179 PolarHBondContact O-N 3.47Å; Q176-E179 PolarHBondContact O-N 3.01Å; E177-E179 PolarHBondContact O-N 3.12Å; E179-Y183 WeakPolarHBondContact O-CB 3.43Å; E179-Y183 PolarHBondContact O-N 3.48Å; E179-Y183 VanDerWaalsContact O-N 3.09Å
180V85.7Confident88Confident58 Ų5877.7 Ų77.735%0.35239%0.388SS..Hα-helixtrans-67.6-43.3175.9172.30000111.3Q176 E177 Y183 N184Q176-V180 VanDerWaalsContact O-CG2 3.31Å; Q176-V180 WeakPolarHBondContact O-CG2 3.5Å; Q176-V180 PolarHBondContact O-N 3.24Å; E177-V180 PolarHBondContact O-N 3.22Å; V180-Y183 PolarHBondContact O-N 3.4Å; V180-N184 VanDerWaalsContact O-CG 3.24Å; V180-N184 PolarHBondContact O-N 2.73Å; V180-N184 PolarHBondContact O-ND2 3.17Å; V180-N184 VanDerWaalsContact O-ND2 3.11Å
181E86.1Confident86.6Confident46 Ų4687 Ų8722%0.21543%0.428CS..Hα-helixtrans-59.7-50.9174.9-73-162.5143.300111.4K5 E177 T178 Y183 N184 E185K5-E181 IonicContact NZ-OE1 3.39Å; K5-E181 PolarHBondContact NZ-OE1 3.22Å; E177-E181 WeakPolarHBondContact O-CG 3.48Å; E177-E181 PolarHBondContact O-N 3.23Å; E177-E181 VanDerWaalsContact OE1-OE1 3.12Å; T178-E181 PolarHBondContact O-N 3.3Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.09Å; E181-N184 PolarHBondContact O-N 2.91Å; E181-N184 VanDerWaalsContact O-N 3.13Å; E181-E185 PolarHBondContact O-N 3.1Å; E181-E185 VanDerWaalsContact O-N 3.08Å
182L84.6Confident85Confident97 Ų9789.4 Ų89.451%0.50845%0.448SS..Hα-helixtrans-57.3-40.7179.4-76.4171.3000112.1T178 E185 F186T178-L182 HydrophobicContact CG2-CD1 4.13Å; T178-L182 WeakPolarHBondContact O-CB 3.47Å; T178-L182 VanDerWaalsContact O-CG 3.26Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.4Å; L182-E185 PolarHBondContact O-N 3.26Å; L182-F186 WeakPolarHBondContact O-CA 3.47Å; L182-F186 WeakPolarHBondContact O-CB 3.3Å; L182-F186 PolarHBondContact O-N 2.99Å
183Y81.9Confident83.2Confident69 Ų6995 Ų9527%0.27148%0.478SS..Hα-helixtrans-69.3-39.1177.7177.9-100.8000113.4R113 E179 V180 E181 E185 F186 P187R113-Y183 VanDerWaalsContact NH1-CE2 3.31Å; R113-Y183 PolarHBondContact NH2-OH 2.88Å; E179-Y183 WeakPolarHBondContact O-CB 3.43Å; E179-Y183 PolarHBondContact O-N 3.48Å; E179-Y183 VanDerWaalsContact O-N 3.09Å; V180-Y183 PolarHBondContact O-N 3.4Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.09Å; Y183-E185 PolarHBondContact O-N 2.81Å; Y183-F186 CarbonylContact O-C 3.59Å; Y183-F186 VanDerWaalsContact O-C 3.27Å; Y183-F186 PolarHBondContact O-N 2.77Å; Y183-P187 HydrophobicContact CD2-CB 4.27Å; Y183-P187 VanDerWaalsContact CE2-CA 3.5Å; Y183-P187 HydrophobicContact CE2-CB 3.74Å; Y183-P187 WeakPolarHBondContact O-CA 3.47Å; Y183-P187 VanDerWaalsContact O-N 3.1Å
184N83.4Confident81.3Confident121 Ų121106.2 Ų106.265%0.64752%0.52SS*.Hα-helixtrans-64.8-32.2178.1-70.5-31.5000111.4V180 E181V180-N184 VanDerWaalsContact O-CG 3.24Å; V180-N184 PolarHBondContact O-N 2.73Å; V180-N184 PolarHBondContact O-ND2 3.17Å; V180-N184 VanDerWaalsContact O-ND2 3.11Å; E181-N184 PolarHBondContact O-N 2.91Å; E181-N184 VanDerWaalsContact O-N 3.13Å
185E83.6Confident79.2Confident127 Ų127112.1 Ų112.159%0.59355%0.552SS**Hα-helixtrans-81.2-38.2174.4-65.9-176.5-177.900112.6E181 L182 Y183E181-E185 PolarHBondContact O-N 3.1Å; E181-E185 VanDerWaalsContact O-N 3.08Å; L182-E185 PolarHBondContact O-N 3.26Å; Y183-E185 PolarHBondContact O-N 2.81Å
186F86.1Confident77.2Confident147 Ų147115 Ų11565%0.64557%0.567SS**SBendtrans-136.782-174.2-55.7-78.1000110.9L182 Y183 E188L182-F186 WeakPolarHBondContact O-CA 3.47Å; L182-F186 WeakPolarHBondContact O-CB 3.3Å; L182-F186 PolarHBondContact O-N 2.99Å; Y183-F186 CarbonylContact O-C 3.59Å; Y183-F186 VanDerWaalsContact O-C 3.27Å; Y183-F186 PolarHBondContact O-N 2.77Å; F186-E188 PolarHBondContact O-N 3.34Å
187P79.5Confident75Confident85 Ų85124.7 Ų124.755%0.55260%0.603SS**PPolyproline II helixtrans-66.3132.3-179.125.5-32.8000110.6Y183Y183-P187 HydrophobicContact CD2-CB 4.27Å; Y183-P187 VanDerWaalsContact CE2-CA 3.5Å; Y183-P187 HydrophobicContact CE2-CB 3.74Å; Y183-P187 WeakPolarHBondContact O-CA 3.47Å; Y183-P187 VanDerWaalsContact O-N 3.1Å
188E77.6Confident72.9Confident147 Ų147128.1 Ų128.169%0.68763%0.634SS**PPolyproline II helixtrans-58.3140.8175.1-69.9-166.3169.600111.1F186 I190F186-E188 PolarHBondContact O-N 3.34Å; E188-I190 PolarHBondContact O-N 3.04Å
189P78.7Confident70.8Confident113 Ų113135.6 Ų135.673%0.73466%0.663SS**PPolyproline II helixtrans-62.9125.9179.323.6-31.2000110.7K191P189-K191 PolarHBondContact O-N 3.09Å
190I75.9Confident68.6Low146 Ų146136.9 Ų136.975%0.74968%0.679SS**  trans-64.6109.8174-58.7173.5000108.1E188 L192E188-I190 PolarHBondContact O-N 3.04Å; I190-L192 HydrophobicContact CG2-CD2 4.28Å; I190-L192 HydrophobicContact CG2-CG 4.36Å; I190-L192 PolarHBondContact O-N 2.88Å
191K68.8Low66.9Low196 Ų196139.9 Ų139.985%0.85270%0.703SS**  trans-73.596.9170.6-67.4-175.7-176.8175.80108.5P189 D193P189-K191 PolarHBondContact O-N 3.09Å; K191-D193 PolarHBondContact O-N 3.27Å; K191-D193 VanDerWaalsContact O-N 3.12Å
192L64.3Low64.9Low152 Ų152142.1 Ų142.180%0.79673%0.729SS**  trans-73.396.9168.1-68.8169.4000108.2I190 R194I190-L192 HydrophobicContact CG2-CD2 4.28Å; I190-L192 HydrophobicContact CG2-CG 4.36Å; I190-L192 PolarHBondContact O-N 2.88Å; L192-R194 PolarHBondContact O-N 3.42Å
193D60.3Low63.3Low157 Ų157147 Ų14784%0.8475%0.749SS**  trans-65.7107.2169.7-110.5-24000108.8K191 N195K191-D193 PolarHBondContact O-N 3.27Å; K191-D193 VanDerWaalsContact O-N 3.12Å; D193-N195 PolarHBondContact O-N 3.34Å
194R56.5Low61.6Low237 Ų237148.2 Ų148.289%0.89477%0.774SS**  trans-80.938.8-171.8-130.2-178-173.5-168.82.1112.5L192L192-R194 PolarHBondContact O-N 3.42Å
195N52.7Low59.7Low141 Ų141149 Ų14975%0.75479%0.787SS**  trans-120.728.9-168.3-119.513000115.9D193D193-N195 PolarHBondContact O-N 3.34Å
196E53.2Low58.1Low197 Ų197148.3 Ų148.392%0.92180%0.796SS**  trans-96.674.1153.8-71.1-169.916100109.3A198E196-A198 PolarHBondContact O-N 3.06Å
197R47.4Very low56.6Low226 Ų226150.5 Ų150.585%0.85383%0.828SS**  trans-71.4116.1160.2-79.8-175.2-179.7-172.50.5107.6K199R197-K199 PolarHBondContact O-N 3.11Å
198A46.5Very low55.4Low90 Ų90153.8 Ų153.874%0.74484%0.841SS**  trans-32.8126.3168.800000112.6E196 P200E196-A198 PolarHBondContact O-N 3.06Å; A198-P200 WeakPolarHBondContact O-CD 3.48Å
199K45Very low54.2Low203 Ų203154.1 Ų154.188%0.88385%0.849SS**PPolyproline II helixtrans-61.1122159.3-74-179.1176.8178.30107.4R197 S201R197-K199 PolarHBondContact O-N 3.11Å; K199-S201 PolarHBondContact O-N 3.26Å
200P41.9Very low52.9Low120 Ų120156.4 Ų156.478%0.77986%0.856SS**PPolyproline II helixtrans-73.3121.3164.57.37.8000107.6A198 A202A198-P200 WeakPolarHBondContact O-CD 3.48Å; P200-A202 PolarHBondContact O-N 3.1Å
201S51.2Low51.5Low120 Ų120157 Ų15784%0.83986%0.862SS**PPolyproline II helixtrans-60.6118.3160.550.10000108.7K199K199-S201 PolarHBondContact O-N 3.26Å
202A44.1Very low50.4Low94 Ų94154.6 Ų154.678%0.77786%0.863SS**  trans-123.184.6164.700000108.1P200 A204P200-A202 PolarHBondContact O-N 3.1Å; A202-A204 PolarHBondContact O-N 3.48Å
203E51.1Low49.5Very low199 Ų199154.7 Ų154.793%0.9387%0.867SS**  trans-66.5117.2148.1-75.8-179.7151.900107
204A45.5Very low48.8Very low94 Ų94154.6 Ų154.678%0.77787%0.869SS**  trans-128.7100.4164.600000107.4A202A202-A204 PolarHBondContact O-N 3.48Å
205C43.8Very low48.2Very low137 Ų137148.2 Ų148.293%0.92687%0.867SS**  trans-58.8132.7167.4-1610000109.2
206S50.8Low47.8Very low113 Ų113148.8 Ų148.879%0.7988%0.877SS**  trans-119.5129.7163.5179.40000108.9
207C52.8Low47.3Very low193 Ų193144.5 Ų144.5100%1.30487%0.873SS**  trans-50.90166.2-54.30000113.1

Retrieved 207 of 207 residues in 792.4 ms (Link to these results)

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