A0A3Q0KES8_SCHMA Loading...

Putative rab5

AlphaFold DB , UniProt , Accession A0A3Q0KES8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M55.1Low89.4Confident245 Ų24566.9 Ų66.9100%1.20734%0.339SS*.  0125.90-75.5172.7176.400106.9
2A72.6Confident90Very high49 Ų4961.3 Ų61.341%0.40531%0.311SS..  trans-67134.3175.100000109.3R4 P54A2-R4 PolarHBondContact O-N 3.49Å; A2-P54 WeakPolarHBondContact CA-O 3.15Å; A2-P54 HydrophobicContact CB-CB 4.24Å
3N85.3Confident90.6Very high82 Ų8256.7 Ų56.744%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-60.9134.7177-173.77.3000109.2P54 A55 T56N3-P54 PolarHBondContact N-O 3.16Å; N3-A55 HydrophobicContact CB-CB 4.25Å; N3-A55 CarbonylContact O-C 3.46Å; N3-A55 VanDerWaalsContact O-CA 3.3Å; N3-A55 WeakPolarHBondContact O-CA 3.42Å; N3-T56 PolarHBondContact O-N 3.22Å
4R93.5Very high91Very high206 Ų20655.9 Ų55.978%0.77728%0.283SS*.EExtended strand (participates in β ladder)trans-124.9123.8179.2-67.3-171.9174.1-179.2-0.4109.4A2 T56A2-R4 PolarHBondContact O-N 3.49Å; R4-T56 WeakPolarHBondContact CA-O 3.41Å
5S95.4Very high91.3Very high31 Ų3155.8 Ų55.822%0.21729%0.289CS..EExtended strand (participates in β ladder)trans-136157.1177.162.50000111.5H7 T56 K58S5-H7 VanDerWaalsContact CB-NE2 3.3Å; S5-H7 WeakPolarHBondContact CB-NE2 3.26Å; S5-H7 PolarHBondContact OG-CD2 2.88Å; S5-H7 PolarHBondContact OG-NE2 3.18Å; S5-T56 PolarHBondContact N-O 3.47Å; S5-T56 VanDerWaalsContact N-O 3.08Å; S5-K58 PolarHBondContact O-N 2.66Å
6S96.5Very high91.6Very high54 Ų5457.2 Ų57.238%0.37831%0.311SS..EExtended strand (participates in β ladder)trans-120.6131173.1-163.50000108.5K58 E60S6-K58 CarbonylContact C-O 3.53Å; S6-K58 VanDerWaalsContact CA-O 3.28Å; S6-K58 WeakPolarHBondContact CA-O 3.35Å; S6-E60 PolarHBondContact OG-OE1 3.17Å
7H96.3Very high91.9Very high28 Ų2853.9 Ų53.913%0.1329%0.294CS..EExtended strand (participates in β ladder)trans-132.8130.9-177.5-62.3-78.6000110.5S5 K58 F59 E60 Q82 L169S5-H7 VanDerWaalsContact CB-NE2 3.3Å; S5-H7 WeakPolarHBondContact CB-NE2 3.26Å; S5-H7 PolarHBondContact OG-CD2 2.88Å; S5-H7 PolarHBondContact OG-NE2 3.18Å; H7-K58 PolarHBondContact N-O 3.28Å; H7-F59 HydrophobicContact CB-CD1 4.38Å; H7-F59 HydrophobicContact CB-CE1 4.47Å; H7-F59 WeakPolarHBondContact O-CA 3.12Å; H7-E60 PolarHBondContact O-N 2.97Å; H7-Q82 HydrophobicContact CB-CB 4.49Å; H7-L169 HydrophobicContact CB-CD1 3.91Å
8K96.1Very high92.3Very high41 Ų4151.6 Ų51.618%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-73.4126.1171.6-176.3-177.6178.6-172.20109W62 Y77 R79 A81 Q82 A83K8-W62 VanDerWaalsContact CE-CD1 3.5Å; K8-Y77 WeakPolarHBondContact CE-O 3.47Å; K8-Y77 PolarHBondContact NZ-O 2.95Å; K8-R79 PolarHBondContact NZ-O 2.94Å; K8-A81 HydrophobicContact CD-CB 4.35Å; K8-A81 HydrophobicContact CG-CB 4.21Å; K8-Q82 PolarHBondContact O-N 3.31Å; K8-Q82 PolarHBondContact O-OE1 2.87Å; K8-A83 PolarHBondContact O-N 2.77Å
9L97.4Very high92.6Very high0 Ų049.4 Ų49.40%027%0.271CS..EExtended strand (participates in β ladder)trans-126133.2179.7-177.1152.6000109.2I11 F59 E60 I61 W62 A83 V85 F162 I165L9-I11 HydrophobicContact CD2-CD1 3.32Å; L9-I11 HydrophobicContact CD2-CG1 4.1Å; L9-F59 HydrophobicContact CB-CD1 3.92Å; L9-F59 HydrophobicContact CD1-CD1 3.74Å; L9-F59 HydrophobicContact CD1-CE1 3.75Å; L9-F59 HydrophobicContact CD1-CG 4.25Å; L9-F59 HydrophobicContact CD1-CZ 4.26Å; L9-F59 HydrophobicContact CG-CD1 4.49Å; L9-E60 PolarHBondContact N-O 3.36Å; L9-I61 HydrophobicContact CD2-CG1 4.45Å; L9-I61 HydrophobicContact CD2-CG2 4.17Å; L9-I61 CarbonylContact O-C 3.41Å; L9-I61 WeakPolarHBondContact O-CA 3.34Å; L9-W62 PolarHBondContact O-N 3.14Å; L9-A83 WeakPolarHBondContact CA-O 3.49Å; L9-A83 HydrophobicContact CB-CB 4.41Å; L9-A83 HydrophobicContact CD1-CB 4.01Å; L9-A83 HydrophobicContact CG-CB 4.12Å; L9-V85 HydrophobicContact CD1-CG2 4.37Å; L9-V85 HydrophobicContact CD2-CG2 4.17Å; L9-F162 HydrophobicContact CD1-CD1 4.02Å; L9-F162 HydrophobicContact CD1-CE1 3.96Å; L9-F162 HydrophobicContact CD2-CE1 3.92Å; L9-I165 HydrophobicContact CD1-CD1 4.25Å; L9-I165 HydrophobicContact CD1-CG2 4.1Å
10V97Very high92.8Very high0 Ų048 Ų480%027%0.265CS..EExtended strand (participates in β ladder)trans-112.5141.2177.267.60000110.4L12 W62 T64 A81 A83 A84 V85V10-L12 HydrophobicContact CG1-CD1 4.07Å; V10-L12 HydrophobicContact CG1-CG 4.35Å; V10-L12 HydrophobicContact CG2-CD2 4.24Å; V10-L12 HydrophobicContact CG2-CG 4.09Å; V10-W62 HydrophobicContact CG2-CB 4.31Å; V10-T64 HydrophobicContact CG2-CG2 3.67Å; V10-A81 HydrophobicContact CB-CB 4.42Å; V10-A81 HydrophobicContact CG1-CB 4.15Å; V10-A83 PolarHBondContact N-O 2.91Å; V10-A83 VanDerWaalsContact N-O 3.08Å; V10-A84 HydrophobicContact CG1-CB 3.68Å; V10-A84 CarbonylContact O-C 3.45Å; V10-A84 WeakPolarHBondContact O-CA 2.95Å; V10-V85 PolarHBondContact O-N 3.12Å
11I97.9Very high93.1Very high0 Ų046.3 Ų46.30%026%0.257CS..EExtended strand (participates in β ladder)trans-107.7122.4172.6-46.2-67.9000108.5L9 K19 V23 I61 W62 T64 V85 V87 F162L9-I11 HydrophobicContact CD2-CD1 3.32Å; L9-I11 HydrophobicContact CD2-CG1 4.1Å; I11-K19 HydrophobicContact CG2-CB 3.63Å; I11-K19 HydrophobicContact CG2-CD 3.94Å; I11-K19 HydrophobicContact CG2-CG 3.71Å; I11-V23 HydrophobicContact CD1-CG2 4.23Å; I11-V23 HydrophobicContact CG1-CG2 3.66Å; I11-I61 HydrophobicContact CD1-CG2 4.36Å; I11-I61 HydrophobicContact CG1-CG2 3.92Å; I11-W62 PolarHBondContact N-O 3.07Å; I11-T64 WeakPolarHBondContact O-CG2 3.1Å; I11-T64 PolarHBondContact O-N 3.35Å; I11-T64 PolarHBondContact O-OG1 3.48Å; I11-V85 CarbonylContact C-O 3.45Å; I11-V85 WeakPolarHBondContact CA-O 3.34Å; I11-V85 HydrophobicContact CD1-CB 3.67Å; I11-V85 HydrophobicContact CD1-CG2 3.77Å; I11-V87 HydrophobicContact CG2-CG2 3.77Å; I11-F162 HydrophobicContact CD1-CE1 4.23Å; I11-F162 HydrophobicContact CD1-CZ 3.95Å
12L97Very high95.2Very high0 Ų034.7 Ų34.70%020%0.199CC..EExtended strand (participates in β ladder)trans-124.9164.5-177.2-66.1164.3000110.5V10 K19 T64 A74 Y78 V85 V87 W102 L106V10-L12 HydrophobicContact CG1-CD1 4.07Å; V10-L12 HydrophobicContact CG1-CG 4.35Å; V10-L12 HydrophobicContact CG2-CD2 4.24Å; V10-L12 HydrophobicContact CG2-CG 4.09Å; L12-K19 VanDerWaalsContact C-CD 3.42Å; L12-K19 WeakPolarHBondContact O-CD 3.44Å; L12-T64 HydrophobicContact CD2-CG2 4.06Å; L12-A74 HydrophobicContact CD2-CB 4.14Å; L12-Y78 HydrophobicContact CD1-CD1 4.27Å; L12-V85 PolarHBondContact N-O 3.08Å; L12-V87 PolarHBondContact O-N 2.76Å; L12-W102 HydrophobicContact CB-CD2 4.3Å; L12-W102 HydrophobicContact CB-CG 4.43Å; L12-W102 HydrophobicContact CD1-CE3 4.24Å; L12-W102 HydrophobicContact CD2-CE3 4.24Å; L12-W102 HydrophobicContact CD2-CH2 4.16Å; L12-W102 HydrophobicContact CD2-CZ3 4.03Å; L12-L106 HydrophobicContact CD1-CD1 3.89Å; L12-L106 HydrophobicContact CD1-CD2 3.83Å; L12-L106 HydrophobicContact CD1-CG 4.09Å
13G97.3Very high96.4Very high1 Ų132.4 Ų32.41%0.0118%0.181CC..  trans136.9165.2-176.200000112.8K19 G66 V87G13-K19 PolarHBondContact O-NZ 2.85Å; G13-G66 WeakPolarHBondContact O-CA 3.22Å; G13-V87 WeakPolarHBondContact CA-O 3.3Å
14E96.3Very high97Very high46 Ų4629.8 Ų29.822%0.21517%0.167CC..  trans-61.2166.5-177.8-167.1167-131.500112.5V17 K19 N94 S95 R98E14-V17 HydrophobicContact CB-CG1 3.95Å; E14-V17 VanDerWaalsContact O-CG2 3.28Å; E14-V17 WeakPolarHBondContact O-CG2 3.38Å; E14-K19 PolarHBondContact O-NZ 3.34Å; E14-N94 PolarHBondContact OE1-ND2 3.35Å; E14-N94 PolarHBondContact OE2-ND2 3.43Å; E14-S95 VanDerWaalsContact OE2-CA 3.3Å; E14-S95 WeakPolarHBondContact OE2-CA 3.28Å; E14-R98 HydrophobicContact CB-CB 4.29Å; E14-R98 IonicContact OE1-NE 2.76Å
15S95.4Very high97.2Very high54 Ų5422.1 Ų22.138%0.37814%0.138SC..THydrogen-bonded Turntrans-58.9150.4171.7-163.50000111.2V17 G66S15-V17 PolarHBondContact O-N 2.89Å; S15-G66 PolarHBondContact N-O 3.08Å
16A95.9Very high97.3Very high78 Ų7821.1 Ų21.165%0.64513%0.13SC*.THydrogen-bonded Turntrans60.36175.100000117.8G18 K122A16-G18 PolarHBondContact O-N 2.86Å; A16-K122 WeakPolarHBondContact O-CE 3.39Å; A16-K122 PolarHBondContact O-NZ 2.79Å
17V98Very high97.3Very high2 Ų220.4 Ų20.41%0.01212%0.123CC..SBendtrans-71.2-16.2173.8-55.70000113.5E14 S15 K19 V87 D89 N121E14-V17 HydrophobicContact CB-CG1 3.95Å; E14-V17 VanDerWaalsContact O-CG2 3.28Å; E14-V17 WeakPolarHBondContact O-CG2 3.38Å; S15-V17 PolarHBondContact O-N 2.89Å; V17-K19 HydrophobicContact CG2-CG 3.78Å; V17-V87 HydrophobicContact CB-CG1 4.27Å; V17-V87 HydrophobicContact CG2-CB 3.89Å; V17-V87 HydrophobicContact CG2-CG1 3.8Å; V17-D89 HydrophobicContact CB-CB 4.29Å; V17-D89 HydrophobicContact CG1-CB 4.23Å; V17-N121 PolarHBondContact O-ND2 2.91Å
18G98.1Very high97.3Very high12 Ų1224.5 Ų24.512%0.12414%0.14CC..SBendtrans101.521.3175.200000116.2A16 S20 S21 I22A16-G18 PolarHBondContact O-N 2.86Å; G18-S20 PolarHBondContact O-N 2.92Å; G18-S21 WeakPolarHBondContact O-CB 3.27Å; G18-S21 PolarHBondContact O-N 3.25Å; G18-S21 VanDerWaalsContact O-N 3.1Å; G18-I22 WeakPolarHBondContact O-CG1 3.3Å; G18-I22 PolarHBondContact O-N 2.87Å
19K98.2Very high97.2Very high10 Ų1027.2 Ų27.24%0.04316%0.163CC..Hα-helixtrans-46.8-58.3174.1-61.9-172.8-61.8-720112.8I11 L12 G13 E14 V17 S21 I22 V23 D63 T64 V87I11-K19 HydrophobicContact CG2-CB 3.63Å; I11-K19 HydrophobicContact CG2-CD 3.94Å; I11-K19 HydrophobicContact CG2-CG 3.71Å; L12-K19 VanDerWaalsContact C-CD 3.42Å; L12-K19 WeakPolarHBondContact O-CD 3.44Å; G13-K19 PolarHBondContact O-NZ 2.85Å; E14-K19 PolarHBondContact O-NZ 3.34Å; V17-K19 HydrophobicContact CG2-CG 3.78Å; K19-S21 VanDerWaalsContact C-N 3.27Å; K19-S21 PolarHBondContact O-N 3.13Å; K19-I22 WeakPolarHBondContact O-CB 2.97Å; K19-I22 PolarHBondContact O-N 2.73Å; K19-V23 WeakPolarHBondContact O-CG2 3.47Å; K19-V23 PolarHBondContact O-N 2.93Å; K19-D63 WeakPolarHBondContact CB-OD1 3.17Å; K19-T64 WeakPolarHBondContact CE-O 3.33Å; K19-V87 HydrophobicContact CG-CB 4.06Å; K19-V87 HydrophobicContact CG-CG2 4.07Å
20S97.8Very high97.1Very high20 Ų2032.4 Ų32.414%0.1419%0.187CC..Hα-helixtrans-62.7-34.9179.5-47.60000112.3G18 V23 L24 T38 D63G18-S20 PolarHBondContact O-N 2.92Å; S20-V23 PolarHBondContact O-N 3.32Å; S20-L24 WeakPolarHBondContact O-CB 3.06Å; S20-L24 PolarHBondContact O-N 2.78Å; S20-T38 PolarHBondContact OG-OG1 3.27Å; S20-D63 WeakPolarHBondContact CA-OD2 3.04Å; S20-D63 WeakPolarHBondContact CB-OD2 3.33Å; S20-D63 PolarHBondContact OG-OD1 2.96Å; S20-D63 PolarHBondContact OG-OD2 3.41Å
21S98.3Very high97.1Very high14 Ų1435.5 Ų35.510%0.09820%0.201CC..Hα-helixtrans-66.6-41176.5-50.70000111.9G18 K19 R25G18-S21 WeakPolarHBondContact O-CB 3.27Å; G18-S21 PolarHBondContact O-N 3.25Å; G18-S21 VanDerWaalsContact O-N 3.1Å; K19-S21 VanDerWaalsContact C-N 3.27Å; K19-S21 PolarHBondContact O-N 3.13Å; S21-R25 VanDerWaalsContact O-CB 3.24Å; S21-R25 WeakPolarHBondContact O-CB 3.32Å; S21-R25 PolarHBondContact O-N 3Å
22I98.7Very high96.9Very high0 Ų037.7 Ų37.70%022%0.217CC..Hα-helixtrans-61.5-48173.7-70.5172.7000109.9G18 K19 L24 R25 L26 V87 N121 A152 V158 F162G18-I22 WeakPolarHBondContact O-CG1 3.3Å; G18-I22 PolarHBondContact O-N 2.87Å; K19-I22 WeakPolarHBondContact O-CB 2.97Å; K19-I22 PolarHBondContact O-N 2.73Å; I22-L24 PolarHBondContact O-N 2.94Å; I22-R25 PolarHBondContact O-N 2.94Å; I22-L26 WeakPolarHBondContact O-CB 3.28Å; I22-L26 PolarHBondContact O-N 2.94Å; I22-V87 HydrophobicContact CD1-CG1 3.8Å; I22-V87 HydrophobicContact CD1-CG2 4.1Å; I22-N121 HydrophobicContact CD1-CB 4.04Å; I22-A152 HydrophobicContact CG1-CB 4.07Å; I22-V158 HydrophobicContact CG2-CG1 4.19Å; I22-F162 HydrophobicContact CG2-CE2 3.77Å; I22-F162 HydrophobicContact CG2-CZ 4.2Å
23V98Very high96.6Very high2 Ų243.1 Ų43.11%0.01224%0.242CC..Hα-helixtrans-64-42.9-179.7177.50000111.4I11 K19 S20 L26 V27 L44 I61 D63I11-V23 HydrophobicContact CD1-CG2 4.23Å; I11-V23 HydrophobicContact CG1-CG2 3.66Å; K19-V23 WeakPolarHBondContact O-CG2 3.47Å; K19-V23 PolarHBondContact O-N 2.93Å; S20-V23 PolarHBondContact O-N 3.32Å; V23-L26 PolarHBondContact O-N 3.49Å; V23-V27 HydrophobicContact CG1-CG2 4.16Å; V23-V27 WeakPolarHBondContact O-CB 3.14Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.16Å; V23-L44 HydrophobicContact CG1-CB 4.33Å; V23-L44 HydrophobicContact CG1-CD1 3.84Å; V23-L44 HydrophobicContact CG1-CD2 4.09Å; V23-L44 HydrophobicContact CG1-CG 4.3Å; V23-I61 HydrophobicContact CG1-CG2 4.08Å; V23-I61 HydrophobicContact CG2-CG2 3.97Å; V23-D63 HydrophobicContact CG2-CB 4.27Å
24L97.1Very high96.2Very high27 Ų2752.9 Ų52.914%0.14128%0.28CS..Hα-helixtrans-64-40.8176.5-17468.4000111.7S20 I22 K28 C29 Q30S20-L24 WeakPolarHBondContact O-CB 3.06Å; S20-L24 PolarHBondContact O-N 2.78Å; I22-L24 PolarHBondContact O-N 2.94Å; L24-K28 HydrophobicContact CD1-CB 4.02Å; L24-K28 HydrophobicContact CD1-CD 3.59Å; L24-K28 HydrophobicContact CD1-CG 3.94Å; L24-K28 WeakPolarHBondContact O-CA 3.4Å; L24-K28 WeakPolarHBondContact O-CB 3.46Å; L24-K28 PolarHBondContact O-N 3.17Å; L24-C29 PolarHBondContact O-N 2.76Å; L24-Q30 CarbonylContact C-O 3.5Å; L24-Q30 HydrophobicContact CD1-CB 4.36Å; L24-Q30 HydrophobicContact CD2-CB 4.11Å; L24-Q30 HydrophobicContact CG-CB 3.91Å
25R98.1Very high95.8Very high45 Ų4555 Ų5517%0.1729%0.29CS..Hα-helixtrans-62-46175.3174.955.967.4-168.96111.1S21 I22 C29 Q30 A152 K153 V158S21-R25 VanDerWaalsContact O-CB 3.24Å; S21-R25 WeakPolarHBondContact O-CB 3.32Å; S21-R25 PolarHBondContact O-N 3Å; I22-R25 PolarHBondContact O-N 2.94Å; R25-C29 PolarHBondContact NH1-O 2.73Å; R25-C29 WeakPolarHBondContact O-CA 3.11Å; R25-C29 PolarHBondContact O-N 3.1Å; R25-Q30 VanDerWaalsContact CA-O 3.28Å; R25-Q30 WeakPolarHBondContact CA-O 3.34Å; R25-Q30 PolarHBondContact N-O 2.71Å; R25-A152 HydrophobicContact CB-CB 4.48Å; R25-A152 PolarHBondContact NE-O 2.76Å; R25-A152 PolarHBondContact NH2-O 3.07Å; R25-K153 PolarHBondContact NH2-O 3.47Å; R25-V158 HydrophobicContact CB-CG1 4.33Å; R25-V158 HydrophobicContact CG-CB 4.14Å; R25-V158 HydrophobicContact CG-CG1 4Å; R25-V158 HydrophobicContact CG-CG2 3.97Å
26L98.1Very high95.6Very high10 Ų1060.6 Ų60.65%0.05231%0.31CS..Hα-helixtrans-63.8-49.5178.7-179.972.9000112.3I22 V23 Q46 I48 I61 V158 F162I22-L26 WeakPolarHBondContact O-CB 3.28Å; I22-L26 PolarHBondContact O-N 2.94Å; V23-L26 PolarHBondContact O-N 3.49Å; L26-Q46 HydrophobicContact CD1-CG 4.41Å; L26-Q46 HydrophobicContact CD2-CB 4.14Å; L26-Q46 HydrophobicContact CD2-CG 4.07Å; L26-Q46 HydrophobicContact CG-CB 4.47Å; L26-Q46 HydrophobicContact CG-CG 3.96Å; L26-I48 HydrophobicContact CD1-CD1 4.4Å; L26-I61 HydrophobicContact CD2-CD1 3.84Å; L26-V158 HydrophobicContact CB-CG1 3.9Å; L26-V158 HydrophobicContact CD1-CG1 4.36Å; L26-F162 HydrophobicContact CD1-CB 4.19Å; L26-F162 HydrophobicContact CD1-CD2 4.01Å; L26-F162 HydrophobicContact CD1-CG 4.1Å; L26-F162 HydrophobicContact CD2-CB 4.29Å; L26-F162 HydrophobicContact CD2-CD1 3.49Å; L26-F162 VanDerWaalsContact CD2-CD1 3.49Å; L26-F162 HydrophobicContact CD2-CD2 3.72Å; L26-F162 HydrophobicContact CD2-CE1 3.58Å; L26-F162 HydrophobicContact CD2-CE2 3.81Å; L26-F162 HydrophobicContact CD2-CG 3.55Å; L26-F162 HydrophobicContact CD2-CZ 3.73Å; L26-F162 HydrophobicContact CG-CD2 4.37Å; L26-F162 HydrophobicContact CG-CG 4.45Å
27V97.1Very high95.5Very high38 Ų3859.6 Ų59.623%0.2330%0.302CS..Hα-helixtrans-84.3-37.7-169177.40000112.2V23 L44 Q46 I61V23-V27 HydrophobicContact CG1-CG2 4.16Å; V23-V27 WeakPolarHBondContact O-CB 3.14Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.16Å; V27-L44 HydrophobicContact CB-CD2 4.3Å; V27-L44 HydrophobicContact CG1-CD2 4.12Å; V27-L44 HydrophobicContact CG2-CB 4.26Å; V27-L44 HydrophobicContact CG2-CD2 4.24Å; V27-Q46 HydrophobicContact CG2-CB 4.18Å; V27-I61 HydrophobicContact CG2-CD1 4.3Å
28K95.2Very high95.1Very high115 Ų11560.7 Ų60.750%0.531%0.308SS..Hα-helixtrans-117.6-0.7-171.7-56-163.9-167.51720114.1L24 Q30L24-K28 HydrophobicContact CD1-CB 4.02Å; L24-K28 HydrophobicContact CD1-CD 3.59Å; L24-K28 HydrophobicContact CD1-CG 3.94Å; L24-K28 WeakPolarHBondContact O-CA 3.4Å; L24-K28 WeakPolarHBondContact O-CB 3.46Å; L24-K28 PolarHBondContact O-N 3.17Å; K28-Q30 HydrophobicContact CB-CB 4.17Å; K28-Q30 HydrophobicContact CB-CG 4.19Å; K28-Q30 WeakPolarHBondContact O-CG 2.91Å; K28-Q30 PolarHBondContact O-N 3.16Å
29C95.1Very high94.7Very high98 Ų9866 Ų6666%0.66233%0.333SS*.SBendtrans52.635.5-171.4-63.10000112.5L24 R25L24-C29 PolarHBondContact O-N 2.76Å; R25-C29 PolarHBondContact NH1-O 2.73Å; R25-C29 WeakPolarHBondContact O-CA 3.11Å; R25-C29 PolarHBondContact O-N 3.1Å
30Q95.5Very high94.3Very high108 Ų10866.1 Ų66.151%0.50534%0.337SS..  trans-122.6154.1-175.4-77.7171.4600111.7L24 R25 K28L24-Q30 CarbonylContact C-O 3.5Å; L24-Q30 HydrophobicContact CD1-CB 4.36Å; L24-Q30 HydrophobicContact CD2-CB 4.11Å; L24-Q30 HydrophobicContact CG-CB 3.91Å; R25-Q30 VanDerWaalsContact CA-O 3.28Å; R25-Q30 WeakPolarHBondContact CA-O 3.34Å; R25-Q30 PolarHBondContact N-O 2.71Å; K28-Q30 HydrophobicContact CB-CB 4.17Å; K28-Q30 HydrophobicContact CB-CG 4.19Å; K28-Q30 WeakPolarHBondContact O-CG 2.91Å; K28-Q30 PolarHBondContact O-N 3.16Å
31F96.2Very high94.1Very high65 Ų6566.4 Ų66.429%0.28534%0.34SS..  trans-141.5139.6170.8173.6-93.6000108.9E33 A152 K153F31-E33 HydrophobicContact CE1-CB 4.45Å; F31-E33 WeakPolarHBondContact CE1-OE2 3.3Å; F31-A152 HydrophobicContact CD2-CB 4.09Å; F31-A152 HydrophobicContact CE2-CB 4.34Å; F31-K153 HydrophobicContact CD1-CB 4.35Å; F31-K153 HydrophobicContact CD1-CG 4.02Å; F31-K153 HydrophobicContact CD2-CB 4.16Å; F31-K153 HydrophobicContact CE1-CB 4.04Å; F31-K153 HydrophobicContact CE1-CD 4.01Å; F31-K153 HydrophobicContact CE1-CG 3.67Å; F31-K153 HydrophobicContact CE2-CB 3.83Å; F31-K153 HydrophobicContact CE2-CG 4.38Å; F31-K153 HydrophobicContact CG-CB 4.41Å; F31-K153 HydrophobicContact CZ-CB 3.76Å; F31-K153 HydrophobicContact CZ-CD 4.08Å; F31-K153 HydrophobicContact CZ-CG 3.86Å
32S93.5Very high94Very high47 Ų4767.5 Ų67.533%0.32935%0.35SS..  trans-119.9131171.2-177.50000108.6Y34S32-Y34 PolarHBondContact O-N 2.85Å; S32-Y34 PolarHBondContact OG-N 2.93Å; S32-Y34 PolarHBondContact OG-O 2.81Å
33E90.8Very high93.9Very high114 Ų11472.8 Ų72.853%0.53337%0.371SS..SBendtrans-64.3-33.6173.5-153.878.1-154.700110.8F31 K153F31-E33 HydrophobicContact CE1-CB 4.45Å; F31-E33 WeakPolarHBondContact CE1-OE2 3.3Å; E33-K153 VanDerWaalsContact CD-NZ 3.32Å; E33-K153 IonicContact OE1-NZ 3.62Å; E33-K153 PolarHBondContact OE1-NZ 2.87Å; E33-K153 WeakPolarHBondContact OE2-CE 3.45Å; E33-K153 IonicContact OE2-NZ 2.75Å; E33-K153 PolarHBondContact OE2-NZ 2.82Å
34Y89Confident93.9Very high206 Ų20674.4 Ų74.481%0.80838%0.379SS*.SBendtrans-112.790.3178.4-53.4-71.2000109.1S32S32-Y34 PolarHBondContact O-N 2.85Å; S32-Y34 PolarHBondContact OG-N 2.93Å; S32-Y34 PolarHBondContact OG-O 2.81Å
35Q88.2Confident93.9Very high89 Ų8975.8 Ų75.842%0.41639%0.389SS..PPolyproline II helixtrans-95.2124.7175.3-17656.950.600109.6
36E91.1Very high93.9Very high172 Ų17276 Ų7680%0.80439%0.391SS*.PPolyproline II helixtrans-63.5146.4172.7-67.2-172.4165.200111T38E36-T38 PolarHBondContact O-N 3.09Å
37A92.9Very high93.9Very high57 Ų5778.7 Ų78.747%0.47141%0.408SS..PPolyproline II helixtrans-67.6124.7179.600000110.8I39A37-I39 PolarHBondContact O-N 2.94Å
38T90.2Very high93.9Very high25 Ų2577.7 Ų77.715%0.15340%0.402CS..PPolyproline II helixtrans-58.4133.1173.9-53.60000110.9S20 E36 A42 D63 A65S20-T38 PolarHBondContact OG-OG1 3.27Å; E36-T38 PolarHBondContact O-N 3.09Å; T38-A42 HydrophobicContact CG2-CB 4.46Å; T38-D63 PolarHBondContact OG1-OD2 2.85Å; T38-A65 WeakPolarHBondContact O-CB 3.38Å
39I89.4Confident93.9Very high125 Ų12576.7 Ų76.764%0.64141%0.405SS*.  trans-104.3124.1175.1-62.6177000108.1A37 A41 Y70A37-I39 PolarHBondContact O-N 2.94Å; I39-A41 PolarHBondContact O-N 2.78Å; I39-A41 VanDerWaalsContact O-N 3.07Å; I39-Y70 HydrophobicContact CG2-CE1 4.26Å
40G90.5Very high94Very high12 Ų1272.4 Ų72.412%0.12438%0.376CS..SBendtrans66.4-104.8-17500000111.5A65G40-A65 WeakPolarHBondContact O-CB 3.42Å; G40-A65 PolarHBondContact O-N 2.91Å
41A93.6Very high93.8Very high26 Ų2673.7 Ų73.722%0.21539%0.386CS..EExtended strand (participates in β ladder)trans-151.5150.5170.500000111.8I39 W62 D63 Y77I39-A41 PolarHBondContact O-N 2.78Å; I39-A41 VanDerWaalsContact O-N 3.07Å; A41-W62 HydrophobicContact CB-CE3 4.17Å; A41-D63 CarbonylContact C-O 3.44Å; A41-D63 WeakPolarHBondContact CA-O 3.46Å; A41-D63 WeakPolarHBondContact CB-O 3.32Å; A41-Y77 HydrophobicContact CB-CD1 3.82Å; A41-Y77 HydrophobicContact CB-CD2 4.07Å; A41-Y77 HydrophobicContact CB-CE1 3.42Å; A41-Y77 VanDerWaalsContact CB-CE1 3.42Å; A41-Y77 HydrophobicContact CB-CE2 3.7Å; A41-Y77 HydrophobicContact CB-CG 4.13Å; A41-Y77 PolarHBondContact N-OH 3.22Å
42A95.5Very high93.4Very high36 Ų3677.2 Ų77.230%0.29841%0.408SS..EExtended strand (participates in β ladder)trans-100.8141.616900000110.4T38 L44 D63T38-A42 HydrophobicContact CG2-CB 4.46Å; A42-L44 HydrophobicContact CB-CD1 4.01Å; A42-D63 HydrophobicContact CB-CB 4.35Å; A42-D63 PolarHBondContact N-O 2.94Å; A42-D63 PolarHBondContact O-N 3.12Å
43Y96.4Very high93.2Very high112 Ų11279.6 Ų79.644%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-105.5126.5176.5177.3-98000110.6T45 E60 I61 W62Y43-T45 HydrophobicContact CE1-CG2 3.8Å; Y43-T45 WeakPolarHBondContact OH-CG2 3.49Å; Y43-E60 HydrophobicContact CE2-CB 3.94Å; Y43-I61 WeakPolarHBondContact CA-O 3.44Å; Y43-W62 HydrophobicContact CD2-CD2 4.07Å; Y43-W62 AromaticContact CD2-CE2 3.62Å; Y43-W62 HydrophobicContact CD2-CE3 4.47Å; Y43-W62 HydrophobicContact CD2-CH2 4.13Å; Y43-W62 AromaticContact CD2-CZ2 3.67Å; Y43-W62 HydrophobicContact CD2-CZ2 3.67Å; Y43-W62 AromaticContact CD2-NE1 3.88Å; Y43-W62 HydrophobicContact CE2-CZ2 4.18Å; Y43-W62 HydrophobicContact CG-CZ2 4.5Å
44L97.8Very high93.3Very high36 Ų3678.1 Ų78.119%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-136.3161.6176-6395.5000109.9V23 V27 A42 I61V23-L44 HydrophobicContact CG1-CB 4.33Å; V23-L44 HydrophobicContact CG1-CD1 3.84Å; V23-L44 HydrophobicContact CG1-CD2 4.09Å; V23-L44 HydrophobicContact CG1-CG 4.3Å; V27-L44 HydrophobicContact CB-CD2 4.3Å; V27-L44 HydrophobicContact CG1-CD2 4.12Å; V27-L44 HydrophobicContact CG2-CB 4.26Å; V27-L44 HydrophobicContact CG2-CD2 4.24Å; A42-L44 HydrophobicContact CB-CD1 4.01Å; L44-I61 PolarHBondContact N-O 2.76Å; L44-I61 WeakPolarHBondContact O-CA 3.31Å; L44-I61 PolarHBondContact O-N 3.28Å
45T97.9Very high93.6Very high55 Ų5568.5 Ų68.534%0.33739%0.385SS..EExtended strand (participates in β ladder)trans-127.3141.6172.164.40000110.8Y43 F59Y43-T45 HydrophobicContact CE1-CG2 3.8Å; Y43-T45 WeakPolarHBondContact OH-CG2 3.49Å; T45-F59 WeakPolarHBondContact CA-O 3.21Å
46Q97.9Very high94Very high49 Ų4965.6 Ų65.623%0.22937%0.374CS..EExtended strand (participates in β ladder)trans-134.2136.6171.3-176.462.19.900110.2L26 V27 I48 F59 I61L26-Q46 HydrophobicContact CD1-CG 4.41Å; L26-Q46 HydrophobicContact CD2-CB 4.14Å; L26-Q46 HydrophobicContact CD2-CG 4.07Å; L26-Q46 HydrophobicContact CG-CB 4.47Å; L26-Q46 HydrophobicContact CG-CG 3.96Å; V27-Q46 HydrophobicContact CG2-CB 4.18Å; Q46-I48 HydrophobicContact CG-CD1 3.93Å; Q46-F59 PolarHBondContact N-O 3.37Å; Q46-F59 VanDerWaalsContact N-O 3.12Å; Q46-F59 PolarHBondContact O-N 2.88Å; Q46-I61 HydrophobicContact CB-CD1 4.02Å
47T97.9Very high94.3Very high67 Ų6757.4 Ų57.441%0.41134%0.336SS..EExtended strand (participates in β ladder)trans-102.3126171.6-63.30000110.1T56 V57T47-T56 HydrophobicContact CG2-CG2 3.3Å; T47-V57 CarbonylContact C-O 3.59Å; T47-V57 WeakPolarHBondContact CA-O 3.34Å
48I97.3Very high94.6Very high17 Ų1758.6 Ų58.69%0.08733%0.33CS..EExtended strand (participates in β ladder)trans-105.9130.1173.2-55.4-59000108.2L26 Q46 L50 T56 V57 F59L26-I48 HydrophobicContact CD1-CD1 4.4Å; Q46-I48 HydrophobicContact CG-CD1 3.93Å; I48-L50 HydrophobicContact CG2-CD2 4.12Å; I48-T56 WeakPolarHBondContact O-CA 3.39Å; I48-V57 PolarHBondContact N-O 3.49Å; I48-V57 PolarHBondContact O-N 2.89Å; I48-F59 HydrophobicContact CG1-CD2 3.99Å; I48-F59 HydrophobicContact CG1-CE2 3.88Å
49V96.2Very high95Very high94 Ų9457.4 Ų57.457%0.5732%0.323SS*.EExtended strand (participates in β ladder)trans-104.6123.9175.7-178.20000108.4T56V49-T56 HydrophobicContact CG2-CG2 4.38Å
50L95.5Very high95.4Very high9 Ų954.3 Ų54.35%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-104.9138.9175.9-57.4175.8000108.5I48 P54 A55 T163 A166 R167 L170I48-L50 HydrophobicContact CG2-CD2 4.12Å; L50-P54 VanDerWaalsContact O-CA 3.31Å; L50-P54 WeakPolarHBondContact O-CA 3.32Å; L50-A55 HydrophobicContact CB-CB 4.32Å; L50-A55 HydrophobicContact CD1-CB 4.42Å; L50-A55 PolarHBondContact N-O 2.95Å; L50-A55 PolarHBondContact O-N 2.83Å; L50-T163 HydrophobicContact CD2-CG2 3.66Å; L50-A166 HydrophobicContact CD1-CB 4.19Å; L50-R167 HydrophobicContact CD1-CG 3.96Å; L50-R167 HydrophobicContact CD2-CG 4.16Å; L50-L170 HydrophobicContact CD1-CD1 3.56Å
51N91.1Very high95.7Very high134 Ų13453.8 Ų53.872%0.71730%0.3SS*.EExtended strand (participates in β ladder)trans-101.4-18.1-176.5-65.1-31.1000113.7P54N51-P54 WeakPolarHBondContact O-CD 3.32Å; N51-P54 WeakPolarHBondContact O-CG 3.34Å
52D88Confident95.9Very high139 Ų13955.9 Ų55.974%0.74330%0.302SS*.THydrogen-bonded Turntrans-144.2103.1-175.5-169.814000111.8
53P88.9Confident96Very high98 Ų9854.4 Ų54.464%0.63629%0.289SS*.THydrogen-bonded Turncis-65157.1-15.229.8-34.7000111.5A55P53-A55 PolarHBondContact O-N 2.83Å; P53-A55 VanDerWaalsContact O-N 3.09Å
54P93.1Very high95.9Very high82 Ų8249.3 Ų49.353%0.53227%0.27SS..EExtended strand (participates in β ladder)trans-59.1113.3177.2-26.134.5000113.1A2 N3 L50 N51A2-P54 WeakPolarHBondContact CA-O 3.15Å; A2-P54 HydrophobicContact CB-CB 4.24Å; N3-P54 PolarHBondContact N-O 3.16Å; L50-P54 VanDerWaalsContact O-CA 3.31Å; L50-P54 WeakPolarHBondContact O-CA 3.32Å; N51-P54 WeakPolarHBondContact O-CD 3.32Å; N51-P54 WeakPolarHBondContact O-CG 3.34Å
55A95.7Very high95.7Very high4 Ų448 Ų483%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-146.5160.9178.500000111.3N3 L50 P53 L170N3-A55 HydrophobicContact CB-CB 4.25Å; N3-A55 CarbonylContact O-C 3.46Å; N3-A55 VanDerWaalsContact O-CA 3.3Å; N3-A55 WeakPolarHBondContact O-CA 3.42Å; L50-A55 HydrophobicContact CB-CB 4.32Å; L50-A55 HydrophobicContact CD1-CB 4.42Å; L50-A55 PolarHBondContact N-O 2.95Å; L50-A55 PolarHBondContact O-N 2.83Å; P53-A55 PolarHBondContact O-N 2.83Å; P53-A55 VanDerWaalsContact O-N 3.09Å; A55-L170 HydrophobicContact CB-CD1 3.53Å
56T97Very high95Very high29 Ų2946.2 Ų46.218%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-134.8116176.7-570000108.4N3 R4 S5 T47 I48 V49N3-T56 PolarHBondContact O-N 3.22Å; R4-T56 WeakPolarHBondContact CA-O 3.41Å; S5-T56 PolarHBondContact N-O 3.47Å; S5-T56 VanDerWaalsContact N-O 3.08Å; T47-T56 HydrophobicContact CG2-CG2 3.3Å; I48-T56 WeakPolarHBondContact O-CA 3.39Å; V49-T56 HydrophobicContact CG2-CG2 4.38Å
57V97.4Very high94.6Very high0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-108.1120.8-179.8170.60000108.4T47 I48 F59 A166 L170T47-V57 CarbonylContact C-O 3.59Å; T47-V57 WeakPolarHBondContact CA-O 3.34Å; I48-V57 PolarHBondContact N-O 3.49Å; I48-V57 PolarHBondContact O-N 2.89Å; V57-F59 HydrophobicContact CG1-CD1 4.26Å; V57-F59 HydrophobicContact CG1-CD2 4.37Å; V57-F59 HydrophobicContact CG1-CE1 3.93Å; V57-F59 HydrophobicContact CG1-CE2 4.05Å; V57-F59 HydrophobicContact CG1-CG 4.47Å; V57-F59 HydrophobicContact CG1-CZ 3.82Å; V57-A166 HydrophobicContact CB-CB 4Å; V57-A166 HydrophobicContact CG1-CB 4.1Å; V57-A166 HydrophobicContact CG2-CB 4.01Å; V57-L170 HydrophobicContact CG2-CD1 3.94Å; V57-L170 HydrophobicContact CG2-CD2 4.2Å; V57-L170 HydrophobicContact CG2-CG 4.11Å
58K98.2Very high93.8Very high81 Ų8151.3 Ų51.335%0.35228%0.276SS..EExtended strand (participates in β ladder)trans-93.9121.5168.4-174.7-176.9177.2-169.50108.9S5 S6 H7S5-K58 PolarHBondContact O-N 2.66Å; S6-K58 CarbonylContact C-O 3.53Å; S6-K58 VanDerWaalsContact CA-O 3.28Å; S6-K58 WeakPolarHBondContact CA-O 3.35Å; H7-K58 PolarHBondContact N-O 3.28Å
59F98.4Very high93.5Very high0 Ų058.7 Ų58.70%030%0.303CS..EExtended strand (participates in β ladder)trans-89.5133.8169-70.7-61.1000111.1H7 L9 T45 Q46 I48 V57 I61 F162 I165 A166 L169H7-F59 HydrophobicContact CB-CD1 4.38Å; H7-F59 HydrophobicContact CB-CE1 4.47Å; H7-F59 WeakPolarHBondContact O-CA 3.12Å; L9-F59 HydrophobicContact CB-CD1 3.92Å; L9-F59 HydrophobicContact CD1-CD1 3.74Å; L9-F59 HydrophobicContact CD1-CE1 3.75Å; L9-F59 HydrophobicContact CD1-CG 4.25Å; L9-F59 HydrophobicContact CD1-CZ 4.26Å; L9-F59 HydrophobicContact CG-CD1 4.49Å; T45-F59 WeakPolarHBondContact CA-O 3.21Å; Q46-F59 PolarHBondContact N-O 3.37Å; Q46-F59 VanDerWaalsContact N-O 3.12Å; Q46-F59 PolarHBondContact O-N 2.88Å; I48-F59 HydrophobicContact CG1-CD2 3.99Å; I48-F59 HydrophobicContact CG1-CE2 3.88Å; V57-F59 HydrophobicContact CG1-CD1 4.26Å; V57-F59 HydrophobicContact CG1-CD2 4.37Å; V57-F59 HydrophobicContact CG1-CE1 3.93Å; V57-F59 HydrophobicContact CG1-CE2 4.05Å; V57-F59 HydrophobicContact CG1-CG 4.47Å; V57-F59 HydrophobicContact CG1-CZ 3.82Å; F59-I61 HydrophobicContact CB-CD1 4.2Å; F59-I61 HydrophobicContact CB-CG1 3.73Å; F59-F162 HydrophobicContact CD2-CD1 4.25Å; F59-F162 HydrophobicContact CE2-CB 4.21Å; F59-F162 HydrophobicContact CE2-CD1 4.32Å; F59-F162 WeakPolarHBondContact CE2-O 3.24Å; F59-I165 HydrophobicContact CE1-CG2 4.05Å; F59-I165 HydrophobicContact CZ-CB 4.29Å; F59-I165 HydrophobicContact CZ-CG2 3.9Å; F59-A166 HydrophobicContact CE2-CB 4.08Å; F59-A166 HydrophobicContact CZ-CB 3.86Å; F59-L169 HydrophobicContact CE1-CD1 3.62Å; F59-L169 HydrophobicContact CZ-CD1 4.2Å
60E97.9Very high93.1Very high61 Ų6156.1 Ų56.129%0.28528%0.284SS..EExtended strand (participates in β ladder)trans-102.291.9166.9-65.1179.9170.400107.5S6 H7 L9 Y43S6-E60 PolarHBondContact OG-OE1 3.17Å; H7-E60 PolarHBondContact O-N 2.97Å; L9-E60 PolarHBondContact N-O 3.36Å; Y43-E60 HydrophobicContact CE2-CB 3.94Å
61I98.3Very high92.8Very high0 Ų059.6 Ų59.60%030%0.299CS..EExtended strand (participates in β ladder)trans-89.3122.3-166.7-54.3174.8000109.8L9 I11 V23 L26 V27 Y43 L44 Q46 F59 F162L9-I61 HydrophobicContact CD2-CG1 4.45Å; L9-I61 HydrophobicContact CD2-CG2 4.17Å; L9-I61 CarbonylContact O-C 3.41Å; L9-I61 WeakPolarHBondContact O-CA 3.34Å; I11-I61 HydrophobicContact CD1-CG2 4.36Å; I11-I61 HydrophobicContact CG1-CG2 3.92Å; V23-I61 HydrophobicContact CG1-CG2 4.08Å; V23-I61 HydrophobicContact CG2-CG2 3.97Å; L26-I61 HydrophobicContact CD2-CD1 3.84Å; V27-I61 HydrophobicContact CG2-CD1 4.3Å; Y43-I61 WeakPolarHBondContact CA-O 3.44Å; L44-I61 PolarHBondContact N-O 2.76Å; L44-I61 WeakPolarHBondContact O-CA 3.31Å; L44-I61 PolarHBondContact O-N 3.28Å; Q46-I61 HydrophobicContact CB-CD1 4.02Å; F59-I61 HydrophobicContact CB-CD1 4.2Å; F59-I61 HydrophobicContact CB-CG1 3.73Å; I61-F162 HydrophobicContact CD1-CE1 4.26Å
62W97.1Very high92.7Very high70 Ų7057.9 Ų57.927%0.26530%0.298SS..EExtended strand (participates in β ladder)trans-103.898.6170.2-68.488.2000109.5K8 L9 V10 I11 A41 Y43 T64 Y77K8-W62 VanDerWaalsContact CE-CD1 3.5Å; L9-W62 PolarHBondContact O-N 3.14Å; V10-W62 HydrophobicContact CG2-CB 4.31Å; I11-W62 PolarHBondContact N-O 3.07Å; A41-W62 HydrophobicContact CB-CE3 4.17Å; Y43-W62 HydrophobicContact CD2-CD2 4.07Å; Y43-W62 AromaticContact CD2-CE2 3.62Å; Y43-W62 HydrophobicContact CD2-CE3 4.47Å; Y43-W62 HydrophobicContact CD2-CH2 4.13Å; Y43-W62 AromaticContact CD2-CZ2 3.67Å; Y43-W62 HydrophobicContact CD2-CZ2 3.67Å; Y43-W62 AromaticContact CD2-NE1 3.88Å; Y43-W62 HydrophobicContact CE2-CZ2 4.18Å; Y43-W62 HydrophobicContact CG-CZ2 4.5Å; W62-T64 PolarHBondContact O-N 3.46Å; W62-Y77 HydrophobicContact CD2-CD1 4.18Å; W62-Y77 AromaticContact CE3-CD1 3.61Å; W62-Y77 HydrophobicContact CE3-CD1 3.61Å; W62-Y77 AromaticContact CE3-CE1 3.85Å; W62-Y77 HydrophobicContact CE3-CE1 3.85Å; W62-Y77 HydrophobicContact CZ3-CD1 4.1Å; W62-Y77 AromaticContact CZ3-CE1 3.95Å; W62-Y77 HydrophobicContact CZ3-CE1 3.95Å
63D96.9Very high92.8Very high5 Ų554.2 Ų54.23%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-80.2108.9172.7175.736.6000109.6K19 S20 V23 T38 A41 A42K19-D63 WeakPolarHBondContact CB-OD1 3.17Å; S20-D63 WeakPolarHBondContact CA-OD2 3.04Å; S20-D63 WeakPolarHBondContact CB-OD2 3.33Å; S20-D63 PolarHBondContact OG-OD1 2.96Å; S20-D63 PolarHBondContact OG-OD2 3.41Å; V23-D63 HydrophobicContact CG2-CB 4.27Å; T38-D63 PolarHBondContact OG1-OD2 2.85Å; A41-D63 CarbonylContact C-O 3.44Å; A41-D63 WeakPolarHBondContact CA-O 3.46Å; A41-D63 WeakPolarHBondContact CB-O 3.32Å; A42-D63 HydrophobicContact CB-CB 4.35Å; A42-D63 PolarHBondContact N-O 2.94Å; A42-D63 PolarHBondContact O-N 3.12Å
64T95Very high92.8Very high5 Ų549.7 Ų49.73%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-89.5154.7-174.9760000112.6V10 I11 L12 K19 W62 Y77V10-T64 HydrophobicContact CG2-CG2 3.67Å; I11-T64 WeakPolarHBondContact O-CG2 3.1Å; I11-T64 PolarHBondContact O-N 3.35Å; I11-T64 PolarHBondContact O-OG1 3.48Å; L12-T64 HydrophobicContact CD2-CG2 4.06Å; K19-T64 WeakPolarHBondContact CE-O 3.33Å; W62-T64 PolarHBondContact O-N 3.46Å; T64-Y77 HydrophobicContact CG2-CD2 4.01Å; T64-Y77 HydrophobicContact CG2-CG 4.18Å
65A93.2Very high92.6Very high9 Ų948 Ų487%0.07424%0.237CC..  trans-58.8139.8165.300000110.9T38 G40 Y70T38-A65 WeakPolarHBondContact O-CB 3.38Å; G40-A65 WeakPolarHBondContact O-CB 3.42Å; G40-A65 PolarHBondContact O-N 2.91Å; A65-Y70 HydrophobicContact CB-CD2 3.52Å; A65-Y70 HydrophobicContact CB-CE2 4.37Å; A65-Y70 HydrophobicContact CB-CG 3.93Å
66G84.4Confident92.5Very high18 Ų1852.9 Ų52.919%0.18626%0.261CS..  trans-95.1-4.4173.900000114.5G13 S15G13-G66 WeakPolarHBondContact O-CA 3.22Å; S15-G66 PolarHBondContact N-O 3.08Å
67Q88.8Confident92.2Very high63 Ų6353 Ų5329%0.29426%0.259SS..SBendtrans-77.2137.6-179-57.2176.461.800110R69 Y70Q67-R69 HydrophobicContact CB-CG 4.14Å; Q67-R69 PolarHBondContact O-N 2.88Å; Q67-Y70 HydrophobicContact CB-CD2 3.92Å; Q67-Y70 HydrophobicContact CB-CE2 4.29Å; Q67-Y70 PolarHBondContact O-N 2.94Å
68E82.2Confident91.9Very high159 Ų15953.8 Ų53.874%0.74326%0.262SS*.G310 helixtrans-55.3-38.1-177-175.6-83.1176.100112.8Y70 H71E68-Y70 PolarHBondContact O-N 3.31Å; E68-H71 WeakPolarHBondContact O-CB 2.98Å; E68-H71 PolarHBondContact O-N 2.87Å
69R89.2Confident91.6Very high173 Ų17359.4 Ų59.465%0.65328%0.28SS*.G310 helixtrans-57.5-16.6177.469.1178.1-66.4-176.81.1115Q67Q67-R69 HydrophobicContact CB-CG 4.14Å; Q67-R69 PolarHBondContact O-N 2.88Å
70Y89.4Confident91.2Very high40 Ų4061.7 Ų61.716%0.15730%0.304CS..G310 helixtrans-107.71.1176.7-57.3-62.9000113I39 A65 Q67 E68 S72 L73I39-Y70 HydrophobicContact CG2-CE1 4.26Å; A65-Y70 HydrophobicContact CB-CD2 3.52Å; A65-Y70 HydrophobicContact CB-CE2 4.37Å; A65-Y70 HydrophobicContact CB-CG 3.93Å; Q67-Y70 HydrophobicContact CB-CD2 3.92Å; Q67-Y70 HydrophobicContact CB-CE2 4.29Å; Q67-Y70 PolarHBondContact O-N 2.94Å; E68-Y70 PolarHBondContact O-N 3.31Å; Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 3.25Å; Y70-L73 HydrophobicContact CD1-CD1 4.09Å; Y70-L73 VanDerWaalsContact O-CB 3.32Å; Y70-L73 WeakPolarHBondContact O-CB 3.47Å; Y70-L73 PolarHBondContact O-N 2.95Å
71H87.7Confident91.1Very high82 Ų8259.2 Ų59.238%0.3829%0.294SS..G310 helixtrans-57.2-37.8-177.5178.274.8000112.2E68 L73 A74 W102 E105E68-H71 WeakPolarHBondContact O-CB 2.98Å; E68-H71 PolarHBondContact O-N 2.87Å; H71-L73 PolarHBondContact O-N 3.47Å; H71-L73 VanDerWaalsContact O-N 3.1Å; H71-A74 WeakPolarHBondContact O-CB 3.46Å; H71-A74 PolarHBondContact O-N 3Å; H71-W102 AromaticContact CE1-CH2 3.33Å; H71-W102 WeakPolarHBondContact CE1-CH2 3.24Å; H71-W102 AromaticContact CE1-CZ2 3.78Å; H71-W102 AromaticContact CE1-CZ3 3.66Å; H71-W102 AromaticContact ND1-CH2 2.98Å; H71-W102 WeakPolarHBondContact ND1-CH2 3.33Å; H71-W102 AromaticContact ND1-CZ2 3.22Å; H71-W102 WeakPolarHBondContact ND1-CZ2 3.36Å; H71-W102 AromaticContact ND1-CZ3 3.81Å; H71-E105 IonicContact CE1-OE2 2.76Å; H71-E105 PolarHBondContact CE1-OE2 3.33Å; H71-E105 IonicContact NE2-OE2 3.41Å
72S89.5Confident90.9Very high97 Ų9762.7 Ų62.768%0.67831%0.311SS*.G310 helixtrans-61.8-17.4176.259.90000114.3Y70Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 3.25Å
73L90.5Very high90.9Very high62 Ų6259.5 Ų59.533%0.32530%0.299SS..G310 helixtrans-84.8-24.3174.9-57.2178.4000112.3Y70 H71 P75 M76 Y77Y70-L73 HydrophobicContact CD1-CD1 4.09Å; Y70-L73 VanDerWaalsContact O-CB 3.32Å; Y70-L73 WeakPolarHBondContact O-CB 3.47Å; Y70-L73 PolarHBondContact O-N 2.95Å; H71-L73 PolarHBondContact O-N 3.47Å; H71-L73 VanDerWaalsContact O-N 3.1Å; L73-P75 VanDerWaalsContact C-N 3.31Å; L73-P75 VanDerWaalsContact O-N 3.15Å; L73-M76 HydrophobicContact CB-SD 4.02Å; L73-M76 HydrophobicContact CD2-SD 4.06Å; L73-M76 WeakPolarHBondContact O-CB 3.38Å; L73-M76 WeakPolarHBondContact O-CG 3.28Å; L73-M76 PolarHBondContact O-N 2.92Å; L73-Y77 HydrophobicContact CB-CE2 3.89Å; L73-Y77 WeakPolarHBondContact O-CD2 3.36Å
74A88.3Confident90.9Very high4 Ų459.5 Ų59.53%0.03330%0.3CS..Hα-helixtrans-51.6-40.5-175.200000114.6L12 H71 M76 Y77 Y78 W102L12-A74 HydrophobicContact CD2-CB 4.14Å; H71-A74 WeakPolarHBondContact O-CB 3.46Å; H71-A74 PolarHBondContact O-N 3Å; A74-M76 PolarHBondContact O-N 2.83Å; A74-M76 VanDerWaalsContact O-N 3.16Å; A74-Y77 PolarHBondContact O-N 3.36Å; A74-Y78 HydrophobicContact CB-CD1 4.37Å; A74-Y78 HydrophobicContact CB-CE1 4.27Å; A74-Y78 WeakPolarHBondContact O-CD1 3.43Å; A74-Y78 PolarHBondContact O-N 3.41Å; A74-Y78 VanDerWaalsContact O-N 3.07Å; A74-W102 HydrophobicContact CB-CH2 3.37Å; A74-W102 HydrophobicContact CB-CZ3 3.61Å
75P90.4Very high91.1Very high45 Ų4559.2 Ų59.229%0.29230%0.298SS..Hα-helixtrans-56.8-31.2176.1-23.632.8000115.1L73 Y77 Y78 R79L73-P75 VanDerWaalsContact C-N 3.31Å; L73-P75 VanDerWaalsContact O-N 3.15Å; P75-Y77 VanDerWaalsContact C-N 3.29Å; P75-Y77 PolarHBondContact O-N 2.78Å; P75-Y78 VanDerWaalsContact CA-CE1 3.41Å; P75-Y78 HydrophobicContact CB-CE1 4.16Å; P75-Y78 HydrophobicContact CB-CE2 4.19Å; P75-Y78 WeakPolarHBondContact CB-OH 3.46Å; P75-Y78 HydrophobicContact CG-CE1 4.12Å; P75-Y78 WeakPolarHBondContact CG-OH 3.2Å; P75-R79 VanDerWaalsContact O-CB 3.26Å; P75-R79 WeakPolarHBondContact O-CB 3.43Å; P75-R79 PolarHBondContact O-N 3.2Å
76M91.9Very high91.4Very high107 Ų10758.8 Ų58.853%0.52730%0.295SS..Hα-helixtrans-68.5-32.4176.891-165.2-8300111.7L73 A74L73-M76 HydrophobicContact CB-SD 4.02Å; L73-M76 HydrophobicContact CD2-SD 4.06Å; L73-M76 WeakPolarHBondContact O-CB 3.38Å; L73-M76 WeakPolarHBondContact O-CG 3.28Å; L73-M76 PolarHBondContact O-N 2.92Å; A74-M76 PolarHBondContact O-N 2.83Å; A74-M76 VanDerWaalsContact O-N 3.16Å
77Y91.8Very high92Very high33 Ų3358 Ų5813%0.12929%0.286CS..Hα-helixtrans-84.1-43-176.2-62.2-60.5000112.1K8 A41 W62 T64 L73 A74 P75 R79K8-Y77 WeakPolarHBondContact CE-O 3.47Å; K8-Y77 PolarHBondContact NZ-O 2.95Å; A41-Y77 HydrophobicContact CB-CD1 3.82Å; A41-Y77 HydrophobicContact CB-CD2 4.07Å; A41-Y77 HydrophobicContact CB-CE1 3.42Å; A41-Y77 VanDerWaalsContact CB-CE1 3.42Å; A41-Y77 HydrophobicContact CB-CE2 3.7Å; A41-Y77 HydrophobicContact CB-CG 4.13Å; A41-Y77 PolarHBondContact N-OH 3.22Å; W62-Y77 HydrophobicContact CD2-CD1 4.18Å; W62-Y77 AromaticContact CE3-CD1 3.61Å; W62-Y77 HydrophobicContact CE3-CD1 3.61Å; W62-Y77 AromaticContact CE3-CE1 3.85Å; W62-Y77 HydrophobicContact CE3-CE1 3.85Å; W62-Y77 HydrophobicContact CZ3-CD1 4.1Å; W62-Y77 AromaticContact CZ3-CE1 3.95Å; W62-Y77 HydrophobicContact CZ3-CE1 3.95Å; T64-Y77 HydrophobicContact CG2-CD2 4.01Å; T64-Y77 HydrophobicContact CG2-CG 4.18Å; L73-Y77 HydrophobicContact CB-CE2 3.89Å; L73-Y77 WeakPolarHBondContact O-CD2 3.36Å; A74-Y77 PolarHBondContact O-N 3.36Å; P75-Y77 VanDerWaalsContact C-N 3.29Å; P75-Y77 PolarHBondContact O-N 2.78Å; Y77-R79 VanDerWaalsContact C-N 3.34Å
78Y91.7Very high92.5Very high16 Ų1655 Ų556%0.06327%0.272CS..Hα-helixtrans-79-15.2177.965.3-118.7000113.7L12 A74 P75 G80 A81 E105 L106 K109L12-Y78 HydrophobicContact CD1-CD1 4.27Å; A74-Y78 HydrophobicContact CB-CD1 4.37Å; A74-Y78 HydrophobicContact CB-CE1 4.27Å; A74-Y78 WeakPolarHBondContact O-CD1 3.43Å; A74-Y78 PolarHBondContact O-N 3.41Å; A74-Y78 VanDerWaalsContact O-N 3.07Å; P75-Y78 VanDerWaalsContact CA-CE1 3.41Å; P75-Y78 HydrophobicContact CB-CE1 4.16Å; P75-Y78 HydrophobicContact CB-CE2 4.19Å; P75-Y78 WeakPolarHBondContact CB-OH 3.46Å; P75-Y78 HydrophobicContact CG-CE1 4.12Å; P75-Y78 WeakPolarHBondContact CG-OH 3.2Å; Y78-G80 PolarHBondContact O-N 3.48Å; Y78-G80 VanDerWaalsContact O-N 3.12Å; Y78-A81 VanDerWaalsContact O-CB 3.28Å; Y78-A81 WeakPolarHBondContact O-CB 3.34Å; Y78-A81 PolarHBondContact O-N 2.99Å; Y78-E105 PolarHBondContact OH-OE1 3.44Å; Y78-L106 HydrophobicContact CD1-CD2 4.04Å; Y78-L106 HydrophobicContact CD2-CD2 4.28Å; Y78-L106 HydrophobicContact CG-CD2 3.86Å; Y78-K109 HydrophobicContact CE2-CB 4.38Å; Y78-K109 WeakPolarHBondContact OH-CD 3.37Å
79R91Very high93.3Very high198 Ų19847.8 Ų47.875%0.74724%0.239SC*.THydrogen-bonded Turntrans-54.5121.9173.7173176.6-91.8161.4-6.1110.4K8 P75 Y77 A81K8-R79 PolarHBondContact NZ-O 2.94Å; P75-R79 VanDerWaalsContact O-CB 3.26Å; P75-R79 WeakPolarHBondContact O-CB 3.43Å; P75-R79 PolarHBondContact O-N 3.2Å; Y77-R79 VanDerWaalsContact C-N 3.34Å; R79-A81 PolarHBondContact O-N 3.23Å
80G90.8Very high93.8Very high49 Ų4939.6 Ų39.651%0.50521%0.208SC..THydrogen-bonded Turntrans70.68.6-179.500000114.9Y78Y78-G80 PolarHBondContact O-N 3.48Å; Y78-G80 VanDerWaalsContact O-N 3.12Å
81A94.7Very high94.2Very high9 Ų939.3 Ų39.37%0.07421%0.21CC..  trans-68.9132.417000000109.6K8 V10 Y78 R79K8-A81 HydrophobicContact CD-CB 4.35Å; K8-A81 HydrophobicContact CG-CB 4.21Å; V10-A81 HydrophobicContact CB-CB 4.42Å; V10-A81 HydrophobicContact CG1-CB 4.15Å; Y78-A81 VanDerWaalsContact O-CB 3.28Å; Y78-A81 WeakPolarHBondContact O-CB 3.34Å; Y78-A81 PolarHBondContact O-N 2.99Å; R79-A81 PolarHBondContact O-N 3.23Å
82Q95.3Very high94.7Very high73 Ų7338.2 Ų38.234%0.34121%0.207SC..SBendtrans-87-16.4174.4-60.991.6-13.600112H7 K8 G114 V115 L169H7-Q82 HydrophobicContact CB-CB 4.49Å; K8-Q82 PolarHBondContact O-N 3.31Å; K8-Q82 PolarHBondContact O-OE1 2.87Å; Q82-G114 CarbonylContact O-C 3.56Å; Q82-G114 WeakPolarHBondContact O-CA 3.11Å; Q82-V115 PolarHBondContact O-N 2.92Å; Q82-L169 HydrophobicContact CB-CD2 3.89Å; Q82-L169 WeakPolarHBondContact O-CD2 3.29Å
83A96.7Very high95.2Very high2 Ų236.5 Ų36.52%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-139.6152.3172.600000112.2K8 L9 V10 V115 I165 L169K8-A83 PolarHBondContact O-N 2.77Å; L9-A83 WeakPolarHBondContact CA-O 3.49Å; L9-A83 HydrophobicContact CB-CB 4.41Å; L9-A83 HydrophobicContact CD1-CB 4.01Å; L9-A83 HydrophobicContact CG-CB 4.12Å; V10-A83 PolarHBondContact N-O 2.91Å; V10-A83 VanDerWaalsContact N-O 3.08Å; A83-V115 CarbonylContact C-O 3.55Å; A83-V115 WeakPolarHBondContact CA-O 3.37Å; A83-V115 HydrophobicContact CB-CB 4.35Å; A83-I165 HydrophobicContact CB-CG2 3.61Å; A83-L169 HydrophobicContact CB-CD1 4.17Å; A83-L169 HydrophobicContact CB-CD2 4.44Å
84A97.3Very high95.5Very high5 Ų537.3 Ų37.34%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-134.2140.6172.100000110.2V10 L106 V115 A117V10-A84 HydrophobicContact CG1-CB 3.68Å; V10-A84 CarbonylContact O-C 3.45Å; V10-A84 WeakPolarHBondContact O-CA 2.95Å; A84-L106 HydrophobicContact CB-CD1 3.68Å; A84-L106 HydrophobicContact CB-CD2 4.47Å; A84-V115 PolarHBondContact N-O 2.79Å; A84-A117 PolarHBondContact O-N 3.02Å
85V98.6Very high96Very high0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-111.8116.5166.5-173.70000107.8L9 V10 I11 L12 V87 A117 A119 L161 F162 I165L9-V85 HydrophobicContact CD1-CG2 4.37Å; L9-V85 HydrophobicContact CD2-CG2 4.17Å; V10-V85 PolarHBondContact O-N 3.12Å; I11-V85 CarbonylContact C-O 3.45Å; I11-V85 WeakPolarHBondContact CA-O 3.34Å; I11-V85 HydrophobicContact CD1-CB 3.67Å; I11-V85 HydrophobicContact CD1-CG2 3.77Å; L12-V85 PolarHBondContact N-O 3.08Å; V85-V87 HydrophobicContact CG1-CG2 3.9Å; V85-A117 CarbonylContact C-O 3.59Å; V85-A117 WeakPolarHBondContact CA-O 3.45Å; V85-A119 HydrophobicContact CG1-CB 3.85Å; V85-L161 HydrophobicContact CG1-CD2 4.01Å; V85-F162 HydrophobicContact CG2-CZ 4.46Å; V85-I165 HydrophobicContact CG2-CD1 3.53Å
86V98.4Very high96.4Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-98.2116173.6-174.70000108A99 W102 V103 L106 I116 A117 L118 A119V86-A99 HydrophobicContact CG1-CB 3.64Å; V86-W102 HydrophobicContact CG1-CB 3.77Å; V86-W102 HydrophobicContact CG2-CB 4.34Å; V86-V103 HydrophobicContact CB-CG2 4.31Å; V86-V103 HydrophobicContact CG1-CG2 4.31Å; V86-V103 HydrophobicContact CG2-CG2 4.17Å; V86-L106 HydrophobicContact CG2-CD1 3.72Å; V86-I116 HydrophobicContact CG2-CG2 4.28Å; V86-A117 PolarHBondContact N-O 2.91Å; V86-L118 WeakPolarHBondContact O-CA 3.45Å; V86-A119 PolarHBondContact O-N 2.99Å
87V98.9Very high96.7Very high0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-104.5134.3-173.1-170.80000110.1I11 L12 G13 V17 K19 I22 V85 A119 N121I11-V87 HydrophobicContact CG2-CG2 3.77Å; L12-V87 PolarHBondContact O-N 2.76Å; G13-V87 WeakPolarHBondContact CA-O 3.3Å; V17-V87 HydrophobicContact CB-CG1 4.27Å; V17-V87 HydrophobicContact CG2-CB 3.89Å; V17-V87 HydrophobicContact CG2-CG1 3.8Å; K19-V87 HydrophobicContact CG-CB 4.06Å; K19-V87 HydrophobicContact CG-CG2 4.07Å; I22-V87 HydrophobicContact CD1-CG1 3.8Å; I22-V87 HydrophobicContact CD1-CG2 4.1Å; V85-V87 HydrophobicContact CG1-CG2 3.9Å; V87-A119 WeakPolarHBondContact CA-O 3.42Å; V87-A119 HydrophobicContact CG2-CB 4.38Å; V87-N121 HydrophobicContact CG1-CB 3.84Å
88Y98.9Very high97Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-124.1167164.673.3-83.2000110.2I90 F96 L118 A119 N121 V131 A136 F147Y88-I90 HydrophobicContact CE2-CG2 3.99Å; Y88-F96 AromaticContact CD1-CD2 3.81Å; Y88-F96 HydrophobicContact CD1-CD2 3.81Å; Y88-F96 HydrophobicContact CD1-CE2 4.44Å; Y88-F96 HydrophobicContact CD2-CB 3.83Å; Y88-F96 HydrophobicContact CD2-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CG 4.24Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.23Å; Y88-F96 HydrophobicContact CE2-CB 4.4Å; Y88-F96 HydrophobicContact CE2-CD2 4.16Å; Y88-F96 HydrophobicContact CE2-CG 4.43Å; Y88-F96 HydrophobicContact CG-CB 4.11Å; Y88-F96 AromaticContact CG-CD2 3.87Å; Y88-F96 HydrophobicContact CG-CD2 3.87Å; Y88-F96 HydrophobicContact CG-CG 4.42Å; Y88-L118 HydrophobicContact CD1-CD1 3.81Å; Y88-L118 HydrophobicContact CD1-CG 4.18Å; Y88-L118 HydrophobicContact CE1-CD1 4.09Å; Y88-L118 HydrophobicContact CE1-CD2 4.16Å; Y88-L118 HydrophobicContact CE1-CG 3.95Å; Y88-A119 WeakPolarHBondContact CD1-O 3.36Å; Y88-A119 PolarHBondContact N-O 2.92Å; Y88-N121 PolarHBondContact O-N 3.24Å; Y88-V131 HydrophobicContact CD2-CG2 4.26Å; Y88-V131 HydrophobicContact CE2-CB 3.94Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.08Å; Y88-A136 HydrophobicContact CE1-CB 4.42Å; Y88-A136 WeakPolarHBondContact OH-CB 3.41Å; Y88-F147 HydrophobicContact CE1-CE2 4.13Å
89D98.7Very high97.3Very high9 Ų937.6 Ų37.65%0.04819%0.185CC..EExtended strand (participates in β ladder)trans-101.2122.3174.9177-3.2000109V17 T91 N92 S95 K122V17-D89 HydrophobicContact CB-CB 4.29Å; V17-D89 HydrophobicContact CG1-CB 4.23Å; D89-T91 PolarHBondContact O-N 3.36Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 PolarHBondContact OD1-N 2.96Å; D89-T91 PolarHBondContact OD1-OG1 3.02Å; D89-T91 VanDerWaalsContact OD1-OG1 3.12Å; D89-T91 PolarHBondContact OD2-OG1 3.41Å; D89-N92 HydrophobicContact CB-CB 4.14Å; D89-N92 PolarHBondContact O-N 3.23Å; D89-S95 PolarHBondContact N-OG 2.99Å; D89-S95 PolarHBondContact O-OG 3.43Å; D89-K122 WeakPolarHBondContact OD1-CD 3.38Å; D89-K122 WeakPolarHBondContact OD2-CD 3.24Å; D89-K122 WeakPolarHBondContact OD2-CE 3.18Å; D89-K122 IonicContact OD2-NZ 3.36Å; D89-K122 PolarHBondContact OD2-NZ 2.89Å
90I98.8Very high97.7Very high0 Ų029.8 Ų29.80%016%0.156CC..THydrogen-bonded Turntrans-61-21.3-177.765.9151.6000112.9Y88 N92 N121 V123 R129 A130 V131Y88-I90 HydrophobicContact CE2-CG2 3.99Å; I90-N92 VanDerWaalsContact C-N 3.31Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 3.33Å; I90-V123 HydrophobicContact CD1-CB 4.45Å; I90-V123 HydrophobicContact CD1-CG1 4.24Å; I90-R129 HydrophobicContact CD1-CB 4.44Å; I90-A130 PolarHBondContact O-N 3.48Å; I90-V131 PolarHBondContact O-N 2.81Å
91T98.7Very high97.9Very high35 Ų3530.6 Ų30.622%0.21515%0.154CC..THydrogen-bonded Turntrans-88.42.9178.681.10000112.7D89 L125 Q128D89-T91 PolarHBondContact O-N 3.36Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 PolarHBondContact OD1-N 2.96Å; D89-T91 PolarHBondContact OD1-OG1 3.02Å; D89-T91 VanDerWaalsContact OD1-OG1 3.12Å; D89-T91 PolarHBondContact OD2-OG1 3.41Å; T91-L125 HydrophobicContact CG2-CB 3.65Å; T91-L125 HydrophobicContact CG2-CD1 4.12Å; T91-Q128 WeakPolarHBondContact CA-O 3.35Å; T91-Q128 VanDerWaalsContact CB-O 3.29Å; T91-Q128 WeakPolarHBondContact CB-O 3.21Å; T91-Q128 HydrophobicContact CG2-CB 3.85Å
92N98.5Very high98Very high59 Ų5931.4 Ų31.432%0.31616%0.155SC..  trans-138.599.5-173.9-178.2-12.1000111.9D89 I90 N94 S95 F96D89-N92 HydrophobicContact CB-CB 4.14Å; D89-N92 PolarHBondContact O-N 3.23Å; I90-N92 VanDerWaalsContact C-N 3.31Å; N92-N94 VanDerWaalsContact C-N 3.29Å; N92-N94 PolarHBondContact O-N 3.42Å; N92-N94 WeakPolarHBondContact OD1-CB 3.44Å; N92-N94 PolarHBondContact OD1-N 3.33Å; N92-S95 WeakPolarHBondContact O-CB 3.37Å; N92-S95 PolarHBondContact O-N 2.91Å; N92-S95 PolarHBondContact O-OG 3.04Å; N92-S95 PolarHBondContact OD1-N 3.33Å; N92-F96 PolarHBondContact O-N 2.84Å
93Q98.3Very high98Very high61 Ų6127.9 Ų27.929%0.28514%0.139SC..Hα-helixtrans-55.4-40.1177.8-171.867.631.200113.2S95 F96 E97 A130 E135Q93-S95 VanDerWaalsContact C-N 3.25Å; Q93-S95 PolarHBondContact O-N 3.29Å; Q93-F96 WeakPolarHBondContact O-CB 3.46Å; Q93-F96 PolarHBondContact O-N 2.92Å; Q93-E97 PolarHBondContact NE2-OE1 2.85Å; Q93-E97 PolarHBondContact O-N 3.05Å; Q93-E97 VanDerWaalsContact O-N 3.09Å; Q93-A130 PolarHBondContact OE1-O 2.59Å; Q93-E135 PolarHBondContact NE2-OE1 3.32Å
94N98.3Very high97.9Very high79 Ų7931.2 Ų31.242%0.42216%0.156SC..Hα-helixtrans-62.1-37.1179.7175.178.7000111.4E14 N92 F96 E97 R98E14-N94 PolarHBondContact OE1-ND2 3.35Å; E14-N94 PolarHBondContact OE2-ND2 3.43Å; N92-N94 VanDerWaalsContact C-N 3.29Å; N92-N94 PolarHBondContact O-N 3.42Å; N92-N94 WeakPolarHBondContact OD1-CB 3.44Å; N92-N94 PolarHBondContact OD1-N 3.33Å; N94-F96 PolarHBondContact O-N 2.84Å; N94-E97 PolarHBondContact O-N 2.86Å; N94-R98 WeakPolarHBondContact O-CG 3.38Å; N94-R98 PolarHBondContact O-N 3.03Å
95S98.5Very high97.7Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-64.5-31177.180.50000112.5E14 D89 N92 Q93 A99E14-S95 VanDerWaalsContact OE2-CA 3.3Å; E14-S95 WeakPolarHBondContact OE2-CA 3.28Å; D89-S95 PolarHBondContact N-OG 2.99Å; D89-S95 PolarHBondContact O-OG 3.43Å; N92-S95 WeakPolarHBondContact O-CB 3.37Å; N92-S95 PolarHBondContact O-N 2.91Å; N92-S95 PolarHBondContact O-OG 3.04Å; N92-S95 PolarHBondContact OD1-N 3.33Å; Q93-S95 VanDerWaalsContact C-N 3.25Å; Q93-S95 PolarHBondContact O-N 3.29Å; S95-A99 WeakPolarHBondContact O-CB 3.4Å; S95-A99 PolarHBondContact O-N 2.94Å
96F98.8Very high97.4Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-70.9-43.6173.8-177.9-131.4000111.6Y88 N92 Q93 N94 R98 A99 K100 L118 V131 E135 A136 Y139Y88-F96 AromaticContact CD1-CD2 3.81Å; Y88-F96 HydrophobicContact CD1-CD2 3.81Å; Y88-F96 HydrophobicContact CD1-CE2 4.44Å; Y88-F96 HydrophobicContact CD2-CB 3.83Å; Y88-F96 HydrophobicContact CD2-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CG 4.24Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.23Å; Y88-F96 HydrophobicContact CE2-CB 4.4Å; Y88-F96 HydrophobicContact CE2-CD2 4.16Å; Y88-F96 HydrophobicContact CE2-CG 4.43Å; Y88-F96 HydrophobicContact CG-CB 4.11Å; Y88-F96 AromaticContact CG-CD2 3.87Å; Y88-F96 HydrophobicContact CG-CD2 3.87Å; Y88-F96 HydrophobicContact CG-CG 4.42Å; N92-F96 PolarHBondContact O-N 2.84Å; Q93-F96 WeakPolarHBondContact O-CB 3.46Å; Q93-F96 PolarHBondContact O-N 2.92Å; N94-F96 PolarHBondContact O-N 2.84Å; F96-R98 VanDerWaalsContact C-N 3.27Å; F96-R98 PolarHBondContact O-N 3.46Å; F96-A99 WeakPolarHBondContact O-CA 3.43Å; F96-A99 WeakPolarHBondContact O-CB 3.44Å; F96-A99 PolarHBondContact O-N 3.37Å; F96-K100 HydrophobicContact CE1-CD 4.46Å; F96-K100 VanDerWaalsContact CE1-NZ 3.3Å; F96-K100 HydrophobicContact CE2-CG 4.42Å; F96-K100 HydrophobicContact CZ-CG 4.49Å; F96-K100 WeakPolarHBondContact O-CG 3.28Å; F96-K100 PolarHBondContact O-N 3.04Å; F96-L118 HydrophobicContact CE2-CD2 3.96Å; F96-V131 HydrophobicContact CB-CG1 4.32Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 3.61Å; F96-V131 HydrophobicContact CD1-CG2 4.28Å; F96-V131 HydrophobicContact CD2-CG1 4.45Å; F96-V131 HydrophobicContact CE1-CG1 3.94Å; F96-V131 HydrophobicContact CG-CG1 3.89Å; F96-V131 HydrophobicContact CG-CG2 4.21Å; F96-E135 HydrophobicContact CE1-CG 4.01Å; F96-E135 WeakPolarHBondContact CE1-OE1 3.31Å; F96-A136 HydrophobicContact CE2-CB 4.2Å; F96-A136 HydrophobicContact CZ-CB 4.1Å; F96-Y139 HydrophobicContact CE2-CD1 4.27Å; F96-Y139 HydrophobicContact CZ-CD1 4.25Å; F96-Y139 HydrophobicContact CZ-CG 4.16Å
97E98.6Very high97.1Very high80 Ų8036.3 Ų36.337%0.37418%0.179SC..Hα-helixtrans-60.2-37.7173.2-61.9-51.2136.100112.4Q93 N94 K100 S101Q93-E97 PolarHBondContact NE2-OE1 2.85Å; Q93-E97 PolarHBondContact O-N 3.05Å; Q93-E97 VanDerWaalsContact O-N 3.09Å; N94-E97 PolarHBondContact O-N 2.86Å; E97-K100 PolarHBondContact O-N 3.46Å; E97-K100 IonicContact OE1-NZ 2.78Å; E97-K100 PolarHBondContact OE1-NZ 3.28Å; E97-K100 IonicContact OE2-NZ 3.71Å; E97-K100 PolarHBondContact OE2-NZ 3.21Å; E97-S101 PolarHBondContact O-N 2.78Å; E97-S101 VanDerWaalsContact O-N 3.13Å; E97-S101 PolarHBondContact O-OG 3.42Å; E97-S101 VanDerWaalsContact O-OG 3.06Å
98R97.7Very high96.6Very high131 Ų13143.4 Ų43.449%0.49421%0.213SC..Hα-helixtrans-66.7-38.2171.9-67-54.7-165.8176.51.6112.4E14 N94 F96 S101 W102E14-R98 HydrophobicContact CB-CB 4.29Å; E14-R98 IonicContact OE1-NE 2.76Å; N94-R98 WeakPolarHBondContact O-CG 3.38Å; N94-R98 PolarHBondContact O-N 3.03Å; F96-R98 VanDerWaalsContact C-N 3.27Å; F96-R98 PolarHBondContact O-N 3.46Å; R98-S101 WeakPolarHBondContact O-CB 3.45Å; R98-S101 PolarHBondContact O-N 3.33Å; R98-W102 VanDerWaalsContact O-CD1 3.24Å; R98-W102 PolarHBondContact O-N 3.23Å
99A98.3Very high95.7Very high0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-61.7-42.7173.300000111.7V86 S95 F96 S101 W102 V103 L118V86-A99 HydrophobicContact CG1-CB 3.64Å; S95-A99 WeakPolarHBondContact O-CB 3.4Å; S95-A99 PolarHBondContact O-N 2.94Å; F96-A99 WeakPolarHBondContact O-CA 3.43Å; F96-A99 WeakPolarHBondContact O-CB 3.44Å; F96-A99 PolarHBondContact O-N 3.37Å; A99-S101 VanDerWaalsContact C-N 3.26Å; A99-S101 PolarHBondContact O-N 3.11Å; A99-W102 WeakPolarHBondContact O-CB 3.19Å; A99-W102 PolarHBondContact O-N 2.9Å; A99-W102 VanDerWaalsContact O-N 3.11Å; A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.25Å; A99-V103 PolarHBondContact O-N 2.87Å; A99-L118 HydrophobicContact CB-CD1 4.08Å
100K98.4Very high93.9Very high34 Ų3449.5 Ų49.515%0.14824%0.242CC..Hα-helixtrans-57.1-41.3173.6-61.4177.4-173.51620111.7F96 E97 V103 N104 E135 Y139F96-K100 HydrophobicContact CE1-CD 4.46Å; F96-K100 VanDerWaalsContact CE1-NZ 3.3Å; F96-K100 HydrophobicContact CE2-CG 4.42Å; F96-K100 HydrophobicContact CZ-CG 4.49Å; F96-K100 WeakPolarHBondContact O-CG 3.28Å; F96-K100 PolarHBondContact O-N 3.04Å; E97-K100 PolarHBondContact O-N 3.46Å; E97-K100 IonicContact OE1-NZ 2.78Å; E97-K100 PolarHBondContact OE1-NZ 3.28Å; E97-K100 IonicContact OE2-NZ 3.71Å; E97-K100 PolarHBondContact OE2-NZ 3.21Å; K100-V103 PolarHBondContact O-N 2.73Å; K100-N104 VanDerWaalsContact O-CG 3.25Å; K100-N104 PolarHBondContact O-N 2.94Å; K100-N104 PolarHBondContact O-OD1 3.44Å; K100-E135 IonicContact NZ-OE1 3.95Å; K100-E135 PolarHBondContact NZ-OE1 3.07Å; K100-Y139 WeakPolarHBondContact CA-OH 3.21Å; K100-Y139 HydrophobicContact CB-CE1 4.48Å; K100-Y139 HydrophobicContact CB-CE2 4.04Å; K100-Y139 HydrophobicContact CD-CD2 4.05Å; K100-Y139 HydrophobicContact CD-CE2 3.92Å; K100-Y139 HydrophobicContact CG-CD1 4.33Å; K100-Y139 HydrophobicContact CG-CD2 4.04Å; K100-Y139 HydrophobicContact CG-CE1 3.92Å; K100-Y139 HydrophobicContact CG-CE2 3.6Å; K100-Y139 HydrophobicContact CG-CG 4.4Å; K100-Y139 PolarHBondContact O-OH 3.42Å
101S96.1Very high91.9Very high66 Ų6657.2 Ų57.246%0.46228%0.284SS..Hα-helixtrans-63-41.5176.4-54.60000112.3E97 R98 A99 N104 E105E97-S101 PolarHBondContact O-N 2.78Å; E97-S101 VanDerWaalsContact O-N 3.13Å; E97-S101 PolarHBondContact O-OG 3.42Å; E97-S101 VanDerWaalsContact O-OG 3.06Å; R98-S101 WeakPolarHBondContact O-CB 3.45Å; R98-S101 PolarHBondContact O-N 3.33Å; A99-S101 VanDerWaalsContact C-N 3.26Å; A99-S101 PolarHBondContact O-N 3.11Å; S101-N104 PolarHBondContact O-N 3.45Å; S101-E105 PolarHBondContact O-N 2.84Å
102W95.3Very high89.7Confident25 Ų2558.6 Ų58.610%0.09529%0.292CS..Hα-helixtrans-64.7-40.6174.8-80.5117000113L12 H71 A74 V86 R98 A99 E105 L106L12-W102 HydrophobicContact CB-CD2 4.3Å; L12-W102 HydrophobicContact CB-CG 4.43Å; L12-W102 HydrophobicContact CD1-CE3 4.24Å; L12-W102 HydrophobicContact CD2-CE3 4.24Å; L12-W102 HydrophobicContact CD2-CH2 4.16Å; L12-W102 HydrophobicContact CD2-CZ3 4.03Å; H71-W102 AromaticContact CE1-CH2 3.33Å; H71-W102 WeakPolarHBondContact CE1-CH2 3.24Å; H71-W102 AromaticContact CE1-CZ2 3.78Å; H71-W102 AromaticContact CE1-CZ3 3.66Å; H71-W102 AromaticContact ND1-CH2 2.98Å; H71-W102 WeakPolarHBondContact ND1-CH2 3.33Å; H71-W102 AromaticContact ND1-CZ2 3.22Å; H71-W102 WeakPolarHBondContact ND1-CZ2 3.36Å; H71-W102 AromaticContact ND1-CZ3 3.81Å; A74-W102 HydrophobicContact CB-CH2 3.37Å; A74-W102 HydrophobicContact CB-CZ3 3.61Å; V86-W102 HydrophobicContact CG1-CB 3.77Å; V86-W102 HydrophobicContact CG2-CB 4.34Å; R98-W102 VanDerWaalsContact O-CD1 3.24Å; R98-W102 PolarHBondContact O-N 3.23Å; A99-W102 WeakPolarHBondContact O-CB 3.19Å; A99-W102 PolarHBondContact O-N 2.9Å; A99-W102 VanDerWaalsContact O-N 3.11Å; W102-E105 PolarHBondContact O-N 3.28Å; W102-L106 WeakPolarHBondContact O-CG 3.43Å; W102-L106 PolarHBondContact O-N 3.39Å
103V96.1Very high88.3Confident0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-60.2-49175.7174.40000110.3V86 A99 K100 E105 L106 Q107 Y139 L145V86-V103 HydrophobicContact CB-CG2 4.31Å; V86-V103 HydrophobicContact CG1-CG2 4.31Å; V86-V103 HydrophobicContact CG2-CG2 4.17Å; A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.25Å; A99-V103 PolarHBondContact O-N 2.87Å; K100-V103 PolarHBondContact O-N 2.73Å; V103-E105 VanDerWaalsContact C-N 3.32Å; V103-E105 PolarHBondContact O-N 3.29Å; V103-L106 PolarHBondContact O-N 3.42Å; V103-Q107 HydrophobicContact CG1-CG 4.4Å; V103-Q107 WeakPolarHBondContact O-CG 3.31Å; V103-Q107 PolarHBondContact O-N 3.18Å; V103-Y139 WeakPolarHBondContact CB-OH 3.44Å; V103-Y139 HydrophobicContact CG2-CE1 4.3Å; V103-L145 HydrophobicContact CG1-CD1 3.9Å; V103-L145 HydrophobicContact CG1-CD2 3.88Å; V103-L145 HydrophobicContact CG2-CD1 3.92Å
104N94.5Very high87.8Confident71 Ų7159.9 Ų59.938%0.3832%0.317SS..Hα-helixtrans-59.1-45.5178.1-65.6-12000111K100 S101 L106 Q107 E108K100-N104 VanDerWaalsContact O-CG 3.25Å; K100-N104 PolarHBondContact O-N 2.94Å; K100-N104 PolarHBondContact O-OD1 3.44Å; S101-N104 PolarHBondContact O-N 3.45Å; N104-L106 VanDerWaalsContact C-N 3.34Å; N104-L106 PolarHBondContact O-N 2.88Å; N104-Q107 PolarHBondContact O-N 3.25Å; N104-E108 WeakPolarHBondContact O-CB 3.41Å; N104-E108 WeakPolarHBondContact O-CG 3.47Å; N104-E108 PolarHBondContact O-N 2.99Å
105E92.3Very high87.7Confident21 Ų2156.5 Ų56.510%0.09830%0.299CS..Hα-helixtrans-59.3-44.4177.3-178.9176.4169.200112.2H71 Y78 S101 W102 V103 E108 K109H71-E105 IonicContact CE1-OE2 2.76Å; H71-E105 PolarHBondContact CE1-OE2 3.33Å; H71-E105 IonicContact NE2-OE2 3.41Å; Y78-E105 PolarHBondContact OH-OE1 3.44Å; S101-E105 PolarHBondContact O-N 2.84Å; W102-E105 PolarHBondContact O-N 3.28Å; V103-E105 VanDerWaalsContact C-N 3.32Å; V103-E105 PolarHBondContact O-N 3.29Å; E105-E108 PolarHBondContact O-N 3.46Å; E105-K109 VanDerWaalsContact CD-NZ 3.33Å; E105-K109 HydrophobicContact CG-CD 3.68Å; E105-K109 HydrophobicContact CG-CG 4.35Å; E105-K109 WeakPolarHBondContact O-CB 3.5Å; E105-K109 PolarHBondContact O-N 3.4Å; E105-K109 IonicContact OE1-NZ 3.05Å; E105-K109 PolarHBondContact OE1-NZ 3.1Å
106L93.1Very high87.6Confident6 Ų657.9 Ų57.93%0.03131%0.306CS..Hα-helixtrans-62.4-44.4177.2-74169.8000111.1L12 Y78 A84 V86 W102 V103 N104 E108 A110 I116L12-L106 HydrophobicContact CD1-CD1 3.89Å; L12-L106 HydrophobicContact CD1-CD2 3.83Å; L12-L106 HydrophobicContact CD1-CG 4.09Å; Y78-L106 HydrophobicContact CD1-CD2 4.04Å; Y78-L106 HydrophobicContact CD2-CD2 4.28Å; Y78-L106 HydrophobicContact CG-CD2 3.86Å; A84-L106 HydrophobicContact CB-CD1 3.68Å; A84-L106 HydrophobicContact CB-CD2 4.47Å; V86-L106 HydrophobicContact CG2-CD1 3.72Å; W102-L106 WeakPolarHBondContact O-CG 3.43Å; W102-L106 PolarHBondContact O-N 3.39Å; V103-L106 PolarHBondContact O-N 3.42Å; N104-L106 VanDerWaalsContact C-N 3.34Å; N104-L106 PolarHBondContact O-N 2.88Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 3.04Å; L106-A110 VanDerWaalsContact O-CA 3.3Å; L106-A110 WeakPolarHBondContact O-CA 3.29Å; L106-A110 WeakPolarHBondContact O-CB 3.32Å; L106-A110 PolarHBondContact O-N 3.35Å; L106-I116 HydrophobicContact CB-CD1 3.87Å; L106-I116 HydrophobicContact CD1-CD1 4.33Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å
107Q91.5Very high87.6Confident86 Ų8657.9 Ų57.940%0.40231%0.306SS..Hα-helixtrans-68.1-32.6-179.7-70.7176.6-17.800113V103 N104 I116 N143V103-Q107 HydrophobicContact CG1-CG 4.4Å; V103-Q107 WeakPolarHBondContact O-CG 3.31Å; V103-Q107 PolarHBondContact O-N 3.18Å; N104-Q107 PolarHBondContact O-N 3.25Å; Q107-I116 HydrophobicContact CG-CD1 3.98Å; Q107-N143 PolarHBondContact NE2-O 2.93Å
108E89Confident87.6Confident149 Ų14954 Ų5470%0.69629%0.288SS*.Hα-helixtrans-77.5-44.9177.4-74177.7-17800113N104 E105 L106N104-E108 WeakPolarHBondContact O-CB 3.41Å; N104-E108 WeakPolarHBondContact O-CG 3.47Å; N104-E108 PolarHBondContact O-N 2.99Å; E105-E108 PolarHBondContact O-N 3.46Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 3.04Å
109K79.4Confident87.7Confident115 Ų11547.8 Ų47.850%0.526%0.264SS..Hα-helixtrans-97.2-31.3-169.7-64.9-179.2-174.6171.40113.3Y78 E105 N111Y78-K109 HydrophobicContact CE2-CB 4.38Å; Y78-K109 WeakPolarHBondContact OH-CD 3.37Å; E105-K109 VanDerWaalsContact CD-NZ 3.33Å; E105-K109 HydrophobicContact CG-CD 3.68Å; E105-K109 HydrophobicContact CG-CG 4.35Å; E105-K109 WeakPolarHBondContact O-CB 3.5Å; E105-K109 PolarHBondContact O-N 3.4Å; E105-K109 IonicContact OE1-NZ 3.05Å; E105-K109 PolarHBondContact OE1-NZ 3.1Å; K109-N111 PolarHBondContact O-N 2.86Å; K109-N111 VanDerWaalsContact O-N 3.16Å
110A62.6Low87.7Confident21 Ų2147.8 Ų47.817%0.17426%0.264CS..  trans-78.999.5168.400000105.3L106 T112L106-A110 VanDerWaalsContact O-CA 3.3Å; L106-A110 WeakPolarHBondContact O-CA 3.29Å; L106-A110 WeakPolarHBondContact O-CB 3.32Å; L106-A110 PolarHBondContact O-N 3.35Å; A110-T112 WeakPolarHBondContact CB-OG1 3.41Å; A110-T112 PolarHBondContact O-N 2.99Å
111N55.6Low87.7Confident162 Ų16246.4 Ų46.487%0.86626%0.258SS*.  trans-59.823.7158-73.6-20.1000111.7K109K109-N111 PolarHBondContact O-N 2.86Å; K109-N111 VanDerWaalsContact O-N 3.16Å
112T54Low87.8Confident65 Ų6545.5 Ų45.540%0.39925%0.246SC..  trans-114113.6-156-45.80000106.3A110 G114A110-T112 WeakPolarHBondContact CB-OG1 3.41Å; A110-T112 PolarHBondContact O-N 2.99Å; T112-G114 PolarHBondContact O-N 2.75Å
113S67.8Low88Confident122 Ų12245.4 Ų45.485%0.85325%0.249SC*.  trans-66.140.4169.5-48.50000112.5
114G88.7Confident88.1Confident25 Ų2547.7 Ų47.726%0.25826%0.261SS..  trans-82161.7-179.800000111.8Q82 T112 I116Q82-G114 CarbonylContact O-C 3.56Å; Q82-G114 WeakPolarHBondContact O-CA 3.11Å; T112-G114 PolarHBondContact O-N 2.75Å; G114-I116 PolarHBondContact O-N 3.23Å
115V95.6Very high88.3Confident7 Ų746.9 Ų46.94%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-79.7119.1177.7179.60000109Q82 A83 A84 L146 I165 E168 L169Q82-V115 PolarHBondContact O-N 2.92Å; A83-V115 CarbonylContact C-O 3.55Å; A83-V115 WeakPolarHBondContact CA-O 3.37Å; A83-V115 HydrophobicContact CB-CB 4.35Å; A84-V115 PolarHBondContact N-O 2.79Å; V115-L146 HydrophobicContact CG1-CD1 3.54Å; V115-L146 HydrophobicContact CG1-CG 4.16Å; V115-I165 HydrophobicContact CG1-CG1 4.47Å; V115-I165 HydrophobicContact CG1-CG2 4.29Å; V115-E168 HydrophobicContact CB-CG 4.42Å; V115-E168 HydrophobicContact CG1-CB 4Å; V115-E168 HydrophobicContact CG1-CG 3.96Å; V115-E168 HydrophobicContact CG2-CB 3.79Å; V115-E168 HydrophobicContact CG2-CG 3.57Å; V115-L169 HydrophobicContact CB-CD2 4.44Å; V115-L169 HydrophobicContact CG2-CD2 3.84Å; V115-L169 HydrophobicContact CG2-CG 3.97Å
116I96.9Very high88.6Confident29 Ų2950.5 Ų50.515%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-104.4123.9172.2-54.2176.8000108.1V86 L106 Q107 G114 L145 L146V86-I116 HydrophobicContact CG2-CG2 4.28Å; L106-I116 HydrophobicContact CB-CD1 3.87Å; L106-I116 HydrophobicContact CD1-CD1 4.33Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å; Q107-I116 HydrophobicContact CG-CD1 3.98Å; G114-I116 PolarHBondContact O-N 3.23Å; I116-L145 HydrophobicContact CB-CD2 3.87Å; I116-L145 HydrophobicContact CG2-CD2 3.85Å; I116-L145 WeakPolarHBondContact O-CA 3.28Å; I116-L146 PolarHBondContact O-N 3.06Å
117A98.5Very high88.8Confident0 Ų054.3 Ų54.30%031%0.314CS..EExtended strand (participates in β ladder)trans-110.4133.5172.400000110.5A84 V85 V86 L146 L161 I165A84-A117 PolarHBondContact O-N 3.02Å; V85-A117 CarbonylContact C-O 3.59Å; V85-A117 WeakPolarHBondContact CA-O 3.45Å; V86-A117 PolarHBondContact N-O 2.91Å; A117-L146 CarbonylContact C-O 3.46Å; A117-L146 WeakPolarHBondContact CA-O 3.44Å; A117-L146 HydrophobicContact CB-CB 3.9Å; A117-L161 HydrophobicContact CB-CD1 3.9Å; A117-I165 HydrophobicContact CB-CD1 3.83Å; A117-I165 HydrophobicContact CB-CG1 3.99Å
118L98.8Very high89.1Confident0 Ų056.2 Ų56.20%032%0.323CS..EExtended strand (participates in β ladder)trans-95.4128.3168-179.270.8000108.9V86 Y88 F96 A99 Y139 A140 L145 L146 F147 M148V86-L118 WeakPolarHBondContact O-CA 3.45Å; Y88-L118 HydrophobicContact CD1-CD1 3.81Å; Y88-L118 HydrophobicContact CD1-CG 4.18Å; Y88-L118 HydrophobicContact CE1-CD1 4.09Å; Y88-L118 HydrophobicContact CE1-CD2 4.16Å; Y88-L118 HydrophobicContact CE1-CG 3.95Å; F96-L118 HydrophobicContact CE2-CD2 3.96Å; A99-L118 HydrophobicContact CB-CD1 4.08Å; L118-Y139 HydrophobicContact CD2-CD1 3.99Å; L118-Y139 HydrophobicContact CD2-CE1 4.49Å; L118-A140 HydrophobicContact CD2-CB 4.31Å; L118-L145 HydrophobicContact CB-CB 4.49Å; L118-L145 HydrophobicContact CB-CD1 4.06Å; L118-L146 PolarHBondContact N-O 3.22Å; L118-F147 HydrophobicContact CB-CD2 4.08Å; L118-F147 HydrophobicContact CD2-CD2 3.83Å; L118-F147 HydrophobicContact CD2-CE2 4.18Å; L118-F147 HydrophobicContact CG-CD2 3.96Å; L118-F147 HydrophobicContact CG-CE2 4.39Å; L118-F147 WeakPolarHBondContact O-CA 3.37Å; L118-F147 WeakPolarHBondContact O-CD2 3.39Å; L118-M148 PolarHBondContact O-N 3.44Å
119A98.9Very high89.6Confident0 Ų051.9 Ų51.90%030%0.3CS..EExtended strand (participates in β ladder)trans-122.3114.3179.700000111.4V85 V86 V87 Y88 N121 M148 L161V85-A119 HydrophobicContact CG1-CB 3.85Å; V86-A119 PolarHBondContact O-N 2.99Å; V87-A119 WeakPolarHBondContact CA-O 3.42Å; V87-A119 HydrophobicContact CG2-CB 4.38Å; Y88-A119 WeakPolarHBondContact CD1-O 3.36Å; Y88-A119 PolarHBondContact N-O 2.92Å; A119-N121 PolarHBondContact O-N 2.94Å; A119-M148 VanDerWaalsContact CA-O 3.32Å; A119-M148 WeakPolarHBondContact CA-O 3.48Å; A119-L161 HydrophobicContact CB-CD2 3.84Å
120G98.9Very high90.5Very high0 Ų048.9 Ų48.90%030%0.296CS..EExtended strand (participates in β ladder)trans-83.9101.8170.100000110.1M148 E149 T150G120-M148 PolarHBondContact N-O 3.04Å; G120-E149 CarbonylContact O-C 3.38Å; G120-E149 WeakPolarHBondContact O-CA 3.42Å; G120-E149 WeakPolarHBondContact O-CB 3.36Å; G120-T150 PolarHBondContact O-N 3.07Å
121N98.9Very high92.2Very high4 Ų447.9 Ų47.92%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-91.1163.1-176.2-171.839.1000112.2V17 I22 V87 Y88 I90 A119 T150 A152V17-N121 PolarHBondContact O-ND2 2.91Å; I22-N121 HydrophobicContact CD1-CB 4.04Å; V87-N121 HydrophobicContact CG1-CB 3.84Å; Y88-N121 PolarHBondContact O-N 3.24Å; I90-N121 WeakPolarHBondContact CG1-O 3.46Å; I90-N121 PolarHBondContact N-O 3.33Å; A119-N121 PolarHBondContact O-N 2.94Å; N121-T150 CarbonylContact C-O 3.48Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.29Å; N121-T150 PolarHBondContact OD1-O 3.39Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; N121-A152 PolarHBondContact OD1-N 3.49Å
122K98.5Very high94.2Very high47 Ų4742.2 Ų42.220%0.20426%0.261CS..  trans75.535.6177.7-45-169.5-165.3168.70114.9A16 D89 D124 L125 T150A16-K122 WeakPolarHBondContact O-CE 3.39Å; A16-K122 PolarHBondContact O-NZ 2.79Å; D89-K122 WeakPolarHBondContact OD1-CD 3.38Å; D89-K122 WeakPolarHBondContact OD2-CD 3.24Å; D89-K122 WeakPolarHBondContact OD2-CE 3.18Å; D89-K122 IonicContact OD2-NZ 3.36Å; D89-K122 PolarHBondContact OD2-NZ 2.89Å; K122-D124 WeakPolarHBondContact CA-OD1 3.11Å; K122-D124 PolarHBondContact O-N 3.15Å; K122-D124 VanDerWaalsContact O-N 3.07Å; K122-L125 HydrophobicContact CB-CD1 4.22Å; K122-L125 HydrophobicContact CB-CG 4.44Å; K122-L125 HydrophobicContact CD-CD1 4.17Å; K122-L125 WeakPolarHBondContact O-CB 3.14Å; K122-L125 PolarHBondContact O-N 3.14Å; K122-T150 PolarHBondContact N-O 3.44Å
123V98.6Very high96.4Very high24 Ų2443.2 Ų43.215%0.14526%0.26CS..G310 helixtrans-60.6-15.1172.5-60.40000114.4I90 L125 E126 E149 T150 T156I90-V123 HydrophobicContact CD1-CB 4.45Å; I90-V123 HydrophobicContact CD1-CG1 4.24Å; V123-L125 PolarHBondContact O-N 3.23Å; V123-E126 PolarHBondContact O-N 3.15Å; V123-E149 HydrophobicContact CG1-CB 3.46Å; V123-E149 VanDerWaalsContact CG1-CB 3.46Å; V123-E149 HydrophobicContact CG1-CG 4.37Å; V123-T150 PolarHBondContact N-O 3.32Å; V123-T156 HydrophobicContact CG2-CG2 4.1Å
124D98.6Very high97.8Very high48 Ų4843 Ų4326%0.25725%0.246SC..G310 helixtrans-63.3-15.8167.755.7-74.1000113.4K122 S151 K153 I154K122-D124 WeakPolarHBondContact CA-OD1 3.11Å; K122-D124 PolarHBondContact O-N 3.15Å; K122-D124 VanDerWaalsContact O-N 3.07Å; D124-S151 VanDerWaalsContact OD1-CB 3.31Å; D124-S151 WeakPolarHBondContact OD1-CB 3.41Å; D124-S151 PolarHBondContact OD1-OG 3.09Å; D124-K153 VanDerWaalsContact OD2-CD 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.42Å; D124-I154 HydrophobicContact CB-CD1 3.99Å; D124-I154 HydrophobicContact CB-CG1 4.07Å; D124-I154 HydrophobicContact CB-CG2 4.17Å
125L98.1Very high98.3Very high53 Ų5345 Ų4528%0.27725%0.248SC..G310 helixtrans-103.732.3176.1-56.6-179.8000112.4T91 K122 V123 G127 Q128T91-L125 HydrophobicContact CG2-CB 3.65Å; T91-L125 HydrophobicContact CG2-CD1 4.12Å; K122-L125 HydrophobicContact CB-CD1 4.22Å; K122-L125 HydrophobicContact CB-CG 4.44Å; K122-L125 HydrophobicContact CD-CD1 4.17Å; K122-L125 WeakPolarHBondContact O-CB 3.14Å; K122-L125 PolarHBondContact O-N 3.14Å; V123-L125 PolarHBondContact O-N 3.23Å; L125-G127 PolarHBondContact O-N 3.47Å; L125-Q128 WeakPolarHBondContact O-CA 3.28Å; L125-Q128 PolarHBondContact O-N 2.89Å
126E97.9Very high98.4Very high97 Ų9744.7 Ų44.745%0.45325%0.246SC..G310 helixtrans-47.2-38.8-177.9-170.259.5-150.100113.9V123 Q128 R129V123-E126 PolarHBondContact O-N 3.15Å; E126-Q128 PolarHBondContact O-N 3.06Å; E126-R129 VanDerWaalsContact CD-NE 3.34Å; E126-R129 VanDerWaalsContact O-CB 3.29Å; E126-R129 WeakPolarHBondContact O-CB 3.11Å; E126-R129 PolarHBondContact O-N 3.02Å; E126-R129 VanDerWaalsContact O-N 3.09Å; E126-R129 IonicContact OE1-CZ 3.54Å; E126-R129 IonicContact OE1-NE 2.75Å; E126-R129 PolarHBondContact OE1-NE 3.06Å; E126-R129 IonicContact OE1-NH2 3.49Å; E126-R129 PolarHBondContact OE1-NH2 3.45Å; E126-R129 IonicContact OE2-CZ 3.42Å; E126-R129 IonicContact OE2-NE 3.28Å; E126-R129 PolarHBondContact OE2-NE 3.13Å; E126-R129 IonicContact OE2-NH2 2.66Å; E126-R129 PolarHBondContact OE2-NH2 3.34Å
127G98Very high98.5Very high86 Ų8645.8 Ų45.889%0.88725%0.251SS*.G310 helixtrans-65.5-7.2177.400000115.5L125L125-G127 PolarHBondContact O-N 3.47Å
128Q98.3Very high98.5Very high127 Ų12752.5 Ų52.559%0.59328%0.282SS*.G310 helixtrans-116.712.3177.7-59176.541.800112.1T91 L125 E126 A130T91-Q128 WeakPolarHBondContact CA-O 3.35Å; T91-Q128 VanDerWaalsContact CB-O 3.29Å; T91-Q128 WeakPolarHBondContact CB-O 3.21Å; T91-Q128 HydrophobicContact CG2-CB 3.85Å; L125-Q128 WeakPolarHBondContact O-CA 3.28Å; L125-Q128 PolarHBondContact O-N 2.89Å; E126-Q128 PolarHBondContact O-N 3.06Å; Q128-A130 PolarHBondContact O-N 2.9Å
129R98.6Very high98.5Very high58 Ų5854 Ų5422%0.21929%0.288CS..  trans-54.7128.6-178.7179.3177.2-71.4-85.95.1111.4I90 E126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.44Å; E126-R129 VanDerWaalsContact CD-NE 3.34Å; E126-R129 VanDerWaalsContact O-CB 3.29Å; E126-R129 WeakPolarHBondContact O-CB 3.11Å; E126-R129 PolarHBondContact O-N 3.02Å; E126-R129 VanDerWaalsContact O-N 3.09Å; E126-R129 IonicContact OE1-CZ 3.54Å; E126-R129 IonicContact OE1-NE 2.75Å; E126-R129 PolarHBondContact OE1-NE 3.06Å; E126-R129 IonicContact OE1-NH2 3.49Å; E126-R129 PolarHBondContact OE1-NH2 3.45Å; E126-R129 IonicContact OE2-CZ 3.42Å; E126-R129 IonicContact OE2-NE 3.28Å; E126-R129 PolarHBondContact OE2-NE 3.13Å; E126-R129 IonicContact OE2-NH2 2.66Å; E126-R129 PolarHBondContact OE2-NH2 3.34Å; R129-V131 VanDerWaalsContact CD-O 3.24Å; R129-V131 WeakPolarHBondContact CD-O 3.21Å; R129-V131 WeakPolarHBondContact CG-O 3.37Å; R129-V131 PolarHBondContact NH1-O 3.45Å; R129-E149 IonicContact CZ-OE1 2.74Å; R129-E149 IonicContact CZ-OE2 3.31Å; R129-E149 IonicContact NH1-OE1 3.47Å; R129-E149 PolarHBondContact NH1-OE1 3.23Å; R129-E149 IonicContact NH1-OE2 3.43Å; R129-E149 IonicContact NH2-OE1 2.69Å; R129-E149 PolarHBondContact NH2-OE1 3.09Å; R129-E149 IonicContact NH2-OE2 3.67Å; R129-E149 PolarHBondContact NH2-OE2 3.34Å
130A98.5Very high98.5Very high51 Ų5154 Ų5442%0.42129%0.288SS..  trans-111.2-25.7173.900000112.2I90 Q93 Q128I90-A130 PolarHBondContact O-N 3.48Å; Q93-A130 PolarHBondContact OE1-O 2.59Å; Q128-A130 PolarHBondContact O-N 2.9Å
131V98.6Very high98.5Very high0 Ų058.7 Ų58.70%031%0.313CS..SBendtrans-108.6121.8177.8-175.40000108.4Y88 I90 F96 R129 A136Y88-V131 HydrophobicContact CD2-CG2 4.26Å; Y88-V131 HydrophobicContact CE2-CB 3.94Å; Y88-V131 HydrophobicContact CE2-CG1 3.81Å; Y88-V131 HydrophobicContact CE2-CG2 4.08Å; I90-V131 PolarHBondContact O-N 2.81Å; F96-V131 HydrophobicContact CB-CG1 4.32Å; F96-V131 HydrophobicContact CB-CG2 3.72Å; F96-V131 HydrophobicContact CD1-CG1 3.61Å; F96-V131 HydrophobicContact CD1-CG2 4.28Å; F96-V131 HydrophobicContact CD2-CG1 4.45Å; F96-V131 HydrophobicContact CE1-CG1 3.94Å; F96-V131 HydrophobicContact CG-CG1 3.89Å; F96-V131 HydrophobicContact CG-CG2 4.21Å; R129-V131 VanDerWaalsContact CD-O 3.24Å; R129-V131 WeakPolarHBondContact CD-O 3.21Å; R129-V131 WeakPolarHBondContact CG-O 3.37Å; R129-V131 PolarHBondContact NH1-O 3.45Å; V131-A136 HydrophobicContact CG1-CB 4.28Å
132S98.4Very high98.5Very high44 Ų4466.9 Ų66.931%0.30835%0.349SS..  trans-71.9152.4178.382.10000111.6E134 E135 A136S132-E134 WeakPolarHBondContact CB-OE2 3.48Å; S132-E134 PolarHBondContact O-N 2.91Å; S132-E134 PolarHBondContact OG-OE2 3.18Å; S132-E135 PolarHBondContact O-N 3.37Å; S132-E135 WeakPolarHBondContact OG-CB 3.43Å; S132-E135 PolarHBondContact OG-N 2.98Å; S132-A136 PolarHBondContact O-N 3.12Å
133F98.6Very high98.3Very high86 Ų8666.2 Ų66.238%0.37735%0.347SS..Hα-helixtrans-59.6-42.2174.3176.9-87.2000110.4A136 Q137 F147 E149F133-A136 PolarHBondContact O-N 2.87Å; F133-Q137 HydrophobicContact CD1-CB 4.39Å; F133-Q137 HydrophobicContact CE1-CB 4.04Å; F133-Q137 HydrophobicContact CE1-CG 4.26Å; F133-Q137 VanDerWaalsContact O-CB 3.29Å; F133-Q137 WeakPolarHBondContact O-CB 3.16Å; F133-Q137 PolarHBondContact O-N 2.93Å; F133-F147 AromaticContact CD2-CE1 3.97Å; F133-F147 HydrophobicContact CD2-CE1 3.97Å; F133-F147 HydrophobicContact CD2-CZ 4.37Å; F133-F147 HydrophobicContact CE2-CD1 4.43Å; F133-F147 AromaticContact CE2-CE1 3.62Å; F133-F147 HydrophobicContact CE2-CE1 3.62Å; F133-F147 HydrophobicContact CE2-CZ 4.36Å; F133-F147 HydrophobicContact CZ-CD1 4.49Å; F133-F147 AromaticContact CZ-CE1 3.97Å; F133-F147 HydrophobicContact CZ-CE1 3.97Å; F133-E149 HydrophobicContact CD2-CG 3.89Å; F133-E149 HydrophobicContact CE2-CG 4.22Å
134E98.5Very high98.2Very high118 Ų11876.4 Ų76.455%0.55138%0.383SS*.Hα-helixtrans-63.7-44.6-178.3-58.579.7-171.400111.8S132 A136 Q137 E138S132-E134 WeakPolarHBondContact CB-OE2 3.48Å; S132-E134 PolarHBondContact O-N 2.91Å; S132-E134 PolarHBondContact OG-OE2 3.18Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.22Å; E134-Q137 PolarHBondContact O-N 2.75Å; E134-E138 WeakPolarHBondContact O-CB 3.08Å; E134-E138 VanDerWaalsContact O-CG 3.31Å; E134-E138 WeakPolarHBondContact O-CG 3.43Å; E134-E138 PolarHBondContact O-N 2.82Å
135E98.5Very high98.1Very high66 Ų6674.7 Ų74.731%0.30837%0.374SS..Hα-helixtrans-60.2-44.4178.4-174.1-166164.300111Q93 F96 K100 S132 Y139Q93-E135 PolarHBondContact NE2-OE1 3.32Å; F96-E135 HydrophobicContact CE1-CG 4.01Å; F96-E135 WeakPolarHBondContact CE1-OE1 3.31Å; K100-E135 IonicContact NZ-OE1 3.95Å; K100-E135 PolarHBondContact NZ-OE1 3.07Å; S132-E135 PolarHBondContact O-N 3.37Å; S132-E135 WeakPolarHBondContact OG-CB 3.43Å; S132-E135 PolarHBondContact OG-N 2.98Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 PolarHBondContact O-N 2.8Å; E135-Y139 VanDerWaalsContact O-N 3.09Å
136A98.7Very high98.1Very high0 Ų074.4 Ų74.40%037%0.373CS..Hα-helixtrans-69.7-40.6179.800000112.7Y88 F96 V131 S132 F133 E134 Y139 A140 F147Y88-A136 HydrophobicContact CE1-CB 4.42Å; Y88-A136 WeakPolarHBondContact OH-CB 3.41Å; F96-A136 HydrophobicContact CE2-CB 4.2Å; F96-A136 HydrophobicContact CZ-CB 4.1Å; V131-A136 HydrophobicContact CG1-CB 4.28Å; S132-A136 PolarHBondContact O-N 3.12Å; F133-A136 PolarHBondContact O-N 2.87Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.22Å; A136-Y139 PolarHBondContact O-N 3.32Å; A136-A140 WeakPolarHBondContact O-CB 3.39Å; A136-A140 PolarHBondContact O-N 3.45Å; A136-F147 HydrophobicContact CB-CE1 4.21Å; A136-F147 HydrophobicContact CB-CE2 3.75Å; A136-F147 HydrophobicContact CB-CZ 3.47Å; A136-F147 VanDerWaalsContact CB-CZ 3.47Å
137Q98.7Very high98.2Very high53 Ų5371.1 Ų71.125%0.24836%0.357CS..Hα-helixtrans-64.4-48176-177.369.674.600111.3F133 E134 Y139 A140 D141 F147F133-Q137 HydrophobicContact CD1-CB 4.39Å; F133-Q137 HydrophobicContact CE1-CB 4.04Å; F133-Q137 HydrophobicContact CE1-CG 4.26Å; F133-Q137 VanDerWaalsContact O-CB 3.29Å; F133-Q137 WeakPolarHBondContact O-CB 3.16Å; F133-Q137 PolarHBondContact O-N 2.93Å; E134-Q137 PolarHBondContact O-N 2.75Å; Q137-Y139 VanDerWaalsContact C-N 3.29Å; Q137-Y139 PolarHBondContact O-N 2.83Å; Q137-A140 PolarHBondContact O-N 2.87Å; Q137-A140 VanDerWaalsContact O-N 3.11Å; Q137-D141 PolarHBondContact NE2-OD1 3.43Å; Q137-D141 WeakPolarHBondContact O-CB 3.44Å; Q137-D141 VanDerWaalsContact O-CG 3.26Å; Q137-D141 PolarHBondContact O-N 2.66Å; Q137-F147 HydrophobicContact CB-CD1 4.02Å; Q137-F147 HydrophobicContact CB-CE1 3.95Å; Q137-F147 HydrophobicContact CG-CD1 4.46Å
138E98.7Very high98.2Very high140 Ų14069.1 Ų69.165%0.65433%0.325SS*.Hα-helixtrans-58.9-42.2177.3-76.8-179.2-174.300111.4E134 K142E134-E138 WeakPolarHBondContact O-CB 3.08Å; E134-E138 VanDerWaalsContact O-CG 3.31Å; E134-E138 WeakPolarHBondContact O-CG 3.43Å; E134-E138 PolarHBondContact O-N 2.82Å; E138-K142 VanDerWaalsContact O-CB 3.24Å; E138-K142 WeakPolarHBondContact O-CB 3.41Å; E138-K142 PolarHBondContact O-N 3.24Å
139Y98.8Very high98.2Very high32 Ų3264 Ų6413%0.12530%0.301CS..Hα-helixtrans-62.9-44.9174.6176-94.3000111.7F96 K100 V103 L118 E135 A136 Q137 N143 L145F96-Y139 HydrophobicContact CE2-CD1 4.27Å; F96-Y139 HydrophobicContact CZ-CD1 4.25Å; F96-Y139 HydrophobicContact CZ-CG 4.16Å; K100-Y139 WeakPolarHBondContact CA-OH 3.21Å; K100-Y139 HydrophobicContact CB-CE1 4.48Å; K100-Y139 HydrophobicContact CB-CE2 4.04Å; K100-Y139 HydrophobicContact CD-CD2 4.05Å; K100-Y139 HydrophobicContact CD-CE2 3.92Å; K100-Y139 HydrophobicContact CG-CD1 4.33Å; K100-Y139 HydrophobicContact CG-CD2 4.04Å; K100-Y139 HydrophobicContact CG-CE1 3.92Å; K100-Y139 HydrophobicContact CG-CE2 3.6Å; K100-Y139 HydrophobicContact CG-CG 4.4Å; K100-Y139 PolarHBondContact O-OH 3.42Å; V103-Y139 WeakPolarHBondContact CB-OH 3.44Å; V103-Y139 HydrophobicContact CG2-CE1 4.3Å; L118-Y139 HydrophobicContact CD2-CD1 3.99Å; L118-Y139 HydrophobicContact CD2-CE1 4.49Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 PolarHBondContact O-N 2.8Å; E135-Y139 VanDerWaalsContact O-N 3.09Å; A136-Y139 PolarHBondContact O-N 3.32Å; Q137-Y139 VanDerWaalsContact C-N 3.29Å; Q137-Y139 PolarHBondContact O-N 2.83Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.3Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.4Å; Y139-N143 PolarHBondContact O-N 2.92Å; Y139-N143 VanDerWaalsContact O-N 3.14Å; Y139-N143 PolarHBondContact O-ND2 3.45Å; Y139-L145 HydrophobicContact CD1-CD1 4.37Å; Y139-L145 HydrophobicContact CE1-CD1 3.9Å
140A98.6Very high98.2Very high0 Ų061.3 Ų61.30%029%0.291CS..Hα-helixtrans-62.5-46.5178.900000112.3L118 A136 Q137 K142 N143 R144 L145 F147L118-A140 HydrophobicContact CD2-CB 4.31Å; A136-A140 WeakPolarHBondContact O-CB 3.39Å; A136-A140 PolarHBondContact O-N 3.45Å; Q137-A140 PolarHBondContact O-N 2.87Å; Q137-A140 VanDerWaalsContact O-N 3.11Å; A140-K142 PolarHBondContact O-N 2.97Å; A140-N143 CarbonylContact O-C 3.41Å; A140-N143 PolarHBondContact O-N 3.22Å; A140-N143 VanDerWaalsContact O-N 3.15Å; A140-R144 PolarHBondContact O-N 2.81Å; A140-L145 HydrophobicContact CB-CB 4.13Å; A140-L145 PolarHBondContact O-N 3.11Å; A140-F147 HydrophobicContact CB-CB 3.43Å; A140-F147 VanDerWaalsContact CB-CB 3.43Å; A140-F147 HydrophobicContact CB-CD2 4.49Å; A140-F147 HydrophobicContact CB-CG 3.97Å
141D98.3Very high98.2Very high99 Ų9958.9 Ų58.953%0.52927%0.271SS..Hα-helixtrans-61.4-46.5179.4-68.5-12.8000110.8Q137 N143 R144Q137-D141 PolarHBondContact NE2-OD1 3.43Å; Q137-D141 WeakPolarHBondContact O-CB 3.44Å; Q137-D141 VanDerWaalsContact O-CG 3.26Å; Q137-D141 PolarHBondContact O-N 2.66Å; D141-N143 PolarHBondContact O-N 2.7Å; D141-R144 PolarHBondContact O-N 2.86Å; D141-R144 VanDerWaalsContact O-N 3.15Å
142K97.9Very high98.2Very high176 Ų17658.9 Ų58.977%0.76527%0.271SS*.Hα-helixtrans-57.3-35.5176.8-179.5178.3176.8-1790112.4E138 A140E138-K142 VanDerWaalsContact O-CB 3.24Å; E138-K142 WeakPolarHBondContact O-CB 3.41Å; E138-K142 PolarHBondContact O-N 3.24Å; A140-K142 PolarHBondContact O-N 2.97Å
143N96.3Very high98.2Very high33 Ų3360.5 Ų60.518%0.17627%0.272CS..THydrogen-bonded Turntrans-100.67.2-177.4-66.7-78.1000113.5Q107 Y139 A140 D141 L145Q107-N143 PolarHBondContact NE2-O 2.93Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.3Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.4Å; Y139-N143 PolarHBondContact O-N 2.92Å; Y139-N143 VanDerWaalsContact O-N 3.14Å; Y139-N143 PolarHBondContact O-ND2 3.45Å; A140-N143 CarbonylContact O-C 3.41Å; A140-N143 PolarHBondContact O-N 3.22Å; A140-N143 VanDerWaalsContact O-N 3.15Å; D141-N143 PolarHBondContact O-N 2.7Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 HydrophobicContact CB-CD1 4.06Å; N143-L145 HydrophobicContact CB-CD2 4.1Å; N143-L145 HydrophobicContact CB-CG 3.81Å; N143-L145 WeakPolarHBondContact O-CD2 3.35Å; N143-L145 PolarHBondContact O-N 3.36Å
144R95.3Very high98.2Very high237 Ų23761.2 Ų61.289%0.89428%0.279SS*.THydrogen-bonded Turntrans54.445.9-179.7-54.3178.3-175172.91112.9A140 D141A140-R144 PolarHBondContact O-N 2.81Å; D141-R144 PolarHBondContact O-N 2.86Å; D141-R144 VanDerWaalsContact O-N 3.15Å
145L97.5Very high98.1Very high13 Ų1358.1 Ų58.17%0.06827%0.271CS..  trans-97.9146.2178-44.7178.6000109.4V103 I116 L118 Y139 A140 N143V103-L145 HydrophobicContact CG1-CD1 3.9Å; V103-L145 HydrophobicContact CG1-CD2 3.88Å; V103-L145 HydrophobicContact CG2-CD1 3.92Å; I116-L145 HydrophobicContact CB-CD2 3.87Å; I116-L145 HydrophobicContact CG2-CD2 3.85Å; I116-L145 WeakPolarHBondContact O-CA 3.28Å; L118-L145 HydrophobicContact CB-CB 4.49Å; L118-L145 HydrophobicContact CB-CD1 4.06Å; Y139-L145 HydrophobicContact CD1-CD1 4.37Å; Y139-L145 HydrophobicContact CE1-CD1 3.9Å; A140-L145 HydrophobicContact CB-CB 4.13Å; A140-L145 PolarHBondContact O-N 3.11Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 HydrophobicContact CB-CD1 4.06Å; N143-L145 HydrophobicContact CB-CD2 4.1Å; N143-L145 HydrophobicContact CB-CG 3.81Å; N143-L145 WeakPolarHBondContact O-CD2 3.35Å; N143-L145 PolarHBondContact O-N 3.36Å
146L97.9Very high98.1Very high47 Ų4757.3 Ų57.325%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-64.9136.4158-67.9178.4000107.8V115 I116 A117 L118 A164 I165 E168V115-L146 HydrophobicContact CG1-CD1 3.54Å; V115-L146 HydrophobicContact CG1-CG 4.16Å; I116-L146 PolarHBondContact O-N 3.06Å; A117-L146 CarbonylContact C-O 3.46Å; A117-L146 WeakPolarHBondContact CA-O 3.44Å; A117-L146 HydrophobicContact CB-CB 3.9Å; L118-L146 PolarHBondContact N-O 3.22Å; L146-A164 HydrophobicContact CD1-CB 4.33Å; L146-I165 HydrophobicContact CD1-CG1 3.98Å; L146-E168 HydrophobicContact CD1-CB 4.11Å; L146-E168 HydrophobicContact CD1-CG 4.49Å
147F98.7Very high98.1Very high28 Ų2860.1 Ų60.112%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-129.9137.4176.8174.5-115.6000111.4Y88 L118 F133 A136 Q137 A140 E149Y88-F147 HydrophobicContact CE1-CE2 4.13Å; L118-F147 HydrophobicContact CB-CD2 4.08Å; L118-F147 HydrophobicContact CD2-CD2 3.83Å; L118-F147 HydrophobicContact CD2-CE2 4.18Å; L118-F147 HydrophobicContact CG-CD2 3.96Å; L118-F147 HydrophobicContact CG-CE2 4.39Å; L118-F147 WeakPolarHBondContact O-CA 3.37Å; L118-F147 WeakPolarHBondContact O-CD2 3.39Å; F133-F147 AromaticContact CD2-CE1 3.97Å; F133-F147 HydrophobicContact CD2-CE1 3.97Å; F133-F147 HydrophobicContact CD2-CZ 4.37Å; F133-F147 HydrophobicContact CE2-CD1 4.43Å; F133-F147 AromaticContact CE2-CE1 3.62Å; F133-F147 HydrophobicContact CE2-CE1 3.62Å; F133-F147 HydrophobicContact CE2-CZ 4.36Å; F133-F147 HydrophobicContact CZ-CD1 4.49Å; F133-F147 AromaticContact CZ-CE1 3.97Å; F133-F147 HydrophobicContact CZ-CE1 3.97Å; A136-F147 HydrophobicContact CB-CE1 4.21Å; A136-F147 HydrophobicContact CB-CE2 3.75Å; A136-F147 HydrophobicContact CB-CZ 3.47Å; A136-F147 VanDerWaalsContact CB-CZ 3.47Å; Q137-F147 HydrophobicContact CB-CD1 4.02Å; Q137-F147 HydrophobicContact CB-CE1 3.95Å; Q137-F147 HydrophobicContact CG-CD1 4.46Å; A140-F147 HydrophobicContact CB-CB 3.43Å; A140-F147 VanDerWaalsContact CB-CB 3.43Å; A140-F147 HydrophobicContact CB-CD2 4.49Å; A140-F147 HydrophobicContact CB-CG 3.97Å; F147-E149 HydrophobicContact CE1-CG 4.35Å; F147-E149 HydrophobicContact CE2-CG 4.28Å; F147-E149 HydrophobicContact CZ-CG 3.68Å
148M98.7Very high98.1Very high43 Ų4357.6 Ų57.621%0.21227%0.274CS..EExtended strand (participates in β ladder)trans-156.4133.7175-163.8171.1-76.700109.4L118 A119 G120 N157 E160 L161L118-M148 PolarHBondContact O-N 3.44Å; A119-M148 VanDerWaalsContact CA-O 3.32Å; A119-M148 WeakPolarHBondContact CA-O 3.48Å; G120-M148 PolarHBondContact N-O 3.04Å; M148-N157 HydrophobicContact CG-CB 3.72Å; M148-N157 HydrophobicContact SD-CB 3.53Å; M148-N157 VanDerWaalsContact SD-CB 3.53Å; M148-E160 HydrophobicContact CE-CB 3.99Å; M148-E160 HydrophobicContact SD-CB 3.7Å; M148-L161 HydrophobicContact CB-CD1 4.19Å; M148-L161 HydrophobicContact SD-CB 3.94Å; M148-L161 PolarHBondContact SD-N 2.95Å; M148-L161 VanDerWaalsContact SD-N 3.4Å
149E98.8Very high98.1Very high21 Ų2153.8 Ų53.810%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-83.8142.7166.7-57.7-164.7142.500110.8G120 V123 R129 F133 F147 N157G120-E149 CarbonylContact O-C 3.38Å; G120-E149 WeakPolarHBondContact O-CA 3.42Å; G120-E149 WeakPolarHBondContact O-CB 3.36Å; V123-E149 HydrophobicContact CG1-CB 3.46Å; V123-E149 VanDerWaalsContact CG1-CB 3.46Å; V123-E149 HydrophobicContact CG1-CG 4.37Å; R129-E149 IonicContact CZ-OE1 2.74Å; R129-E149 IonicContact CZ-OE2 3.31Å; R129-E149 IonicContact NH1-OE1 3.47Å; R129-E149 PolarHBondContact NH1-OE1 3.23Å; R129-E149 IonicContact NH1-OE2 3.43Å; R129-E149 IonicContact NH2-OE1 2.69Å; R129-E149 PolarHBondContact NH2-OE1 3.09Å; R129-E149 IonicContact NH2-OE2 3.67Å; R129-E149 PolarHBondContact NH2-OE2 3.34Å; F133-E149 HydrophobicContact CD2-CG 3.89Å; F133-E149 HydrophobicContact CE2-CG 4.22Å; F147-E149 HydrophobicContact CE1-CG 4.35Å; F147-E149 HydrophobicContact CE2-CG 4.28Å; F147-E149 HydrophobicContact CZ-CG 3.68Å; E149-N157 WeakPolarHBondContact O-CB 3.32Å; E149-N157 PolarHBondContact O-ND2 3.04Å
150T98.9Very high98.1Very high0 Ų056.8 Ų56.80%028%0.277CS..EExtended strand (participates in β ladder)trans-135.3158.8-170.860.90000111.5G120 N121 K122 V123 T156 N157 L161G120-T150 PolarHBondContact O-N 3.07Å; N121-T150 CarbonylContact C-O 3.48Å; N121-T150 VanDerWaalsContact CA-O 3.27Å; N121-T150 WeakPolarHBondContact CA-O 3.29Å; N121-T150 PolarHBondContact OD1-O 3.39Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; K122-T150 PolarHBondContact N-O 3.44Å; V123-T150 PolarHBondContact N-O 3.32Å; T150-T156 CarbonylContact C-O 3.54Å; T150-T156 VanDerWaalsContact CA-O 3.28Å; T150-T156 WeakPolarHBondContact CA-O 3.27Å; T150-N157 HydrophobicContact CG2-CB 4Å; T150-L161 HydrophobicContact CG2-CB 4.44Å; T150-L161 HydrophobicContact CG2-CD2 4.06Å
151S98.7Very high98.1Very high0 Ų056.8 Ų56.80%028%0.277CS..  trans-133115.7160.4172.80000109.5D124 K153 I154 S155 T156D124-S151 VanDerWaalsContact OD1-CB 3.31Å; D124-S151 WeakPolarHBondContact OD1-CB 3.41Å; D124-S151 PolarHBondContact OD1-OG 3.09Å; S151-K153 PolarHBondContact O-N 3.41Å; S151-K153 PolarHBondContact OG-N 3.28Å; S151-K153 VanDerWaalsContact OG-N 3.12Å; S151-I154 WeakPolarHBondContact OG-CG1 3.43Å; S151-I154 PolarHBondContact OG-N 3.05Å; S151-I154 VanDerWaalsContact OG-N 3.12Å; S151-S155 CarbonylContact O-C 3.59Å; S151-S155 WeakPolarHBondContact O-CA 3.4Å; S151-S155 PolarHBondContact O-N 3.06Å; S151-T156 PolarHBondContact N-O 3.12Å; S151-T156 PolarHBondContact O-N 3.28Å
152A98.4Very high98.1Very high1 Ų152.1 Ų52.11%0.00825%0.252CS..THydrogen-bonded Turntrans-61.8-30.116800000112.5I22 R25 F31 N121I22-A152 HydrophobicContact CG1-CB 4.07Å; R25-A152 HydrophobicContact CB-CB 4.48Å; R25-A152 PolarHBondContact NE-O 2.76Å; R25-A152 PolarHBondContact NH2-O 3.07Å; F31-A152 HydrophobicContact CD2-CB 4.09Å; F31-A152 HydrophobicContact CE2-CB 4.34Å; N121-A152 PolarHBondContact OD1-N 3.49Å
153K98.3Very high98.1Very high77 Ų7745.3 Ų45.334%0.33523%0.226SC..THydrogen-bonded Turntrans-69.8-56.8-176.5-173.6169.7-172163.50111.4R25 F31 E33 D124 S151R25-K153 PolarHBondContact NH2-O 3.47Å; F31-K153 HydrophobicContact CD1-CB 4.35Å; F31-K153 HydrophobicContact CD1-CG 4.02Å; F31-K153 HydrophobicContact CD2-CB 4.16Å; F31-K153 HydrophobicContact CE1-CB 4.04Å; F31-K153 HydrophobicContact CE1-CD 4.01Å; F31-K153 HydrophobicContact CE1-CG 3.67Å; F31-K153 HydrophobicContact CE2-CB 3.83Å; F31-K153 HydrophobicContact CE2-CG 4.38Å; F31-K153 HydrophobicContact CG-CB 4.41Å; F31-K153 HydrophobicContact CZ-CB 3.76Å; F31-K153 HydrophobicContact CZ-CD 4.08Å; F31-K153 HydrophobicContact CZ-CG 3.86Å; E33-K153 VanDerWaalsContact CD-NZ 3.32Å; E33-K153 IonicContact OE1-NZ 3.62Å; E33-K153 PolarHBondContact OE1-NZ 2.87Å; E33-K153 WeakPolarHBondContact OE2-CE 3.45Å; E33-K153 IonicContact OE2-NZ 2.75Å; E33-K153 PolarHBondContact OE2-NZ 2.82Å; D124-K153 VanDerWaalsContact OD2-CD 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.42Å; S151-K153 PolarHBondContact O-N 3.41Å; S151-K153 PolarHBondContact OG-N 3.28Å; S151-K153 VanDerWaalsContact OG-N 3.12Å
154I97.8Very high98.2Very high102 Ų10245 Ų4552%0.52323%0.228SC..THydrogen-bonded Turntrans-98.29.2-177.265.2169.6000113.6D124 S151 T156D124-I154 HydrophobicContact CB-CD1 3.99Å; D124-I154 HydrophobicContact CB-CG1 4.07Å; D124-I154 HydrophobicContact CB-CG2 4.17Å; S151-I154 WeakPolarHBondContact OG-CG1 3.43Å; S151-I154 PolarHBondContact OG-N 3.05Å; S151-I154 VanDerWaalsContact OG-N 3.12Å; I154-T156 VanDerWaalsContact C-N 3.26Å; I154-T156 WeakPolarHBondContact CD1-OG1 3.43Å; I154-T156 WeakPolarHBondContact CG1-OG1 3.31Å; I154-T156 PolarHBondContact O-N 3.31Å
155S97.5Very high98.3Very high53 Ų5333.8 Ų33.837%0.37119%0.185SC..  trans66.216.6176.5-163.10000115.9S151 N157S151-S155 CarbonylContact O-C 3.59Å; S151-S155 WeakPolarHBondContact O-CA 3.4Å; S151-S155 PolarHBondContact O-N 3.06Å; S155-N157 PolarHBondContact O-N 2.76Å
156T98.6Very high98.3Very high48 Ų4833.1 Ų33.129%0.29418%0.182SC..THydrogen-bonded Turntrans-64125.4176.5-56.80000110.5V123 T150 S151 I154 V158V123-T156 HydrophobicContact CG2-CG2 4.1Å; T150-T156 CarbonylContact C-O 3.54Å; T150-T156 VanDerWaalsContact CA-O 3.28Å; T150-T156 WeakPolarHBondContact CA-O 3.27Å; S151-T156 PolarHBondContact N-O 3.12Å; S151-T156 PolarHBondContact O-N 3.28Å; I154-T156 VanDerWaalsContact C-N 3.26Å; I154-T156 WeakPolarHBondContact CD1-OG1 3.43Å; I154-T156 WeakPolarHBondContact CG1-OG1 3.31Å; I154-T156 PolarHBondContact O-N 3.31Å; T156-V158 PolarHBondContact O-N 2.55Å
157N98.5Very high98.2Very high59 Ų5937.6 Ų37.632%0.31620%0.196SC..THydrogen-bonded Turntrans61.87167.3-74.6-13.3000116.7M148 E149 T150 S155 E160 L161M148-N157 HydrophobicContact CG-CB 3.72Å; M148-N157 HydrophobicContact SD-CB 3.53Å; M148-N157 VanDerWaalsContact SD-CB 3.53Å; E149-N157 WeakPolarHBondContact O-CB 3.32Å; E149-N157 PolarHBondContact O-ND2 3.04Å; T150-N157 HydrophobicContact CG2-CB 4Å; S155-N157 PolarHBondContact O-N 2.76Å; N157-E160 WeakPolarHBondContact CA-OE2 3.29Å; N157-L161 VanDerWaalsContact O-CB 3.29Å; N157-L161 WeakPolarHBondContact O-CB 3.37Å; N157-L161 PolarHBondContact O-N 2.98Å
158V98.7Very high98Very high1 Ų139.6 Ų39.61%0.00621%0.205CC..Hα-helixtrans-68-47.9-179175.20000110.6I22 R25 L26 T156 E160 F162I22-V158 HydrophobicContact CG2-CG1 4.19Å; R25-V158 HydrophobicContact CB-CG1 4.33Å; R25-V158 HydrophobicContact CG-CB 4.14Å; R25-V158 HydrophobicContact CG-CG1 4Å; R25-V158 HydrophobicContact CG-CG2 3.97Å; L26-V158 HydrophobicContact CB-CG1 3.9Å; L26-V158 HydrophobicContact CD1-CG1 4.36Å; T156-V158 PolarHBondContact O-N 2.55Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.42Å
159S97.8Very high97.8Very high59 Ų5938.2 Ų38.241%0.41320%0.199SC..Hα-helixtrans-69.5-36.5179.5-65.80000111.7F162 T163S159-F162 PolarHBondContact O-N 3.07Å; S159-T163 VanDerWaalsContact O-CB 3.31Å; S159-T163 WeakPolarHBondContact O-CB 3.41Å; S159-T163 PolarHBondContact O-N 2.69Å; S159-T163 PolarHBondContact O-OG1 2.97Å
160E98.4Very high97.5Very high95 Ų9538.4 Ų38.444%0.44420%0.2SC..Hα-helixtrans-64.4-43.2-178.9-66.474.5-169.600111M148 N157 V158 T163 A164M148-E160 HydrophobicContact CE-CB 3.99Å; M148-E160 HydrophobicContact SD-CB 3.7Å; N157-E160 WeakPolarHBondContact CA-OE2 3.29Å; V158-E160 VanDerWaalsContact C-N 3.33Å; E160-T163 PolarHBondContact O-N 3.44Å; E160-A164 WeakPolarHBondContact O-CB 3.48Å; E160-A164 PolarHBondContact O-N 3.24Å
161L98.8Very high97Very high1 Ų141.6 Ų41.61%0.00522%0.223CC..Hα-helixtrans-57.1-51.9175.8173.761.7000111.5V85 A117 A119 M148 T150 N157 T163 A164 I165V85-L161 HydrophobicContact CG1-CD2 4.01Å; A117-L161 HydrophobicContact CB-CD1 3.9Å; A119-L161 HydrophobicContact CB-CD2 3.84Å; M148-L161 HydrophobicContact CB-CD1 4.19Å; M148-L161 HydrophobicContact SD-CB 3.94Å; M148-L161 PolarHBondContact SD-N 2.95Å; M148-L161 VanDerWaalsContact SD-N 3.4Å; T150-L161 HydrophobicContact CG2-CB 4.44Å; T150-L161 HydrophobicContact CG2-CD2 4.06Å; N157-L161 VanDerWaalsContact O-CB 3.29Å; N157-L161 WeakPolarHBondContact O-CB 3.37Å; N157-L161 PolarHBondContact O-N 2.98Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.12Å; L161-A164 PolarHBondContact O-N 2.75Å; L161-I165 HydrophobicContact CD1-CD1 4.18Å; L161-I165 HydrophobicContact CG-CD1 4.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.09Å
162F98.5Very high96Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-71.8-28.3-178.7-72.7-99.7000112.4L9 I11 I22 L26 F59 I61 V85 V158 S159 A166L9-F162 HydrophobicContact CD1-CD1 4.02Å; L9-F162 HydrophobicContact CD1-CE1 3.96Å; L9-F162 HydrophobicContact CD2-CE1 3.92Å; I11-F162 HydrophobicContact CD1-CE1 4.23Å; I11-F162 HydrophobicContact CD1-CZ 3.95Å; I22-F162 HydrophobicContact CG2-CE2 3.77Å; I22-F162 HydrophobicContact CG2-CZ 4.2Å; L26-F162 HydrophobicContact CD1-CB 4.19Å; L26-F162 HydrophobicContact CD1-CD2 4.01Å; L26-F162 HydrophobicContact CD1-CG 4.1Å; L26-F162 HydrophobicContact CD2-CB 4.29Å; L26-F162 HydrophobicContact CD2-CD1 3.49Å; L26-F162 VanDerWaalsContact CD2-CD1 3.49Å; L26-F162 HydrophobicContact CD2-CD2 3.72Å; L26-F162 HydrophobicContact CD2-CE1 3.58Å; L26-F162 HydrophobicContact CD2-CE2 3.81Å; L26-F162 HydrophobicContact CD2-CG 3.55Å; L26-F162 HydrophobicContact CD2-CZ 3.73Å; L26-F162 HydrophobicContact CG-CD2 4.37Å; L26-F162 HydrophobicContact CG-CG 4.45Å; F59-F162 HydrophobicContact CD2-CD1 4.25Å; F59-F162 HydrophobicContact CE2-CB 4.21Å; F59-F162 HydrophobicContact CE2-CD1 4.32Å; F59-F162 WeakPolarHBondContact CE2-O 3.24Å; I61-F162 HydrophobicContact CD1-CE1 4.26Å; V85-F162 HydrophobicContact CG2-CZ 4.46Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.42Å; S159-F162 PolarHBondContact O-N 3.07Å; F162-A166 WeakPolarHBondContact O-CB 3.03Å; F162-A166 PolarHBondContact O-N 3.31Å
163T98.1Very high94.3Very high34 Ų3450.2 Ų50.221%0.20927%0.273CS..Hα-helixtrans-66.5-42171-610000111.4L50 S159 E160 L161 A166 R167L50-T163 HydrophobicContact CD2-CG2 3.66Å; S159-T163 VanDerWaalsContact O-CB 3.31Å; S159-T163 WeakPolarHBondContact O-CB 3.41Å; S159-T163 PolarHBondContact O-N 2.69Å; S159-T163 PolarHBondContact O-OG1 2.97Å; E160-T163 PolarHBondContact O-N 3.44Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.12Å; T163-A166 PolarHBondContact O-N 2.97Å; T163-R167 WeakPolarHBondContact O-CG 3.29Å; T163-R167 PolarHBondContact O-N 2.88Å
164A98Very high92Very high27 Ų2752.4 Ų52.422%0.22329%0.285CS..Hα-helixtrans-63.2-44.9175.900000111.2L146 E160 L161 A166 R167 E168L146-A164 HydrophobicContact CD1-CB 4.33Å; E160-A164 WeakPolarHBondContact O-CB 3.48Å; E160-A164 PolarHBondContact O-N 3.24Å; L161-A164 PolarHBondContact O-N 2.75Å; A164-A166 VanDerWaalsContact C-N 3.34Å; A164-A166 PolarHBondContact O-N 2.82Å; A164-R167 PolarHBondContact O-N 2.86Å; A164-E168 PolarHBondContact O-N 3.43Å
165I97.6Very high89.5Confident0 Ų052.4 Ų52.40%029%0.291CS..Hα-helixtrans-59.9-44.4174.8-64.5164.5000111.1L9 F59 A83 V85 V115 A117 L146 L161 R167 E168 L169L9-I165 HydrophobicContact CD1-CD1 4.25Å; L9-I165 HydrophobicContact CD1-CG2 4.1Å; F59-I165 HydrophobicContact CE1-CG2 4.05Å; F59-I165 HydrophobicContact CZ-CB 4.29Å; F59-I165 HydrophobicContact CZ-CG2 3.9Å; A83-I165 HydrophobicContact CB-CG2 3.61Å; V85-I165 HydrophobicContact CG2-CD1 3.53Å; V115-I165 HydrophobicContact CG1-CG1 4.47Å; V115-I165 HydrophobicContact CG1-CG2 4.29Å; A117-I165 HydrophobicContact CB-CD1 3.83Å; A117-I165 HydrophobicContact CB-CG1 3.99Å; L146-I165 HydrophobicContact CD1-CG1 3.98Å; L161-I165 HydrophobicContact CD1-CD1 4.18Å; L161-I165 HydrophobicContact CG-CD1 4.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.09Å; I165-R167 VanDerWaalsContact C-N 3.31Å; I165-R167 PolarHBondContact O-N 3.35Å; I165-E168 PolarHBondContact O-N 3.36Å; I165-L169 HydrophobicContact CG2-CD1 3.98Å; I165-L169 HydrophobicContact CG2-CG 4.4Å; I165-L169 WeakPolarHBondContact O-CG 3.36Å; I165-L169 PolarHBondContact O-N 3.47Å
166A97.2Very high86.9Confident0 Ų055.2 Ų55.20%031%0.311CS..Hα-helixtrans-60.9-40.5178.600000111.9L50 V57 F59 F162 T163 A164 L170L50-A166 HydrophobicContact CD1-CB 4.19Å; V57-A166 HydrophobicContact CB-CB 4Å; V57-A166 HydrophobicContact CG1-CB 4.1Å; V57-A166 HydrophobicContact CG2-CB 4.01Å; F59-A166 HydrophobicContact CE2-CB 4.08Å; F59-A166 HydrophobicContact CZ-CB 3.86Å; F162-A166 WeakPolarHBondContact O-CB 3.03Å; F162-A166 PolarHBondContact O-N 3.31Å; T163-A166 PolarHBondContact O-N 2.97Å; A164-A166 VanDerWaalsContact C-N 3.34Å; A164-A166 PolarHBondContact O-N 2.82Å; A166-L170 VanDerWaalsContact O-CG 3.32Å; A166-L170 WeakPolarHBondContact O-CG 3.31Å; A166-L170 PolarHBondContact O-N 3.05Å
167R96.1Very high84.1Confident140 Ų14063.1 Ų63.153%0.52834%0.336SS..Hα-helixtrans-65.6-44176.1-74.9178.5173.3146-1.8112.1L50 T163 A164 I165 L169 L170 S171L50-R167 HydrophobicContact CD1-CG 3.96Å; L50-R167 HydrophobicContact CD2-CG 4.16Å; T163-R167 WeakPolarHBondContact O-CG 3.29Å; T163-R167 PolarHBondContact O-N 2.88Å; A164-R167 PolarHBondContact O-N 2.86Å; I165-R167 VanDerWaalsContact C-N 3.31Å; I165-R167 PolarHBondContact O-N 3.35Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 3.17Å; R167-L170 PolarHBondContact O-N 3.4Å; R167-L170 VanDerWaalsContact O-N 3.17Å; R167-S171 PolarHBondContact O-N 2.85Å
168E95.3Very high81.6Confident70 Ų7065.8 Ų65.833%0.32736%0.356SS..Hα-helixtrans-65.9-36.8179.9-163.865.5-168.400111.9V115 L146 A164 I165 L170 S171 H172V115-E168 HydrophobicContact CB-CG 4.42Å; V115-E168 HydrophobicContact CG1-CB 4Å; V115-E168 HydrophobicContact CG1-CG 3.96Å; V115-E168 HydrophobicContact CG2-CB 3.79Å; V115-E168 HydrophobicContact CG2-CG 3.57Å; L146-E168 HydrophobicContact CD1-CB 4.11Å; L146-E168 HydrophobicContact CD1-CG 4.49Å; A164-E168 PolarHBondContact O-N 3.43Å; I165-E168 PolarHBondContact O-N 3.36Å; E168-L170 VanDerWaalsContact C-N 3.28Å; E168-L170 PolarHBondContact O-N 3.04Å; E168-S171 PolarHBondContact O-N 3.22Å; E168-S171 PolarHBondContact O-OG 3.21Å; E168-H172 PolarHBondContact O-CD2 3.26Å; E168-H172 PolarHBondContact O-N 2.86Å; E168-H172 IonicContact OE1-CE1 3.58Å; E168-H172 IonicContact OE1-NE2 3.31Å; E168-H172 PolarHBondContact OE1-NE2 3.05Å
169L94.3Very high78.9Confident14 Ų1471.7 Ų71.77%0.07340%0.397CS..Hα-helixtrans-63-34.7173.7-74.9169.6000113H7 F59 Q82 A83 V115 I165 R167H7-L169 HydrophobicContact CB-CD1 3.91Å; F59-L169 HydrophobicContact CE1-CD1 3.62Å; F59-L169 HydrophobicContact CZ-CD1 4.2Å; Q82-L169 HydrophobicContact CB-CD2 3.89Å; Q82-L169 WeakPolarHBondContact O-CD2 3.29Å; A83-L169 HydrophobicContact CB-CD1 4.17Å; A83-L169 HydrophobicContact CB-CD2 4.44Å; V115-L169 HydrophobicContact CB-CD2 4.44Å; V115-L169 HydrophobicContact CG2-CD2 3.84Å; V115-L169 HydrophobicContact CG2-CG 3.97Å; I165-L169 HydrophobicContact CG2-CD1 3.98Å; I165-L169 HydrophobicContact CG2-CG 4.4Å; I165-L169 WeakPolarHBondContact O-CG 3.36Å; I165-L169 PolarHBondContact O-N 3.47Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 3.17Å
170L92.4Very high76Confident25 Ų2572.1 Ų72.113%0.13141%0.411CS..Hα-helixtrans-80-31.9178.9-65.5175.4000112.4L50 A55 V57 A166 R167 E168 H172 A173L50-L170 HydrophobicContact CD1-CD1 3.56Å; A55-L170 HydrophobicContact CB-CD1 3.53Å; V57-L170 HydrophobicContact CG2-CD1 3.94Å; V57-L170 HydrophobicContact CG2-CD2 4.2Å; V57-L170 HydrophobicContact CG2-CG 4.11Å; A166-L170 VanDerWaalsContact O-CG 3.32Å; A166-L170 WeakPolarHBondContact O-CG 3.31Å; A166-L170 PolarHBondContact O-N 3.05Å; R167-L170 PolarHBondContact O-N 3.4Å; R167-L170 VanDerWaalsContact O-N 3.17Å; E168-L170 VanDerWaalsContact C-N 3.28Å; E168-L170 PolarHBondContact O-N 3.04Å; L170-H172 VanDerWaalsContact C-N 3.31Å; L170-H172 PolarHBondContact O-N 3.26Å; L170-A173 PolarHBondContact O-N 2.82Å
171S88.5Confident73.2Confident67 Ų6771.2 Ų71.247%0.46943%0.428SS..Hα-helixtrans-66.7-34.1177.169.50000112R167 E168 A173R167-S171 PolarHBondContact O-N 2.85Å; E168-S171 PolarHBondContact O-N 3.22Å; E168-S171 PolarHBondContact O-OG 3.21Å; S171-A173 VanDerWaalsContact C-N 3.35Å
172H76.4Confident70.3Confident118 Ų11880 Ų8055%0.54647%0.469SS..THydrogen-bonded Turntrans-77-16.2175-66.6-45.7000114.5E168 L170E168-H172 PolarHBondContact O-CD2 3.26Å; E168-H172 PolarHBondContact O-N 2.86Å; E168-H172 IonicContact OE1-CE1 3.58Å; E168-H172 IonicContact OE1-NE2 3.31Å; E168-H172 PolarHBondContact OE1-NE2 3.05Å; L170-H172 VanDerWaalsContact C-N 3.31Å; L170-H172 PolarHBondContact O-N 3.26Å
173A63.3Low67.4Low64 Ų6488.4 Ų88.453%0.52951%0.508SS..THydrogen-bonded Turntrans-84.9-21-177.200000113.5L170 S171 P175L170-A173 PolarHBondContact O-N 2.82Å; S171-A173 VanDerWaalsContact C-N 3.35Å; A173-P175 VanDerWaalsContact O-CD 3.27Å; A173-P175 WeakPolarHBondContact O-CD 3.49Å
174E50.1Low64.6Low124 Ų12495.2 Ų95.258%0.57954%0.542SS*.SBendtrans-69.2115.8176-70.6-69.7130.600108.7S176E174-S176 PolarHBondContact O-N 3.09Å; E174-S176 VanDerWaalsContact O-N 3.13Å
175P45.5Very low62.1Low101 Ų10199.2 Ų99.266%0.65656%0.564SS**  trans-58.2126.4166.1-2.114.7000105.4A173 R177A173-P175 VanDerWaalsContact O-CD 3.27Å; A173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-R177 VanDerWaalsContact C-N 3.33Å; P175-R177 PolarHBondContact O-N 3.04Å
176S43.8Very low59.5Low113 Ų113104.8 Ų104.879%0.7960%0.6SS**  trans-41.2104.3167.438.90000107.4E174 P178E174-S176 PolarHBondContact O-N 3.09Å; E174-S176 VanDerWaalsContact O-N 3.13Å; S176-P178 WeakPolarHBondContact O-CD 3.37Å
177R39.4Very low57Low213 Ų213112.6 Ų112.680%0.80464%0.642SS**  trans-51.7114.7178.5-83.2179175.7179-1.2104.5P175 S179P175-R177 VanDerWaalsContact C-N 3.33Å; P175-R177 PolarHBondContact O-N 3.04Å; R177-S179 PolarHBondContact O-N 3.47Å
178P44.8Very low54.4Low116 Ų116112.6 Ų112.675%0.75365%0.653SS**  trans-61117.4170.823.4-26.6000103.7S176 G180S176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-G180 PolarHBondContact O-N 2.74Å
179S42.7Very low51.8Low124 Ų124114.8 Ų114.887%0.86768%0.675SS**  trans-52.791.3171-60.30000106.5R177 G181R177-S179 PolarHBondContact O-N 3.47Å; S179-G181 PolarHBondContact O-N 2.75Å
180G37.6Very low49.4Very low68 Ų68119.7 Ų119.770%0.70171%0.708SS**  trans-6898.4-170.800000107.3P178 Q182P178-G180 PolarHBondContact O-N 2.74Å; G180-Q182 PolarHBondContact O-N 3.28Å
181G38.8Very low46.9Very low77 Ų77124.2 Ų124.279%0.79474%0.737SS**  trans-52.9117.7162.500000108.6S179S179-G181 PolarHBondContact O-N 2.75Å
182Q38.5Very low44.7Very low186 Ų186129.5 Ų129.587%0.86975%0.754SS**  trans-150.590.9166.8-117175.436.600108.7G180G180-Q182 PolarHBondContact O-N 3.28Å
183Q37.7Very low43.1Very low175 Ų175132.5 Ų132.582%0.81877%0.768SS**  trans-160.775.1137.3-122.7171.4-21.600108.9
184L38.5Very low42.1Very low177 Ų177140 Ų14093%0.92778%0.783SS**  trans-95104.6154.8-69.2177.6000105.9
185T44.9Very low41.9Very low112 Ų112142.8 Ų142.869%0.68780%0.796SS**  trans-64.2137.3175.843.30000109.6N187T185-N187 PolarHBondContact O-N 3.31Å; T185-N187 VanDerWaalsContact O-N 3.16Å
186P43.4Very low41.5Very low116 Ų116144 Ų14475%0.75381%0.806SS**  trans-72.7111.3175.916.9-8000108.1
187N44.8Very low41.8Very low164 Ų164144 Ų14488%0.87780%0.804SS**  trans-95.191.5165.6-137.716.3000107.3T185 S189T185-N187 PolarHBondContact O-N 3.31Å; T185-N187 VanDerWaalsContact O-N 3.16Å; N187-S189 PolarHBondContact O-N 3.32Å
188D41.1Very low42.6Very low141 Ų141149.3 Ų149.375%0.75482%0.824SS**  trans-60.6125.2163.8-81.7-45.1000109.5
189S41.2Very low42.5Very low115 Ų115151 Ų15180%0.80483%0.828SS**  trans-169.4132.7138.8-79.50000110.6N187N187-S189 PolarHBondContact O-N 3.32Å
190P43.6Very low42.4Very low117 Ų117152.4 Ų152.476%0.7683%0.826SS**  trans-93.9174.4-168.236.8-34000113.7
191T40Very low42.7Very low121 Ų121157.1 Ų157.174%0.74283%0.833SS**  trans90.6101.1153.3-3.90000117.9
192Q42.9Very low42.9Very low177 Ų177161.8 Ų161.883%0.82784%0.835SS**  -160.1108.4125.5-111.9168.444.500111.4
193Q41.7Very low43.2Very low181 Ų181160.3 Ų160.385%0.84683%0.833SS**  trans-55.5129.4162.1-81.1167.3-33.700110.3
194R43.3Very low43.6Very low223 Ų223159.3 Ų159.384%0.84283%0.834SS**  trans-136.1100.4148.7-74.4-165.5176.7-165.8-0.6109.2
195Q45.1Very low44Very low181 Ų181158 Ų15885%0.84683%0.827SS**  trans-59.8127.4157.8-86.4166.4-30.800108.7
196C37.3Very low43.9Very low128 Ų128161.5 Ų161.587%0.86584%0.838SS**  trans-112.7105.6159.8-780000107.1
197C50Low43.9Very low112 Ų112165.3 Ų165.376%0.75785%0.845SS**  trans-72.7141.1170.9-56.60000110.4
198R56.2Low43.9Very low324 Ų324165.5 Ų165.5100%1.22384%0.842SS**  trans-121.40133.5-88.3-167.6179.2-171.71.2107.5

Retrieved 198 of 198 residues in 82.2 ms (Link to these results)

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