X5D907_HUMAN Loading...

Fragile X messenger ribonucleoprotein 1

AlphaFold DB , UniProt , Accession X5D907, Species HUMAN (Homo sapiens, Human), Gene FMR1, Length 594 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
1M48.8Very low87.4Confident158 Ų15867.7 Ų67.778%0.77836%0.355SS*.  0123.30177.1-177.6-78.900104.8E3 E144M1-E3 PolarHBondContact O-N 3.27Å; M1-E144 HydrophobicContact CE-CG 4.23Å; M1-E144 VanDerWaalsContact CE-OE1 3.22Å; M1-E144 WeakPolarHBondContact CE-OE1 3.49Å; M1-E144 WeakPolarHBondContact CE-OE2 3.33Å
2E67.8Low87.4Confident177 Ų17766.3 Ų66.383%0.82735%0.348SS*.  trans-78.1107.7-178.4-74159.8-154.200108.5
3E86.6Confident87.5Confident84 Ų8464.2 Ų64.239%0.39335%0.352SS..  trans-81.9147.8167.9-62-168.4129.500109.2M1 V5 F19 K21M1-E3 PolarHBondContact O-N 3.27Å; E3-V5 PolarHBondContact O-N 3.13Å; E3-F19 HydrophobicContact CB-CB 4.24Å; E3-F19 HydrophobicContact CB-CD1 3.71Å; E3-F19 HydrophobicContact CB-CE1 4.48Å; E3-F19 HydrophobicContact CB-CG 4.31Å; E3-K21 IonicContact OE1-NZ 3.33Å; E3-K21 PolarHBondContact OE1-NZ 2.91Å
4L95.3Very high87.9Confident29 Ų2959.6 Ų59.615%0.15233%0.327CS..  trans-77.8110.8179.5179.662.3000110.2F19 V20 F49 F126 F157 I173L4-F19 WeakPolarHBondContact O-CA 3.49Å; L4-V20 HydrophobicContact CB-CB 4.38Å; L4-V20 HydrophobicContact CB-CG2 4.32Å; L4-V20 HydrophobicContact CD2-CB 4.48Å; L4-V20 HydrophobicContact CD2-CG2 4.02Å; L4-V20 HydrophobicContact CG-CG2 4.13Å; L4-V20 PolarHBondContact O-N 3.18Å; L4-F49 HydrophobicContact CD1-CE1 4.35Å; L4-F49 HydrophobicContact CD2-CE1 4.36Å; L4-F126 HydrophobicContact CD2-CE1 3.93Å; L4-F157 HydrophobicContact CB-CB 4.14Å; L4-F157 HydrophobicContact CB-CD1 4.36Å; L4-F157 HydrophobicContact CB-CD2 3.6Å; L4-F157 HydrophobicContact CB-CE2 4Å; L4-F157 HydrophobicContact CB-CG 3.8Å; L4-F157 HydrophobicContact CD2-CD1 3.53Å; L4-F157 HydrophobicContact CD2-CD2 4.13Å; L4-F157 HydrophobicContact CD2-CE1 3.47Å; L4-F157 VanDerWaalsContact CD2-CE1 3.47Å; L4-F157 HydrophobicContact CD2-CE2 4.08Å; L4-F157 HydrophobicContact CD2-CG 3.87Å; L4-F157 HydrophobicContact CD2-CZ 3.75Å; L4-F157 HydrophobicContact CG-CG 4.41Å; L4-I173 HydrophobicContact CD2-CG2 3.65Å
5V97.1Very high88.4Confident49 Ų4957.2 Ų57.230%0.29731%0.312SS..EExtended strand (participates in β ladder)trans-77.8132.2177.1-175.30000110.7E3 K17 F19 P50E3-V5 PolarHBondContact O-N 3.13Å; V5-K17 HydrophobicContact CG1-CD 4.49Å; V5-K17 HydrophobicContact CG1-CG 3.94Å; V5-F19 HydrophobicContact CG2-CD1 3.97Å; V5-F19 HydrophobicContact CG2-CE1 3.74Å; V5-P50 HydrophobicContact CG1-CG 4.32Å; V5-P50 WeakPolarHBondContact O-CD 3.43Å
6V97.4Very high88.8Confident0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-132.1161.3171.6-68.70000110.4V8 A18 V20 I28 V30 V47 F49 F126V6-V8 HydrophobicContact CG2-CG1 4.1Å; V6-A18 HydrophobicContact CG2-CB 4.39Å; V6-A18 PolarHBondContact N-O 3.3Å; V6-A18 PolarHBondContact O-N 3.26Å; V6-A18 VanDerWaalsContact O-O 3.12Å; V6-V20 HydrophobicContact CB-CG2 4.41Å; V6-V20 HydrophobicContact CG1-CG2 3.62Å; V6-V20 HydrophobicContact CG2-CG2 3.85Å; V6-I28 HydrophobicContact CG2-CD1 4.49Å; V6-V30 HydrophobicContact CG2-CG1 4Å; V6-V47 HydrophobicContact CB-CG1 3.95Å; V6-V47 HydrophobicContact CG1-CG1 4.09Å; V6-V47 HydrophobicContact CG2-CG1 4.27Å; V6-F49 HydrophobicContact CG1-CD1 4.24Å; V6-F49 HydrophobicContact CG1-CE1 4.29Å; V6-F126 HydrophobicContact CG1-CZ 4.24Å
7E97.8Very high89.3Confident6 Ų656.4 Ų56.43%0.02830%0.301CS..EExtended strand (participates in β ladder)trans-105127.1167.7-67.8-176173.100109F15 Y16 V47 R48 P50 P51 R113 N116E7-F15 HydrophobicContact CB-CB 4.29Å; E7-F15 HydrophobicContact CB-CD1 4.1Å; E7-Y16 CarbonylContact C-O 3.58Å; E7-Y16 WeakPolarHBondContact CA-O 3.46Å; E7-V47 WeakPolarHBondContact O-CA 3.38Å; E7-R48 HydrophobicContact CB-CG 3.9Å; E7-R48 PolarHBondContact N-O 3.01Å; E7-R48 PolarHBondContact O-N 3.49Å; E7-R48 IonicContact OE2-CZ 2.69Å; E7-R48 VanDerWaalsContact OE2-CZ 3.24Å; E7-R48 IonicContact OE2-NE 3.83Å; E7-R48 PolarHBondContact OE2-NE 3.09Å; E7-R48 IonicContact OE2-NH2 2.72Å; E7-R48 PolarHBondContact OE2-NH2 3.2Å; E7-P50 HydrophobicContact CG-CB 4.34Å; E7-P51 WeakPolarHBondContact OE1-CD 3.48Å; E7-R113 IonicContact OE1-CZ 3.62Å; E7-R113 IonicContact OE1-NH1 3.74Å; E7-R113 PolarHBondContact OE1-NH1 3.47Å; E7-R113 IonicContact OE1-NH2 3.63Å; E7-R113 PolarHBondContact OE1-NH2 2.99Å; E7-R113 IonicContact OE2-NH2 2.68Å; E7-R113 PolarHBondContact OE2-NH2 2.92Å; E7-N116 PolarHBondContact OE2-ND2 3.02Å
8V97.2Very high89.7Confident3 Ų353.3 Ų53.32%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-117.4136-180-59.50000111.5V6 F15 Y16 A18 V30 F32 I42 D46 V47V6-V8 HydrophobicContact CG2-CG1 4.1Å; V8-F15 WeakPolarHBondContact O-CA 3.2Å; V8-Y16 PolarHBondContact N-O 3.01Å; V8-Y16 PolarHBondContact O-N 3.13Å; V8-A18 HydrophobicContact CG1-CB 4.25Å; V8-A18 HydrophobicContact CG2-CB 3.95Å; V8-V30 HydrophobicContact CG1-CG1 4.17Å; V8-V30 HydrophobicContact CG1-CG2 4.16Å; V8-V30 HydrophobicContact CG2-CG2 4.45Å; V8-F32 HydrophobicContact CG2-CE1 3.62Å; V8-F32 HydrophobicContact CG2-CZ 4.09Å; V8-I42 HydrophobicContact CB-CG2 4.38Å; V8-I42 HydrophobicContact CG1-CG1 4.48Å; V8-I42 HydrophobicContact CG1-CG2 4.42Å; V8-D46 CarbonylContact C-O 3.54Å; V8-D46 WeakPolarHBondContact CA-O 3.27Å; V8-V47 HydrophobicContact CG1-CG1 4.45Å; V8-V47 HydrophobicContact CG1-CG2 4.1Å
9R95.5Very high90.1Very high96 Ų9652.1 Ų52.136%0.36228%0.276SS..EExtended strand (participates in β ladder)trans-73.4125.3178.8-172.8-176.8-74.9134.3-8.1110.2A14 F15 H45 D46R9-A14 WeakPolarHBondContact CA-O 3.44Å; R9-F15 HydrophobicContact CB-CD1 4.28Å; R9-F15 HydrophobicContact CB-CE1 3.86Å; R9-F15 HydrophobicContact CB-CZ 4.15Å; R9-F15 HydrophobicContact CG-CZ 4.47Å; R9-H45 PolarHBondContact NH1-O 3.37Å; R9-D46 HydrophobicContact CB-CB 3.99Å; R9-D46 WeakPolarHBondContact CD-OD1 3.34Å; R9-D46 IonicContact CZ-OD1 2.69Å; R9-D46 PolarHBondContact N-O 3.36Å; R9-D46 IonicContact NE-OD1 2.89Å; R9-D46 IonicContact NH1-OD1 3.84Å; R9-D46 PolarHBondContact NH1-OD1 3.31Å
10G90.6Very high90.4Very high15 Ų1549.9 Ų49.916%0.15527%0.265CS..  trans-81.4169.1170.300000112.4N12 G13 A14G10-N12 PolarHBondContact O-N 3.36Å; G10-N12 VanDerWaalsContact O-N 3.15Å; G10-G13 PolarHBondContact O-N 3.13Å; G10-A14 PolarHBondContact N-O 2.77Å
11S87.8Confident90.6Very high128 Ų12851.8 Ų51.890%0.89527%0.271SS*.THydrogen-bonded Turntrans-64.8-15.6176.849.40000114.1
12N86.8Confident92.9Very high50 Ų5046.3 Ų46.327%0.26725%0.245SC..THydrogen-bonded Turntrans-88.93.4171.8582.1000113.5G10 A14 Y16 W80G10-N12 PolarHBondContact O-N 3.36Å; G10-N12 VanDerWaalsContact O-N 3.15Å; N12-A14 PolarHBondContact O-N 3.43Å; N12-A14 PolarHBondContact OD1-N 3.34Å; N12-Y16 PolarHBondContact ND2-OH 3.44Å; N12-W80 HydrophobicContact CB-CH2 3.9Å; N12-W80 HydrophobicContact CB-CZ3 4.32Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.28Å
13G88.5Confident94.3Very high39 Ų3938.1 Ų38.140%0.40221%0.207SC..SBendtrans80.5-10-178.700000115.4G10G10-G13 PolarHBondContact O-N 3.13Å
14A92.9Very high94.7Very high1 Ų136.9 Ų36.91%0.00820%0.201CC..  trans-75.6153.9177.400000112.1R9 G10 N12 Y16 C78 W79 W80R9-A14 WeakPolarHBondContact CA-O 3.44Å; G10-A14 PolarHBondContact N-O 2.77Å; N12-A14 PolarHBondContact O-N 3.43Å; N12-A14 PolarHBondContact OD1-N 3.34Å; A14-Y16 HydrophobicContact CB-CE2 4.2Å; A14-C78 HydrophobicContact CB-CB 4.47Å; A14-W79 WeakPolarHBondContact CA-O 3.45Å; A14-W80 HydrophobicContact CB-CD2 3.67Å; A14-W80 HydrophobicContact CB-CE3 3.93Å; A14-W80 HydrophobicContact CB-CG 4.18Å; A14-W80 HydrophobicContact CB-CH2 4.05Å; A14-W80 HydrophobicContact CB-CZ2 3.78Å; A14-W80 HydrophobicContact CB-CZ3 4.11Å
15F95.9Very high94.6Very high23 Ų2342.2 Ų42.210%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-100.7115.4-180-78.2-86.2000111.9E7 V8 R9 R48 C78 W79E7-F15 HydrophobicContact CB-CB 4.29Å; E7-F15 HydrophobicContact CB-CD1 4.1Å; V8-F15 WeakPolarHBondContact O-CA 3.2Å; R9-F15 HydrophobicContact CB-CD1 4.28Å; R9-F15 HydrophobicContact CB-CE1 3.86Å; R9-F15 HydrophobicContact CB-CZ 4.15Å; R9-F15 HydrophobicContact CG-CZ 4.47Å; F15-R48 HydrophobicContact CD1-CG 4.25Å; F15-R48 HydrophobicContact CE1-CG 4.04Å; F15-C78 WeakPolarHBondContact O-CB 3.38Å; F15-W79 HydrophobicContact CB-CB 4.33Å; F15-W79 PolarHBondContact N-O 3.41Å; F15-W79 PolarHBondContact O-N 2.85Å
16Y95.5Very high94.5Very high15 Ų1544.9 Ų44.96%0.05924%0.238CC..EExtended strand (participates in β ladder)trans-95.2143.4177.8-65.4-100.2000110.6E7 V8 N12 A14 W36 E75 P76 C78E7-Y16 CarbonylContact C-O 3.58Å; E7-Y16 WeakPolarHBondContact CA-O 3.46Å; V8-Y16 PolarHBondContact N-O 3.01Å; V8-Y16 PolarHBondContact O-N 3.13Å; N12-Y16 PolarHBondContact ND2-OH 3.44Å; A14-Y16 HydrophobicContact CB-CE2 4.2Å; Y16-W36 HydrophobicContact CD1-CH2 4.06Å; Y16-W36 AromaticContact CD1-CZ2 3.48Å; Y16-W36 HydrophobicContact CD1-CZ2 3.48Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.48Å; Y16-W36 AromaticContact CE1-CH2 3.7Å; Y16-W36 HydrophobicContact CE1-CH2 3.7Å; Y16-W36 AromaticContact CE1-CZ2 3.62Å; Y16-W36 HydrophobicContact CE1-CZ2 3.62Å; Y16-W36 HydrophobicContact CG-CZ2 4.29Å; Y16-E75 PolarHBondContact OH-OE2 3Å; Y16-P76 HydrophobicContact CD1-CG 4.38Å; Y16-C78 HydrophobicContact CD1-CB 3.58Å; Y16-C78 HydrophobicContact CD2-CB 4.14Å; Y16-C78 HydrophobicContact CE1-CB 3.69Å; Y16-C78 HydrophobicContact CE2-CB 4.2Å; Y16-C78 HydrophobicContact CG-CB 3.84Å; Y16-C78 VanDerWaalsContact CZ-SG 3.56Å
17K96Very high94.5Very high86 Ų8645.1 Ų45.137%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-73.7130.6171.9179.3-179.2160.2-154.30109.9V5 E33V5-K17 HydrophobicContact CG1-CD 4.49Å; V5-K17 HydrophobicContact CG1-CG 3.94Å; K17-E33 WeakPolarHBondContact CD-OE2 3.36Å; K17-E33 WeakPolarHBondContact CE-OE2 3.44Å; K17-E33 IonicContact NZ-OE1 2.67Å; K17-E33 PolarHBondContact NZ-OE1 3.2Å; K17-E33 IonicContact NZ-OE2 2.86Å; K17-E33 PolarHBondContact NZ-OE2 3.24Å
18A96.6Very high94.5Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-145.2168.5178.600000111.4V6 V8 V30 A31 F32V6-A18 HydrophobicContact CG2-CB 4.39Å; V6-A18 PolarHBondContact N-O 3.3Å; V6-A18 PolarHBondContact O-N 3.26Å; V6-A18 VanDerWaalsContact O-O 3.12Å; V8-A18 HydrophobicContact CG1-CB 4.25Å; V8-A18 HydrophobicContact CG2-CB 3.95Å; A18-V30 HydrophobicContact CB-CB 3.85Å; A18-V30 HydrophobicContact CB-CG1 4.47Å; A18-V30 HydrophobicContact CB-CG2 3.87Å; A18-A31 CarbonylContact C-O 3.53Å; A18-A31 WeakPolarHBondContact CA-O 3.47Å; A18-A31 WeakPolarHBondContact CB-O 3.42Å; A18-F32 HydrophobicContact CB-CD1 4.07Å; A18-F32 HydrophobicContact CB-CE1 4.22Å
19F97.3Very high94.6Very high30 Ų3046.1 Ų46.113%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-121.9129.5-176.7-55.9-86.4000110.1E3 L4 V5 K21 V30 A31 E33E3-F19 HydrophobicContact CB-CB 4.24Å; E3-F19 HydrophobicContact CB-CD1 3.71Å; E3-F19 HydrophobicContact CB-CE1 4.48Å; E3-F19 HydrophobicContact CB-CG 4.31Å; L4-F19 WeakPolarHBondContact O-CA 3.49Å; V5-F19 HydrophobicContact CG2-CD1 3.97Å; V5-F19 HydrophobicContact CG2-CE1 3.74Å; F19-K21 PolarHBondContact O-N 2.6Å; F19-V30 CarbonylContact O-C 3.55Å; F19-V30 VanDerWaalsContact O-CA 3.26Å; F19-V30 WeakPolarHBondContact O-CA 3.28Å; F19-A31 PolarHBondContact N-O 3.44Å; F19-A31 PolarHBondContact O-N 3.41Å; F19-E33 HydrophobicContact CE2-CB 4Å; F19-E33 HydrophobicContact CE2-CG 4.37Å
20V96.9Very high94.7Very high9 Ų941.5 Ų41.56%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-70.5119.2-179-172.10000110.4L4 V6 V23 I28 F126 F157L4-V20 HydrophobicContact CB-CB 4.38Å; L4-V20 HydrophobicContact CB-CG2 4.32Å; L4-V20 HydrophobicContact CD2-CB 4.48Å; L4-V20 HydrophobicContact CD2-CG2 4.02Å; L4-V20 HydrophobicContact CG-CG2 4.13Å; L4-V20 PolarHBondContact O-N 3.18Å; V6-V20 HydrophobicContact CB-CG2 4.41Å; V6-V20 HydrophobicContact CG1-CG2 3.62Å; V6-V20 HydrophobicContact CG2-CG2 3.85Å; V20-V23 HydrophobicContact CG1-CG2 4.31Å; V20-I28 HydrophobicContact CG1-CB 4.48Å; V20-I28 HydrophobicContact CG1-CD1 4.33Å; V20-I28 HydrophobicContact CG2-CD1 3.97Å; V20-F126 HydrophobicContact CG2-CE1 4.12Å; V20-F157 HydrophobicContact CB-CE2 4.03Å; V20-F157 HydrophobicContact CB-CZ 4.21Å; V20-F157 HydrophobicContact CG1-CE2 4.03Å; V20-F157 HydrophobicContact CG1-CZ 3.88Å
21K95.4Very high95Very high90 Ų9041 Ų4139%0.39122%0.222SC..EExtended strand (participates in β ladder)trans-101-40.5176.4-67.3-61.1-172.2-179.10112.7E3 F19 T29 A31 L171E3-K21 IonicContact OE1-NZ 3.33Å; E3-K21 PolarHBondContact OE1-NZ 2.91Å; F19-K21 PolarHBondContact O-N 2.6Å; K21-T29 HydrophobicContact CB-CG2 4.44Å; K21-T29 PolarHBondContact N-O 3.35Å; K21-A31 HydrophobicContact CD-CB 4.17Å; K21-A31 HydrophobicContact CG-CB 3.66Å; K21-L171 WeakPolarHBondContact O-CD1 3.49Å
22D96.1Very high95.3Very high42 Ų4235.2 Ų35.223%0.22518%0.181CC..EExtended strand (participates in β ladder)trans-148.5163.2178-16117.8000112.8H24 I28 T29 K128D22-H24 IonicContact OD2-CE1 3.89Å; D22-H24 PolarHBondContact OD2-CE1 3.27Å; D22-H24 VanDerWaalsContact OD2-CE1 3.27Å; D22-H24 IonicContact OD2-ND1 3.2Å; D22-I28 CarbonylContact O-C 3.15Å; D22-I28 WeakPolarHBondContact O-CA 3.34Å; D22-I28 WeakPolarHBondContact O-CB 3.24Å; D22-T29 PolarHBondContact N-O 3.27Å; D22-T29 PolarHBondContact O-N 2.95Å; D22-K128 VanDerWaalsContact OD1-CE 3.23Å; D22-K128 WeakPolarHBondContact OD1-CE 3.33Å; D22-K128 IonicContact OD1-NZ 2.74Å; D22-K128 PolarHBondContact OD1-NZ 3.18Å; D22-K128 IonicContact OD2-NZ 3.48Å; D22-K128 PolarHBondContact OD2-NZ 2.88Å
23V96.8Very high95.4Very high5 Ų536.2 Ų36.23%0.0318%0.184CC..EExtended strand (participates in β ladder)trans-125.3135.7-178.5177.30000109.7V20 I28 F126 K128 L171V20-V23 HydrophobicContact CG1-CG2 4.31Å; V23-I28 HydrophobicContact CB-CG2 4.46Å; V23-I28 HydrophobicContact CG1-CG2 4.43Å; V23-I28 HydrophobicContact CG2-CG2 4.11Å; V23-F126 HydrophobicContact CB-CB 4.46Å; V23-F126 HydrophobicContact CG1-CB 3.66Å; V23-F126 HydrophobicContact CG2-CB 3.88Å; V23-F126 HydrophobicContact CG2-CD1 4.48Å; V23-F126 HydrophobicContact CG2-CG 4.4Å; V23-K128 HydrophobicContact CB-CB 4.2Å; V23-K128 HydrophobicContact CB-CD 4.37Å; V23-K128 HydrophobicContact CG1-CB 4.38Å; V23-K128 WeakPolarHBondContact O-CD 3.48Å; V23-K128 PolarHBondContact O-NZ 2.77Å; V23-L171 HydrophobicContact CB-CD2 4.23Å; V23-L171 HydrophobicContact CG2-CD2 4.1Å
24H96.1Very high95.4Very high58 Ų5841.7 Ų41.727%0.26921%0.205SC..  trans-121.4-171.3178.7-51.4-63.4000110.3D22 S27 T29D22-H24 IonicContact OD2-CE1 3.89Å; D22-H24 PolarHBondContact OD2-CE1 3.27Å; D22-H24 VanDerWaalsContact OD2-CE1 3.27Å; D22-H24 IonicContact OD2-ND1 3.2Å; H24-S27 CarbonylContact C-O 3.56Å; H24-S27 WeakPolarHBondContact CA-O 3.27Å; H24-S27 WeakPolarHBondContact CB-O 3.49Å; H24-S27 PolarHBondContact N-O 2.85Å; H24-T29 PolarHBondContact NE2-OG1 2.58Å
25E93.3Very high95.2Very high141 Ų14147.6 Ų47.666%0.65924%0.236SC*.SBendtrans-75.7-30.7-175.1-176.1165.6-169.100114.1F44 K123E25-F44 WeakPolarHBondContact O-CE2 3.48Å; E25-K123 VanDerWaalsContact O-CE 3.3Å; E25-K123 WeakPolarHBondContact O-CE 3.37Å; E25-K123 IonicContact OE1-NZ 2.75Å; E25-K123 PolarHBondContact OE1-NZ 2.9Å
26D95.1Very high95Very high105 Ų10549.8 Ų49.856%0.56124%0.244SC*.SBendtrans-126-3-173.964.7-10.5000113.7F44D26-F44 VanDerWaalsContact C-CD2 3.41Å; D26-F44 VanDerWaalsContact CA-CE2 3.42Å; D26-F44 VanDerWaalsContact O-CD2 3.24Å; D26-F44 WeakPolarHBondContact O-CD2 3.41Å; D26-F44 PolarHBondContact O-N 3.23Å
27S97.4Very high94.7Very high5 Ų551.7 Ų51.74%0.03525%0.253CS..EExtended strand (participates in β ladder)trans-161.4171.4-163.4530000112H24 Q41 I42H24-S27 CarbonylContact C-O 3.56Å; H24-S27 WeakPolarHBondContact CA-O 3.27Å; H24-S27 WeakPolarHBondContact CB-O 3.49Å; H24-S27 PolarHBondContact N-O 2.85Å; S27-Q41 WeakPolarHBondContact OG-CG 3.41Å; S27-Q41 PolarHBondContact OG-NE2 2.79Å; S27-I42 CarbonylContact C-O 3.6Å; S27-I42 VanDerWaalsContact CA-O 3.27Å; S27-I42 WeakPolarHBondContact CA-O 3.38Å; S27-I42 VanDerWaalsContact CB-O 3.23Å; S27-I42 WeakPolarHBondContact CB-O 3.45Å
28I97.9Very high94.7Very high0 Ų052.4 Ų52.40%027%0.266CS..EExtended strand (participates in β ladder)trans-128151.1171.459.1168.7000110.6V6 V20 D22 V23 V30 Q41 I42 F44 V47 F126V6-I28 HydrophobicContact CG2-CD1 4.49Å; V20-I28 HydrophobicContact CG1-CB 4.48Å; V20-I28 HydrophobicContact CG1-CD1 4.33Å; V20-I28 HydrophobicContact CG2-CD1 3.97Å; D22-I28 CarbonylContact O-C 3.15Å; D22-I28 WeakPolarHBondContact O-CA 3.34Å; D22-I28 WeakPolarHBondContact O-CB 3.24Å; V23-I28 HydrophobicContact CB-CG2 4.46Å; V23-I28 HydrophobicContact CG1-CG2 4.43Å; V23-I28 HydrophobicContact CG2-CG2 4.11Å; I28-V30 HydrophobicContact CD1-CG1 3.51Å; I28-V30 HydrophobicContact CG1-CG1 3.88Å; I28-Q41 CarbonylContact O-C 3.54Å; I28-Q41 VanDerWaalsContact O-CA 3.31Å; I28-Q41 WeakPolarHBondContact O-CA 3.44Å; I28-I42 PolarHBondContact N-O 3.4Å; I28-I42 PolarHBondContact O-N 2.84Å; I28-F44 HydrophobicContact CG2-CD1 4.25Å; I28-F44 HydrophobicContact CG2-CE1 3.76Å; I28-V47 HydrophobicContact CD1-CB 4.4Å; I28-V47 HydrophobicContact CD1-CG1 3.76Å; I28-V47 HydrophobicContact CD1-CG2 3.85Å; I28-V47 HydrophobicContact CG1-CG2 3.94Å; I28-F126 HydrophobicContact CD1-CE2 4.2Å; I28-F126 HydrophobicContact CD1-CZ 4.1Å; I28-F126 HydrophobicContact CG2-CB 4.47Å; I28-F126 HydrophobicContact CG2-CD2 3.75Å; I28-F126 HydrophobicContact CG2-CE2 4.05Å; I28-F126 HydrophobicContact CG2-CG 4.03Å
29T97.9Very high94.7Very high30 Ų3056.3 Ų56.318%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-88.2127.3164.2-60.30000109.1K21 D22 H24 D39 R40K21-T29 HydrophobicContact CB-CG2 4.44Å; K21-T29 PolarHBondContact N-O 3.35Å; D22-T29 PolarHBondContact N-O 3.27Å; D22-T29 PolarHBondContact O-N 2.95Å; H24-T29 PolarHBondContact NE2-OG1 2.58Å; T29-D39 HydrophobicContact CG2-CB 4.02Å; T29-R40 WeakPolarHBondContact CA-O 3.38Å
30V97.3Very high94.6Very high0 Ų060 Ų600%030%0.3CS..EExtended strand (participates in β ladder)trans-118.7144.4174-57.30000111.5V6 V8 A18 F19 I28 F32 D39 R40 I42V6-V30 HydrophobicContact CG2-CG1 4Å; V8-V30 HydrophobicContact CG1-CG1 4.17Å; V8-V30 HydrophobicContact CG1-CG2 4.16Å; V8-V30 HydrophobicContact CG2-CG2 4.45Å; A18-V30 HydrophobicContact CB-CB 3.85Å; A18-V30 HydrophobicContact CB-CG1 4.47Å; A18-V30 HydrophobicContact CB-CG2 3.87Å; F19-V30 CarbonylContact O-C 3.55Å; F19-V30 VanDerWaalsContact O-CA 3.26Å; F19-V30 WeakPolarHBondContact O-CA 3.28Å; I28-V30 HydrophobicContact CD1-CG1 3.51Å; I28-V30 HydrophobicContact CG1-CG1 3.88Å; V30-F32 HydrophobicContact CG2-CE2 4.43Å; V30-F32 HydrophobicContact CG2-CZ 4.26Å; V30-D39 VanDerWaalsContact O-CA 3.25Å; V30-D39 WeakPolarHBondContact O-CA 3.33Å; V30-R40 PolarHBondContact N-O 2.9Å; V30-R40 PolarHBondContact O-N 3.3Å; V30-I42 HydrophobicContact CG2-CG1 3.86Å
31A96.8Very high94.7Very high3 Ų365.1 Ų65.13%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-99.6146.7165.900000110A18 F19 K21 D39A18-A31 CarbonylContact C-O 3.53Å; A18-A31 WeakPolarHBondContact CA-O 3.47Å; A18-A31 WeakPolarHBondContact CB-O 3.42Å; F19-A31 PolarHBondContact N-O 3.44Å; F19-A31 PolarHBondContact O-N 3.41Å; K21-A31 HydrophobicContact CD-CB 4.17Å; K21-A31 HydrophobicContact CG-CB 3.66Å; A31-D39 WeakPolarHBondContact CA-OD1 3.42Å; A31-D39 WeakPolarHBondContact CB-OD1 3.46Å
32F94.3Very high94.8Very high7 Ų761.2 Ų61.23%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-97153.6179-65-85.4000112.6V8 A18 V30 N34 N35 W36 Q37 R40V8-F32 HydrophobicContact CG2-CE1 3.62Å; V8-F32 HydrophobicContact CG2-CZ 4.09Å; A18-F32 HydrophobicContact CB-CD1 4.07Å; A18-F32 HydrophobicContact CB-CE1 4.22Å; V30-F32 HydrophobicContact CG2-CE2 4.43Å; V30-F32 HydrophobicContact CG2-CZ 4.26Å; F32-N34 PolarHBondContact O-N 3.46Å; F32-N35 PolarHBondContact O-N 3.13Å; F32-W36 HydrophobicContact CD1-CZ2 4.38Å; F32-W36 AromaticContact CD1-NE1 3.77Å; F32-W36 AromaticContact CG-NE1 3.77Å; F32-Q37 HydrophobicContact CD2-CB 3.72Å; F32-Q37 HydrophobicContact CE2-CB 4.12Å; F32-Q37 HydrophobicContact CG-CB 4.28Å; F32-R40 HydrophobicContact CE2-CB 4.18Å; F32-R40 HydrophobicContact CE2-CG 4.18Å
33E90.1Very high94.8Very high71 Ų7161.3 Ų61.333%0.33231%0.31SS..G310 helixtrans-58.3130.9-179.2-170.8153.1-132.500112.1K17 F19 N35 W36K17-E33 WeakPolarHBondContact CD-OE2 3.36Å; K17-E33 WeakPolarHBondContact CE-OE2 3.44Å; K17-E33 IonicContact NZ-OE1 2.67Å; K17-E33 PolarHBondContact NZ-OE1 3.2Å; K17-E33 IonicContact NZ-OE2 2.86Å; K17-E33 PolarHBondContact NZ-OE2 3.24Å; F19-E33 HydrophobicContact CE2-CB 4Å; F19-E33 HydrophobicContact CE2-CG 4.37Å; E33-N35 PolarHBondContact O-N 2.95Å; E33-N35 VanDerWaalsContact O-N 3.14Å; E33-W36 VanDerWaalsContact O-CD1 3.3Å
34N87.9Confident94.9Very high155 Ų15561.8 Ų61.883%0.82931%0.312SS*.G310 helixtrans58.316.3-173.6-49.5-41.2000115.3F32 W36F32-N34 PolarHBondContact O-N 3.46Å; N34-W36 PolarHBondContact O-N 3.25Å
35N89.5Confident94.9Very high124 Ų12464.7 Ų64.766%0.66333%0.325SS*.G310 helixtrans53.833.7-178.7-55.3-18.7000113.9F32 E33 Q37F32-N35 PolarHBondContact O-N 3.13Å; E33-N35 PolarHBondContact O-N 2.95Å; E33-N35 VanDerWaalsContact O-N 3.14Å; N35-Q37 CarbonylContact C-O 3.47Å; N35-Q37 PolarHBondContact O-N 2.95Å
36W90.4Very high95.1Very high69 Ų6959.8 Ų59.826%0.26130%0.304SS..SBendtrans-62.8-23.7179.278.6-85.7000113.3Y16 F32 E33 N34 E75 P76Y16-W36 HydrophobicContact CD1-CH2 4.06Å; Y16-W36 AromaticContact CD1-CZ2 3.48Å; Y16-W36 HydrophobicContact CD1-CZ2 3.48Å; Y16-W36 VanDerWaalsContact CD1-CZ2 3.48Å; Y16-W36 AromaticContact CE1-CH2 3.7Å; Y16-W36 HydrophobicContact CE1-CH2 3.7Å; Y16-W36 AromaticContact CE1-CZ2 3.62Å; Y16-W36 HydrophobicContact CE1-CZ2 3.62Å; Y16-W36 HydrophobicContact CG-CZ2 4.29Å; F32-W36 HydrophobicContact CD1-CZ2 4.38Å; F32-W36 AromaticContact CD1-NE1 3.77Å; F32-W36 AromaticContact CG-NE1 3.77Å; E33-W36 VanDerWaalsContact O-CD1 3.3Å; N34-W36 PolarHBondContact O-N 3.25Å; W36-E75 HydrophobicContact CE3-CG 4.43Å; W36-E75 HydrophobicContact CH2-CG 4.11Å; W36-E75 HydrophobicContact CZ3-CB 4.4Å; W36-E75 HydrophobicContact CZ3-CG 3.65Å; W36-P76 HydrophobicContact CD2-CG 3.77Å; W36-P76 HydrophobicContact CE3-CG 4.44Å; W36-P76 HydrophobicContact CG-CG 3.95Å; W36-P76 HydrophobicContact CZ2-CG 4Å
37Q90.5Very high95.2Very high55 Ų5554.9 Ų54.926%0.25728%0.277SS..SBendtrans-125.9153.4162.9-87.4-173.921.100109.3F32 N35F32-Q37 HydrophobicContact CD2-CB 3.72Å; F32-Q37 HydrophobicContact CE2-CB 4.12Å; F32-Q37 HydrophobicContact CG-CB 4.28Å; N35-Q37 CarbonylContact C-O 3.47Å; N35-Q37 PolarHBondContact O-N 2.95Å
38P94.9Very high95.2Very high101 Ų10155.5 Ų55.566%0.65628%0.279SS*.  trans-63.4161.1170.130.3-36.6000111
39D96.5Very high95.2Very high83 Ų8358.3 Ų58.344%0.44429%0.291SS..  trans-56.4137.8174.9-70.818.1000111.1T29 V30 A31T29-D39 HydrophobicContact CG2-CB 4.02Å; V30-D39 VanDerWaalsContact O-CA 3.25Å; V30-D39 WeakPolarHBondContact O-CA 3.33Å; A31-D39 WeakPolarHBondContact CA-OD1 3.42Å; A31-D39 WeakPolarHBondContact CB-OD1 3.46Å
40R96.4Very high95.2Very high107 Ų10759 Ų5940%0.40430%0.296SS..EExtended strand (participates in β ladder)trans-131.1142.9-177-72.9178.463.5-172.7-2.8111.8T29 V30 F32 I42T29-R40 WeakPolarHBondContact CA-O 3.38Å; V30-R40 PolarHBondContact N-O 2.9Å; V30-R40 PolarHBondContact O-N 3.3Å; F32-R40 HydrophobicContact CE2-CB 4.18Å; F32-R40 HydrophobicContact CE2-CG 4.18Å; R40-I42 HydrophobicContact CB-CD1 3.98Å; R40-I42 HydrophobicContact CB-CG1 4.45Å
41Q97.3Very high95.1Very high116 Ų11660.5 Ų60.554%0.54231%0.306SS..EExtended strand (participates in β ladder)trans-82.9122.1168.6-168.9169.82.300108.9S27 I28S27-Q41 WeakPolarHBondContact OG-CG 3.41Å; S27-Q41 PolarHBondContact OG-NE2 2.79Å; I28-Q41 CarbonylContact O-C 3.54Å; I28-Q41 VanDerWaalsContact O-CA 3.31Å; I28-Q41 WeakPolarHBondContact O-CA 3.44Å
42I97.4Very high95Very high8 Ų863.3 Ų63.34%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-124130.2-174.8-53.3-63.8000108.8V8 S27 I28 V30 R40 D46 V47V8-I42 HydrophobicContact CB-CG2 4.38Å; V8-I42 HydrophobicContact CG1-CG1 4.48Å; V8-I42 HydrophobicContact CG1-CG2 4.42Å; S27-I42 CarbonylContact C-O 3.6Å; S27-I42 VanDerWaalsContact CA-O 3.27Å; S27-I42 WeakPolarHBondContact CA-O 3.38Å; S27-I42 VanDerWaalsContact CB-O 3.23Å; S27-I42 WeakPolarHBondContact CB-O 3.45Å; I28-I42 PolarHBondContact N-O 3.4Å; I28-I42 PolarHBondContact O-N 2.84Å; V30-I42 HydrophobicContact CG2-CG1 3.86Å; R40-I42 HydrophobicContact CB-CD1 3.98Å; R40-I42 HydrophobicContact CB-CG1 4.45Å; I42-D46 HydrophobicContact CG2-CB 3.75Å; I42-V47 HydrophobicContact CB-CG2 4.09Å; I42-V47 HydrophobicContact CG2-CG2 3.62Å
43P97.7Very high94.8Very high44 Ų4470.6 Ų70.629%0.28637%0.369SS..EExtended strand (participates in β ladder)trans-70.2150.1178.931.2-36.2000111.3H45 D46P43-H45 PolarHBondContact O-N 3.11Å; P43-D46 HydrophobicContact CG-CB 4.28Å; P43-D46 PolarHBondContact O-N 2.99Å
44F97.6Very high94.7Very high16 Ų1670.6 Ų70.67%0.0739%0.387CS..G310 helixtrans-55.6-32.7-171.8-58.6-57.8000114.7E25 D26 I28 D46 V47 A121 K123 F126E25-F44 WeakPolarHBondContact O-CE2 3.48Å; D26-F44 VanDerWaalsContact C-CD2 3.41Å; D26-F44 VanDerWaalsContact CA-CE2 3.42Å; D26-F44 VanDerWaalsContact O-CD2 3.24Å; D26-F44 WeakPolarHBondContact O-CD2 3.41Å; D26-F44 PolarHBondContact O-N 3.23Å; I28-F44 HydrophobicContact CG2-CD1 4.25Å; I28-F44 HydrophobicContact CG2-CE1 3.76Å; F44-D46 PolarHBondContact O-N 3.12Å; F44-V47 PolarHBondContact O-N 2.82Å; F44-V47 VanDerWaalsContact O-N 3.1Å; F44-V47 VanDerWaalsContact O-O 3.12Å; F44-A121 CarbonylContact C-O 3.59Å; F44-A121 HydrophobicContact CB-CB 4.15Å; F44-A121 WeakPolarHBondContact CB-O 3.27Å; F44-A121 PolarHBondContact O-N 3.45Å; F44-K123 HydrophobicContact CD2-CB 4.42Å; F44-K123 HydrophobicContact CE2-CB 4.06Å; F44-K123 HydrophobicContact CE2-CG 4.25Å; F44-F126 AromaticContact CD1-CD2 3.92Å; F44-F126 HydrophobicContact CD1-CD2 3.92Å; F44-F126 HydrophobicContact CD1-CE2 4.33Å; F44-F126 AromaticContact CE1-CD2 3.81Å; F44-F126 HydrophobicContact CE1-CD2 3.81Å
45H96.6Very high94.8Very high119 Ų11966.4 Ų66.455%0.55136%0.36SS*.G310 helixtrans-70.7-12.6-179.759.7-104.9000114.9R9 P43 P120R9-H45 PolarHBondContact NH1-O 3.37Å; P43-H45 PolarHBondContact O-N 3.11Å; H45-P120 WeakPolarHBondContact O-CB 3.2Å
46D97.4Very high94.6Very high38 Ų3867 Ų6720%0.20336%0.363CS..G310 helixtrans-102.44.3173.2-77-25.4000112.6V8 R9 I42 P43 F44V8-D46 CarbonylContact C-O 3.54Å; V8-D46 WeakPolarHBondContact CA-O 3.27Å; R9-D46 HydrophobicContact CB-CB 3.99Å; R9-D46 WeakPolarHBondContact CD-OD1 3.34Å; R9-D46 IonicContact CZ-OD1 2.69Å; R9-D46 PolarHBondContact N-O 3.36Å; R9-D46 IonicContact NE-OD1 2.89Å; R9-D46 IonicContact NH1-OD1 3.84Å; R9-D46 PolarHBondContact NH1-OD1 3.31Å; I42-D46 HydrophobicContact CG2-CB 3.75Å; P43-D46 HydrophobicContact CG-CB 4.28Å; P43-D46 PolarHBondContact O-N 2.99Å; F44-D46 PolarHBondContact O-N 3.12Å
47V98Very high94.6Very high1 Ų169.8 Ų69.81%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-113.2136.7177.8-176.40000109.6V6 E7 V8 I28 I42 F44 P120 A121 F126V6-V47 HydrophobicContact CB-CG1 3.95Å; V6-V47 HydrophobicContact CG1-CG1 4.09Å; V6-V47 HydrophobicContact CG2-CG1 4.27Å; E7-V47 WeakPolarHBondContact O-CA 3.38Å; V8-V47 HydrophobicContact CG1-CG1 4.45Å; V8-V47 HydrophobicContact CG1-CG2 4.1Å; I28-V47 HydrophobicContact CD1-CB 4.4Å; I28-V47 HydrophobicContact CD1-CG1 3.76Å; I28-V47 HydrophobicContact CD1-CG2 3.85Å; I28-V47 HydrophobicContact CG1-CG2 3.94Å; I42-V47 HydrophobicContact CB-CG2 4.09Å; I42-V47 HydrophobicContact CG2-CG2 3.62Å; F44-V47 PolarHBondContact O-N 2.82Å; F44-V47 VanDerWaalsContact O-N 3.1Å; F44-V47 VanDerWaalsContact O-O 3.12Å; V47-P120 CarbonylContact O-C 3.5Å; V47-P120 VanDerWaalsContact O-CA 3.22Å; V47-P120 WeakPolarHBondContact O-CA 3.34Å; V47-A121 HydrophobicContact CB-CB 4.32Å; V47-A121 PolarHBondContact O-N 3.3Å; V47-F126 HydrophobicContact CG1-CE2 4.37Å; V47-F126 HydrophobicContact CG1-CZ 4.31Å
48R97.8Very high94.6Very high19 Ų1974.1 Ų74.17%0.07240%0.402CS..EExtended strand (participates in β ladder)trans-140.1160.2168.167.7-175-174.5-178.62.5110.9E7 F15 E66 N116E7-R48 HydrophobicContact CB-CG 3.9Å; E7-R48 PolarHBondContact N-O 3.01Å; E7-R48 PolarHBondContact O-N 3.49Å; E7-R48 IonicContact OE2-CZ 2.69Å; E7-R48 VanDerWaalsContact OE2-CZ 3.24Å; E7-R48 IonicContact OE2-NE 3.83Å; E7-R48 PolarHBondContact OE2-NE 3.09Å; E7-R48 IonicContact OE2-NH2 2.72Å; E7-R48 PolarHBondContact OE2-NH2 3.2Å; F15-R48 HydrophobicContact CD1-CG 4.25Å; F15-R48 HydrophobicContact CE1-CG 4.04Å; R48-E66 IonicContact CZ-OE1 3.21Å; R48-E66 VanDerWaalsContact CZ-OE1 3.24Å; R48-E66 IonicContact NH1-OE1 3.61Å; R48-E66 PolarHBondContact NH1-OE1 2.7Å; R48-E66 VanDerWaalsContact NH2-CD 3.33Å; R48-E66 IonicContact NH2-OE1 2.72Å; R48-E66 PolarHBondContact NH2-OE1 2.83Å; R48-E66 IonicContact NH2-OE2 2.82Å; R48-E66 PolarHBondContact NH2-OE2 2.78Å; R48-N116 PolarHBondContact NE-ND2 2.9Å
49F97.6Very high94.6Very high59 Ų5970.3 Ų70.326%0.25938%0.376SS..PPolyproline II helixtrans-74.2147.2170-66.6-66.6000110.9L4 V6 N116 N118 T125 F126 I173L4-F49 HydrophobicContact CD1-CE1 4.35Å; L4-F49 HydrophobicContact CD2-CE1 4.36Å; V6-F49 HydrophobicContact CG1-CD1 4.24Å; V6-F49 HydrophobicContact CG1-CE1 4.29Å; F49-N116 PolarHBondContact O-ND2 3.42Å; F49-N118 PolarHBondContact O-ND2 3.07Å; F49-T125 HydrophobicContact CE2-CG2 3.58Å; F49-T125 HydrophobicContact CZ-CG2 3.7Å; F49-F126 HydrophobicContact CE1-CE1 4.38Å; F49-F126 HydrophobicContact CE1-CZ 4.4Å; F49-F126 HydrophobicContact CZ-CE1 4.3Å; F49-F126 HydrophobicContact CZ-CZ 4.25Å; F49-I173 HydrophobicContact CE1-CG2 4.23Å; F49-I173 HydrophobicContact CZ-CD1 4.49Å; F49-I173 HydrophobicContact CZ-CG2 3.89Å
50P96.6Very high94.6Very high45 Ų4570.7 Ų70.729%0.29238%0.378SS..PPolyproline II helixtrans-59157.3172.327.7-36.3000111.2V5 E7 N118V5-P50 HydrophobicContact CG1-CG 4.32Å; V5-P50 WeakPolarHBondContact O-CD 3.43Å; E7-P50 HydrophobicContact CG-CB 4.34Å; P50-N118 PolarHBondContact O-ND2 3Å
51P95.8Very high94.5Very high31 Ų3170.5 Ų70.520%0.20138%0.382CS..PPolyproline II helixtrans-52.2145.6-177.8-24.731.8000112.7E7 V53 N116E7-P51 WeakPolarHBondContact OE1-CD 3.48Å; P51-V53 PolarHBondContact O-N 3.24Å; P51-N116 WeakPolarHBondContact CD-ND2 3.27Å; P51-N116 HydrophobicContact CG-CB 3.88Å
52P94.7Very high94.3Very high62 Ų6268.8 Ų68.840%0.40338%0.383SS..PPolyproline II helixtrans-55.9139.6177.3-23.833.5000112G54 Y55 P117P52-G54 PolarHBondContact O-N 2.84Å; P52-Y55 WeakPolarHBondContact O-CB 3.41Å; P52-Y55 PolarHBondContact O-N 3.34Å; P52-P117 HydrophobicContact CG-CG 4.26Å
53V90.5Very high94.2Very high160 Ų16071.3 Ų71.397%0.9740%0.396SS*.THydrogen-bonded Turntrans-59.8125-179.5-178.10000109.9P51P51-V53 PolarHBondContact O-N 3.24Å
54G87.3Confident94.1Very high70 Ų7075.4 Ų75.472%0.72241%0.412SS*.THydrogen-bonded Turntrans841.8-176.100000115.1P52 N56P52-G54 PolarHBondContact O-N 2.84Å; G54-N56 PolarHBondContact O-N 3.11Å; G54-N56 VanDerWaalsContact O-N 3.08Å
55Y90.5Very high94Very high68 Ų6874.7 Ų74.727%0.26741%0.409SS..  trans-74.495.9169.9-179.7-97.4000110.3P52 K57 P117P52-Y55 WeakPolarHBondContact O-CB 3.41Å; P52-Y55 PolarHBondContact O-N 3.34Å; Y55-K57 WeakPolarHBondContact OH-CE 3.45Å; Y55-K57 PolarHBondContact OH-NZ 3.5Å; Y55-P117 HydrophobicContact CD1-CG 4.04Å; Y55-P117 HydrophobicContact CD2-CG 4.31Å; Y55-P117 HydrophobicContact CE1-CB 4.4Å; Y55-P117 HydrophobicContact CE1-CG 3.79Å; Y55-P117 HydrophobicContact CE2-CB 4.45Å; Y55-P117 HydrophobicContact CE2-CG 4.07Å; Y55-P117 HydrophobicContact CG-CG 4.29Å
56N86Confident94Very high136 Ų13669.2 Ų69.273%0.72738%0.383SS*.  trans-126.4136.1167.6-65.9-48.3000108.2G54G54-N56 PolarHBondContact O-N 3.11Å; G54-N56 VanDerWaalsContact O-N 3.08Å
57K89.9Confident93.9Very high127 Ų12767.4 Ų67.455%0.55237%0.374SS*.  trans-116.9146.9165.5-65.5176.2172.4169.10108.4Y55 I59 S114Y55-K57 WeakPolarHBondContact OH-CE 3.45Å; Y55-K57 PolarHBondContact OH-NZ 3.5Å; K57-I59 PolarHBondContact O-N 3.07Å; K57-S114 WeakPolarHBondContact CB-OG 3.38Å; K57-S114 PolarHBondContact N-OG 2.87Å; K57-S114 PolarHBondContact O-OG 3Å
58D91.1Very high93.8Very high146 Ų14671.8 Ų71.878%0.78139%0.391SS*.  trans-57135.5170.7-55.9-47.7000109.7N60D58-N60 PolarHBondContact O-ND2 3.37Å
59I94.9Very high93.6Very high21 Ų2171.6 Ų71.611%0.10839%0.392CS..  trans-103.2120.5-176.5-68.4169.4000108.4K57 V65 V84 I87 Y92 I109 L112K57-I59 PolarHBondContact O-N 3.07Å; I59-V65 HydrophobicContact CB-CG1 4.48Å; I59-V65 HydrophobicContact CD1-CG1 4Å; I59-V65 HydrophobicContact CG1-CG1 4.02Å; I59-V65 HydrophobicContact CG2-CG1 3.65Å; I59-V84 HydrophobicContact CG2-CG2 3.67Å; I59-I87 WeakPolarHBondContact O-CD1 3.47Å; I59-Y92 HydrophobicContact CB-CE1 4.3Å; I59-Y92 HydrophobicContact CG2-CD1 4.14Å; I59-Y92 HydrophobicContact CG2-CE1 3.9Å; I59-I109 HydrophobicContact CD1-CD1 3.8Å; I59-L112 HydrophobicContact CD1-CB 3.88Å
60N94.7Very high93.2Very high92 Ų9275.4 Ų75.449%0.49241%0.405SS..  trans-113.1171.6-178-50-86.6000111.4D58 D63 V84D58-N60 PolarHBondContact O-ND2 3.37Å; N60-D63 WeakPolarHBondContact CA-OD2 3.26Å; N60-D63 VanDerWaalsContact CB-OD2 3.3Å; N60-D63 WeakPolarHBondContact CB-OD2 3.31Å; N60-D63 PolarHBondContact N-OD2 3.09Å; N60-D63 PolarHBondContact ND2-OD2 3.07Å; N60-D63 WeakPolarHBondContact O-CB 3.37Å; N60-D63 PolarHBondContact O-N 3.32Å; N60-V84 WeakPolarHBondContact O-CB 3.34Å
61E94.7Very high92.5Very high103 Ų10376.2 Ų76.248%0.48142%0.416SS..THydrogen-bonded Turntrans-62.4142.3170.7-64.9-172.5155.500110.9D63 M86 I87E61-D63 PolarHBondContact O-N 2.76Å; E61-M86 VanDerWaalsContact OE1-CA 3.3Å; E61-M86 WeakPolarHBondContact OE1-CA 3.3Å; E61-I87 HydrophobicContact CG-CB 4.11Å; E61-I87 HydrophobicContact CG-CD1 4.07Å; E61-I87 HydrophobicContact CG-CG1 3.81Å; E61-I87 PolarHBondContact OE1-N 2.67Å
62S93.3Very high91.9Very high79 Ų7977.9 Ų77.955%0.55242%0.423SS*.THydrogen-bonded Turntrans68.4-0.1-172-56.30000117.1K83 V84S62-K83 WeakPolarHBondContact O-CE 3.21Å; S62-V84 WeakPolarHBondContact CA-O 3.26Å; S62-V84 PolarHBondContact N-O 2.99Å
63D95.3Very high91.4Very high61 Ų6183.4 Ų83.433%0.32644%0.443SS..  trans-71.3147.1174.1-74.9-24.5000112.2N60 E61 V84N60-D63 WeakPolarHBondContact CA-OD2 3.26Å; N60-D63 VanDerWaalsContact CB-OD2 3.3Å; N60-D63 WeakPolarHBondContact CB-OD2 3.31Å; N60-D63 PolarHBondContact N-OD2 3.09Å; N60-D63 PolarHBondContact ND2-OD2 3.07Å; N60-D63 WeakPolarHBondContact O-CB 3.37Å; N60-D63 PolarHBondContact O-N 3.32Å; E61-D63 PolarHBondContact O-N 2.76Å; D63-V84 PolarHBondContact O-N 3.1Å
64E95.4Very high91Very high131 Ų13185.3 Ų85.361%0.61244%0.438SS*.EExtended strand (participates in β ladder)trans-81.3135.7166.5-68.9-178.4-178.300110V115E64-V115 HydrophobicContact CB-CG2 4.08Å; E64-V115 WeakPolarHBondContact O-CG2 3.43Å
65V95.7Very high91Very high1 Ų183.8 Ų83.81%0.00641%0.413CS..EExtended strand (participates in β ladder)trans-141.3163.4-172.5-69.20000110.4I59 A82 V84 L112I59-V65 HydrophobicContact CB-CG1 4.48Å; I59-V65 HydrophobicContact CD1-CG1 4Å; I59-V65 HydrophobicContact CG1-CG1 4.02Å; I59-V65 HydrophobicContact CG2-CG1 3.65Å; V65-A82 HydrophobicContact CG2-CB 4.24Å; V65-A82 WeakPolarHBondContact CG2-O 3.27Å; V65-A82 PolarHBondContact N-O 3.13Å; V65-A82 PolarHBondContact O-N 2.74Å; V65-A82 VanDerWaalsContact O-O 3.05Å; V65-V84 HydrophobicContact CB-CG2 4.46Å; V65-V84 HydrophobicContact CG1-CG2 3.79Å; V65-V84 HydrophobicContact CG2-CG2 3.78Å; V65-L112 HydrophobicContact CB-CD2 4.09Å; V65-L112 HydrophobicContact CG2-CD2 3.76Å
66E96.3Very high91.1Very high4 Ų482.9 Ų82.92%0.01942%0.415CS..EExtended strand (participates in β ladder)trans-108.7124.8166.9-70.6175.5161.800109.7R48 W79 W80 L81 R113 V115 N116R48-E66 IonicContact CZ-OE1 3.21Å; R48-E66 VanDerWaalsContact CZ-OE1 3.24Å; R48-E66 IonicContact NH1-OE1 3.61Å; R48-E66 PolarHBondContact NH1-OE1 2.7Å; R48-E66 VanDerWaalsContact NH2-CD 3.33Å; R48-E66 IonicContact NH2-OE1 2.72Å; R48-E66 PolarHBondContact NH2-OE1 2.83Å; R48-E66 IonicContact NH2-OE2 2.82Å; R48-E66 PolarHBondContact NH2-OE2 2.78Å; E66-W79 HydrophobicContact CB-CB 4.44Å; E66-W79 HydrophobicContact CB-CE3 4Å; E66-W79 WeakPolarHBondContact O-CZ3 3.39Å; E66-W80 CarbonylContact C-O 3.59Å; E66-W80 VanDerWaalsContact CA-O 3.24Å; E66-W80 WeakPolarHBondContact CA-O 3.16Å; E66-L81 HydrophobicContact CG-CD1 4.31Å; E66-R113 HydrophobicContact CB-CG 3.86Å; E66-R113 PolarHBondContact N-O 3.02Å; E66-R113 PolarHBondContact O-N 3.16Å; E66-R113 IonicContact OE2-CZ 3.64Å; E66-R113 IonicContact OE2-NE 3.85Å; E66-R113 PolarHBondContact OE2-NE 3.48Å; E66-R113 IonicContact OE2-NH2 2.69Å; E66-R113 PolarHBondContact OE2-NH2 2.82Å; E66-V115 HydrophobicContact CG-CG2 4.37Å; E66-N116 PolarHBondContact OE2-N 3Å
67V95.8Very high91.5Very high0 Ų078.4 Ų78.40%039%0.394CS..EExtended strand (participates in β ladder)trans-96137176.9140.70000110.9W79 W80 I94 Y96 V107 R111 L112V67-W79 WeakPolarHBondContact O-CA 3.47Å; V67-W80 PolarHBondContact N-O 3.11Å; V67-W80 PolarHBondContact O-N 2.78Å; V67-I94 HydrophobicContact CB-CD1 4.25Å; V67-I94 HydrophobicContact CG1-CD1 4.34Å; V67-I94 HydrophobicContact CG2-CD1 3.67Å; V67-I94 HydrophobicContact CG2-CG1 4.03Å; V67-Y96 HydrophobicContact CG1-CE1 3.91Å; V67-Y96 WeakPolarHBondContact CG1-OH 3.42Å; V67-V107 HydrophobicContact CG2-CG2 4.22Å; V67-R111 CarbonylContact C-O 3.44Å; V67-R111 WeakPolarHBondContact CA-O 3.44Å; V67-L112 HydrophobicContact CG2-CD2 3.35Å; V67-L112 HydrophobicContact CG2-CG 4.31Å
68Y96.2Very high91.7Very high93 Ų9372.4 Ų72.437%0.36537%0.368SS..EExtended strand (participates in β ladder)trans-85.3109.3169.6-159.8-126.6000110.2C77 C78 W79 R111Y68-C77 HydrophobicContact CD1-CB 3.78Å; Y68-C77 HydrophobicContact CD2-CB 4.04Å; Y68-C77 HydrophobicContact CE1-CB 3.39Å; Y68-C77 VanDerWaalsContact CE2-C 3.46Å; Y68-C77 HydrophobicContact CE2-CB 3.65Å; Y68-C77 WeakPolarHBondContact CE2-O 3.16Å; Y68-C77 HydrophobicContact CG-CB 4.09Å; Y68-C77 PolarHBondContact OH-O 2.79Å; Y68-C78 WeakPolarHBondContact CA-O 3.44Å; Y68-W79 AromaticContact CD2-CD2 3.9Å; Y68-W79 HydrophobicContact CD2-CD2 3.9Å; Y68-W79 AromaticContact CD2-CE2 3.59Å; Y68-W79 HydrophobicContact CD2-CE3 4.31Å; Y68-W79 HydrophobicContact CD2-CG 4.4Å; Y68-W79 HydrophobicContact CD2-CH2 4.23Å; Y68-W79 AromaticContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ3 4.47Å; Y68-W79 AromaticContact CD2-NE1 3.88Å; Y68-W79 HydrophobicContact CE2-CZ2 4.46Å; Y68-W79 HydrophobicContact CG-CH2 4.19Å; Y68-W79 HydrophobicContact CG-CZ2 4.14Å; Y68-W79 HydrophobicContact CG-CZ3 4.44Å; Y68-R111 PolarHBondContact N-O 2.95Å; Y68-R111 PolarHBondContact O-NE 2.94Å; Y68-R111 PolarHBondContact O-NH2 3.34Å; Y68-R111 VanDerWaalsContact O-NH2 3.16Å
69S92.4Very high91.9Very high15 Ų1567.7 Ų67.711%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-155.2166.3-176.2-160.90000112C77 C78 W80 Y96 R111S69-C77 CarbonylContact O-C 3.55Å; S69-C77 WeakPolarHBondContact O-CA 3.17Å; S69-C78 PolarHBondContact N-O 2.96Å; S69-C78 PolarHBondContact O-N 3.08Å; S69-C78 VanDerWaalsContact O-O 3.09Å; S69-C78 PolarHBondContact O-SG 3.29Å; S69-W80 PolarHBondContact O-NE1 2.92Å; S69-Y96 WeakPolarHBondContact CB-OH 3.35Å; S69-Y96 PolarHBondContact OG-OH 3.42Å; S69-Y96 VanDerWaalsContact OG-OH 3.04Å; S69-R111 PolarHBondContact OG-NH2 2.96Å
70R89.7Confident91.9Very high138 Ų13867.8 Ų67.852%0.52134%0.338SS..  trans-125.4139.4177.754.3-177.9161.5178.1-5.4110.4E75R70-E75 WeakPolarHBondContact CD-O 3.36Å
71A83.2Confident91.9Very high63 Ų6367 Ų6752%0.52133%0.334SS..SBendtrans-73.2-27.2179.100000113.2W80A71-W80 HydrophobicContact CB-CH2 4.19Å; A71-W80 HydrophobicContact CB-CZ2 3.91Å
72N82.1Confident91.9Very high66 Ų6662.2 Ų62.235%0.35331%0.312SS..SBendtrans-152167.4176.862.367.3000110.5K74 E75N72-K74 PolarHBondContact O-N 3.07Å; N72-K74 WeakPolarHBondContact OD1-CA 3.41Å; N72-K74 WeakPolarHBondContact OD1-CB 3.48Å; N72-K74 PolarHBondContact OD1-N 2.92Å; N72-E75 VanDerWaalsContact ND2-CD 3.35Å; N72-E75 PolarHBondContact ND2-OE1 3.15Å; N72-E75 PolarHBondContact O-N 3.24Å; N72-E75 WeakPolarHBondContact OD1-CG 3.48Å; N72-E75 PolarHBondContact OD1-N 3.2Å
73E84.4Confident92Very high178 Ų17863 Ų6383%0.83231%0.305SS*.THydrogen-bonded Turntrans-67.9-20.5-176.6-62.7-175.415500114.5
74K83.2Confident92Very high199 Ų19960 Ų6087%0.86529%0.289SS*.THydrogen-bonded Turntrans-84.7-18-179.4-60.8-179.6179.9178.50112.5N72N72-K74 PolarHBondContact O-N 3.07Å; N72-K74 WeakPolarHBondContact OD1-CA 3.41Å; N72-K74 WeakPolarHBondContact OD1-CB 3.48Å; N72-K74 PolarHBondContact OD1-N 2.92Å
75E87.3Confident91.9Very high39 Ų3959.5 Ų59.518%0.18228%0.282CS..SBendtrans-92.1144.9177.3-76.1-178.7-142.300111.8Y16 W36 R70 N72Y16-E75 PolarHBondContact OH-OE2 3Å; W36-E75 HydrophobicContact CE3-CG 4.43Å; W36-E75 HydrophobicContact CH2-CG 4.11Å; W36-E75 HydrophobicContact CZ3-CB 4.4Å; W36-E75 HydrophobicContact CZ3-CG 3.65Å; R70-E75 WeakPolarHBondContact CD-O 3.36Å; N72-E75 VanDerWaalsContact ND2-CD 3.35Å; N72-E75 PolarHBondContact ND2-OE1 3.15Å; N72-E75 PolarHBondContact O-N 3.24Å; N72-E75 WeakPolarHBondContact OD1-CG 3.48Å; N72-E75 PolarHBondContact OD1-N 3.2Å
76P92Very high91.8Very high49 Ų4964.3 Ų64.332%0.31831%0.305SS..PPolyproline II helixtrans-67.8159.6166.432.6-35.8000110.2Y16 W36Y16-P76 HydrophobicContact CD1-CG 4.38Å; W36-P76 HydrophobicContact CD2-CG 3.77Å; W36-P76 HydrophobicContact CE3-CG 4.44Å; W36-P76 HydrophobicContact CG-CG 3.95Å; W36-P76 HydrophobicContact CZ2-CG 4Å
77C93.3Very high91.8Very high41 Ų4166.3 Ų66.328%0.27732%0.316SS..PPolyproline II helixtrans-65.8138.9170.2-65.20000110.9Y68 S69Y68-C77 HydrophobicContact CD1-CB 3.78Å; Y68-C77 HydrophobicContact CD2-CB 4.04Å; Y68-C77 HydrophobicContact CE1-CB 3.39Å; Y68-C77 VanDerWaalsContact CE2-C 3.46Å; Y68-C77 HydrophobicContact CE2-CB 3.65Å; Y68-C77 WeakPolarHBondContact CE2-O 3.16Å; Y68-C77 HydrophobicContact CG-CB 4.09Å; Y68-C77 PolarHBondContact OH-O 2.79Å; S69-C77 CarbonylContact O-C 3.55Å; S69-C77 WeakPolarHBondContact O-CA 3.17Å
78C94.3Very high91.7Very high1 Ų174 Ų741%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-134.1173.2-179.555.10000109.9A14 F15 Y16 Y68 S69 W80A14-C78 HydrophobicContact CB-CB 4.47Å; F15-C78 WeakPolarHBondContact O-CB 3.38Å; Y16-C78 HydrophobicContact CD1-CB 3.58Å; Y16-C78 HydrophobicContact CD2-CB 4.14Å; Y16-C78 HydrophobicContact CE1-CB 3.69Å; Y16-C78 HydrophobicContact CE2-CB 4.2Å; Y16-C78 HydrophobicContact CG-CB 3.84Å; Y16-C78 VanDerWaalsContact CZ-SG 3.56Å; Y68-C78 WeakPolarHBondContact CA-O 3.44Å; S69-C78 PolarHBondContact N-O 2.96Å; S69-C78 PolarHBondContact O-N 3.08Å; S69-C78 VanDerWaalsContact O-O 3.09Å; S69-C78 PolarHBondContact O-SG 3.29Å; C78-W80 PolarHBondContact SG-NE1 3.47Å
79W96.3Very high91.6Very high48 Ų4872.7 Ų72.718%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-95.9118.4-175.8-66.6101.9000111.5A14 F15 E66 V67 Y68 R113A14-W79 WeakPolarHBondContact CA-O 3.45Å; F15-W79 HydrophobicContact CB-CB 4.33Å; F15-W79 PolarHBondContact N-O 3.41Å; F15-W79 PolarHBondContact O-N 2.85Å; E66-W79 HydrophobicContact CB-CB 4.44Å; E66-W79 HydrophobicContact CB-CE3 4Å; E66-W79 WeakPolarHBondContact O-CZ3 3.39Å; V67-W79 WeakPolarHBondContact O-CA 3.47Å; Y68-W79 AromaticContact CD2-CD2 3.9Å; Y68-W79 HydrophobicContact CD2-CD2 3.9Å; Y68-W79 AromaticContact CD2-CE2 3.59Å; Y68-W79 HydrophobicContact CD2-CE3 4.31Å; Y68-W79 HydrophobicContact CD2-CG 4.4Å; Y68-W79 HydrophobicContact CD2-CH2 4.23Å; Y68-W79 AromaticContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ2 3.78Å; Y68-W79 HydrophobicContact CD2-CZ3 4.47Å; Y68-W79 AromaticContact CD2-NE1 3.88Å; Y68-W79 HydrophobicContact CE2-CZ2 4.46Å; Y68-W79 HydrophobicContact CG-CH2 4.19Å; Y68-W79 HydrophobicContact CG-CZ2 4.14Å; Y68-W79 HydrophobicContact CG-CZ3 4.44Å; W79-R113 HydrophobicContact CD2-CG 4.49Å; W79-R113 VanDerWaalsContact CD2-CZ 3.49Å; W79-R113 HydrophobicContact CE3-CG 3.81Å; W79-R113 HydrophobicContact CH2-CB 4.3Å; W79-R113 HydrophobicContact CH2-CG 3.99Å; W79-R113 HydrophobicContact CZ3-CB 4.11Å; W79-R113 HydrophobicContact CZ3-CG 3.52Å
80W94.8Very high91.7Very high22 Ų2279.2 Ų79.28%0.08339%0.392CS..EExtended strand (participates in β ladder)trans-107.7135.1-179-64.680.3000110.7N12 A14 E66 V67 S69 A71 C78 A82 Y96 A98N12-W80 HydrophobicContact CB-CH2 3.9Å; N12-W80 HydrophobicContact CB-CZ3 4.32Å; N12-W80 WeakPolarHBondContact ND2-CH2 3.28Å; A14-W80 HydrophobicContact CB-CD2 3.67Å; A14-W80 HydrophobicContact CB-CE3 3.93Å; A14-W80 HydrophobicContact CB-CG 4.18Å; A14-W80 HydrophobicContact CB-CH2 4.05Å; A14-W80 HydrophobicContact CB-CZ2 3.78Å; A14-W80 HydrophobicContact CB-CZ3 4.11Å; E66-W80 CarbonylContact C-O 3.59Å; E66-W80 VanDerWaalsContact CA-O 3.24Å; E66-W80 WeakPolarHBondContact CA-O 3.16Å; V67-W80 PolarHBondContact N-O 3.11Å; V67-W80 PolarHBondContact O-N 2.78Å; S69-W80 PolarHBondContact O-NE1 2.92Å; A71-W80 HydrophobicContact CB-CH2 4.19Å; A71-W80 HydrophobicContact CB-CZ2 3.91Å; C78-W80 PolarHBondContact SG-NE1 3.47Å; W80-A82 PolarHBondContact O-N 2.81Å; W80-Y96 HydrophobicContact CB-CD1 3.73Å; W80-Y96 HydrophobicContact CB-CE1 3.6Å; W80-Y96 HydrophobicContact CD2-CD1 4.34Å; W80-Y96 HydrophobicContact CD2-CE1 4.2Å; W80-Y96 HydrophobicContact CE3-CD1 4.35Å; W80-Y96 HydrophobicContact CG-CD1 4.1Å; W80-Y96 AromaticContact CG-CE1 3.74Å; W80-Y96 HydrophobicContact CG-CE1 3.74Å; W80-A98 HydrophobicContact CE3-CB 4.38Å; W80-A98 HydrophobicContact CZ3-CB 4.34Å
81L94.4Very high92Very high77 Ų7778 Ų7840%0.40339%0.391SS..EExtended strand (participates in β ladder)trans-71.5129.2171.9-166.765.4000109.9E66 A97 V115E66-L81 HydrophobicContact CG-CD1 4.31Å; L81-A97 HydrophobicContact CB-CB 4.25Å; L81-A97 HydrophobicContact CD2-CB 4.31Å; L81-A97 HydrophobicContact CG-CB 4.27Å; L81-A97 WeakPolarHBondContact O-CB 3.22Å; L81-A97 PolarHBondContact O-N 3.11Å; L81-V115 HydrophobicContact CD1-CG1 4.4Å; L81-V115 HydrophobicContact CD1-CG2 3.8Å
82A94.2Very high92.6Very high2 Ų276.5 Ų76.52%0.01737%0.372CS..EExtended strand (participates in β ladder)trans-144.9166.2-178.900000110.9V65 W80 I94 E95V65-A82 HydrophobicContact CG2-CB 4.24Å; V65-A82 WeakPolarHBondContact CG2-O 3.27Å; V65-A82 PolarHBondContact N-O 3.13Å; V65-A82 PolarHBondContact O-N 2.74Å; V65-A82 VanDerWaalsContact O-O 3.05Å; W80-A82 PolarHBondContact O-N 2.81Å; A82-I94 HydrophobicContact CB-CB 4.35Å; A82-I94 HydrophobicContact CB-CD1 3.88Å; A82-E95 CarbonylContact C-O 3.59Å; A82-E95 WeakPolarHBondContact CA-O 3.4Å; A82-E95 VanDerWaalsContact CB-O 3.3Å; A82-E95 WeakPolarHBondContact CB-O 3.33Å
83K94.8Very high93.2Very high94 Ų9475.2 Ų75.241%0.40937%0.367SS..EExtended strand (participates in β ladder)trans-120.2135.1174.6-172.5174.3-176.3173.10110.4S62 R85 I94 E95S62-K83 WeakPolarHBondContact O-CE 3.21Å; K83-R85 PolarHBondContact O-N 3.42Å; K83-I94 WeakPolarHBondContact O-CA 3.26Å; K83-E95 PolarHBondContact N-O 3.28Å; K83-E95 PolarHBondContact O-N 3.28Å
84V95.3Very high93.7Very high0 Ų066.8 Ų66.80%033%0.327CS..EExtended strand (participates in β ladder)trans-75.3120.5174.6-175.50000109.2I59 N60 S62 D63 V65 I87 Y92 I94I59-V84 HydrophobicContact CG2-CG2 3.67Å; N60-V84 WeakPolarHBondContact O-CB 3.34Å; S62-V84 WeakPolarHBondContact CA-O 3.26Å; S62-V84 PolarHBondContact N-O 2.99Å; D63-V84 PolarHBondContact O-N 3.1Å; V65-V84 HydrophobicContact CB-CG2 4.46Å; V65-V84 HydrophobicContact CG1-CG2 3.79Å; V65-V84 HydrophobicContact CG2-CG2 3.78Å; V84-I87 HydrophobicContact CG1-CD1 4.16Å; V84-I87 HydrophobicContact CG1-CG1 3.72Å; V84-Y92 HydrophobicContact CG1-CD1 4.21Å; V84-I94 HydrophobicContact CG2-CG2 4.29Å
85R93.9Very high94.2Very high120 Ų12059 Ų5945%0.45329%0.294SS..EExtended strand (participates in β ladder)trans-91.7-36.6176.2-78.8-167.8168.3-1604.2113.5K83 V93 E95 N104K83-R85 PolarHBondContact O-N 3.42Å; R85-V93 PolarHBondContact N-O 2.94Å; R85-E95 HydrophobicContact CG-CB 4.23Å; R85-E95 IonicContact CZ-OE1 2.63Å; R85-E95 IonicContact CZ-OE2 2.81Å; R85-E95 IonicContact NE-OE1 2.79Å; R85-E95 IonicContact NE-OE2 2.9Å; R85-E95 PolarHBondContact NE-OE2 2.78Å; R85-E95 IonicContact NH2-OE1 2.64Å; R85-E95 PolarHBondContact NH2-OE1 3.41Å; R85-E95 IonicContact NH2-OE2 2.71Å; R85-E95 PolarHBondContact NH2-OE2 2.89Å; R85-N104 WeakPolarHBondContact CD-OD1 3.37Å
86M93.6Very high94.4Very high101 Ų10157.7 Ų57.750%0.49829%0.288SS..EExtended strand (participates in β ladder)trans-157143.3-176.2-175.7-180-65.700110.6E61 V93E61-M86 VanDerWaalsContact OE1-CA 3.3Å; E61-M86 WeakPolarHBondContact OE1-CA 3.3Å; M86-V93 HydrophobicContact CB-CB 4.15Å; M86-V93 HydrophobicContact CB-CG2 4.09Å; M86-V93 PolarHBondContact N-O 3.2Å; M86-V93 PolarHBondContact O-N 2.8Å
87I95.9Very high94Very high47 Ų4758.8 Ų58.824%0.24130%0.301CS..EExtended strand (participates in β ladder)trans-118.4126.7173.8-58.7174.1000108.6I59 E61 V84 Y92I59-I87 WeakPolarHBondContact O-CD1 3.47Å; E61-I87 HydrophobicContact CG-CB 4.11Å; E61-I87 HydrophobicContact CG-CD1 4.07Å; E61-I87 HydrophobicContact CG-CG1 3.81Å; E61-I87 PolarHBondContact OE1-N 2.67Å; V84-I87 HydrophobicContact CG1-CD1 4.16Å; V84-I87 HydrophobicContact CG1-CG1 3.72Å; I87-Y92 HydrophobicContact CD1-CD1 3.88Å; I87-Y92 HydrophobicContact CD1-CE1 3.52Å; I87-Y92 HydrophobicContact CG1-CD1 3.64Å; I87-Y92 HydrophobicContact CG1-CE1 3.74Å; I87-Y92 HydrophobicContact CG1-CG 4.42Å; I87-Y92 HydrophobicContact CG2-CD1 4.43Å; I87-Y92 HydrophobicContact CG2-CE1 4.1Å
88K95.1Very high93.1Very high162 Ų16260 Ų6070%0.70431%0.313SS*.EExtended strand (participates in β ladder)trans-136.392178.9-169.3174.4-179.5179.10110.9E90 F91K88-E90 PolarHBondContact O-N 3.32Å; K88-F91 PolarHBondContact N-O 3.23Å; K88-F91 PolarHBondContact O-N 3.45Å
89G93.3Very high91.7Very high65 Ų6562.8 Ų62.867%0.6733%0.332SS*.THydrogen-bonded Turntrans67.5-123.3-172.300000110.1F91G89-F91 VanDerWaalsContact C-N 3.32Å
90E93.9Very high90Very high151 Ų15167.3 Ų67.371%0.70636%0.36SS*.THydrogen-bonded Turntrans-84.9-4.9-179.7-59.6179.7155.900113.6K88K88-E90 PolarHBondContact O-N 3.32Å
91F96.1Very high88.3Confident113 Ų11369.4 Ų69.450%0.49638%0.382SS..EExtended strand (participates in β ladder)trans-101.5132.7-176-61-74.9000112.4K88 G89 I106 T108K88-F91 PolarHBondContact N-O 3.23Å; K88-F91 PolarHBondContact O-N 3.45Å; G89-F91 VanDerWaalsContact C-N 3.32Å; F91-I106 HydrophobicContact CB-CG2 3.93Å; F91-I106 HydrophobicContact CD1-CG2 4.01Å; F91-I106 HydrophobicContact CG-CG2 4.32Å; F91-T108 HydrophobicContact CD1-CG2 4.42Å; F91-T108 HydrophobicContact CE1-CG2 4.32Å
92Y96.8Very high86.7Confident32 Ų3271.3 Ų71.313%0.12540%0.397CS..EExtended strand (participates in β ladder)trans-116.1121-179.9-65.8-109.6000108.2I59 V84 I87 I106 V107 I109 L112I59-Y92 HydrophobicContact CB-CE1 4.3Å; I59-Y92 HydrophobicContact CG2-CD1 4.14Å; I59-Y92 HydrophobicContact CG2-CE1 3.9Å; V84-Y92 HydrophobicContact CG1-CD1 4.21Å; I87-Y92 HydrophobicContact CD1-CD1 3.88Å; I87-Y92 HydrophobicContact CD1-CE1 3.52Å; I87-Y92 HydrophobicContact CG1-CD1 3.64Å; I87-Y92 HydrophobicContact CG1-CE1 3.74Å; I87-Y92 HydrophobicContact CG1-CG 4.42Å; I87-Y92 HydrophobicContact CG2-CD1 4.43Å; I87-Y92 HydrophobicContact CG2-CE1 4.1Å; Y92-I106 WeakPolarHBondContact O-CA 3.28Å; Y92-V107 PolarHBondContact N-O 3.07Å; Y92-V107 PolarHBondContact O-N 3.39Å; Y92-I109 HydrophobicContact CE1-CD1 4.29Å; Y92-I109 HydrophobicContact CE2-CB 3.87Å; Y92-I109 HydrophobicContact CE2-CD1 4.24Å; Y92-L112 HydrophobicContact CD1-CD1 3.62Å; Y92-L112 HydrophobicContact CD2-CD1 3.98Å; Y92-L112 HydrophobicContact CE1-CD1 4.31Å; Y92-L112 HydrophobicContact CG-CD1 3.45Å; Y92-L112 VanDerWaalsContact CG-CD1 3.45Å
93V95.3Very high85.9Confident39 Ų3977.6 Ų77.624%0.23642%0.421CS..EExtended strand (participates in β ladder)trans-86.8117.8171.4-172.40000107.5R85 M86 I106R85-V93 PolarHBondContact N-O 2.94Å; M86-V93 HydrophobicContact CB-CB 4.15Å; M86-V93 HydrophobicContact CB-CG2 4.09Å; M86-V93 PolarHBondContact N-O 3.2Å; M86-V93 PolarHBondContact O-N 2.8Å; V93-I106 HydrophobicContact CG2-CG1 4.38Å
94I94.8Very high85.4Confident0 Ų076.2 Ų76.20%042%0.418CS..EExtended strand (participates in β ladder)trans-118.5148.9-17863.2109.6000112.5V67 A82 K83 V84 Y96 N104 E105 V107 L112V67-I94 HydrophobicContact CB-CD1 4.25Å; V67-I94 HydrophobicContact CG1-CD1 4.34Å; V67-I94 HydrophobicContact CG2-CD1 3.67Å; V67-I94 HydrophobicContact CG2-CG1 4.03Å; A82-I94 HydrophobicContact CB-CB 4.35Å; A82-I94 HydrophobicContact CB-CD1 3.88Å; K83-I94 WeakPolarHBondContact O-CA 3.26Å; V84-I94 HydrophobicContact CG2-CG2 4.29Å; I94-Y96 HydrophobicContact CD1-CD2 3.76Å; I94-Y96 HydrophobicContact CD1-CE1 4.44Å; I94-Y96 HydrophobicContact CD1-CE2 3.48Å; I94-Y96 VanDerWaalsContact CD1-CE2 3.48Å; I94-Y96 HydrophobicContact CD1-CG 4.38Å; I94-N104 CarbonylContact O-C 3.59Å; I94-N104 VanDerWaalsContact O-CA 3.27Å; I94-N104 WeakPolarHBondContact O-CA 3.47Å; I94-E105 HydrophobicContact CD1-CB 4.26Å; I94-E105 HydrophobicContact CG1-CB 4.26Å; I94-E105 PolarHBondContact N-O 3.08Å; I94-E105 PolarHBondContact O-N 3.17Å; I94-V107 HydrophobicContact CG1-CG1 4.34Å; I94-V107 HydrophobicContact CG1-CG2 4.15Å; I94-V107 HydrophobicContact CG2-CG2 4.13Å; I94-L112 HydrophobicContact CG2-CD2 4.18Å
95E92.8Very high85.3Confident36 Ų3677.9 Ų77.917%0.16843%0.426CS..EExtended strand (participates in β ladder)trans-114.8126.2173.4173.3177.1-148.400109.1A82 K83 R85 A101A82-E95 CarbonylContact C-O 3.59Å; A82-E95 WeakPolarHBondContact CA-O 3.4Å; A82-E95 VanDerWaalsContact CB-O 3.3Å; A82-E95 WeakPolarHBondContact CB-O 3.33Å; K83-E95 PolarHBondContact N-O 3.28Å; K83-E95 PolarHBondContact O-N 3.28Å; R85-E95 HydrophobicContact CG-CB 4.23Å; R85-E95 IonicContact CZ-OE1 2.63Å; R85-E95 IonicContact CZ-OE2 2.81Å; R85-E95 IonicContact NE-OE1 2.79Å; R85-E95 IonicContact NE-OE2 2.9Å; R85-E95 PolarHBondContact NE-OE2 2.78Å; R85-E95 IonicContact NH2-OE1 2.64Å; R85-E95 PolarHBondContact NH2-OE1 3.41Å; R85-E95 IonicContact NH2-OE2 2.71Å; R85-E95 PolarHBondContact NH2-OE2 2.89Å; E95-A101 WeakPolarHBondContact OE1-CB 3.47Å
96Y90.9Very high85.3Confident12 Ų1277.5 Ų77.55%0.04743%0.432CS..EExtended strand (participates in β ladder)trans-77134179.6-75-96.7000111.7V67 S69 W80 I94 A98 Y103 E105V67-Y96 HydrophobicContact CG1-CE1 3.91Å; V67-Y96 WeakPolarHBondContact CG1-OH 3.42Å; S69-Y96 WeakPolarHBondContact CB-OH 3.35Å; S69-Y96 PolarHBondContact OG-OH 3.42Å; S69-Y96 VanDerWaalsContact OG-OH 3.04Å; W80-Y96 HydrophobicContact CB-CD1 3.73Å; W80-Y96 HydrophobicContact CB-CE1 3.6Å; W80-Y96 HydrophobicContact CD2-CD1 4.34Å; W80-Y96 HydrophobicContact CD2-CE1 4.2Å; W80-Y96 HydrophobicContact CE3-CD1 4.35Å; W80-Y96 HydrophobicContact CG-CD1 4.1Å; W80-Y96 AromaticContact CG-CE1 3.74Å; W80-Y96 HydrophobicContact CG-CE1 3.74Å; I94-Y96 HydrophobicContact CD1-CD2 3.76Å; I94-Y96 HydrophobicContact CD1-CE1 4.44Å; I94-Y96 HydrophobicContact CD1-CE2 3.48Å; I94-Y96 VanDerWaalsContact CD1-CE2 3.48Å; I94-Y96 HydrophobicContact CD1-CG 4.38Å; Y96-A98 VanDerWaalsContact C-N 3.31Å; Y96-A98 PolarHBondContact O-N 3Å; Y96-Y103 AromaticContact CD2-CD1 3.71Å; Y96-Y103 HydrophobicContact CD2-CD1 3.71Å; Y96-Y103 HydrophobicContact CD2-CE1 4.14Å; Y96-Y103 AromaticContact CE2-CD1 3.92Å; Y96-Y103 HydrophobicContact CE2-CD1 3.92Å; Y96-Y103 AromaticContact CE2-CE1 3.85Å; Y96-Y103 HydrophobicContact CE2-CE1 3.85Å; Y96-E105 HydrophobicContact CE2-CB 3.97Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.47Å; Y96-E105 PolarHBondContact OH-OE2 3.21Å
97A85.3Confident85.4Confident72 Ų7272.9 Ų72.960%0.59541%0.41SS*.THydrogen-bonded Turntrans-76.2-15.6-179.700000114.2L81L81-A97 HydrophobicContact CB-CB 4.25Å; L81-A97 HydrophobicContact CD2-CB 4.31Å; L81-A97 HydrophobicContact CG-CB 4.27Å; L81-A97 WeakPolarHBondContact O-CB 3.22Å; L81-A97 PolarHBondContact O-N 3.11Å
98A73.6Confident85.4Confident65 Ų6572.9 Ų72.954%0.53741%0.412SS..THydrogen-bonded Turntrans-102.8-2.2-175.800000114.2W80 Y96W80-A98 HydrophobicContact CE3-CB 4.38Å; W80-A98 HydrophobicContact CZ3-CB 4.34Å; Y96-A98 VanDerWaalsContact C-N 3.31Å; Y96-A98 PolarHBondContact O-N 3Å
99C64.7Low85.4Confident60 Ų6069 Ų6941%0.40540%0.398SS..SBendtrans-109160174.8-62.20000109.5A101C99-A101 PolarHBondContact O-N 3.37Å
100D60.4Low85.4Confident143 Ų14374.2 Ų74.277%0.76541%0.405SS*.  trans-53.7142.2165-69.9-41000109.5T102 Y103D100-T102 PolarHBondContact O-N 2.86Å; D100-Y103 PolarHBondContact O-N 3.21Å
101A58.7Low85.5Confident66 Ų6670.5 Ų70.555%0.54538%0.384SS..THydrogen-bonded Turntrans-65.625.1-166.500000116.4E95 C99E95-A101 WeakPolarHBondContact OE1-CB 3.47Å; C99-A101 PolarHBondContact O-N 3.37Å
102T61.2Low85.5Confident118 Ų11865.8 Ų65.872%0.72436%0.364SS*.THydrogen-bonded Turntrans-110.2-22.5179.9580000112.5D100 N104D100-T102 PolarHBondContact O-N 2.86Å; T102-N104 PolarHBondContact O-N 3.29Å; T102-N104 PolarHBondContact O-ND2 3.41Å
103Y77.6Confident85.4Confident134 Ų13465.8 Ų65.853%0.52536%0.364SS..  trans-8396.8-179.8-162.9-99.8000111.9Y96 D100Y96-Y103 AromaticContact CD2-CD1 3.71Å; Y96-Y103 HydrophobicContact CD2-CD1 3.71Å; Y96-Y103 HydrophobicContact CD2-CE1 4.14Å; Y96-Y103 AromaticContact CE2-CD1 3.92Å; Y96-Y103 HydrophobicContact CE2-CD1 3.92Å; Y96-Y103 AromaticContact CE2-CE1 3.85Å; Y96-Y103 HydrophobicContact CE2-CE1 3.85Å; D100-Y103 PolarHBondContact O-N 3.21Å
104N85.3Confident85.4Confident64 Ų6464.6 Ų64.634%0.34236%0.357SS..EExtended strand (participates in β ladder)trans-103.8138.3173.7-60.2-87.9000110R85 I94 T102R85-N104 WeakPolarHBondContact CD-OD1 3.37Å; I94-N104 CarbonylContact O-C 3.59Å; I94-N104 VanDerWaalsContact O-CA 3.27Å; I94-N104 WeakPolarHBondContact O-CA 3.47Å; T102-N104 PolarHBondContact O-N 3.29Å; T102-N104 PolarHBondContact O-ND2 3.41Å
105E91.2Very high85.5Confident35 Ų3566.7 Ų66.716%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-121.5149174.6-167.7-179.5164.300110.2I94 Y96 V107 R111I94-E105 HydrophobicContact CD1-CB 4.26Å; I94-E105 HydrophobicContact CG1-CB 4.26Å; I94-E105 PolarHBondContact N-O 3.08Å; I94-E105 PolarHBondContact O-N 3.17Å; Y96-E105 HydrophobicContact CE2-CB 3.97Å; Y96-E105 WeakPolarHBondContact CE2-OE2 3.47Å; Y96-E105 PolarHBondContact OH-OE2 3.21Å; E105-V107 HydrophobicContact CB-CG1 4.42Å; E105-V107 HydrophobicContact CG-CG1 3.89Å; E105-R111 IonicContact OE1-CZ 2.62Å; E105-R111 IonicContact OE1-NH1 3.16Å; E105-R111 PolarHBondContact OE1-NH1 3.17Å; E105-R111 IonicContact OE1-NH2 3.36Å; E105-R111 PolarHBondContact OE1-NH2 3.39Å; E105-R111 IonicContact OE2-NH2 3.74Å
106I94.7Very high85.7Confident113 Ų11365.4 Ų65.458%0.57936%0.364SS*.EExtended strand (participates in β ladder)trans-102.9119.4171.3-54.4-178.6000107.6F91 Y92 V93F91-I106 HydrophobicContact CB-CG2 3.93Å; F91-I106 HydrophobicContact CD1-CG2 4.01Å; F91-I106 HydrophobicContact CG-CG2 4.32Å; Y92-I106 WeakPolarHBondContact O-CA 3.28Å; V93-I106 HydrophobicContact CG2-CG1 4.38Å
107V96.2Very high85.9Confident4 Ų467.8 Ų67.82%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-126.9160.6-177.3-57.50000111.4V67 Y92 I94 E105 R111 L112V67-V107 HydrophobicContact CG2-CG2 4.22Å; Y92-V107 PolarHBondContact N-O 3.07Å; Y92-V107 PolarHBondContact O-N 3.39Å; I94-V107 HydrophobicContact CG1-CG1 4.34Å; I94-V107 HydrophobicContact CG1-CG2 4.15Å; I94-V107 HydrophobicContact CG2-CG2 4.13Å; E105-V107 HydrophobicContact CB-CG1 4.42Å; E105-V107 HydrophobicContact CG-CG1 3.89Å; V107-R111 HydrophobicContact CB-CB 4.44Å; V107-L112 HydrophobicContact CG2-CD1 3.94Å; V107-L112 HydrophobicContact CG2-CD2 4.15Å; V107-L112 HydrophobicContact CG2-CG 3.9Å
108T95.8Very high86.4Confident47 Ų4766.8 Ų66.829%0.28837%0.366SS..EExtended strand (participates in β ladder)trans-91162.3168.355.40000110.5F91 E110 R111F91-T108 HydrophobicContact CD1-CG2 4.42Å; F91-T108 HydrophobicContact CE1-CG2 4.32Å; T108-E110 PolarHBondContact O-N 3.05Å; T108-E110 VanDerWaalsContact O-N 3.11Å; T108-R111 PolarHBondContact O-N 3.02Å; T108-R111 VanDerWaalsContact O-N 3.11Å
109I94Very high87.5Confident80 Ų8072.4 Ų72.441%0.4138%0.378SS..G310 helixtrans-55.8-27.3177.6-168.961.4000113.4I59 Y92 R111 L112I59-I109 HydrophobicContact CD1-CD1 3.8Å; Y92-I109 HydrophobicContact CE1-CD1 4.29Å; Y92-I109 HydrophobicContact CE2-CB 3.87Å; Y92-I109 HydrophobicContact CE2-CD1 4.24Å; I109-R111 PolarHBondContact O-N 3.27Å; I109-L112 HydrophobicContact CD1-CB 4.23Å; I109-L112 HydrophobicContact CD1-CD1 4.39Å; I109-L112 PolarHBondContact O-N 3.23Å
110E94.6Very high89Confident175 Ų17572.6 Ų72.682%0.81838%0.379SS*.G310 helixtrans-62.8-25.3178.6-57.9-177150.400113.9T108T108-E110 PolarHBondContact O-N 3.05Å; T108-E110 VanDerWaalsContact O-N 3.11Å
111R95.7Very high90.8Very high72 Ų7266.3 Ų66.327%0.27235%0.347SS..G310 helixtrans-94.43.1176-72.2179.861.6-155.6-7.1112.9V67 Y68 S69 E105 V107 T108 I109V67-R111 CarbonylContact C-O 3.44Å; V67-R111 WeakPolarHBondContact CA-O 3.44Å; Y68-R111 PolarHBondContact N-O 2.95Å; Y68-R111 PolarHBondContact O-NE 2.94Å; Y68-R111 PolarHBondContact O-NH2 3.34Å; Y68-R111 VanDerWaalsContact O-NH2 3.16Å; S69-R111 PolarHBondContact OG-NH2 2.96Å; E105-R111 IonicContact OE1-CZ 2.62Å; E105-R111 IonicContact OE1-NH1 3.16Å; E105-R111 PolarHBondContact OE1-NH1 3.17Å; E105-R111 IonicContact OE1-NH2 3.36Å; E105-R111 PolarHBondContact OE1-NH2 3.39Å; E105-R111 IonicContact OE2-NH2 3.74Å; V107-R111 HydrophobicContact CB-CB 4.44Å; T108-R111 PolarHBondContact O-N 3.02Å; T108-R111 VanDerWaalsContact O-N 3.11Å; I109-R111 PolarHBondContact O-N 3.27Å
112L95.8Very high92.6Very high15 Ų1566.5 Ų66.58%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-111.5147.3-177.2-72.8170000111.5I59 V65 V67 Y92 I94 V107 I109I59-L112 HydrophobicContact CD1-CB 3.88Å; V65-L112 HydrophobicContact CB-CD2 4.09Å; V65-L112 HydrophobicContact CG2-CD2 3.76Å; V67-L112 HydrophobicContact CG2-CD2 3.35Å; V67-L112 HydrophobicContact CG2-CG 4.31Å; Y92-L112 HydrophobicContact CD1-CD1 3.62Å; Y92-L112 HydrophobicContact CD2-CD1 3.98Å; Y92-L112 HydrophobicContact CE1-CD1 4.31Å; Y92-L112 HydrophobicContact CG-CD1 3.45Å; Y92-L112 VanDerWaalsContact CG-CD1 3.45Å; I94-L112 HydrophobicContact CG2-CD2 4.18Å; V107-L112 HydrophobicContact CG2-CD1 3.94Å; V107-L112 HydrophobicContact CG2-CD2 4.15Å; V107-L112 HydrophobicContact CG2-CG 3.9Å; I109-L112 HydrophobicContact CD1-CB 4.23Å; I109-L112 HydrophobicContact CD1-CD1 4.39Å; I109-L112 PolarHBondContact O-N 3.23Å
113R96Very high94.1Very high32 Ų3266.2 Ų66.212%0.12133%0.33CS..EExtended strand (participates in β ladder)trans-141.9157.2162.270.5-177.8-168.7-175.35.7110.8E7 E66 W79E7-R113 IonicContact OE1-CZ 3.62Å; E7-R113 IonicContact OE1-NH1 3.74Å; E7-R113 PolarHBondContact OE1-NH1 3.47Å; E7-R113 IonicContact OE1-NH2 3.63Å; E7-R113 PolarHBondContact OE1-NH2 2.99Å; E7-R113 IonicContact OE2-NH2 2.68Å; E7-R113 PolarHBondContact OE2-NH2 2.92Å; E66-R113 HydrophobicContact CB-CG 3.86Å; E66-R113 PolarHBondContact N-O 3.02Å; E66-R113 PolarHBondContact O-N 3.16Å; E66-R113 IonicContact OE2-CZ 3.64Å; E66-R113 IonicContact OE2-NE 3.85Å; E66-R113 PolarHBondContact OE2-NE 3.48Å; E66-R113 IonicContact OE2-NH2 2.69Å; E66-R113 PolarHBondContact OE2-NH2 2.82Å; W79-R113 HydrophobicContact CD2-CG 4.49Å; W79-R113 VanDerWaalsContact CD2-CZ 3.49Å; W79-R113 HydrophobicContact CE3-CG 3.81Å; W79-R113 HydrophobicContact CH2-CB 4.3Å; W79-R113 HydrophobicContact CH2-CG 3.99Å; W79-R113 HydrophobicContact CZ3-CB 4.11Å; W79-R113 HydrophobicContact CZ3-CG 3.52Å
114S95.3Very high94.9Very high14 Ų1466 Ų6610%0.09834%0.338CS..EExtended strand (participates in β ladder)trans-60.2143.5166.8-37.90000109.9K57 N116K57-S114 WeakPolarHBondContact CB-OG 3.38Å; K57-S114 PolarHBondContact N-OG 2.87Å; K57-S114 PolarHBondContact O-OG 3Å; S114-N116 PolarHBondContact O-N 3.22Å
115V95.7Very high95.4Very high44 Ų4464.2 Ų64.227%0.26733%0.33SS..PPolyproline II helixtrans-51.5132.4179.5-179.80000111.2E64 E66 L81 P117E64-V115 HydrophobicContact CB-CG2 4.08Å; E64-V115 WeakPolarHBondContact O-CG2 3.43Å; E66-V115 HydrophobicContact CG-CG2 4.37Å; L81-V115 HydrophobicContact CD1-CG1 4.4Å; L81-V115 HydrophobicContact CD1-CG2 3.8Å; V115-P117 WeakPolarHBondContact O-CD 3.46Å
116N96.6Very high95.7Very high9 Ų962.9 Ų62.95%0.04832%0.323CS..PPolyproline II helixtrans-57.4118.5-179.2-176.1-10.8000110.6E7 R48 F49 P51 E66 S114 N118E7-N116 PolarHBondContact OE2-ND2 3.02Å; R48-N116 PolarHBondContact NE-ND2 2.9Å; F49-N116 PolarHBondContact O-ND2 3.42Å; P51-N116 WeakPolarHBondContact CD-ND2 3.27Å; P51-N116 HydrophobicContact CG-CB 3.88Å; E66-N116 PolarHBondContact OE2-N 3Å; S114-N116 PolarHBondContact O-N 3.22Å; N116-N118 VanDerWaalsContact C-N 3.25Å; N116-N118 PolarHBondContact O-N 3.32Å; N116-N118 WeakPolarHBondContact OD1-CB 3.34Å; N116-N118 PolarHBondContact OD1-N 2.93Å; N116-N118 VanDerWaalsContact OD1-N 3.07Å; N116-N118 PolarHBondContact OD1-ND2 3.37Å
117P95.6Very high95.8Very high62 Ų6259.6 Ų59.640%0.40331%0.305SS..  trans-77.7-9.4-174.633-36.7000113.3P52 Y55 V115 K119P52-P117 HydrophobicContact CG-CG 4.26Å; Y55-P117 HydrophobicContact CD1-CG 4.04Å; Y55-P117 HydrophobicContact CD2-CG 4.31Å; Y55-P117 HydrophobicContact CE1-CB 4.4Å; Y55-P117 HydrophobicContact CE1-CG 3.79Å; Y55-P117 HydrophobicContact CE2-CB 4.45Å; Y55-P117 HydrophobicContact CE2-CG 4.07Å; Y55-P117 HydrophobicContact CG-CG 4.29Å; V115-P117 WeakPolarHBondContact O-CD 3.46Å; P117-K119 PolarHBondContact O-N 3.34Å
118N96.7Very high95.9Very high51 Ų5162.9 Ų62.927%0.27332%0.319SS..PPolyproline II helixtrans-73128.5-178.6-66.2-36000111F49 P50 N116F49-N118 PolarHBondContact O-ND2 3.07Å; P50-N118 PolarHBondContact O-ND2 3Å; N116-N118 VanDerWaalsContact C-N 3.25Å; N116-N118 PolarHBondContact O-N 3.32Å; N116-N118 WeakPolarHBondContact OD1-CB 3.34Å; N116-N118 PolarHBondContact OD1-N 2.93Å; N116-N118 VanDerWaalsContact OD1-N 3.07Å; N116-N118 PolarHBondContact OD1-ND2 3.37Å
119K96.1Very high96Very high182 Ų18261.2 Ų61.279%0.79131%0.309SS*.PPolyproline II helixtrans-67.3157.5170.9-62.4-174.9-179.6-178.30110.5P117P117-K119 PolarHBondContact O-N 3.34Å
120P96.5Very high96.1Very high64 Ų6462.3 Ų62.342%0.41631%0.31SS..PPolyproline II helixtrans-56.6155.3169.4-23.734.3000112.6H45 V47H45-P120 WeakPolarHBondContact O-CB 3.2Å; V47-P120 CarbonylContact O-C 3.5Å; V47-P120 VanDerWaalsContact O-CA 3.22Å; V47-P120 WeakPolarHBondContact O-CA 3.34Å
121A97Very high96.3Very high12 Ų1254.7 Ų54.710%0.09928%0.275CS..PPolyproline II helixtrans-67.6161.117800000112F44 V47 T125 F126F44-A121 CarbonylContact C-O 3.59Å; F44-A121 HydrophobicContact CB-CB 4.15Å; F44-A121 WeakPolarHBondContact CB-O 3.27Å; F44-A121 PolarHBondContact O-N 3.45Å; V47-A121 HydrophobicContact CB-CB 4.32Å; V47-A121 PolarHBondContact O-N 3.3Å; A121-T125 HydrophobicContact CB-CG2 3.87Å; A121-F126 HydrophobicContact CB-CD2 4.46Å; A121-F126 HydrophobicContact CB-CE2 3.76Å
122T96.3Very high96.4Very high70 Ų7056.8 Ų56.843%0.42929%0.292SS..  trans-126.8172.5175.666.10000110.2D124 T125T122-D124 PolarHBondContact O-N 3.12Å; T122-D124 VanDerWaalsContact O-N 3.13Å; T122-D124 PolarHBondContact OG1-N 3.04Å; T122-T125 PolarHBondContact N-OG1 3Å; T122-T125 VanDerWaalsContact O-CB 3.25Å; T122-T125 WeakPolarHBondContact O-CB 3.24Å; T122-T125 PolarHBondContact O-N 3.27Å; T122-T125 PolarHBondContact O-OG1 2.97Å; T122-T125 PolarHBondContact OG1-OG1 3.16Å; T122-T125 VanDerWaalsContact OG1-OG1 3.13Å
123K93.8Very high96.5Very high112 Ų11256.3 Ų56.349%0.48729%0.29SS..THydrogen-bonded Turntrans-55.2-29.3173.9-170.2169-174.1170.60113.1E25 F44 T125E25-K123 VanDerWaalsContact O-CE 3.3Å; E25-K123 WeakPolarHBondContact O-CE 3.37Å; E25-K123 IonicContact OE1-NZ 2.75Å; E25-K123 PolarHBondContact OE1-NZ 2.9Å; F44-K123 HydrophobicContact CD2-CB 4.42Å; F44-K123 HydrophobicContact CE2-CB 4.06Å; F44-K123 HydrophobicContact CE2-CG 4.25Å; K123-T125 VanDerWaalsContact C-N 3.34Å
124D93.9Very high96.6Very high128 Ų12856.8 Ų56.868%0.68430%0.297SS*.THydrogen-bonded Turntrans-87.3-0.6-179.8-44.7-56.1000113.4T122 H127T122-D124 PolarHBondContact O-N 3.12Å; T122-D124 VanDerWaalsContact O-N 3.13Å; T122-D124 PolarHBondContact OG1-N 3.04Å; D124-H127 PolarHBondContact O-CE1 2.98Å
125T96.4Very high96.5Very high28 Ų2863.1 Ų63.117%0.17233%0.325CS..SBendtrans-81.4-27.8-178.2-58.80000113.1F49 A121 T122 K123 I173F49-T125 HydrophobicContact CE2-CG2 3.58Å; F49-T125 HydrophobicContact CZ-CG2 3.7Å; A121-T125 HydrophobicContact CB-CG2 3.87Å; T122-T125 PolarHBondContact N-OG1 3Å; T122-T125 VanDerWaalsContact O-CB 3.25Å; T122-T125 WeakPolarHBondContact O-CB 3.24Å; T122-T125 PolarHBondContact O-N 3.27Å; T122-T125 PolarHBondContact O-OG1 2.97Å; T122-T125 PolarHBondContact OG1-OG1 3.16Å; T122-T125 VanDerWaalsContact OG1-OG1 3.13Å; K123-T125 VanDerWaalsContact C-N 3.34Å; T125-I173 WeakPolarHBondContact O-CA 3.4Å
126F97.3Very high96.4Very high7 Ų765.1 Ų65.13%0.03133%0.334CS..  trans-127.7137.7-176.7-62.3-78000110.5L4 V6 V20 V23 I28 F44 V47 F49 A121 I173L4-F126 HydrophobicContact CD2-CE1 3.93Å; V6-F126 HydrophobicContact CG1-CZ 4.24Å; V20-F126 HydrophobicContact CG2-CE1 4.12Å; V23-F126 HydrophobicContact CB-CB 4.46Å; V23-F126 HydrophobicContact CG1-CB 3.66Å; V23-F126 HydrophobicContact CG2-CB 3.88Å; V23-F126 HydrophobicContact CG2-CD1 4.48Å; V23-F126 HydrophobicContact CG2-CG 4.4Å; I28-F126 HydrophobicContact CD1-CE2 4.2Å; I28-F126 HydrophobicContact CD1-CZ 4.1Å; I28-F126 HydrophobicContact CG2-CB 4.47Å; I28-F126 HydrophobicContact CG2-CD2 3.75Å; I28-F126 HydrophobicContact CG2-CE2 4.05Å; I28-F126 HydrophobicContact CG2-CG 4.03Å; F44-F126 AromaticContact CD1-CD2 3.92Å; F44-F126 HydrophobicContact CD1-CD2 3.92Å; F44-F126 HydrophobicContact CD1-CE2 4.33Å; F44-F126 AromaticContact CE1-CD2 3.81Å; F44-F126 HydrophobicContact CE1-CD2 3.81Å; V47-F126 HydrophobicContact CG1-CE2 4.37Å; V47-F126 HydrophobicContact CG1-CZ 4.31Å; F49-F126 HydrophobicContact CE1-CE1 4.38Å; F49-F126 HydrophobicContact CE1-CZ 4.4Å; F49-F126 HydrophobicContact CZ-CE1 4.3Å; F49-F126 HydrophobicContact CZ-CZ 4.25Å; A121-F126 HydrophobicContact CB-CD2 4.46Å; A121-F126 HydrophobicContact CB-CE2 3.76Å; F126-I173 HydrophobicContact CD1-CG2 3.89Å; F126-I173 HydrophobicContact CE1-CG2 3.97Å
127H96.7Very high96.4Very high44 Ų4464.7 Ų64.720%0.20433%0.332CS..EExtended strand (participates in β ladder)trans-127.6129.4-178.9-48.5-59.5000110.6D124 I129 L171 S172 E175D124-H127 PolarHBondContact O-CE1 2.98Å; H127-I129 HydrophobicContact CB-CD1 4.36Å; H127-L171 WeakPolarHBondContact O-CA 3.39Å; H127-S172 PolarHBondContact N-O 3.09Å; H127-S172 PolarHBondContact O-N 3.14Å; H127-E175 PolarHBondContact CD2-N 2.97Å; H127-E175 VanDerWaalsContact NE2-CA 3.33Å; H127-E175 WeakPolarHBondContact NE2-CA 3.23Å; H127-E175 PolarHBondContact NE2-N 2.94Å
128K97.5Very high96.3Very high72 Ų7264.7 Ų64.731%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-112.2123.2173.6-176.5162.9173.9177.10109.4D22 V23 V169 I170 L171D22-K128 VanDerWaalsContact OD1-CE 3.23Å; D22-K128 WeakPolarHBondContact OD1-CE 3.33Å; D22-K128 IonicContact OD1-NZ 2.74Å; D22-K128 PolarHBondContact OD1-NZ 3.18Å; D22-K128 IonicContact OD2-NZ 3.48Å; D22-K128 PolarHBondContact OD2-NZ 2.88Å; V23-K128 HydrophobicContact CB-CB 4.2Å; V23-K128 HydrophobicContact CB-CD 4.37Å; V23-K128 HydrophobicContact CG1-CB 4.38Å; V23-K128 WeakPolarHBondContact O-CD 3.48Å; V23-K128 PolarHBondContact O-NZ 2.77Å; K128-V169 HydrophobicContact CD-CG1 4.49Å; K128-V169 HydrophobicContact CG-CG1 4.2Å; K128-I170 WeakPolarHBondContact CA-O 3.38Å; K128-L171 HydrophobicContact CB-CD2 3.95Å; K128-L171 HydrophobicContact CD-CD2 3.96Å; K128-L171 HydrophobicContact CG-CD2 3.72Å
129I97.8Very high96.1Very high13 Ų1370 Ų707%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-117.3135.4175-54.797.9000108.1H127 L131 I170 T177H127-I129 HydrophobicContact CB-CD1 4.36Å; I129-L131 HydrophobicContact CG2-CD2 4.18Å; I129-L131 HydrophobicContact CG2-CG 4.24Å; I129-I170 HydrophobicContact CB-CB 4.25Å; I129-I170 HydrophobicContact CD1-CG2 4.4Å; I129-I170 PolarHBondContact N-O 3.42Å; I129-I170 PolarHBondContact O-N 2.98Å; I129-T177 HydrophobicContact CD1-CG2 4.19Å
130K97.9Very high95.9Very high102 Ų10262 Ų6244%0.44331%0.312SS..EExtended strand (participates in β ladder)trans-114.4131.2176-66.7177.3160.6-147.10108.3
131L98Very high95.8Very high15 Ų1559 Ų598%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-130.7130177.4-60.9176.7000109.6I129 Q167 L168 I170 A181 I185I129-L131 HydrophobicContact CG2-CD2 4.18Å; I129-L131 HydrophobicContact CG2-CG 4.24Å; L131-Q167 CarbonylContact O-C 3.55Å; L131-Q167 WeakPolarHBondContact O-CA 3.48Å; L131-L168 PolarHBondContact N-O 3.38Å; L131-L168 PolarHBondContact O-N 3.04Å; L131-I170 HydrophobicContact CD1-CD1 3.74Å; L131-I170 HydrophobicContact CG-CD1 4.4Å; L131-A181 HydrophobicContact CD1-CB 4.12Å; L131-I185 HydrophobicContact CD1-CB 3.93Å; L131-I185 HydrophobicContact CD1-CD1 3.82Å; L131-I185 HydrophobicContact CD1-CG1 3.78Å; L131-I185 HydrophobicContact CD1-CG2 4.45Å
132D98Very high95.7Very high116 Ų11661.6 Ų61.662%0.6231%0.314SS*.EExtended strand (participates in β ladder)trans-67.2137.5-177.8-57.2-47.2000112Q167 F189D132-Q167 WeakPolarHBondContact OD1-CG 3.44Å; D132-Q167 PolarHBondContact OD1-NE2 3.07Å; D132-F189 WeakPolarHBondContact O-CZ 3.16Å
133V97.9Very high95.5Very high6 Ų664.5 Ų64.54%0.03632%0.321CS..PPolyproline II helixtrans-103.1119.8-179.1179.80000110.4L137 R138 C141 Y161 Y166 L168 F189V133-L137 HydrophobicContact CG1-CB 4.19Å; V133-R138 HydrophobicContact CG1-CG 4.12Å; V133-C141 HydrophobicContact CG1-CB 4.17Å; V133-Y161 HydrophobicContact CB-CD2 4.37Å; V133-Y161 HydrophobicContact CB-CE2 3.92Å; V133-Y161 HydrophobicContact CG1-CE2 4.13Å; V133-Y161 HydrophobicContact CG2-CD2 3.91Å; V133-Y161 HydrophobicContact CG2-CE2 3.95Å; V133-Y166 WeakPolarHBondContact CB-O 3.49Å; V133-Y166 PolarHBondContact N-O 2.86Å; V133-L168 HydrophobicContact CG2-CB 3.84Å; V133-F189 HydrophobicContact CB-CZ 4.48Å; V133-F189 HydrophobicContact CG1-CE1 4.42Å; V133-F189 HydrophobicContact CG2-CE1 4.36Å; V133-F189 HydrophobicContact CG2-CZ 4.15Å
134P96.8Very high95.3Very high42 Ų4262.3 Ų62.327%0.27331%0.313SS..PPolyproline II helixtrans-53.2141172.4-28.736.8000112.6D136 L137 R138 F189P134-D136 VanDerWaalsContact C-N 3.27Å; P134-D136 WeakPolarHBondContact CB-OD1 3.3Å; P134-D136 PolarHBondContact O-N 3.07Å; P134-L137 PolarHBondContact O-N 2.88Å; P134-R138 PolarHBondContact O-N 3.49Å; P134-F189 VanDerWaalsContact CD-CE2 3.46Å; P134-F189 HydrophobicContact CG-CD2 4.17Å; P134-F189 HydrophobicContact CG-CE2 4.13Å
135E94.9Very high95.2Very high146 Ų14660.3 Ų60.368%0.68231%0.314SS*.G310 helixtrans-55.2-40.3-174.4-178.9156.2-126.700113.5L137 R138E135-L137 PolarHBondContact O-N 2.79Å; E135-L137 VanDerWaalsContact O-N 3.09Å; E135-R138 PolarHBondContact O-N 3.25Å; E135-R138 IonicContact OE1-NH1 3.63Å; E135-R138 PolarHBondContact OE1-NH1 3.22Å
136D93.6Very high95Very high86 Ų8659.9 Ų59.946%0.4631%0.313SS..G310 helixtrans-63.6-14.1177.970.1-58.4000114.2P134 R193P134-D136 VanDerWaalsContact C-N 3.27Å; P134-D136 WeakPolarHBondContact CB-OD1 3.3Å; P134-D136 PolarHBondContact O-N 3.07Å; D136-R193 IonicContact OD1-CZ 3.58Å; D136-R193 IonicContact OD1-NE 3.61Å; D136-R193 IonicContact OD1-NH2 3.38Å; D136-R193 PolarHBondContact OD1-NH2 3.04Å; D136-R193 IonicContact OD2-CZ 2.77Å; D136-R193 IonicContact OD2-NE 3.9Å; D136-R193 PolarHBondContact OD2-NE 3.18Å; D136-R193 IonicContact OD2-NH2 3.55Å; D136-R193 PolarHBondContact OD2-NH2 3.22Å; D136-R193 VanDerWaalsContact OD2-NH2 3.16Å
137L95.1Very high95Very high0 Ų059.7 Ų59.70%031%0.312CS..G310 helixtrans-111.4-10.6-178.5-70.1-179.1000114.7V133 P134 E135 Q139 M140 C141 F189 L192 R193V133-L137 HydrophobicContact CG1-CB 4.19Å; P134-L137 PolarHBondContact O-N 2.88Å; E135-L137 PolarHBondContact O-N 2.79Å; E135-L137 VanDerWaalsContact O-N 3.09Å; L137-Q139 VanDerWaalsContact C-N 3.34Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-M140 WeakPolarHBondContact O-CB 3.2Å; L137-M140 PolarHBondContact O-N 2.86Å; L137-C141 PolarHBondContact O-N 3.06Å; L137-C141 PolarHBondContact O-SG 3.1Å; L137-C141 VanDerWaalsContact O-SG 3.39Å; L137-F189 HydrophobicContact CD1-CB 3.55Å; L137-F189 HydrophobicContact CD1-CD1 3.6Å; L137-F189 HydrophobicContact CD1-CE1 4.46Å; L137-F189 HydrophobicContact CD1-CG 3.71Å; L137-L192 HydrophobicContact CD1-CB 4.45Å; L137-L192 HydrophobicContact CD2-CB 3.8Å; L137-R193 HydrophobicContact CD1-CG 4.12Å; L137-R193 HydrophobicContact CD2-CG 3.7Å; L137-R193 HydrophobicContact CG-CG 4.14Å
138R94.9Very high94.9Very high63 Ų6364.8 Ų64.824%0.23833%0.334CS..Hα-helixtrans-52.9-47.2-175.6-68.8177.3-178.6156.3-2.7112.9V133 P134 E135 M140 C141 A142 Y161V133-R138 HydrophobicContact CG1-CG 4.12Å; P134-R138 PolarHBondContact O-N 3.49Å; E135-R138 PolarHBondContact O-N 3.25Å; E135-R138 IonicContact OE1-NH1 3.63Å; E135-R138 PolarHBondContact OE1-NH1 3.22Å; R138-M140 VanDerWaalsContact C-N 3.28Å; R138-M140 PolarHBondContact O-N 2.85Å; R138-C141 PolarHBondContact O-N 3.26Å; R138-A142 PolarHBondContact O-N 2.86Å; R138-Y161 WeakPolarHBondContact CB-OH 3.4Å; R138-Y161 HydrophobicContact CG-CE2 4.39Å; R138-Y161 VanDerWaalsContact CG-OH 3.29Å; R138-Y161 WeakPolarHBondContact CG-OH 3.33Å
139Q92.2Very high94.8Very high163 Ų16367.6 Ų67.676%0.76235%0.352SS*.Hα-helixtrans-64.7-29.8179.4-165.4-173.620.500113.2L137L137-Q139 VanDerWaalsContact C-N 3.34Å; L137-Q139 PolarHBondContact O-N 3.01Å
140M91.4Very high94.8Very high12 Ų1267.5 Ų67.56%0.05935%0.351CS..Hα-helixtrans-78.6-36.8175.3-75.8-70.4-76.100111.8L137 R138 A142 K143 K195 L196 I199L137-M140 WeakPolarHBondContact O-CB 3.2Å; L137-M140 PolarHBondContact O-N 2.86Å; R138-M140 VanDerWaalsContact C-N 3.28Å; R138-M140 PolarHBondContact O-N 2.85Å; M140-A142 VanDerWaalsContact C-N 3.32Å; M140-K143 PolarHBondContact O-N 2.86Å; M140-K195 HydrophobicContact CE-CB 4.27Å; M140-K195 HydrophobicContact CE-CD 4.24Å; M140-K195 HydrophobicContact CE-CG 4.1Å; M140-L196 HydrophobicContact CE-CB 4.24Å; M140-L196 HydrophobicContact CG-CB 4.09Å; M140-L196 HydrophobicContact CG-CD1 3.89Å; M140-L196 HydrophobicContact CG-CD2 4.16Å; M140-L196 HydrophobicContact CG-CG 4.27Å; M140-L196 HydrophobicContact SD-CB 4.39Å; M140-L196 HydrophobicContact SD-CD1 3.97Å; M140-I199 HydrophobicContact CE-CD1 3.97Å; M140-I199 HydrophobicContact SD-CD1 4.35Å
141C95.5Very high94.7Very high1 Ų164.4 Ų64.41%0.00734%0.338CS..Hα-helixtrans-70.4-26177.7-65.20000113.2V133 L137 R138 K143 H147 Y161V133-C141 HydrophobicContact CG1-CB 4.17Å; L137-C141 PolarHBondContact O-N 3.06Å; L137-C141 PolarHBondContact O-SG 3.1Å; L137-C141 VanDerWaalsContact O-SG 3.39Å; R138-C141 PolarHBondContact O-N 3.26Å; C141-K143 PolarHBondContact O-N 2.93Å; C141-H147 VanDerWaalsContact CA-NE2 3.32Å; C141-H147 WeakPolarHBondContact CA-NE2 3.44Å; C141-H147 PolarHBondContact O-NE2 3.03Å; C141-H147 VanDerWaalsContact O-NE2 3.14Å; C141-Y161 HydrophobicContact CB-CD2 3.8Å; C141-Y161 HydrophobicContact CB-CE2 4.45Å; C141-Y161 HydrophobicContact CB-CG 3.88Å; C141-Y161 WeakPolarHBondContact O-CB 3.42Å
142A94.4Very high94.6Very high67 Ų6772.1 Ų72.155%0.55437%0.371SS*.THydrogen-bonded Turntrans-58.1-16.2172.900000114.2R138 M140 Y161R138-A142 PolarHBondContact O-N 2.86Å; M140-A142 VanDerWaalsContact C-N 3.32Å; A142-Y161 HydrophobicContact CB-CD1 4.14Å
143K92.3Very high94.5Very high131 Ų13169.1 Ų69.157%0.5736%0.362SS*.  trans-95.4101.2176.1-64.7173.6-177.6172.60109.6M140 C141 A145 A146M140-K143 PolarHBondContact O-N 2.86Å; C141-K143 PolarHBondContact O-N 2.93Å; K143-A145 PolarHBondContact O-N 2.88Å; K143-A146 HydrophobicContact CB-CB 4.48Å; K143-A146 WeakPolarHBondContact O-CB 3.36Å; K143-A146 PolarHBondContact O-N 3.09Å
144E88.9Confident94.5Very high67 Ų6768.8 Ų68.831%0.31336%0.36SS..G310 helixtrans-52.2-36.7-177.9-160.9-166.9154.700113.5M1 A146 H147 T160M1-E144 HydrophobicContact CE-CG 4.23Å; M1-E144 VanDerWaalsContact CE-OE1 3.22Å; M1-E144 WeakPolarHBondContact CE-OE1 3.49Å; M1-E144 WeakPolarHBondContact CE-OE2 3.33Å; E144-A146 PolarHBondContact O-N 2.91Å; E144-H147 PolarHBondContact O-N 3.37Å; E144-T160 HydrophobicContact CG-CG2 4.26Å
145A91.7Very high94.5Very high85 Ų8567.8 Ų67.870%0.70236%0.358SS*.G310 helixtrans-58.2-21175.600000114.3K143 H147K143-A145 PolarHBondContact O-N 2.88Å; A145-H147 PolarHBondContact O-N 3.32Å
146A93.1Very high94.6Very high20 Ų2061.5 Ų61.517%0.16533%0.33CS..G310 helixtrans-69-18.517400000113.2K143 E144 L192K143-A146 HydrophobicContact CB-CB 4.48Å; K143-A146 WeakPolarHBondContact O-CB 3.36Å; K143-A146 PolarHBondContact O-N 3.09Å; E144-A146 PolarHBondContact O-N 2.91Å; A146-L192 HydrophobicContact CB-CD2 4.05Å
147H95.9Very high94.7Very high2 Ų258.8 Ų58.81%0.00931%0.314CS..G310 helixtrans-101.7-1.3-176.1-58.7-78000114.1C141 E144 A145 D149 F150 K151 V159 L168 H188C141-H147 VanDerWaalsContact CA-NE2 3.32Å; C141-H147 WeakPolarHBondContact CA-NE2 3.44Å; C141-H147 PolarHBondContact O-NE2 3.03Å; C141-H147 VanDerWaalsContact O-NE2 3.14Å; E144-H147 PolarHBondContact O-N 3.37Å; A145-H147 PolarHBondContact O-N 3.32Å; H147-D149 VanDerWaalsContact C-N 3.34Å; H147-D149 PolarHBondContact O-N 3.36Å; H147-F150 PolarHBondContact O-N 2.92Å; H147-K151 VanDerWaalsContact O-CB 3.29Å; H147-K151 WeakPolarHBondContact O-CB 3.35Å; H147-K151 PolarHBondContact O-N 2.93Å; H147-V159 HydrophobicContact CB-CB 4Å; H147-V159 HydrophobicContact CB-CG1 3.7Å; H147-L168 WeakPolarHBondContact CE1-CD1 3.06Å; H147-H188 AromaticContact CE1-NE2 3.45Å; H147-H188 PolarHBondContact CE1-NE2 2.73Å; H147-H188 AromaticContact ND1-CE1 3.77Å; H147-H188 AromaticContact ND1-NE2 3.07Å; H147-H188 PolarHBondContact ND1-NE2 3.31Å
148K94.9Very high94.7Very high152 Ų15259.7 Ų59.766%0.66132%0.321SS*.Hα-helixtrans-52.1-46.8-173.8-174.6-178.2178.1-176.10113.7K152K148-K152 PolarHBondContact O-N 3.44Å
149D95.1Very high94.8Very high130 Ų13056.8 Ų56.870%0.69531%0.31SS*.Hα-helixtrans-76.6-36.7-176.8-58.4-40.7000111.8H147 K152 A153H147-D149 VanDerWaalsContact C-N 3.34Å; H147-D149 PolarHBondContact O-N 3.36Å; D149-K152 PolarHBondContact O-N 2.82Å; D149-A153 WeakPolarHBondContact O-CB 3.1Å; D149-A153 PolarHBondContact O-N 3.4Å
150F97.5Very high95.1Very high12 Ų1251.4 Ų51.45%0.05329%0.288CS..Hα-helixtrans-63.9-46.5173.9179.9-108.3000111.6H147 K152 A153 V154 V159 L168 I170 L184 I185 H188H147-F150 PolarHBondContact O-N 2.92Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.28Å; F150-A153 PolarHBondContact O-N 2.99Å; F150-V154 HydrophobicContact CD2-CG1 4.12Å; F150-V154 HydrophobicContact CE1-CG1 4.18Å; F150-V154 HydrophobicContact CE2-CG1 3.75Å; F150-V154 HydrophobicContact CZ-CG1 3.78Å; F150-V154 WeakPolarHBondContact O-CG2 3.34Å; F150-V154 PolarHBondContact O-N 3.43Å; F150-V159 HydrophobicContact CD1-CG1 4.23Å; F150-L168 HydrophobicContact CD1-CD2 4.41Å; F150-L168 HydrophobicContact CE1-CD2 4.02Å; F150-I170 HydrophobicContact CE1-CD1 3.8Å; F150-I170 HydrophobicContact CZ-CD1 4.28Å; F150-L184 HydrophobicContact CD2-CB 4.33Å; F150-L184 HydrophobicContact CE2-CB 3.77Å; F150-I185 HydrophobicContact CE1-CD1 4.28Å; F150-I185 HydrophobicContact CE2-CD1 4.47Å; F150-I185 HydrophobicContact CZ-CB 4.39Å; F150-I185 HydrophobicContact CZ-CD1 3.86Å; F150-H188 HydrophobicContact CD2-CB 3.6Å; F150-H188 AromaticContact CD2-CG 3.77Å; F150-H188 HydrophobicContact CE2-CB 3.91Å; F150-H188 HydrophobicContact CG-CB 4.15Å; F150-H188 AromaticContact CG-CG 3.79Å; F150-H188 AromaticContact CG-ND1 3.97Å
151K96.7Very high95.4Very high37 Ų3752.6 Ų52.616%0.16129%0.292CS..Hα-helixtrans-50.5-49.1172.7177.8168.4116.2161.50111.6H147 G155 A156 F157 V159H147-K151 VanDerWaalsContact O-CB 3.29Å; H147-K151 WeakPolarHBondContact O-CB 3.35Å; H147-K151 PolarHBondContact O-N 2.93Å; K151-G155 PolarHBondContact O-N 3.01Å; K151-G155 VanDerWaalsContact O-N 3.13Å; K151-A156 HydrophobicContact CG-CB 4.33Å; K151-A156 WeakPolarHBondContact CG-O 3.42Å; K151-A156 PolarHBondContact O-N 2.98Å; K151-F157 WeakPolarHBondContact CD-O 3.47Å; K151-F157 WeakPolarHBondContact CE-O 3.4Å; K151-F157 PolarHBondContact NZ-O 3.35Å; K151-V159 HydrophobicContact CB-CB 4.18Å; K151-V159 HydrophobicContact CB-CG2 3.61Å; K151-V159 HydrophobicContact CD-CG2 4.35Å; K151-V159 HydrophobicContact CG-CG2 3.91Å
152K96.1Very high95.4Very high176 Ų17654 Ų5477%0.76530%0.3SS*.Hα-helixtrans-63.5-43.3175.9-173.3177.2179.91790112.4K148 D149 F150 G155K148-K152 PolarHBondContact O-N 3.44Å; D149-K152 PolarHBondContact O-N 2.82Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.28Å; K152-G155 PolarHBondContact O-N 3.43Å
153A96.7Very high95.5Very high53 Ų5354.8 Ų54.844%0.43830%0.3SS..Hα-helixtrans-66.9-38.3-178.400000113.4D149 F150 G155 L184D149-A153 WeakPolarHBondContact O-CB 3.1Å; D149-A153 PolarHBondContact O-N 3.4Å; F150-A153 PolarHBondContact O-N 2.99Å; A153-G155 VanDerWaalsContact C-N 3.33Å; A153-L184 HydrophobicContact CB-CD1 4Å
154V97.4Very high95.7Very high0 Ų056.4 Ų56.40%031%0.309CS..Hα-helixtrans-80.9-14.2176.9-53.90000112.9F150 A156 I170 T177 R180 A181 L184F150-V154 HydrophobicContact CD2-CG1 4.12Å; F150-V154 HydrophobicContact CE1-CG1 4.18Å; F150-V154 HydrophobicContact CE2-CG1 3.75Å; F150-V154 HydrophobicContact CZ-CG1 3.78Å; F150-V154 WeakPolarHBondContact O-CG2 3.34Å; F150-V154 PolarHBondContact O-N 3.43Å; V154-A156 HydrophobicContact CG2-CB 3.65Å; V154-I170 HydrophobicContact CG2-CG2 4.3Å; V154-T177 HydrophobicContact CB-CG2 4.07Å; V154-T177 HydrophobicContact CG2-CG2 3.94Å; V154-T177 WeakPolarHBondContact O-CA 3.13Å; V154-T177 WeakPolarHBondContact O-CB 3.25Å; V154-T177 WeakPolarHBondContact O-CG2 3.26Å; V154-T177 PolarHBondContact O-OG1 2.71Å; V154-R180 HydrophobicContact CB-CB 4.23Å; V154-R180 HydrophobicContact CG1-CB 4.4Å; V154-A181 HydrophobicContact CG1-CB 4.25Å; V154-L184 HydrophobicContact CG1-CD1 4.16Å
155G96Very high96Very high21 Ų2157.3 Ų57.322%0.21632%0.316CS..THydrogen-bonded Turntrans7632.5-178.200000113.6K151 K152 A153 S172 N174 T177K151-G155 PolarHBondContact O-N 3.01Å; K151-G155 VanDerWaalsContact O-N 3.13Å; K152-G155 PolarHBondContact O-N 3.43Å; A153-G155 VanDerWaalsContact C-N 3.33Å; G155-S172 PolarHBondContact O-OG 3.38Å; G155-S172 VanDerWaalsContact O-OG 3.1Å; G155-N174 PolarHBondContact O-ND2 3.12Å; G155-T177 PolarHBondContact O-OG1 2.74Å
156A96.9Very high96.3Very high13 Ų1358.7 Ų58.711%0.10730%0.304CS..  trans-93.1153.9177.700000111.6K151 V154 V159 I170 L171 T177K151-A156 HydrophobicContact CG-CB 4.33Å; K151-A156 WeakPolarHBondContact CG-O 3.42Å; K151-A156 PolarHBondContact O-N 2.98Å; V154-A156 HydrophobicContact CG2-CB 3.65Å; A156-V159 HydrophobicContact CB-CG2 4.1Å; A156-I170 HydrophobicContact CB-CG2 3.6Å; A156-L171 WeakPolarHBondContact CB-O 3.04Å; A156-T177 HydrophobicContact CB-CG2 4.17Å
157F95.9Very high96.5Very high29 Ų2959.4 Ų59.413%0.12730%0.304CS..SBendtrans-90.8-27.6171.766.3-98.3000112.2L4 V20 K151 L171 I173L4-F157 HydrophobicContact CB-CB 4.14Å; L4-F157 HydrophobicContact CB-CD1 4.36Å; L4-F157 HydrophobicContact CB-CD2 3.6Å; L4-F157 HydrophobicContact CB-CE2 4Å; L4-F157 HydrophobicContact CB-CG 3.8Å; L4-F157 HydrophobicContact CD2-CD1 3.53Å; L4-F157 HydrophobicContact CD2-CD2 4.13Å; L4-F157 HydrophobicContact CD2-CE1 3.47Å; L4-F157 VanDerWaalsContact CD2-CE1 3.47Å; L4-F157 HydrophobicContact CD2-CE2 4.08Å; L4-F157 HydrophobicContact CD2-CG 3.87Å; L4-F157 HydrophobicContact CD2-CZ 3.75Å; L4-F157 HydrophobicContact CG-CG 4.41Å; V20-F157 HydrophobicContact CB-CE2 4.03Å; V20-F157 HydrophobicContact CB-CZ 4.21Å; V20-F157 HydrophobicContact CG1-CE2 4.03Å; V20-F157 HydrophobicContact CG1-CZ 3.88Å; K151-F157 WeakPolarHBondContact CD-O 3.47Å; K151-F157 WeakPolarHBondContact CE-O 3.4Å; K151-F157 PolarHBondContact NZ-O 3.35Å; F157-L171 VanDerWaalsContact CD1-O 3.3Å; F157-L171 WeakPolarHBondContact CD1-O 3.49Å; F157-L171 HydrophobicContact CD2-CB 4.33Å; F157-L171 VanDerWaalsContact CE1-C 3.49Å; F157-L171 HydrophobicContact CE1-CB 3.88Å; F157-L171 HydrophobicContact CE2-CB 3.63Å; F157-L171 HydrophobicContact CE2-CD1 4.11Å; F157-L171 HydrophobicContact CZ-CB 3.38Å; F157-L171 HydrophobicContact CZ-CD1 4.3Å; F157-L171 HydrophobicContact CZ-CG 4.48Å; F157-L171 PolarHBondContact N-O 3.24Å; F157-I173 HydrophobicContact CD1-CG2 4.26Å; F157-I173 HydrophobicContact CE1-CG2 4.07Å
158S96.1Very high96.6Very high20 Ų2059.3 Ų59.314%0.1430%0.304CS..EExtended strand (participates in β ladder)trans-131.8142.6174-167.30000111.7I170 L171S158-I170 WeakPolarHBondContact O-CA 3.26Å; S158-L171 PolarHBondContact N-O 3.37Å; S158-L171 PolarHBondContact O-N 3.21Å
159V97.1Very high96.7Very high1 Ų152.7 Ų52.71%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-143.7106.1168.1-1800000107.8H147 F150 K151 A156 L168 V169 I170H147-V159 HydrophobicContact CB-CB 4Å; H147-V159 HydrophobicContact CB-CG1 3.7Å; F150-V159 HydrophobicContact CD1-CG1 4.23Å; K151-V159 HydrophobicContact CB-CB 4.18Å; K151-V159 HydrophobicContact CB-CG2 3.61Å; K151-V159 HydrophobicContact CD-CG2 4.35Å; K151-V159 HydrophobicContact CG-CG2 3.91Å; A156-V159 HydrophobicContact CB-CG2 4.1Å; V159-L168 HydrophobicContact CG1-CD1 4.01Å; V159-L168 HydrophobicContact CG1-CD2 3.76Å; V159-L168 HydrophobicContact CG1-CG 3.78Å; V159-V169 WeakPolarHBondContact CA-O 3.38Å; V159-I170 HydrophobicContact CG1-CG1 4.2Å; V159-I170 HydrophobicContact CG2-CB 4.5Å; V159-I170 HydrophobicContact CG2-CG1 4.16Å; V159-I170 HydrophobicContact CG2-CG2 4.16Å
160T96.8Very high96.9Very high50 Ų5046.5 Ų46.531%0.30724%0.242SC..EExtended strand (participates in β ladder)trans-125.1160.3-176.552.50000110.8E144 L168 V169E144-T160 HydrophobicContact CG-CG2 4.26Å; T160-L168 CarbonylContact O-C 3.59Å; T160-L168 WeakPolarHBondContact O-CA 3.44Å; T160-L168 WeakPolarHBondContact O-CD1 3.29Å; T160-V169 PolarHBondContact N-O 3.39Å; T160-V169 PolarHBondContact O-N 3.27Å
161Y97.6Very high96.8Very high37 Ų3746 Ų4615%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-101.4126.2174.3173.8-109.2000110.1V133 R138 C141 A142 P163 Q167V133-Y161 HydrophobicContact CB-CD2 4.37Å; V133-Y161 HydrophobicContact CB-CE2 3.92Å; V133-Y161 HydrophobicContact CG1-CE2 4.13Å; V133-Y161 HydrophobicContact CG2-CD2 3.91Å; V133-Y161 HydrophobicContact CG2-CE2 3.95Å; R138-Y161 WeakPolarHBondContact CB-OH 3.4Å; R138-Y161 HydrophobicContact CG-CE2 4.39Å; R138-Y161 VanDerWaalsContact CG-OH 3.29Å; R138-Y161 WeakPolarHBondContact CG-OH 3.33Å; C141-Y161 HydrophobicContact CB-CD2 3.8Å; C141-Y161 HydrophobicContact CB-CE2 4.45Å; C141-Y161 HydrophobicContact CB-CG 3.88Å; C141-Y161 WeakPolarHBondContact O-CB 3.42Å; A142-Y161 HydrophobicContact CB-CD1 4.14Å; Y161-P163 HydrophobicContact CD1-CB 4.47Å; Y161-P163 HydrophobicContact CE1-CB 3.93Å; Y161-P163 WeakPolarHBondContact O-CD 3.33Å; Y161-Q167 WeakPolarHBondContact CD2-O 3.29Å
162D96.6Very high96.9Very high30 Ų3044.2 Ų44.216%0.1623%0.233CC..EExtended strand (participates in β ladder)trans-90.5110.3172.1176-10.7000108.7E164 N165 Y166 Q167 V169D162-E164 VanDerWaalsContact C-N 3.34Å; D162-E164 WeakPolarHBondContact OD1-CB 3.5Å; D162-E164 PolarHBondContact OD1-N 2.95Å; D162-N165 PolarHBondContact OD1-N 3.17Å; D162-N165 VanDerWaalsContact OD1-N 3.09Å; D162-N165 WeakPolarHBondContact OD2-CB 3.29Å; D162-N165 PolarHBondContact OD2-ND2 2.98Å; D162-Y166 WeakPolarHBondContact O-CA 3.15Å; D162-Y166 PolarHBondContact O-N 3.46Å; D162-Y166 VanDerWaalsContact O-N 3.08Å; D162-Q167 PolarHBondContact N-O 3.33Å; D162-Q167 PolarHBondContact O-N 3.04Å; D162-Q167 VanDerWaalsContact O-N 3.14Å; D162-V169 HydrophobicContact CB-CG2 3.92Å
163P96.1Very high96.9Very high85 Ų8539.1 Ų39.155%0.55221%0.213SC*.THydrogen-bonded Turntrans-77.5-16.3-178.933.5-36.1000113.7Y161 Y166Y161-P163 HydrophobicContact CD1-CB 4.47Å; Y161-P163 HydrophobicContact CE1-CB 3.93Å; Y161-P163 WeakPolarHBondContact O-CD 3.33Å; P163-Y166 WeakPolarHBondContact O-CE1 3.49Å
164E96.1Very high96.9Very high165 Ų16540.1 Ų40.177%0.77121%0.211SC*.THydrogen-bonded Turntrans-81.7-44.9-178.9-59.6-174.6170.200110.7D162D162-E164 VanDerWaalsContact C-N 3.34Å; D162-E164 WeakPolarHBondContact OD1-CB 3.5Å; D162-E164 PolarHBondContact OD1-N 2.95Å
165N96.3Very high96.7Very high85 Ų8547.8 Ų47.846%0.45525%0.247SC..THydrogen-bonded Turntrans-94.4-2.3178.8-61.2-79.4000113.4D162 Q167D162-N165 PolarHBondContact OD1-N 3.17Å; D162-N165 VanDerWaalsContact OD1-N 3.09Å; D162-N165 WeakPolarHBondContact OD2-CB 3.29Å; D162-N165 PolarHBondContact OD2-ND2 2.98Å; N165-Q167 VanDerWaalsContact C-N 3.29Å; N165-Q167 HydrophobicContact CB-CB 4.42Å; N165-Q167 HydrophobicContact CB-CG 4.41Å; N165-Q167 PolarHBondContact O-N 3.48Å
166Y97.1Very high96.7Very high115 Ų11550.4 Ų50.445%0.45126%0.259SS..THydrogen-bonded Turntrans56.637.8-175.4-48.3-66.7000113.8V133 D162 P163V133-Y166 WeakPolarHBondContact CB-O 3.49Å; V133-Y166 PolarHBondContact N-O 2.86Å; D162-Y166 WeakPolarHBondContact O-CA 3.15Å; D162-Y166 PolarHBondContact O-N 3.46Å; D162-Y166 VanDerWaalsContact O-N 3.08Å; P163-Y166 WeakPolarHBondContact O-CE1 3.49Å
167Q97.8Very high96.8Very high35 Ų3549.8 Ų49.816%0.16425%0.254CS..EExtended strand (participates in β ladder)trans-120.3151.5-170.8-82174.1-9.500112.6L131 D132 Y161 D162 N165L131-Q167 CarbonylContact O-C 3.55Å; L131-Q167 WeakPolarHBondContact O-CA 3.48Å; D132-Q167 WeakPolarHBondContact OD1-CG 3.44Å; D132-Q167 PolarHBondContact OD1-NE2 3.07Å; Y161-Q167 WeakPolarHBondContact CD2-O 3.29Å; D162-Q167 PolarHBondContact N-O 3.33Å; D162-Q167 PolarHBondContact O-N 3.04Å; D162-Q167 VanDerWaalsContact O-N 3.14Å; N165-Q167 VanDerWaalsContact C-N 3.29Å; N165-Q167 HydrophobicContact CB-CB 4.42Å; N165-Q167 HydrophobicContact CB-CG 4.41Å; N165-Q167 PolarHBondContact O-N 3.48Å
168L97.6Very high96.8Very high0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-92.9115.5167.5-160.673.1000108.3L131 V133 H147 F150 V159 T160 I185L131-L168 PolarHBondContact N-O 3.38Å; L131-L168 PolarHBondContact O-N 3.04Å; V133-L168 HydrophobicContact CG2-CB 3.84Å; H147-L168 WeakPolarHBondContact CE1-CD1 3.06Å; F150-L168 HydrophobicContact CD1-CD2 4.41Å; F150-L168 HydrophobicContact CE1-CD2 4.02Å; V159-L168 HydrophobicContact CG1-CD1 4.01Å; V159-L168 HydrophobicContact CG1-CD2 3.76Å; V159-L168 HydrophobicContact CG1-CG 3.78Å; T160-L168 CarbonylContact O-C 3.59Å; T160-L168 WeakPolarHBondContact O-CA 3.44Å; T160-L168 WeakPolarHBondContact O-CD1 3.29Å; L168-I185 HydrophobicContact CD2-CD1 4.06Å
169V97.8Very high96.8Very high12 Ų1257.3 Ų57.37%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-95.9123.1-179.6-177.20000108.8K128 V159 T160 D162 L171K128-V169 HydrophobicContact CD-CG1 4.49Å; K128-V169 HydrophobicContact CG-CG1 4.2Å; V159-V169 WeakPolarHBondContact CA-O 3.38Å; T160-V169 PolarHBondContact N-O 3.39Å; T160-V169 PolarHBondContact O-N 3.27Å; D162-V169 HydrophobicContact CB-CG2 3.92Å; V169-L171 HydrophobicContact CG1-CD2 3.96Å; V169-L171 HydrophobicContact CG1-CG 4.47Å
170I97.9Very high96.9Very high0 Ų062.8 Ų62.80%031%0.31CS..EExtended strand (participates in β ladder)trans-118122.3-177-57.4171.9000107.8K128 I129 L131 F150 V154 A156 S158 V159 T177 A181K128-I170 WeakPolarHBondContact CA-O 3.38Å; I129-I170 HydrophobicContact CB-CB 4.25Å; I129-I170 HydrophobicContact CD1-CG2 4.4Å; I129-I170 PolarHBondContact N-O 3.42Å; I129-I170 PolarHBondContact O-N 2.98Å; L131-I170 HydrophobicContact CD1-CD1 3.74Å; L131-I170 HydrophobicContact CG-CD1 4.4Å; F150-I170 HydrophobicContact CE1-CD1 3.8Å; F150-I170 HydrophobicContact CZ-CD1 4.28Å; V154-I170 HydrophobicContact CG2-CG2 4.3Å; A156-I170 HydrophobicContact CB-CG2 3.6Å; S158-I170 WeakPolarHBondContact O-CA 3.26Å; V159-I170 HydrophobicContact CG1-CG1 4.2Å; V159-I170 HydrophobicContact CG2-CB 4.5Å; V159-I170 HydrophobicContact CG2-CG1 4.16Å; V159-I170 HydrophobicContact CG2-CG2 4.16Å; I170-T177 HydrophobicContact CG2-CG2 3.91Å; I170-A181 HydrophobicContact CD1-CB 3.65Å
171L97.4Very high96.9Very high1 Ų160.4 Ų60.41%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-113129.8177.9-48.7178.7000110.4K21 V23 H127 K128 A156 F157 S158 V169K21-L171 WeakPolarHBondContact O-CD1 3.49Å; V23-L171 HydrophobicContact CB-CD2 4.23Å; V23-L171 HydrophobicContact CG2-CD2 4.1Å; H127-L171 WeakPolarHBondContact O-CA 3.39Å; K128-L171 HydrophobicContact CB-CD2 3.95Å; K128-L171 HydrophobicContact CD-CD2 3.96Å; K128-L171 HydrophobicContact CG-CD2 3.72Å; A156-L171 WeakPolarHBondContact CB-O 3.04Å; F157-L171 VanDerWaalsContact CD1-O 3.3Å; F157-L171 WeakPolarHBondContact CD1-O 3.49Å; F157-L171 HydrophobicContact CD2-CB 4.33Å; F157-L171 VanDerWaalsContact CE1-C 3.49Å; F157-L171 HydrophobicContact CE1-CB 3.88Å; F157-L171 HydrophobicContact CE2-CB 3.63Å; F157-L171 HydrophobicContact CE2-CD1 4.11Å; F157-L171 HydrophobicContact CZ-CB 3.38Å; F157-L171 HydrophobicContact CZ-CD1 4.3Å; F157-L171 HydrophobicContact CZ-CG 4.48Å; F157-L171 PolarHBondContact N-O 3.24Å; S158-L171 PolarHBondContact N-O 3.37Å; S158-L171 PolarHBondContact O-N 3.21Å; V169-L171 HydrophobicContact CG1-CD2 3.96Å; V169-L171 HydrophobicContact CG1-CG 4.47Å
172S97.3Very high96.9Very high0 Ų063.8 Ų63.80%031%0.313CS..EExtended strand (participates in β ladder)trans-144159.5-176.5-167.20000112.5H127 G155 N174 T177H127-S172 PolarHBondContact N-O 3.09Å; H127-S172 PolarHBondContact O-N 3.14Å; G155-S172 PolarHBondContact O-OG 3.38Å; G155-S172 VanDerWaalsContact O-OG 3.1Å; S172-N174 PolarHBondContact OG-N 3.32Å; S172-T177 WeakPolarHBondContact OG-CB 3.41Å; S172-T177 PolarHBondContact OG-OG1 2.75Å
173I96.8Very high97Very high70 Ų7069 Ų6936%0.35934%0.338SS..SBendtrans-105.25.1166.561.7173.2000111.8L4 F49 T125 F126 F157L4-I173 HydrophobicContact CD2-CG2 3.65Å; F49-I173 HydrophobicContact CE1-CG2 4.23Å; F49-I173 HydrophobicContact CZ-CD1 4.49Å; F49-I173 HydrophobicContact CZ-CG2 3.89Å; T125-I173 WeakPolarHBondContact O-CA 3.4Å; F126-I173 HydrophobicContact CD1-CG2 3.89Å; F126-I173 HydrophobicContact CE1-CG2 3.97Å; F157-I173 HydrophobicContact CD1-CG2 4.26Å; F157-I173 HydrophobicContact CE1-CG2 4.07Å
174N95.7Very high97Very high73 Ų7367 Ų6739%0.3932%0.322SS..  trans-112.3116.6-177.3-61.9-63.5000110.3G155 S172 V176 T177G155-N174 PolarHBondContact O-ND2 3.12Å; S172-N174 PolarHBondContact OG-N 3.32Å; N174-V176 HydrophobicContact CB-CG2 4.18Å; N174-V176 PolarHBondContact O-N 3.22Å; N174-T177 VanDerWaalsContact O-CB 3.25Å; N174-T177 WeakPolarHBondContact O-CB 3.15Å; N174-T177 PolarHBondContact O-N 2.84Å; N174-T177 PolarHBondContact O-OG1 2.68Å
175E94.4Very high97.1Very high161 Ų16160 Ų6075%0.75229%0.29SS*.THydrogen-bonded Turntrans-52.8-41.1178.5-169.7-168.5172.300112.3H127 T177 S178H127-E175 PolarHBondContact CD2-N 2.97Å; H127-E175 VanDerWaalsContact NE2-CA 3.33Å; H127-E175 WeakPolarHBondContact NE2-CA 3.23Å; H127-E175 PolarHBondContact NE2-N 2.94Å; E175-T177 PolarHBondContact O-N 2.88Å; E175-S178 PolarHBondContact O-N 2.92Å
176V96.7Very high97.2Very high77 Ų7760.6 Ų60.647%0.46729%0.293SS..Hα-helixtrans-61.6-17.1179.2-60.60000114.4N174 S178 K179 R180N174-V176 HydrophobicContact CB-CG2 4.18Å; N174-V176 PolarHBondContact O-N 3.22Å; V176-S178 VanDerWaalsContact C-N 3.28Å; V176-S178 PolarHBondContact O-N 2.88Å; V176-K179 PolarHBondContact O-N 3.14Å; V176-R180 WeakPolarHBondContact O-CG 3.45Å; V176-R180 PolarHBondContact O-N 3.04Å; V176-R180 VanDerWaalsContact O-N 3.14Å
177T97.4Very high97.1Very high0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-61.7-36.5179.8-67.90000111.8I129 V154 G155 A156 I170 S172 N174 E175 K179 R180 A181I129-T177 HydrophobicContact CD1-CG2 4.19Å; V154-T177 HydrophobicContact CB-CG2 4.07Å; V154-T177 HydrophobicContact CG2-CG2 3.94Å; V154-T177 WeakPolarHBondContact O-CA 3.13Å; V154-T177 WeakPolarHBondContact O-CB 3.25Å; V154-T177 WeakPolarHBondContact O-CG2 3.26Å; V154-T177 PolarHBondContact O-OG1 2.71Å; G155-T177 PolarHBondContact O-OG1 2.74Å; A156-T177 HydrophobicContact CB-CG2 4.17Å; I170-T177 HydrophobicContact CG2-CG2 3.91Å; S172-T177 WeakPolarHBondContact OG-CB 3.41Å; S172-T177 PolarHBondContact OG-OG1 2.75Å; N174-T177 VanDerWaalsContact O-CB 3.25Å; N174-T177 WeakPolarHBondContact O-CB 3.15Å; N174-T177 PolarHBondContact O-N 2.84Å; N174-T177 PolarHBondContact O-OG1 2.68Å; E175-T177 PolarHBondContact O-N 2.88Å; T177-K179 PolarHBondContact O-N 3.33Å; T177-R180 PolarHBondContact O-N 2.76Å; T177-A181 WeakPolarHBondContact O-CB 3.49Å; T177-A181 PolarHBondContact O-N 3.25Å
178S96.3Very high97.1Very high50 Ų5060 Ų6035%0.3530%0.296SS..Hα-helixtrans-59.3-49.5-179.6179.30000111.8E175 V176 R180 A181 H182E175-S178 PolarHBondContact O-N 2.92Å; V176-S178 VanDerWaalsContact C-N 3.28Å; V176-S178 PolarHBondContact O-N 2.88Å; S178-R180 PolarHBondContact O-N 2.84Å; S178-A181 PolarHBondContact O-N 3.49Å; S178-H182 PolarHBondContact O-N 3.38Å; S178-H182 PolarHBondContact O-ND1 2.9Å
179K97.1Very high97.1Very high156 Ų15660.8 Ų60.868%0.67830%0.299SS*.Hα-helixtrans-64.6-41.5176.8-172.3172.6-178.5174.70112.1V176 T177 A181 M183V176-K179 PolarHBondContact O-N 3.14Å; T177-K179 PolarHBondContact O-N 3.33Å; K179-A181 PolarHBondContact O-N 3.04Å; K179-M183 HydrophobicContact CG-SD 4.12Å; K179-M183 VanDerWaalsContact O-CG 3.31Å; K179-M183 WeakPolarHBondContact O-CG 3.29Å; K179-M183 PolarHBondContact O-N 3.4Å; K179-M183 VanDerWaalsContact O-N 3.12Å
180R98.1Very high97Very high116 Ų11668 Ų6844%0.43833%0.325SS..Hα-helixtrans-63.4-39.9178-72.8178.2178172.70.7112.7V154 V176 T177 S178 M183 L184V154-R180 HydrophobicContact CB-CB 4.23Å; V154-R180 HydrophobicContact CG1-CB 4.4Å; V176-R180 WeakPolarHBondContact O-CG 3.45Å; V176-R180 PolarHBondContact O-N 3.04Å; V176-R180 VanDerWaalsContact O-N 3.14Å; T177-R180 PolarHBondContact O-N 2.76Å; S178-R180 PolarHBondContact O-N 2.84Å; R180-M183 PolarHBondContact O-N 2.87Å; R180-L184 WeakPolarHBondContact O-CB 3.38Å; R180-L184 WeakPolarHBondContact O-CG 3.43Å; R180-L184 PolarHBondContact O-N 2.92Å; R180-L184 VanDerWaalsContact O-N 3.08Å
181A98.1Very high96.9Very high0 Ų071.4 Ų71.40%035%0.349CS..Hα-helixtrans-61.4-50.8179.700000111.2L131 V154 I170 T177 S178 K179 M183 L184 I185L131-A181 HydrophobicContact CD1-CB 4.12Å; V154-A181 HydrophobicContact CG1-CB 4.25Å; I170-A181 HydrophobicContact CD1-CB 3.65Å; T177-A181 WeakPolarHBondContact O-CB 3.49Å; T177-A181 PolarHBondContact O-N 3.25Å; S178-A181 PolarHBondContact O-N 3.49Å; K179-A181 PolarHBondContact O-N 3.04Å; A181-M183 VanDerWaalsContact C-N 3.31Å; A181-M183 PolarHBondContact O-N 2.94Å; A181-L184 PolarHBondContact O-N 3.48Å; A181-I185 WeakPolarHBondContact O-CB 3.31Å; A181-I185 PolarHBondContact O-N 3.44Å
182H97.6Very high96.8Very high108 Ų10871.6 Ų71.650%0.535%0.35SS..Hα-helixtrans-61.5-35.6176.1-67.889.7000113.1S178S178-H182 PolarHBondContact O-N 3.38Å; S178-H182 PolarHBondContact O-ND1 2.9Å
183M96.6Very high96.7Very high140 Ų14076.3 Ų76.369%0.6937%0.368SS*.Hα-helixtrans-71.2-25.7176.8-73.3178.766.400114.2K179 R180 A181K179-M183 HydrophobicContact CG-SD 4.12Å; K179-M183 VanDerWaalsContact O-CG 3.31Å; K179-M183 WeakPolarHBondContact O-CG 3.29Å; K179-M183 PolarHBondContact O-N 3.4Å; K179-M183 VanDerWaalsContact O-N 3.12Å; R180-M183 PolarHBondContact O-N 2.87Å; A181-M183 VanDerWaalsContact C-N 3.31Å; A181-M183 PolarHBondContact O-N 2.94Å
184L97.8Very high96.5Very high44 Ų4477.2 Ų77.223%0.2338%0.377CS..Hα-helixtrans-110.4-14.3-170.9-65.3176.3000114.2F150 A153 V154 R180 A181 D186 M187 H188F150-L184 HydrophobicContact CD2-CB 4.33Å; F150-L184 HydrophobicContact CE2-CB 3.77Å; A153-L184 HydrophobicContact CB-CD1 4Å; V154-L184 HydrophobicContact CG1-CD1 4.16Å; R180-L184 WeakPolarHBondContact O-CB 3.38Å; R180-L184 WeakPolarHBondContact O-CG 3.43Å; R180-L184 PolarHBondContact O-N 2.92Å; R180-L184 VanDerWaalsContact O-N 3.08Å; A181-L184 PolarHBondContact O-N 3.48Å; L184-D186 PolarHBondContact O-N 3.34Å; L184-M187 HydrophobicContact CD2-CE 3.99Å; L184-M187 WeakPolarHBondContact O-CB 3.4Å; L184-M187 PolarHBondContact O-N 2.91Å; L184-M187 VanDerWaalsContact O-N 3.16Å; L184-H188 PolarHBondContact O-N 3.14Å
185I97.8Very high96.2Very high16 Ų1678.9 Ų78.98%0.08238%0.381CS..Hα-helixtrans-60.7-40.8-173.4-169.663000113.2L131 F150 L168 A181 M187 H188 F189L131-I185 HydrophobicContact CD1-CB 3.93Å; L131-I185 HydrophobicContact CD1-CD1 3.82Å; L131-I185 HydrophobicContact CD1-CG1 3.78Å; L131-I185 HydrophobicContact CD1-CG2 4.45Å; F150-I185 HydrophobicContact CE1-CD1 4.28Å; F150-I185 HydrophobicContact CE2-CD1 4.47Å; F150-I185 HydrophobicContact CZ-CB 4.39Å; F150-I185 HydrophobicContact CZ-CD1 3.86Å; L168-I185 HydrophobicContact CD2-CD1 4.06Å; A181-I185 WeakPolarHBondContact O-CB 3.31Å; A181-I185 PolarHBondContact O-N 3.44Å; I185-M187 VanDerWaalsContact C-N 3.32Å; I185-M187 PolarHBondContact O-N 2.98Å; I185-H188 WeakPolarHBondContact O-CB 3.35Å; I185-H188 PolarHBondContact O-N 3.32Å; I185-F189 HydrophobicContact CD1-CD1 4.3Å; I185-F189 HydrophobicContact CD1-CD2 4.37Å; I185-F189 HydrophobicContact CD1-CE1 3.83Å; I185-F189 HydrophobicContact CD1-CE2 3.91Å; I185-F189 HydrophobicContact CD1-CZ 3.62Å; I185-F189 HydrophobicContact CG1-CD2 3.91Å; I185-F189 HydrophobicContact CG1-CE1 4.35Å; I185-F189 HydrophobicContact CG1-CE2 3.5Å; I185-F189 HydrophobicContact CG1-CG 4.49Å; I185-F189 HydrophobicContact CG1-CZ 3.75Å; I185-F189 PolarHBondContact O-N 3.23Å
186D97Very high95.9Very high98 Ų9873.1 Ų73.152%0.52436%0.355SS..Hα-helixtrans-59.9-41.9176.1-87.96000112.5L184 R190L184-D186 PolarHBondContact O-N 3.34Å; D186-R190 WeakPolarHBondContact O-CB 3.24Å; D186-R190 WeakPolarHBondContact O-CG 3.5Å; D186-R190 PolarHBondContact O-N 3.22Å; D186-R190 IonicContact OD2-NH2 2.7Å
187M97Very high95.5Very high123 Ų12372 Ų7261%0.60635%0.35SS*.Hα-helixtrans-67.9-39.8177.7-173.2-176.272.300110.6L184 I185 R190 S191L184-M187 HydrophobicContact CD2-CE 3.99Å; L184-M187 WeakPolarHBondContact O-CB 3.4Å; L184-M187 PolarHBondContact O-N 2.91Å; L184-M187 VanDerWaalsContact O-N 3.16Å; I185-M187 VanDerWaalsContact C-N 3.32Å; I185-M187 PolarHBondContact O-N 2.98Å; M187-R190 PolarHBondContact O-N 3.18Å; M187-S191 WeakPolarHBondContact O-CB 3.24Å; M187-S191 PolarHBondContact O-N 2.79Å
188H97.6Very high95.2Very high16 Ų1676.9 Ų76.97%0.07438%0.376CS..Hα-helixtrans-62.2-49.2175-178.357.4000111.9H147 F150 L184 I185 R190 S191 L192H147-H188 AromaticContact CE1-NE2 3.45Å; H147-H188 PolarHBondContact CE1-NE2 2.73Å; H147-H188 AromaticContact ND1-CE1 3.77Å; H147-H188 AromaticContact ND1-NE2 3.07Å; H147-H188 PolarHBondContact ND1-NE2 3.31Å; F150-H188 HydrophobicContact CD2-CB 3.6Å; F150-H188 AromaticContact CD2-CG 3.77Å; F150-H188 HydrophobicContact CE2-CB 3.91Å; F150-H188 HydrophobicContact CG-CB 4.15Å; F150-H188 AromaticContact CG-CG 3.79Å; F150-H188 AromaticContact CG-ND1 3.97Å; L184-H188 PolarHBondContact O-N 3.14Å; I185-H188 WeakPolarHBondContact O-CB 3.35Å; I185-H188 PolarHBondContact O-N 3.32Å; H188-R190 PolarHBondContact O-N 2.6Å; H188-S191 WeakPolarHBondContact O-CB 3.43Å; H188-S191 PolarHBondContact O-N 3.39Å; H188-S191 VanDerWaalsContact O-N 3.16Å; H188-L192 WeakPolarHBondContact NE2-CD1 3.44Å; H188-L192 PolarHBondContact O-N 2.95Å
189F97.6Very high94.7Very high15 Ų1578 Ų787%0.06638%0.377CS..Hα-helixtrans-63.1-39.2176.7-71.8-25.7000112.9D132 V133 P134 L137 I185 S191 L192 R193D132-F189 WeakPolarHBondContact O-CZ 3.16Å; V133-F189 HydrophobicContact CB-CZ 4.48Å; V133-F189 HydrophobicContact CG1-CE1 4.42Å; V133-F189 HydrophobicContact CG2-CE1 4.36Å; V133-F189 HydrophobicContact CG2-CZ 4.15Å; P134-F189 VanDerWaalsContact CD-CE2 3.46Å; P134-F189 HydrophobicContact CG-CD2 4.17Å; P134-F189 HydrophobicContact CG-CE2 4.13Å; L137-F189 HydrophobicContact CD1-CB 3.55Å; L137-F189 HydrophobicContact CD1-CD1 3.6Å; L137-F189 HydrophobicContact CD1-CE1 4.46Å; L137-F189 HydrophobicContact CD1-CG 3.71Å; I185-F189 HydrophobicContact CD1-CD1 4.3Å; I185-F189 HydrophobicContact CD1-CD2 4.37Å; I185-F189 HydrophobicContact CD1-CE1 3.83Å; I185-F189 HydrophobicContact CD1-CE2 3.91Å; I185-F189 HydrophobicContact CD1-CZ 3.62Å; I185-F189 HydrophobicContact CG1-CD2 3.91Å; I185-F189 HydrophobicContact CG1-CE1 4.35Å; I185-F189 HydrophobicContact CG1-CE2 3.5Å; I185-F189 HydrophobicContact CG1-CG 4.49Å; I185-F189 HydrophobicContact CG1-CZ 3.75Å; I185-F189 PolarHBondContact O-N 3.23Å; F189-S191 VanDerWaalsContact C-N 3.35Å; F189-S191 PolarHBondContact O-N 3.44Å; F189-L192 HydrophobicContact CD1-CD1 4.48Å; F189-L192 PolarHBondContact O-N 2.85Å; F189-R193 WeakPolarHBondContact O-CG 3.46Å; F189-R193 PolarHBondContact O-N 2.69Å
190R95.8Very high94Very high163 Ų16375.4 Ų75.462%0.61537%0.369SS*.Hα-helixtrans-60.5-43.6172.1-71.3169.1-161.6-177.18.9111.6D186 M187 H188 R193 T194D186-R190 WeakPolarHBondContact O-CB 3.24Å; D186-R190 WeakPolarHBondContact O-CG 3.5Å; D186-R190 PolarHBondContact O-N 3.22Å; D186-R190 IonicContact OD2-NH2 2.7Å; M187-R190 PolarHBondContact O-N 3.18Å; H188-R190 PolarHBondContact O-N 2.6Å; R190-R193 PolarHBondContact O-N 2.9Å; R190-T194 PolarHBondContact O-N 3.17Å; R190-T194 VanDerWaalsContact O-N 3.08Å; R190-T194 PolarHBondContact O-OG1 3.23Å; R190-T194 VanDerWaalsContact O-OG1 3.09Å
191S95.4Very high93.6Very high73 Ų7377.6 Ų77.651%0.5138%0.377SS..Hα-helixtrans-60.8-45175.3-1740000112.2M187 H188 F189 R193 T194 K195M187-S191 WeakPolarHBondContact O-CB 3.24Å; M187-S191 PolarHBondContact O-N 2.79Å; H188-S191 WeakPolarHBondContact O-CB 3.43Å; H188-S191 PolarHBondContact O-N 3.39Å; H188-S191 VanDerWaalsContact O-N 3.16Å; F189-S191 VanDerWaalsContact C-N 3.35Å; F189-S191 PolarHBondContact O-N 3.44Å; S191-R193 PolarHBondContact O-N 2.8Å; S191-T194 PolarHBondContact O-N 2.82Å; S191-K195 WeakPolarHBondContact O-CB 3.3Å; S191-K195 PolarHBondContact O-N 3.36Å
192L94.9Very high93.1Very high4 Ų482.8 Ų82.82%0.02141%0.405CS..Hα-helixtrans-62.2-41.4176.3-69.7-174.5000112.7L137 A146 H188 F189 K195 L196L137-L192 HydrophobicContact CD1-CB 4.45Å; L137-L192 HydrophobicContact CD2-CB 3.8Å; A146-L192 HydrophobicContact CB-CD2 4.05Å; H188-L192 WeakPolarHBondContact NE2-CD1 3.44Å; H188-L192 PolarHBondContact O-N 2.95Å; F189-L192 HydrophobicContact CD1-CD1 4.48Å; F189-L192 PolarHBondContact O-N 2.85Å; L192-K195 PolarHBondContact O-N 3.24Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 PolarHBondContact O-N 3.36Å
193R94.4Very high92.7Very high99 Ų9982.3 Ų82.337%0.37440%0.403SS..Hα-helixtrans-59.7-47.1174.4-73.2-178.6173.9115.48.7111.9D136 L137 F189 R190 S191 K195 L196 S197D136-R193 IonicContact OD1-CZ 3.58Å; D136-R193 IonicContact OD1-NE 3.61Å; D136-R193 IonicContact OD1-NH2 3.38Å; D136-R193 PolarHBondContact OD1-NH2 3.04Å; D136-R193 IonicContact OD2-CZ 2.77Å; D136-R193 IonicContact OD2-NE 3.9Å; D136-R193 PolarHBondContact OD2-NE 3.18Å; D136-R193 IonicContact OD2-NH2 3.55Å; D136-R193 PolarHBondContact OD2-NH2 3.22Å; D136-R193 VanDerWaalsContact OD2-NH2 3.16Å; L137-R193 HydrophobicContact CD1-CG 4.12Å; L137-R193 HydrophobicContact CD2-CG 3.7Å; L137-R193 HydrophobicContact CG-CG 4.14Å; F189-R193 WeakPolarHBondContact O-CG 3.46Å; F189-R193 PolarHBondContact O-N 2.69Å; R190-R193 PolarHBondContact O-N 2.9Å; S191-R193 PolarHBondContact O-N 2.8Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.38Å; R193-L196 PolarHBondContact O-N 2.93Å; R193-S197 PolarHBondContact O-N 3.32Å
194T93.2Very high92.3Very high89 Ų8980.9 Ų80.955%0.54639%0.394SS..Hα-helixtrans-60.6-43.4176.7-54.60000111.3R190 S191 S197 L198R190-T194 PolarHBondContact O-N 3.17Å; R190-T194 VanDerWaalsContact O-N 3.08Å; R190-T194 PolarHBondContact O-OG1 3.23Å; R190-T194 VanDerWaalsContact O-OG1 3.09Å; S191-T194 PolarHBondContact O-N 2.82Å; T194-S197 PolarHBondContact O-N 3.21Å; T194-L198 HydrophobicContact CG2-CD1 4.36Å; T194-L198 WeakPolarHBondContact O-CG 3.33Å; T194-L198 PolarHBondContact O-N 3.31Å; T194-L198 VanDerWaalsContact O-N 3.09Å
195K89.8Confident91.6Very high108 Ų10881.2 Ų81.247%0.4740%0.403SS..Hα-helixtrans-64.4-42177.6-171.1174.9-177.6176.30112.4M140 S191 L192 R193 L198 I199M140-K195 HydrophobicContact CE-CB 4.27Å; M140-K195 HydrophobicContact CE-CD 4.24Å; M140-K195 HydrophobicContact CE-CG 4.1Å; S191-K195 WeakPolarHBondContact O-CB 3.3Å; S191-K195 PolarHBondContact O-N 3.36Å; L192-K195 PolarHBondContact O-N 3.24Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.38Å; K195-L198 PolarHBondContact O-N 3.12Å; K195-I199 HydrophobicContact CG-CD1 4.05Å; K195-I199 VanDerWaalsContact O-CG1 3.29Å; K195-I199 WeakPolarHBondContact O-CG1 3.25Å; K195-I199 PolarHBondContact O-N 3.09Å
196L87.3Confident91Very high41 Ų4182.9 Ų82.922%0.21542%0.416CS..Hα-helixtrans-60.7-48.7176.2178.757.5000111.3M140 L192 R193 L198 I199 M200M140-L196 HydrophobicContact CE-CB 4.24Å; M140-L196 HydrophobicContact CG-CB 4.09Å; M140-L196 HydrophobicContact CG-CD1 3.89Å; M140-L196 HydrophobicContact CG-CD2 4.16Å; M140-L196 HydrophobicContact CG-CG 4.27Å; M140-L196 HydrophobicContact SD-CB 4.39Å; M140-L196 HydrophobicContact SD-CD1 3.97Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 PolarHBondContact O-N 3.36Å; R193-L196 PolarHBondContact O-N 2.93Å; L196-L198 VanDerWaalsContact C-N 3.3Å; L196-L198 PolarHBondContact O-N 3.43Å; L196-I199 PolarHBondContact O-N 3.12Å; L196-I199 VanDerWaalsContact O-N 3.14Å; L196-M200 HydrophobicContact CD1-CG 4.42Å; L196-M200 HydrophobicContact CD1-SD 4.46Å; L196-M200 HydrophobicContact CG-SD 4.49Å; L196-M200 WeakPolarHBondContact O-CG 3.06Å; L196-M200 PolarHBondContact O-N 3.15Å
197S88.9Confident90.5Very high52 Ų5284 Ų8436%0.36442%0.416SS..Hα-helixtrans-60-38.2177.8-176.90000112.8R193 T194 R201R193-S197 PolarHBondContact O-N 3.32Å; T194-S197 PolarHBondContact O-N 3.21Å; S197-R201 WeakPolarHBondContact O-CG 3.45Å; S197-R201 PolarHBondContact O-N 3.36Å
198L89.9Confident89.7Confident104 Ų10484.5 Ų84.555%0.54542%0.418SS..Hα-helixtrans-68.6-39174.8-73.1172000112.8T194 K195 L196 N202T194-L198 HydrophobicContact CG2-CD1 4.36Å; T194-L198 WeakPolarHBondContact O-CG 3.33Å; T194-L198 PolarHBondContact O-N 3.31Å; T194-L198 VanDerWaalsContact O-N 3.09Å; K195-L198 PolarHBondContact O-N 3.12Å; L196-L198 VanDerWaalsContact C-N 3.3Å; L196-L198 PolarHBondContact O-N 3.43Å; L198-N202 WeakPolarHBondContact O-CB 3.21Å; L198-N202 PolarHBondContact O-N 2.96Å
199I86Confident88.6Confident74 Ų7489.7 Ų89.738%0.37945%0.445SS..Hα-helixtrans-62.1-48.4176.6-71.2164000110.1M140 K195 L196 R201 N202 E203M140-I199 HydrophobicContact CE-CD1 3.97Å; M140-I199 HydrophobicContact SD-CD1 4.35Å; K195-I199 HydrophobicContact CG-CD1 4.05Å; K195-I199 VanDerWaalsContact O-CG1 3.29Å; K195-I199 WeakPolarHBondContact O-CG1 3.25Å; K195-I199 PolarHBondContact O-N 3.09Å; L196-I199 PolarHBondContact O-N 3.12Å; L196-I199 VanDerWaalsContact O-N 3.14Å; I199-R201 PolarHBondContact O-N 3Å; I199-N202 PolarHBondContact O-N 3.19Å; I199-E203 PolarHBondContact O-N 3.42Å
200M83.7Confident87.6Confident101 Ų10194.8 Ų94.850%0.49847%0.469SS..Hα-helixtrans-59.5-48.6179.7-67.1-178.572.800112.1L196 N202 E203 E204L196-M200 HydrophobicContact CD1-CG 4.42Å; L196-M200 HydrophobicContact CD1-SD 4.46Å; L196-M200 HydrophobicContact CG-SD 4.49Å; L196-M200 WeakPolarHBondContact O-CG 3.06Å; L196-M200 PolarHBondContact O-N 3.15Å; M200-N202 VanDerWaalsContact C-N 3.28Å; M200-N202 PolarHBondContact O-N 3.45Å; M200-E203 PolarHBondContact O-N 3.44Å; M200-E204 WeakPolarHBondContact O-CG 3.46Å; M200-E204 PolarHBondContact O-N 3.32Å
201R88.4Confident86.4Confident162 Ų16290 Ų9061%0.61146%0.461SS*.Hα-helixtrans-60.1-36.7176.6-74.1179.2179.9168.52.2113.2S197 I199 A205S197-R201 WeakPolarHBondContact O-CG 3.45Å; S197-R201 PolarHBondContact O-N 3.36Å; I199-R201 PolarHBondContact O-N 3Å; R201-A205 WeakPolarHBondContact O-CB 3.49Å; R201-A205 PolarHBondContact O-N 3.43Å
202N87.8Confident84.9Confident108 Ų10889.9 Ų89.958%0.57846%0.46SS*.Hα-helixtrans-74.2-34.4179.7-160.717.7000111.5L198 I199 M200 S206L198-N202 WeakPolarHBondContact O-CB 3.21Å; L198-N202 PolarHBondContact O-N 2.96Å; I199-N202 PolarHBondContact O-N 3.19Å; M200-N202 VanDerWaalsContact C-N 3.28Å; M200-N202 PolarHBondContact O-N 3.45Å; N202-S206 VanDerWaalsContact O-CB 3.29Å; N202-S206 WeakPolarHBondContact O-CB 3.32Å; N202-S206 PolarHBondContact O-N 2.9Å; N202-S206 PolarHBondContact O-OG 3.22Å
203E89.7Confident83.5Confident99 Ų9999.1 Ų99.146%0.46350%0.495SS..Hα-helixtrans-67-43172.6-166.3-174.9145.600111.6I199 M200 S206 K207I199-E203 PolarHBondContact O-N 3.42Å; M200-E203 PolarHBondContact O-N 3.44Å; E203-S206 PolarHBondContact O-N 3.1Å; E203-K207 WeakPolarHBondContact O-CG 3.43Å; E203-K207 PolarHBondContact O-N 2.89Å; E203-K207 WeakPolarHBondContact OE1-CE 3.37Å; E203-K207 IonicContact OE1-NZ 2.74Å; E203-K207 PolarHBondContact OE1-NZ 3.01Å
204E87.6Confident81.9Confident110 Ų110101.2 Ų101.251%0.51451%0.509SS..Hα-helixtrans-59.2-49.1172.7-73.2169.2-177.400111.8M200 S206 K207 Q208M200-E204 WeakPolarHBondContact O-CG 3.46Å; M200-E204 PolarHBondContact O-N 3.32Å; E204-S206 VanDerWaalsContact C-N 3.32Å; E204-S206 PolarHBondContact O-N 3.12Å; E204-K207 PolarHBondContact O-N 2.99Å; E204-Q208 WeakPolarHBondContact O-CG 3.2Å; E204-Q208 PolarHBondContact O-N 3.32Å
205A84.2Confident80.3Confident50 Ų50101.1 Ų101.141%0.41350%0.504SS..Hα-helixtrans-62.7-37.1176.900000112.5R201 Q208 L209R201-A205 WeakPolarHBondContact O-CB 3.49Å; R201-A205 PolarHBondContact O-N 3.43Å; A205-Q208 PolarHBondContact O-N 3.2Å; A205-L209 WeakPolarHBondContact O-CB 3.21Å; A205-L209 PolarHBondContact O-N 3.09Å
206S84.9Confident78.7Confident51 Ų5197.4 Ų97.436%0.35749%0.494SS..Hα-helixtrans-66.8-43.9176.5-59.60000111.5N202 E203 E204 Q208 L209 E210N202-S206 VanDerWaalsContact O-CB 3.29Å; N202-S206 WeakPolarHBondContact O-CB 3.32Å; N202-S206 PolarHBondContact O-N 2.9Å; N202-S206 PolarHBondContact O-OG 3.22Å; E203-S206 PolarHBondContact O-N 3.1Å; E204-S206 VanDerWaalsContact C-N 3.32Å; E204-S206 PolarHBondContact O-N 3.12Å; S206-Q208 VanDerWaalsContact C-N 3.33Å; S206-Q208 PolarHBondContact O-N 3.06Å; S206-L209 PolarHBondContact O-N 3.09Å; S206-E210 WeakPolarHBondContact O-CG 3.35Å; S206-E210 PolarHBondContact O-N 2.96Å
207K85.9Confident77.4Confident121 Ų12199.3 Ų99.353%0.52651%0.51SS..Hα-helixtrans-61.8-39.2175-75.2171.8-178.5166.90112.4E203 E204 S211E203-K207 WeakPolarHBondContact O-CG 3.43Å; E203-K207 PolarHBondContact O-N 2.89Å; E203-K207 WeakPolarHBondContact OE1-CE 3.37Å; E203-K207 IonicContact OE1-NZ 2.74Å; E203-K207 PolarHBondContact OE1-NZ 3.01Å; E204-K207 PolarHBondContact O-N 2.99Å; K207-S211 PolarHBondContact O-N 3.27Å; K207-S211 PolarHBondContact O-OG 2.69Å
208Q80.8Confident76.6Confident135 Ų135105.1 Ų105.163%0.63152%0.524SS*.Hα-helixtrans-66.5-38.1174.3-71.6174.37.600112.4E204 A205 S206 S211 S212E204-Q208 WeakPolarHBondContact O-CG 3.2Å; E204-Q208 PolarHBondContact O-N 3.32Å; A205-Q208 PolarHBondContact O-N 3.2Å; S206-Q208 VanDerWaalsContact C-N 3.33Å; S206-Q208 PolarHBondContact O-N 3.06Å; Q208-S211 PolarHBondContact O-OG 2.93Å; Q208-S211 VanDerWaalsContact O-OG 3.12Å; Q208-S212 VanDerWaalsContact O-CB 3.3Å; Q208-S212 WeakPolarHBondContact O-CB 3.3Å; Q208-S212 PolarHBondContact O-N 3.33Å; Q208-S212 VanDerWaalsContact O-N 3.1Å
209L74Confident76.4Confident124 Ų124102.7 Ų102.765%0.64951%0.509SS*.Hα-helixtrans-67.5-42.1175.7-175.367.6000111.7A205 S206 R213A205-L209 WeakPolarHBondContact O-CB 3.21Å; A205-L209 PolarHBondContact O-N 3.09Å; S206-L209 PolarHBondContact O-N 3.09Å; L209-R213 WeakPolarHBondContact O-CB 3.4Å; L209-R213 PolarHBondContact O-N 3.03Å
210E76.4Confident76.6Confident122 Ų122102.9 Ų102.957%0.5751%0.509SS*.Hα-helixtrans-66.1-43.4178.1-74.9179.7174.300112.3S206 R213 Q214S206-E210 WeakPolarHBondContact O-CG 3.35Å; S206-E210 PolarHBondContact O-N 2.96Å; E210-R213 PolarHBondContact O-N 2.99Å; E210-Q214 WeakPolarHBondContact O-CG 3.21Å; E210-Q214 PolarHBondContact O-N 3.45Å
211S71.5Confident76.9Confident63 Ų6399.6 Ų99.644%0.44149%0.492SS..Hα-helixtrans-65.7-44177.164.10000112.1K207 Q208 R213 Q214 L215K207-S211 PolarHBondContact O-N 3.27Å; K207-S211 PolarHBondContact O-OG 2.69Å; Q208-S211 PolarHBondContact O-OG 2.93Å; Q208-S211 VanDerWaalsContact O-OG 3.12Å; S211-R213 VanDerWaalsContact C-N 3.32Å; S211-R213 PolarHBondContact O-N 3.37Å; S211-Q214 PolarHBondContact O-N 3.28Å; S211-L215 WeakPolarHBondContact O-CG 3.41Å; S211-L215 PolarHBondContact O-N 2.93Å; S211-L215 VanDerWaalsContact O-N 3.15Å
212S64.7Low77.2Confident71 Ų7197.3 Ų97.350%0.49749%0.488SS..Hα-helixtrans-59.8-41.4173.41770000112Q208 L215 A216Q208-S212 VanDerWaalsContact O-CB 3.3Å; Q208-S212 WeakPolarHBondContact O-CB 3.3Å; Q208-S212 PolarHBondContact O-N 3.33Å; Q208-S212 VanDerWaalsContact O-N 3.1Å; S212-L215 PolarHBondContact O-N 3.46Å; S212-A216 WeakPolarHBondContact O-CB 3.36Å; S212-A216 PolarHBondContact O-N 3.09Å; S212-A216 VanDerWaalsContact O-N 3.12Å
213R64.7Low77.6Confident198 Ų19892.6 Ų92.675%0.74746%0.463SS*.Hα-helixtrans-67.6-36.5179.4-174.2174.4-177.6163.92.3113.2L209 E210 S211L209-R213 WeakPolarHBondContact O-CB 3.4Å; L209-R213 PolarHBondContact O-N 3.03Å; E210-R213 PolarHBondContact O-N 2.99Å; S211-R213 VanDerWaalsContact C-N 3.32Å; S211-R213 PolarHBondContact O-N 3.37Å
214Q61.2Low77.9Confident143 Ų14393.7 Ų93.767%0.66847%0.47SS*.Hα-helixtrans-70.7-36176.7-73.1179.111.800112.5E210 S211E210-Q214 WeakPolarHBondContact O-CG 3.21Å; E210-Q214 PolarHBondContact O-N 3.45Å; S211-Q214 PolarHBondContact O-N 3.28Å
215L58.8Low78.3Confident86 Ų8688.5 Ų88.545%0.4545%0.446SS..Hα-helixtrans-65-43174.6-71167.7000111.4S211 S212 S217 R218 E267S211-L215 WeakPolarHBondContact O-CG 3.41Å; S211-L215 PolarHBondContact O-N 2.93Å; S211-L215 VanDerWaalsContact O-N 3.15Å; S212-L215 PolarHBondContact O-N 3.46Å; L215-S217 PolarHBondContact O-N 3.48Å; L215-S217 VanDerWaalsContact O-N 3.12Å; L215-R218 PolarHBondContact O-N 3.2Å; L215-E267 HydrophobicContact CB-CG 4.5Å
216A55.8Low78.8Confident31 Ų3192.7 Ų92.726%0.25645%0.451SS..THydrogen-bonded Turntrans-66.8-13.9-174.600000115.8S212 T251S212-A216 WeakPolarHBondContact O-CB 3.36Å; S212-A216 PolarHBondContact O-N 3.09Å; S212-A216 VanDerWaalsContact O-N 3.12Å; A216-T251 HydrophobicContact CB-CG2 3.79Å; A216-T251 PolarHBondContact O-OG1 3.09Å
217S61.7Low79.2Confident80 Ų8098.2 Ų98.256%0.55947%0.472SS*.THydrogen-bonded Turntrans-12017.2-177.972.60000113.8L215L215-S217 PolarHBondContact O-N 3.48Å; L215-S217 VanDerWaalsContact O-N 3.12Å
218R70.3Confident79.5Confident174 Ų17497 Ų9766%0.65747%0.471SS*.SBendtrans-76-37.1-171.8-168.2174.9-173.2-179.63.1113.4L215L215-R218 PolarHBondContact O-N 3.2Å
219F85.4Confident80.2Confident53 Ų5390.7 Ų90.723%0.23244%0.441CS..EExtended strand (participates in β ladder)trans-120.3135.5177.4-61-81.7000110.7Y265 G266 E267 D268 Q269 V272F219-Y265 WeakPolarHBondContact O-CA 3.14Å; F219-G266 PolarHBondContact N-O 3.03Å; F219-G266 VanDerWaalsContact N-O 3.09Å; F219-G266 PolarHBondContact O-N 3.44Å; F219-E267 WeakPolarHBondContact CD2-O 3.46Å; F219-E267 WeakPolarHBondContact CE2-O 3.39Å; F219-D268 VanDerWaalsContact CD2-C 3.5Å; F219-Q269 HydrophobicContact CD1-CB 3.73Å; F219-Q269 HydrophobicContact CD1-CG 4.43Å; F219-Q269 HydrophobicContact CE1-CB 3.78Å; F219-Q269 HydrophobicContact CG-CB 4.21Å; F219-Q269 HydrophobicContact CZ-CB 4.29Å; F219-V272 HydrophobicContact CB-CG1 4.24Å; F219-V272 HydrophobicContact CB-CG2 4.04Å
220H90.3Very high81.1Confident79 Ų7985.9 Ų85.937%0.36642%0.416SS..EExtended strand (participates in β ladder)trans-134.3126.9179173.5-124.4000109.1H263 I264 Y265H220-H263 AromaticContact CE1-ND1 3.6Å; H220-H263 AromaticContact NE2-CG 3.81Å; H220-H263 AromaticContact NE2-ND1 3.23Å; H220-H263 PolarHBondContact NE2-ND1 3.07Å; H220-I264 WeakPolarHBondContact CA-O 3.32Å; H220-I264 PolarHBondContact CD2-O 3.06Å; H220-Y265 HydrophobicContact CB-CD1 4.07Å; H220-Y265 HydrophobicContact CB-CE1 4.07Å; H220-Y265 AromaticContact CD2-CD1 3.74Å; H220-Y265 AromaticContact CD2-CE1 3.32Å; H220-Y265 WeakPolarHBondContact CD2-CE1 3.35Å; H220-Y265 AromaticContact CD2-CZ 3.7Å; H220-Y265 AromaticContact CG-CE1 3.69Å
221E91.9Very high81.9Confident31 Ų3182.8 Ų82.815%0.14542%0.417CS..EExtended strand (participates in β ladder)trans-117.6140.8171.9-76.8-78.2172.300108.7I264 Q269 V272 R276E221-I264 HydrophobicContact CB-CB 4.43Å; E221-I264 PolarHBondContact N-O 2.97Å; E221-I264 PolarHBondContact O-N 3.36Å; E221-Q269 PolarHBondContact OE1-NE2 2.92Å; E221-V272 HydrophobicContact CB-CB 4.31Å; E221-V272 HydrophobicContact CB-CG2 4.39Å; E221-V272 HydrophobicContact CG-CB 3.88Å; E221-V272 HydrophobicContact CG-CG2 3.48Å; E221-V272 VanDerWaalsContact CG-CG2 3.48Å; E221-R276 IonicContact OE2-CZ 3.64Å; E221-R276 IonicContact OE2-NH1 2.74Å; E221-R276 PolarHBondContact OE2-NH1 3.26Å
222Q94.4Very high83Confident114 Ų11482.5 Ų82.553%0.53341%0.41SS..EExtended strand (participates in β ladder)trans-135.5143.5173.168.2-178.61900112T261 F262 H263 R276Q222-T261 HydrophobicContact CB-CG2 4.47Å; Q222-F262 VanDerWaalsContact CA-O 3.25Å; Q222-F262 WeakPolarHBondContact CA-O 3.29Å; Q222-H263 PolarHBondContact OE1-CE1 3.14Å; Q222-R276 PolarHBondContact O-NH1 3.14Å
223F96.3Very high84.4Confident10 Ų1079.1 Ų79.14%0.04439%0.386CS..EExtended strand (participates in β ladder)trans-157.4152.6177.759.6-81.2000110.7V225 F262 I264 R276 L279 E280F223-V225 HydrophobicContact CD2-CG2 3.88Å; F223-V225 HydrophobicContact CE2-CG2 3.69Å; F223-F262 HydrophobicContact CD1-CB 4.27Å; F223-F262 HydrophobicContact CD2-CB 4.38Å; F223-F262 HydrophobicContact CD2-CD2 4.39Å; F223-F262 HydrophobicContact CE1-CB 3.66Å; F223-F262 HydrophobicContact CE1-CG 4.48Å; F223-F262 HydrophobicContact CE2-CB 3.8Å; F223-F262 AromaticContact CE2-CD2 3.62Å; F223-F262 HydrophobicContact CE2-CD2 3.62Å; F223-F262 HydrophobicContact CE2-CE2 4.48Å; F223-F262 AromaticContact CE2-CG 3.93Å; F223-F262 HydrophobicContact CE2-CG 3.93Å; F223-F262 HydrophobicContact CZ-CB 3.38Å; F223-F262 AromaticContact CZ-CD2 3.93Å; F223-F262 HydrophobicContact CZ-CD2 3.93Å; F223-F262 AromaticContact CZ-CG 3.73Å; F223-F262 HydrophobicContact CZ-CG 3.73Å; F223-F262 PolarHBondContact N-O 2.82Å; F223-F262 PolarHBondContact O-N 2.92Å; F223-I264 HydrophobicContact CE1-CD1 3.71Å; F223-I264 HydrophobicContact CE1-CG1 4.16Å; F223-I264 HydrophobicContact CZ-CD1 4.21Å; F223-R276 HydrophobicContact CD1-CB 4.37Å; F223-R276 HydrophobicContact CD1-CG 3.68Å; F223-R276 HydrophobicContact CE1-CB 3.99Å; F223-R276 HydrophobicContact CE1-CG 3.72Å; F223-R276 HydrophobicContact CG-CG 4.35Å; F223-R276 HydrophobicContact CZ-CG 4.41Å; F223-L279 HydrophobicContact CE2-CB 4.03Å; F223-L279 HydrophobicContact CZ-CB 3.66Å; F223-E280 HydrophobicContact CB-CG 4.44Å; F223-E280 HydrophobicContact CD2-CB 3.8Å; F223-E280 HydrophobicContact CD2-CG 3.74Å; F223-E280 HydrophobicContact CE2-CB 3.88Å; F223-E280 HydrophobicContact CE2-CG 4.33Å; F223-E280 HydrophobicContact CG-CB 4.37Å; F223-E280 HydrophobicContact CG-CG 4.17Å
224I95.5Very high85.7Confident121 Ų12172.3 Ų72.362%0.62136%0.364SS*.EExtended strand (participates in β ladder)trans-99.4134.6178.3-60.1166.1000108.1T261I224-T261 HydrophobicContact CG1-CG2 4.38Å
225V96.4Very high87.2Confident1 Ų166.1 Ų66.11%0.00634%0.339CS..  trans-107.5139.2168.4177.40000107.7F223 L229 M230 A233 C260 F262 L279 F281F223-V225 HydrophobicContact CD2-CG2 3.88Å; F223-V225 HydrophobicContact CE2-CG2 3.69Å; V225-L229 HydrophobicContact CG1-CB 4.01Å; V225-M230 HydrophobicContact CB-CE 3.98Å; V225-M230 HydrophobicContact CG1-CE 4.4Å; V225-A233 HydrophobicContact CG1-CB 3.98Å; V225-A233 HydrophobicContact CG2-CB 4.25Å; V225-C260 PolarHBondContact N-O 3.13Å; V225-C260 WeakPolarHBondContact O-CB 3.46Å; V225-F262 HydrophobicContact CB-CD2 4.46Å; V225-F262 HydrophobicContact CB-CE2 4.18Å; V225-F262 HydrophobicContact CG2-CD2 3.78Å; V225-F262 HydrophobicContact CG2-CE2 3.73Å; V225-L279 WeakPolarHBondContact CG2-O 3.45Å; V225-F281 HydrophobicContact CG1-CB 4.39Å
226R94.4Very high88.8Confident139 Ų13967.5 Ų67.553%0.52535%0.351SS..  trans-64.9143.7176.1-63.8169.948.5109.9-2.6110.6D228 L229 M230R226-D228 VanDerWaalsContact C-N 3.26Å; R226-D228 WeakPolarHBondContact CB-OD1 3.46Å; R226-D228 IonicContact CZ-OD1 2.84Å; R226-D228 IonicContact CZ-OD2 3.25Å; R226-D228 IonicContact NE-OD1 2.78Å; R226-D228 PolarHBondContact NE-OD1 2.98Å; R226-D228 IonicContact NE-OD2 2.68Å; R226-D228 IonicContact NH2-OD1 3.22Å; R226-D228 PolarHBondContact NH2-OD1 3.32Å; R226-D228 IonicContact NH2-OD2 3.18Å; R226-D228 PolarHBondContact NH2-OD2 3.08Å; R226-D228 PolarHBondContact O-N 3.47Å; R226-L229 HydrophobicContact CB-CD1 4.34Å; R226-L229 HydrophobicContact CB-CG 4.27Å; R226-L229 CarbonylContact O-C 3.53Å; R226-L229 WeakPolarHBondContact O-CA 3.23Å; R226-L229 PolarHBondContact O-N 3.48Å; R226-M230 PolarHBondContact O-N 3.34Å
227E92.4Very high90.5Very high167 Ų16775 Ų7578%0.7838%0.38SS*.Hα-helixtrans-52.5-42.6179.9-168.9-173.7172.700112.5L229 M230E227-L229 PolarHBondContact O-N 2.93Å; E227-M230 WeakPolarHBondContact O-CB 3.28Å; E227-M230 PolarHBondContact O-N 3.21Å; E227-M230 VanDerWaalsContact O-N 3.16Å
228D93.6Very high92Very high95 Ų9571.7 Ų71.751%0.50836%0.359SS..Hα-helixtrans-67.4-13.2177.762.4-18.5000114.6R226R226-D228 VanDerWaalsContact C-N 3.26Å; R226-D228 WeakPolarHBondContact CB-OD1 3.46Å; R226-D228 IonicContact CZ-OD1 2.84Å; R226-D228 IonicContact CZ-OD2 3.25Å; R226-D228 IonicContact NE-OD1 2.78Å; R226-D228 PolarHBondContact NE-OD1 2.98Å; R226-D228 IonicContact NE-OD2 2.68Å; R226-D228 IonicContact NH2-OD1 3.22Å; R226-D228 PolarHBondContact NH2-OD1 3.32Å; R226-D228 IonicContact NH2-OD2 3.18Å; R226-D228 PolarHBondContact NH2-OD2 3.08Å; R226-D228 PolarHBondContact O-N 3.47Å
229L94.8Very high93.1Very high2 Ų265.1 Ų65.11%0.0134%0.341CS..Hα-helixtrans-109.1-6.6176.2-55.5-178.6000113V225 R226 E227 G231 L232 A233 F281 A282 E283 V383V225-L229 HydrophobicContact CG1-CB 4.01Å; R226-L229 HydrophobicContact CB-CD1 4.34Å; R226-L229 HydrophobicContact CB-CG 4.27Å; R226-L229 CarbonylContact O-C 3.53Å; R226-L229 WeakPolarHBondContact O-CA 3.23Å; R226-L229 PolarHBondContact O-N 3.48Å; E227-L229 PolarHBondContact O-N 2.93Å; L229-G231 VanDerWaalsContact C-N 3.27Å; L229-G231 PolarHBondContact O-N 2.9Å; L229-L232 HydrophobicContact CD2-CD1 4.14Å; L229-L232 WeakPolarHBondContact O-CA 3.32Å; L229-L232 WeakPolarHBondContact O-CB 3.29Å; L229-L232 PolarHBondContact O-N 3.16Å; L229-A233 PolarHBondContact O-N 3.35Å; L229-A233 VanDerWaalsContact O-N 3.15Å; L229-F281 HydrophobicContact CB-CB 4.22Å; L229-A282 VanDerWaalsContact CD1-C 3.42Å; L229-E283 HydrophobicContact CD1-CB 4.33Å; L229-V383 HydrophobicContact CD2-CG1 3.57Å
230M93.1Very high93.6Very high23 Ų2364.6 Ų64.611%0.11334%0.341CS..Hα-helixtrans-59.3-37-175.2-171.457.970.400112.7V225 R226 E227 L232 A233 I234 L255 C260 F262V225-M230 HydrophobicContact CB-CE 3.98Å; V225-M230 HydrophobicContact CG1-CE 4.4Å; R226-M230 PolarHBondContact O-N 3.34Å; E227-M230 WeakPolarHBondContact O-CB 3.28Å; E227-M230 PolarHBondContact O-N 3.21Å; E227-M230 VanDerWaalsContact O-N 3.16Å; M230-L232 PolarHBondContact O-N 3.03Å; M230-A233 PolarHBondContact O-N 2.98Å; M230-I234 HydrophobicContact CG-CD1 3.9Å; M230-I234 HydrophobicContact CG-CG1 4.41Å; M230-I234 WeakPolarHBondContact O-CG1 3.45Å; M230-I234 PolarHBondContact O-N 3.33Å; M230-I234 HydrophobicContact SD-CD1 4.21Å; M230-I234 HydrophobicContact SD-CG1 4.26Å; M230-L255 HydrophobicContact CE-CD1 3.96Å; M230-L255 HydrophobicContact SD-CD1 4.17Å; M230-L255 HydrophobicContact SD-CD2 4.12Å; M230-C260 HydrophobicContact CE-CB 3.45Å; M230-C260 VanDerWaalsContact CE-CB 3.45Å; M230-F262 HydrophobicContact CE-CE2 4.04Å; M230-F262 HydrophobicContact SD-CE2 3.63Å; M230-F262 HydrophobicContact SD-CZ 3.77Å
231G92.9Very high93.8Very high58 Ų5862 Ų6260%0.59833%0.33SS*.Hα-helixtrans-63-26.1174.500000114.2L229 G235L229-G231 VanDerWaalsContact C-N 3.27Å; L229-G231 PolarHBondContact O-N 2.9Å; G231-G235 WeakPolarHBondContact O-CA 3.41Å; G231-G235 PolarHBondContact O-N 3.49Å
232L93.8Very high93.9Very high56 Ų5665.1 Ų65.129%0.29334%0.344SS..Hα-helixtrans-80-41173-60.7173.2000111.2L229 M230 G235 N240 F281 V314 V383L229-L232 HydrophobicContact CD2-CD1 4.14Å; L229-L232 WeakPolarHBondContact O-CA 3.32Å; L229-L232 WeakPolarHBondContact O-CB 3.29Å; L229-L232 PolarHBondContact O-N 3.16Å; M230-L232 PolarHBondContact O-N 3.03Å; L232-G235 PolarHBondContact O-N 3.39Å; L232-N240 PolarHBondContact O-ND2 3.08Å; L232-F281 HydrophobicContact CB-CD1 3.73Å; L232-F281 HydrophobicContact CB-CD2 4.37Å; L232-F281 HydrophobicContact CB-CE1 3.83Å; L232-F281 HydrophobicContact CB-CE2 4.45Å; L232-F281 HydrophobicContact CB-CG 4.01Å; L232-F281 HydrophobicContact CB-CZ 4.19Å; L232-F281 HydrophobicContact CD1-CD1 4.19Å; L232-F281 WeakPolarHBondContact O-CE2 3.29Å; L232-V314 HydrophobicContact CD1-CG2 4.49Å; L232-V314 HydrophobicContact CD2-CG1 4.47Å; L232-V383 HydrophobicContact CD1-CG1 4.2Å
233A94.2Very high93.9Very high0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-64-43.817700000112.8V225 L229 M230 N240 F262 L279 F281V225-A233 HydrophobicContact CG1-CB 3.98Å; V225-A233 HydrophobicContact CG2-CB 4.25Å; L229-A233 PolarHBondContact O-N 3.35Å; L229-A233 VanDerWaalsContact O-N 3.15Å; M230-A233 PolarHBondContact O-N 2.98Å; A233-N240 VanDerWaalsContact O-CB 3.25Å; A233-N240 WeakPolarHBondContact O-CB 3.41Å; A233-F262 HydrophobicContact CB-CE2 4.09Å; A233-F262 HydrophobicContact CB-CZ 4.19Å; A233-L279 VanDerWaalsContact CB-O 3.26Å; A233-L279 WeakPolarHBondContact CB-O 3.43Å; A233-L279 WeakPolarHBondContact O-CD2 3.4Å; A233-F281 VanDerWaalsContact CA-CD2 3.48Å; A233-F281 HydrophobicContact CB-CD2 3.9Å
234I93.6Very high93.9Very high55 Ų5564 Ų6428%0.28234%0.339SS..Hα-helixtrans-69-41172.7-65.1173.1000110.1M230 G238 A239 N240 I241 L255M230-I234 HydrophobicContact CG-CD1 3.9Å; M230-I234 HydrophobicContact CG-CG1 4.41Å; M230-I234 WeakPolarHBondContact O-CG1 3.45Å; M230-I234 PolarHBondContact O-N 3.33Å; M230-I234 HydrophobicContact SD-CD1 4.21Å; M230-I234 HydrophobicContact SD-CG1 4.26Å; I234-G238 CarbonylContact O-C 3.2Å; I234-G238 VanDerWaalsContact O-CA 3.22Å; I234-G238 WeakPolarHBondContact O-CA 3.45Å; I234-A239 PolarHBondContact O-N 3.34Å; I234-N240 PolarHBondContact O-N 2.86Å; I234-N240 VanDerWaalsContact O-N 3.1Å; I234-I241 HydrophobicContact CG2-CG2 4.21Å; I234-I241 PolarHBondContact O-N 2.99Å; I234-L255 HydrophobicContact CD1-CD2 4.25Å
235G92.3Very high93.9Very high13 Ų1363.8 Ų63.813%0.13433%0.331CS..  trans77.7165.1-17500000112.7G231 L232 H237 G238G231-G235 WeakPolarHBondContact O-CA 3.41Å; G231-G235 PolarHBondContact O-N 3.49Å; L232-G235 PolarHBondContact O-N 3.39Å; G235-H237 PolarHBondContact O-N 3.17Å; G235-G238 PolarHBondContact O-N 2.94Å
236T92.3Very high93.9Very high115 Ų11571 Ų7171%0.70636%0.362SS*.G310 helixtrans-59.2126.217954.30000110.4G238 A239T236-G238 PolarHBondContact O-N 3.24Å; T236-G238 VanDerWaalsContact O-N 3.13Å; T236-A239 WeakPolarHBondContact O-CB 3.5Å; T236-A239 PolarHBondContact O-N 2.69Å; T236-A239 VanDerWaalsContact O-N 3.12Å
237H90.9Very high93.9Very high189 Ų18965 Ų6588%0.87534%0.34SS*.G310 helixtrans54.824-173.5-52.188.5000115G235 Q242G235-H237 PolarHBondContact O-N 3.17Å; H237-Q242 PolarHBondContact O-NE2 3.38Å
238G92.4Very high93.9Very high10 Ų1062.3 Ų62.310%0.10334%0.338CS..G310 helixtrans77.419.7-177.900000114.5I234 G235 T236 N240 I241 Q242I234-G238 CarbonylContact O-C 3.2Å; I234-G238 VanDerWaalsContact O-CA 3.22Å; I234-G238 WeakPolarHBondContact O-CA 3.45Å; G235-G238 PolarHBondContact O-N 2.94Å; T236-G238 PolarHBondContact O-N 3.24Å; T236-G238 VanDerWaalsContact O-N 3.13Å; G238-N240 VanDerWaalsContact C-N 3.33Å; G238-N240 PolarHBondContact O-N 3.06Å; G238-I241 VanDerWaalsContact O-CG2 3.28Å; G238-I241 WeakPolarHBondContact O-CG2 3.42Å; G238-Q242 VanDerWaalsContact O-CB 3.27Å; G238-Q242 WeakPolarHBondContact O-CB 3.5Å; G238-Q242 WeakPolarHBondContact O-CG 3.2Å; G238-Q242 PolarHBondContact O-N 3.16Å
239A95.3Very high93.7Very high36 Ų3658.7 Ų58.730%0.29832%0.323SS..Hα-helixtrans-56.1-42.4-17600000113.6I234 T236 Q243I234-A239 PolarHBondContact O-N 3.34Å; T236-A239 WeakPolarHBondContact O-CB 3.5Å; T236-A239 PolarHBondContact O-N 2.69Å; T236-A239 VanDerWaalsContact O-N 3.12Å; A239-Q243 WeakPolarHBondContact O-CG 3.36Å; A239-Q243 PolarHBondContact O-N 3.19Å
240N94.2Very high93.6Very high43 Ų4359.7 Ų59.723%0.2333%0.329CS..Hα-helixtrans-74.9-46.3-175.9-68.8-4.5000110.9L232 A233 I234 G238 Q242 Q243 A244 L279L232-N240 PolarHBondContact O-ND2 3.08Å; A233-N240 VanDerWaalsContact O-CB 3.25Å; A233-N240 WeakPolarHBondContact O-CB 3.41Å; I234-N240 PolarHBondContact O-N 2.86Å; I234-N240 VanDerWaalsContact O-N 3.1Å; G238-N240 VanDerWaalsContact C-N 3.33Å; G238-N240 PolarHBondContact O-N 3.06Å; N240-Q242 VanDerWaalsContact C-N 3.28Å; N240-Q242 PolarHBondContact O-N 3Å; N240-Q243 PolarHBondContact O-N 2.62Å; N240-Q243 VanDerWaalsContact O-N 3.07Å; N240-A244 PolarHBondContact O-N 3.32Å; N240-L279 HydrophobicContact CB-CD2 4.29Å
241I94.6Very high93.4Very high23 Ų2361.4 Ų61.412%0.11834%0.341CS..Hα-helixtrans-62.9-33.4174.1-166.4175.3000112.4I234 G238 R245 F262 L279I234-I241 HydrophobicContact CG2-CG2 4.21Å; I234-I241 PolarHBondContact O-N 2.99Å; G238-I241 VanDerWaalsContact O-CG2 3.28Å; G238-I241 WeakPolarHBondContact O-CG2 3.42Å; I241-R245 WeakPolarHBondContact O-CB 3.43Å; I241-R245 VanDerWaalsContact O-CG 3.29Å; I241-R245 WeakPolarHBondContact O-CG 3.35Å; I241-R245 PolarHBondContact O-N 3.37Å; I241-F262 HydrophobicContact CD1-CE1 4.08Å; I241-L279 HydrophobicContact CB-CD2 4.21Å
242Q95.1Very high93.3Very high97 Ų9760.2 Ų60.245%0.45333%0.325SS..Hα-helixtrans-70.3-32.4172.2-74178.332.300113.3H237 G238 N240 K246H237-Q242 PolarHBondContact O-NE2 3.38Å; G238-Q242 VanDerWaalsContact O-CB 3.27Å; G238-Q242 WeakPolarHBondContact O-CB 3.5Å; G238-Q242 WeakPolarHBondContact O-CG 3.2Å; G238-Q242 PolarHBondContact O-N 3.16Å; N240-Q242 VanDerWaalsContact C-N 3.28Å; N240-Q242 PolarHBondContact O-N 3Å; Q242-K246 WeakPolarHBondContact O-CD 3.42Å; Q242-K246 WeakPolarHBondContact O-CG 3.42Å; Q242-K246 PolarHBondContact O-N 3.18Å
243Q94.9Very high93.3Very high100 Ų10057.5 Ų57.547%0.46731%0.311SS..Hα-helixtrans-69-44.5172.6-76.7179.69.200111.1A239 N240 R245 K246 V247A239-Q243 WeakPolarHBondContact O-CG 3.36Å; A239-Q243 PolarHBondContact O-N 3.19Å; N240-Q243 PolarHBondContact O-N 2.62Å; N240-Q243 VanDerWaalsContact O-N 3.07Å; Q243-R245 VanDerWaalsContact C-N 3.35Å; Q243-R245 PolarHBondContact O-N 3.45Å; Q243-K246 WeakPolarHBondContact O-CA 3.45Å; Q243-K246 WeakPolarHBondContact O-CB 3.43Å; Q243-K246 PolarHBondContact O-N 3.12Å; Q243-V247 PolarHBondContact O-N 2.85Å
244A95.9Very high93.3Very high0 Ų061.6 Ų61.60%033%0.333CS..Hα-helixtrans-58.4-43.4175.100000112.2N240 K246 V247 I253 A275 F278 L279N240-A244 PolarHBondContact O-N 3.32Å; A244-K246 PolarHBondContact O-N 3.36Å; A244-V247 WeakPolarHBondContact O-CB 3.33Å; A244-V247 WeakPolarHBondContact O-CG2 3.42Å; A244-V247 PolarHBondContact O-N 3.45Å; A244-I253 HydrophobicContact CB-CD1 3.55Å; A244-A275 HydrophobicContact CB-CB 4.23Å; A244-F278 HydrophobicContact CB-CB 4.19Å; A244-L279 HydrophobicContact CB-CD1 3.66Å; A244-L279 HydrophobicContact CB-CD2 4Å; A244-L279 HydrophobicContact CB-CG 3.8Å
245R94.9Very high93.3Very high118 Ų11861.2 Ų61.245%0.44533%0.331SS..THydrogen-bonded Turntrans-66.3-16.4173.4-70.9178.2-166.4-75.1-4.8114.7I241 Q243 I253I241-R245 WeakPolarHBondContact O-CB 3.43Å; I241-R245 VanDerWaalsContact O-CG 3.29Å; I241-R245 WeakPolarHBondContact O-CG 3.35Å; I241-R245 PolarHBondContact O-N 3.37Å; Q243-R245 VanDerWaalsContact C-N 3.35Å; Q243-R245 PolarHBondContact O-N 3.45Å; R245-I253 HydrophobicContact CG-CB 4.31Å; R245-I253 HydrophobicContact CG-CD1 3.99Å; R245-I253 HydrophobicContact CG-CG1 4.2Å; R245-I253 PolarHBondContact NH1-O 3.33Å; R245-I253 PolarHBondContact NH2-O 3.17Å
246K95.9Very high93.3Very high153 Ų15363.5 Ų63.567%0.66534%0.34SS*.THydrogen-bonded Turntrans-93.8-0.5176.7-74.3167.5-173.7169.40112.9Q242 Q243 A244 P248Q242-K246 WeakPolarHBondContact O-CD 3.42Å; Q242-K246 WeakPolarHBondContact O-CG 3.42Å; Q242-K246 PolarHBondContact O-N 3.18Å; Q243-K246 WeakPolarHBondContact O-CA 3.45Å; Q243-K246 WeakPolarHBondContact O-CB 3.43Å; Q243-K246 PolarHBondContact O-N 3.12Å; A244-K246 PolarHBondContact O-N 3.36Å; K246-P248 WeakPolarHBondContact O-CD 3.39Å
247V95.1Very high93.2Very high11 Ų1165.8 Ų65.87%0.06734%0.343CS..SBendtrans-66.3122.7173.5175.40000108.7Q243 A244 G249 V250 A271 K274 A275 F278Q243-V247 PolarHBondContact O-N 2.85Å; A244-V247 WeakPolarHBondContact O-CB 3.33Å; A244-V247 WeakPolarHBondContact O-CG2 3.42Å; A244-V247 PolarHBondContact O-N 3.45Å; V247-G249 PolarHBondContact O-N 2.95Å; V247-V250 HydrophobicContact CB-CG2 3.76Å; V247-V250 HydrophobicContact CG1-CG2 3.95Å; V247-V250 WeakPolarHBondContact O-CB 3.48Å; V247-V250 PolarHBondContact O-N 3.16Å; V247-V250 VanDerWaalsContact O-N 3.14Å; V247-A271 HydrophobicContact CG1-CB 4.38Å; V247-K274 HydrophobicContact CG1-CB 4.25Å; V247-K274 HydrophobicContact CG1-CD 4.18Å; V247-K274 HydrophobicContact CG1-CG 4.25Å; V247-K274 HydrophobicContact CG2-CG 4.44Å; V247-A275 HydrophobicContact CB-CB 4.47Å; V247-A275 HydrophobicContact CG2-CB 4.32Å; V247-F278 HydrophobicContact CG2-CD2 4.15Å; V247-F278 HydrophobicContact CG2-CE2 3.76Å
248P92.4Very high93.2Very high112 Ų11264.4 Ų64.473%0.72734%0.342SS*.THydrogen-bonded Turntrans-56.6136.7175.7-24.734.9000111.1K246 A271K246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-A271 VanDerWaalsContact O-CB 3.24Å; P248-A271 WeakPolarHBondContact O-CB 3.29Å
249G89.6Confident93.1Very high19 Ų1967.3 Ų67.320%0.19636%0.358CS..THydrogen-bonded Turntrans86.2-4.5-175.800000115.1V247 G266 E267V247-G249 PolarHBondContact O-N 2.95Å; G249-G266 CarbonylContact O-C 3.45Å; G249-G266 WeakPolarHBondContact O-CA 3.28Å; G249-E267 PolarHBondContact O-N 3.38Å
250V91.6Very high93.1Very high23 Ų2366.7 Ų66.714%0.13935%0.351CS..EExtended strand (participates in β ladder)trans-85.6127.5169.21770000109.9V247 I253 I264 A271 A275V247-V250 HydrophobicContact CB-CG2 3.76Å; V247-V250 HydrophobicContact CG1-CG2 3.95Å; V247-V250 WeakPolarHBondContact O-CB 3.48Å; V247-V250 PolarHBondContact O-N 3.16Å; V247-V250 VanDerWaalsContact O-N 3.14Å; V250-I253 HydrophobicContact CG1-CD1 4.18Å; V250-I253 HydrophobicContact CG1-CG1 3.84Å; V250-I264 HydrophobicContact CG1-CG2 4.39Å; V250-A271 HydrophobicContact CG2-CB 4.32Å; V250-A275 HydrophobicContact CG2-CB 3.67Å
251T89.5Confident93.1Very high58 Ų5865.4 Ų65.436%0.35635%0.345SS..EExtended strand (participates in β ladder)trans-101.1-38.8-178.256.60000112.5A216 Y265 E267A216-T251 HydrophobicContact CB-CG2 3.79Å; A216-T251 PolarHBondContact O-OG1 3.09Å; T251-Y265 PolarHBondContact N-O 2.79Å; T251-Y265 VanDerWaalsContact OG1-C 3.29Å; T251-Y265 PolarHBondContact OG1-O 2.92Å; T251-E267 HydrophobicContact CG2-CG 3.85Å
252A90.9Very high93.2Very high33 Ų3364.3 Ų64.327%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-149.6153.8176.100000111.7Y265A252-Y265 HydrophobicContact CB-CD2 3.98Å; A252-Y265 PolarHBondContact N-O 3.21Å; A252-Y265 PolarHBondContact O-N 3.48Å
253I93.8Very high93.1Very high0 Ų061.7 Ų61.70%033%0.327CS..EExtended strand (participates in β ladder)trans-134.4120.6166-58.8-174.8000105.9A244 R245 V250 F262 H263 I264 A275 L279A244-I253 HydrophobicContact CB-CD1 3.55Å; R245-I253 HydrophobicContact CG-CB 4.31Å; R245-I253 HydrophobicContact CG-CD1 3.99Å; R245-I253 HydrophobicContact CG-CG1 4.2Å; R245-I253 PolarHBondContact NH1-O 3.33Å; R245-I253 PolarHBondContact NH2-O 3.17Å; V250-I253 HydrophobicContact CG1-CD1 4.18Å; V250-I253 HydrophobicContact CG1-CG1 3.84Å; I253-F262 HydrophobicContact CG2-CD1 4.05Å; I253-H263 CarbonylContact C-O 3.48Å; I253-H263 VanDerWaalsContact CA-O 3.31Å; I253-H263 WeakPolarHBondContact CA-O 3.31Å; I253-I264 HydrophobicContact CD1-CD1 4.36Å; I253-I264 HydrophobicContact CD1-CG1 4.36Å; I253-I264 HydrophobicContact CG1-CG1 4.14Å; I253-I264 HydrophobicContact CG1-CG2 4.22Å; I253-I264 HydrophobicContact CG2-CG1 4.19Å; I253-A275 HydrophobicContact CD1-CB 4.35Å; I253-L279 HydrophobicContact CD1-CD1 4.11Å; I253-L279 HydrophobicContact CG2-CD1 4.25Å
254D93.4Very high93.1Very high85 Ų8557 Ų5746%0.45531%0.305SS..EExtended strand (participates in β ladder)trans-113.4148.2175.4-60-41.2000108.7F262 H263D254-F262 WeakPolarHBondContact O-CA 3.38Å; D254-H263 HydrophobicContact CB-CB 4.43Å; D254-H263 PolarHBondContact N-O 3.24Å; D254-H263 PolarHBondContact O-N 3.35Å
255L93.6Very high92.9Very high47 Ų4760.4 Ų60.425%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-123.1121.6175.8171.263.5000107.1M230 I234 E257 F262M230-L255 HydrophobicContact CE-CD1 3.96Å; M230-L255 HydrophobicContact SD-CD1 4.17Å; M230-L255 HydrophobicContact SD-CD2 4.12Å; I234-L255 HydrophobicContact CD1-CD2 4.25Å; L255-E257 HydrophobicContact CD2-CG 4.43Å; L255-E257 HydrophobicContact CG-CG 4.39Å; L255-F262 HydrophobicContact CB-CD1 4.3Å; L255-F262 HydrophobicContact CB-CE1 4.2Å; L255-F262 HydrophobicContact CD1-CD1 4.19Å; L255-F262 HydrophobicContact CD1-CD2 4.03Å; L255-F262 HydrophobicContact CD1-CE1 4.05Å; L255-F262 HydrophobicContact CD1-CE2 3.89Å; L255-F262 HydrophobicContact CD1-CG 4.19Å; L255-F262 HydrophobicContact CD1-CZ 3.9Å; L255-F262 HydrophobicContact CD2-CE1 4.38Å; L255-F262 HydrophobicContact CD2-CZ 4.26Å; L255-F262 HydrophobicContact CG-CE1 4.44Å
256D92.9Very high92.7Very high61 Ų6154.8 Ų54.833%0.32630%0.297SS..EExtended strand (participates in β ladder)trans-84.7109.1164.8179.710.2000108.2D258 T259 C260 T261D256-D258 PolarHBondContact OD1-N 2.82Å; D256-T259 WeakPolarHBondContact OD2-CB 3.2Å; D256-T259 VanDerWaalsContact OD2-CG2 3.24Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.43Å; D256-T259 PolarHBondContact OD2-OG1 3.05Å; D256-C260 CarbonylContact O-C 3.57Å; D256-C260 VanDerWaalsContact O-CA 3.23Å; D256-C260 WeakPolarHBondContact O-CA 3.17Å; D256-C260 PolarHBondContact O-N 3.04Å; D256-T261 PolarHBondContact N-O 2.82Å; D256-T261 PolarHBondContact O-N 3.06Å; D256-T261 VanDerWaalsContact O-N 3.14Å
257E89.7Confident92.3Very high163 Ų16351.6 Ų51.676%0.76229%0.285SS*.THydrogen-bonded Turntrans-70-31.7-177.2-64.5-177.7178.600111.8L255L255-E257 HydrophobicContact CD2-CG 4.43Å; L255-E257 HydrophobicContact CG-CG 4.39Å
258D90.4Very high92Very high160 Ų16055.6 Ų55.686%0.85631%0.306SS*.THydrogen-bonded Turntrans-71-34.4-178-73.1-25.7000112D256D256-D258 PolarHBondContact OD1-N 2.82Å
259T92.1Very high91.9Very high72 Ų7253.2 Ų53.244%0.44229%0.285SS..THydrogen-bonded Turntrans-105.4-4.2179.767.10000114D256 T261D256-T259 WeakPolarHBondContact OD2-CB 3.2Å; D256-T259 VanDerWaalsContact OD2-CG2 3.24Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.43Å; D256-T259 PolarHBondContact OD2-OG1 3.05Å; T259-T261 WeakPolarHBondContact CB-OG1 3.49Å; T259-T261 PolarHBondContact O-N 3.4Å; T259-T261 VanDerWaalsContact OG1-CB 3.3Å; T259-T261 WeakPolarHBondContact OG1-CB 3.48Å; T259-T261 PolarHBondContact OG1-OG1 2.93Å
260C93.4Very high92.1Very high23 Ų2358.2 Ų58.216%0.15531%0.307CS..THydrogen-bonded Turntrans5434.3-170.9-680000113.5V225 M230 D256V225-C260 PolarHBondContact N-O 3.13Å; V225-C260 WeakPolarHBondContact O-CB 3.46Å; M230-C260 HydrophobicContact CE-CB 3.45Å; M230-C260 VanDerWaalsContact CE-CB 3.45Å; D256-C260 CarbonylContact O-C 3.57Å; D256-C260 VanDerWaalsContact O-CA 3.23Å; D256-C260 WeakPolarHBondContact O-CA 3.17Å; D256-C260 PolarHBondContact O-N 3.04Å
261T94.6Very high92.2Very high16 Ų1657.5 Ų57.510%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-99.3125.2-177.2-52.70000111.5Q222 I224 D256 T259Q222-T261 HydrophobicContact CB-CG2 4.47Å; I224-T261 HydrophobicContact CG1-CG2 4.38Å; D256-T261 PolarHBondContact N-O 2.82Å; D256-T261 PolarHBondContact O-N 3.06Å; D256-T261 VanDerWaalsContact O-N 3.14Å; T259-T261 WeakPolarHBondContact CB-OG1 3.49Å; T259-T261 PolarHBondContact O-N 3.4Å; T259-T261 VanDerWaalsContact OG1-CB 3.3Å; T259-T261 WeakPolarHBondContact OG1-CB 3.48Å; T259-T261 PolarHBondContact OG1-OG1 2.93Å
262F96.3Very high92.4Very high0 Ų054.8 Ų54.80%029%0.287CS..EExtended strand (participates in β ladder)trans-87.8135.5168.2-75.5-87.5000110.8Q222 F223 V225 M230 A233 I241 I253 D254 L255 L279Q222-F262 VanDerWaalsContact CA-O 3.25Å; Q222-F262 WeakPolarHBondContact CA-O 3.29Å; F223-F262 HydrophobicContact CD1-CB 4.27Å; F223-F262 HydrophobicContact CD2-CB 4.38Å; F223-F262 HydrophobicContact CD2-CD2 4.39Å; F223-F262 HydrophobicContact CE1-CB 3.66Å; F223-F262 HydrophobicContact CE1-CG 4.48Å; F223-F262 HydrophobicContact CE2-CB 3.8Å; F223-F262 AromaticContact CE2-CD2 3.62Å; F223-F262 HydrophobicContact CE2-CD2 3.62Å; F223-F262 HydrophobicContact CE2-CE2 4.48Å; F223-F262 AromaticContact CE2-CG 3.93Å; F223-F262 HydrophobicContact CE2-CG 3.93Å; F223-F262 HydrophobicContact CZ-CB 3.38Å; F223-F262 AromaticContact CZ-CD2 3.93Å; F223-F262 HydrophobicContact CZ-CD2 3.93Å; F223-F262 AromaticContact CZ-CG 3.73Å; F223-F262 HydrophobicContact CZ-CG 3.73Å; F223-F262 PolarHBondContact N-O 2.82Å; F223-F262 PolarHBondContact O-N 2.92Å; V225-F262 HydrophobicContact CB-CD2 4.46Å; V225-F262 HydrophobicContact CB-CE2 4.18Å; V225-F262 HydrophobicContact CG2-CD2 3.78Å; V225-F262 HydrophobicContact CG2-CE2 3.73Å; M230-F262 HydrophobicContact CE-CE2 4.04Å; M230-F262 HydrophobicContact SD-CE2 3.63Å; M230-F262 HydrophobicContact SD-CZ 3.77Å; A233-F262 HydrophobicContact CB-CE2 4.09Å; A233-F262 HydrophobicContact CB-CZ 4.19Å; I241-F262 HydrophobicContact CD1-CE1 4.08Å; I253-F262 HydrophobicContact CG2-CD1 4.05Å; D254-F262 WeakPolarHBondContact O-CA 3.38Å; L255-F262 HydrophobicContact CB-CD1 4.3Å; L255-F262 HydrophobicContact CB-CE1 4.2Å; L255-F262 HydrophobicContact CD1-CD1 4.19Å; L255-F262 HydrophobicContact CD1-CD2 4.03Å; L255-F262 HydrophobicContact CD1-CE1 4.05Å; L255-F262 HydrophobicContact CD1-CE2 3.89Å; L255-F262 HydrophobicContact CD1-CG 4.19Å; L255-F262 HydrophobicContact CD1-CZ 3.9Å; L255-F262 HydrophobicContact CD2-CE1 4.38Å; L255-F262 HydrophobicContact CD2-CZ 4.26Å; L255-F262 HydrophobicContact CG-CE1 4.44Å; F262-L279 HydrophobicContact CD1-CD1 4.06Å; F262-L279 HydrophobicContact CE1-CD1 4.13Å
263H94.4Very high92.6Very high42 Ų4258.3 Ų58.319%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-115.3119.1169.2-64-100.5000108.5H220 Q222 I253 D254 Y265H220-H263 AromaticContact CE1-ND1 3.6Å; H220-H263 AromaticContact NE2-CG 3.81Å; H220-H263 AromaticContact NE2-ND1 3.23Å; H220-H263 PolarHBondContact NE2-ND1 3.07Å; Q222-H263 PolarHBondContact OE1-CE1 3.14Å; I253-H263 CarbonylContact C-O 3.48Å; I253-H263 VanDerWaalsContact CA-O 3.31Å; I253-H263 WeakPolarHBondContact CA-O 3.31Å; D254-H263 HydrophobicContact CB-CB 4.43Å; D254-H263 PolarHBondContact N-O 3.24Å; D254-H263 PolarHBondContact O-N 3.35Å; H263-Y265 HydrophobicContact CB-CE2 3.88Å
264I94.8Very high92.6Very high0 Ų064.1 Ų64.10%032%0.322CS..EExtended strand (participates in β ladder)trans-112.8125.7179.7-58.5-174000108.9H220 E221 F223 V250 I253 V272 A275 R276 L279H220-I264 WeakPolarHBondContact CA-O 3.32Å; H220-I264 PolarHBondContact CD2-O 3.06Å; E221-I264 HydrophobicContact CB-CB 4.43Å; E221-I264 PolarHBondContact N-O 2.97Å; E221-I264 PolarHBondContact O-N 3.36Å; F223-I264 HydrophobicContact CE1-CD1 3.71Å; F223-I264 HydrophobicContact CE1-CG1 4.16Å; F223-I264 HydrophobicContact CZ-CD1 4.21Å; V250-I264 HydrophobicContact CG1-CG2 4.39Å; I253-I264 HydrophobicContact CD1-CD1 4.36Å; I253-I264 HydrophobicContact CD1-CG1 4.36Å; I253-I264 HydrophobicContact CG1-CG1 4.14Å; I253-I264 HydrophobicContact CG1-CG2 4.22Å; I253-I264 HydrophobicContact CG2-CG1 4.19Å; I264-V272 HydrophobicContact CG2-CB 3.88Å; I264-V272 HydrophobicContact CG2-CG1 3.94Å; I264-A275 HydrophobicContact CD1-CB 3.95Å; I264-A275 HydrophobicContact CG2-CB 4Å; I264-R276 HydrophobicContact CD1-CB 4.05Å; I264-L279 HydrophobicContact CD1-CD1 4.28Å
265Y91.8Very high92.8Very high72 Ų7260.1 Ų60.128%0.28230%0.3SS..EExtended strand (participates in β ladder)trans-113.1143.3178.2-59-79.7000110.5F219 H220 T251 A252 H263F219-Y265 WeakPolarHBondContact O-CA 3.14Å; H220-Y265 HydrophobicContact CB-CD1 4.07Å; H220-Y265 HydrophobicContact CB-CE1 4.07Å; H220-Y265 AromaticContact CD2-CD1 3.74Å; H220-Y265 AromaticContact CD2-CE1 3.32Å; H220-Y265 WeakPolarHBondContact CD2-CE1 3.35Å; H220-Y265 AromaticContact CD2-CZ 3.7Å; H220-Y265 AromaticContact CG-CE1 3.69Å; T251-Y265 PolarHBondContact N-O 2.79Å; T251-Y265 VanDerWaalsContact OG1-C 3.29Å; T251-Y265 PolarHBondContact OG1-O 2.92Å; A252-Y265 HydrophobicContact CB-CD2 3.98Å; A252-Y265 PolarHBondContact N-O 3.21Å; A252-Y265 PolarHBondContact O-N 3.48Å; H263-Y265 HydrophobicContact CB-CE2 3.88Å
266G90.6Very high92.9Very high0 Ų060.5 Ų60.50%030%0.298CS..EExtended strand (participates in β ladder)trans-165.2169.2179.800000115.3F219 G249F219-G266 PolarHBondContact N-O 3.03Å; F219-G266 VanDerWaalsContact N-O 3.09Å; F219-G266 PolarHBondContact O-N 3.44Å; G249-G266 CarbonylContact O-C 3.45Å; G249-G266 WeakPolarHBondContact O-CA 3.28Å
267E87.3Confident93Very high87 Ų8759.2 Ų59.241%0.40729%0.294SS..SBendtrans-77.7-27.9178.4-61.1178176.200111.8L215 F219 G249 T251L215-E267 HydrophobicContact CB-CG 4.5Å; F219-E267 WeakPolarHBondContact CD2-O 3.46Å; F219-E267 WeakPolarHBondContact CE2-O 3.39Å; G249-E267 PolarHBondContact O-N 3.38Å; T251-E267 HydrophobicContact CG2-CG 3.85Å
268D88Confident93.3Very high94 Ų9454.7 Ų54.750%0.50327%0.272SS..SBendtrans-131143-177.5-68.5-53.2000113.2F219 D270 A271 V272F219-D268 VanDerWaalsContact CD2-C 3.5Å; D268-D270 VanDerWaalsContact C-N 3.27Å; D268-D270 PolarHBondContact O-N 3.14Å; D268-A271 HydrophobicContact CB-CB 4.09Å; D268-A271 WeakPolarHBondContact O-CB 3.42Å; D268-A271 PolarHBondContact O-N 2.85Å; D268-V272 PolarHBondContact O-N 3.5Å
269Q91Very high93.5Very high62 Ų6247 Ų4729%0.2923%0.231SC..Hα-helixtrans-59.6-34.3175.8-177.659.879.500113.3F219 E221 V272 K273F219-Q269 HydrophobicContact CD1-CB 3.73Å; F219-Q269 HydrophobicContact CD1-CG 4.43Å; F219-Q269 HydrophobicContact CE1-CB 3.78Å; F219-Q269 HydrophobicContact CG-CB 4.21Å; F219-Q269 HydrophobicContact CZ-CB 4.29Å; E221-Q269 PolarHBondContact OE1-NE2 2.92Å; Q269-V272 WeakPolarHBondContact O-CG2 3.2Å; Q269-K273 HydrophobicContact CG-CD 4.32Å; Q269-K273 WeakPolarHBondContact O-CB 3.44Å; Q269-K273 WeakPolarHBondContact O-CG 3.22Å; Q269-K273 PolarHBondContact O-N 3.25Å
270D93.4Very high93.7Very high124 Ų12444.5 Ų44.566%0.66321%0.214SC*.Hα-helixtrans-77.4-31.6-179.9-67.4-22.4000111.8D268 K274D268-D270 VanDerWaalsContact C-N 3.27Å; D268-D270 PolarHBondContact O-N 3.14Å; D270-K274 WeakPolarHBondContact O-CB 3.22Å; D270-K274 PolarHBondContact O-N 3.5Å
271A93.8Very high93.9Very high9 Ų944.3 Ų44.37%0.07421%0.211CC..Hα-helixtrans-64.9-47.9174.200000111V247 P248 V250 D268 K274 A275V247-A271 HydrophobicContact CG1-CB 4.38Å; P248-A271 VanDerWaalsContact O-CB 3.24Å; P248-A271 WeakPolarHBondContact O-CB 3.29Å; V250-A271 HydrophobicContact CG2-CB 4.32Å; D268-A271 HydrophobicContact CB-CB 4.09Å; D268-A271 WeakPolarHBondContact O-CB 3.42Å; D268-A271 PolarHBondContact O-N 2.85Å; A271-K274 PolarHBondContact O-N 3.41Å; A271-A275 WeakPolarHBondContact O-CB 3.44Å; A271-A275 PolarHBondContact O-N 3.45Å
272V93.9Very high94Very high0 Ų044.5 Ų44.50%021%0.214CC..Hα-helixtrans-66.3-38.5178.7-600000112.4F219 E221 I264 D268 Q269 A275 R276F219-V272 HydrophobicContact CB-CG1 4.24Å; F219-V272 HydrophobicContact CB-CG2 4.04Å; E221-V272 HydrophobicContact CB-CB 4.31Å; E221-V272 HydrophobicContact CB-CG2 4.39Å; E221-V272 HydrophobicContact CG-CB 3.88Å; E221-V272 HydrophobicContact CG-CG2 3.48Å; E221-V272 VanDerWaalsContact CG-CG2 3.48Å; I264-V272 HydrophobicContact CG2-CB 3.88Å; I264-V272 HydrophobicContact CG2-CG1 3.94Å; D268-V272 PolarHBondContact O-N 3.5Å; Q269-V272 WeakPolarHBondContact O-CG2 3.2Å; V272-A275 PolarHBondContact O-N 3.39Å; V272-R276 WeakPolarHBondContact O-CB 3.3Å; V272-R276 PolarHBondContact O-N 3.32Å
273K94.9Very high93.9Very high107 Ų10747 Ų4747%0.46523%0.225SC..Hα-helixtrans-64.4-42.8173.2-80.1174.2176.4173.60112.7Q269 A275 R276 S277Q269-K273 HydrophobicContact CG-CD 4.32Å; Q269-K273 WeakPolarHBondContact O-CB 3.44Å; Q269-K273 WeakPolarHBondContact O-CG 3.22Å; Q269-K273 PolarHBondContact O-N 3.25Å; K273-A275 VanDerWaalsContact C-N 3.32Å; K273-A275 PolarHBondContact O-N 3.21Å; K273-R276 WeakPolarHBondContact O-CB 3.37Å; K273-R276 PolarHBondContact O-N 2.97Å; K273-S277 PolarHBondContact O-N 3.05Å
274K95.3Very high94Very high123 Ų12349 Ų4954%0.53524%0.238SC..Hα-helixtrans-67.4-33177.7-175.8173-177.2176.20112.4V247 D270 A271 S277 F278V247-K274 HydrophobicContact CG1-CB 4.25Å; V247-K274 HydrophobicContact CG1-CD 4.18Å; V247-K274 HydrophobicContact CG1-CG 4.25Å; V247-K274 HydrophobicContact CG2-CG 4.44Å; D270-K274 WeakPolarHBondContact O-CB 3.22Å; D270-K274 PolarHBondContact O-N 3.5Å; A271-K274 PolarHBondContact O-N 3.41Å; K274-S277 PolarHBondContact O-OG 2.81Å; K274-F278 HydrophobicContact CG-CE2 4.26Å; K274-F278 WeakPolarHBondContact O-CD2 3.33Å; K274-F278 WeakPolarHBondContact O-CE2 3.33Å
275A96Very high93.9Very high0 Ų052.2 Ų52.20%026%0.257CS..Hα-helixtrans-71.7-37.7171.800000112.4A244 V247 V250 I253 I264 A271 V272 K273 S277 F278A244-A275 HydrophobicContact CB-CB 4.23Å; V247-A275 HydrophobicContact CB-CB 4.47Å; V247-A275 HydrophobicContact CG2-CB 4.32Å; V250-A275 HydrophobicContact CG2-CB 3.67Å; I253-A275 HydrophobicContact CD1-CB 4.35Å; I264-A275 HydrophobicContact CD1-CB 3.95Å; I264-A275 HydrophobicContact CG2-CB 4Å; A271-A275 WeakPolarHBondContact O-CB 3.44Å; A271-A275 PolarHBondContact O-N 3.45Å; V272-A275 PolarHBondContact O-N 3.39Å; K273-A275 VanDerWaalsContact C-N 3.32Å; K273-A275 PolarHBondContact O-N 3.21Å; A275-S277 PolarHBondContact O-N 2.93Å; A275-F278 PolarHBondContact O-N 3.35Å
276R96.5Very high94Very high55 Ų5549.6 Ų49.621%0.20825%0.248CC..Hα-helixtrans-58.6-43.1173.3172.8172.3178.1150.411.8112.1E221 Q222 F223 I264 V272 K273 F278 L279 E280E221-R276 IonicContact OE2-CZ 3.64Å; E221-R276 IonicContact OE2-NH1 2.74Å; E221-R276 PolarHBondContact OE2-NH1 3.26Å; Q222-R276 PolarHBondContact O-NH1 3.14Å; F223-R276 HydrophobicContact CD1-CB 4.37Å; F223-R276 HydrophobicContact CD1-CG 3.68Å; F223-R276 HydrophobicContact CE1-CB 3.99Å; F223-R276 HydrophobicContact CE1-CG 3.72Å; F223-R276 HydrophobicContact CG-CG 4.35Å; F223-R276 HydrophobicContact CZ-CG 4.41Å; I264-R276 HydrophobicContact CD1-CB 4.05Å; V272-R276 WeakPolarHBondContact O-CB 3.3Å; V272-R276 PolarHBondContact O-N 3.32Å; K273-R276 WeakPolarHBondContact O-CB 3.37Å; K273-R276 PolarHBondContact O-N 2.97Å; R276-F278 VanDerWaalsContact C-N 3.27Å; R276-F278 PolarHBondContact O-N 2.93Å; R276-L279 PolarHBondContact O-N 3.3Å; R276-E280 HydrophobicContact CG-CB 4.21Å; R276-E280 WeakPolarHBondContact CG-OE2 3.41Å; R276-E280 IonicContact CZ-OE1 2.78Å; R276-E280 IonicContact CZ-OE2 2.75Å; R276-E280 IonicContact NE-OE1 2.84Å; R276-E280 IonicContact NE-OE2 3.24Å; R276-E280 PolarHBondContact NE-OE2 2.7Å; R276-E280 IonicContact NH2-OE1 2.88Å; R276-E280 PolarHBondContact NH2-OE1 2.9Å; R276-E280 IonicContact NH2-OE2 2.95Å; R276-E280 PolarHBondContact NH2-OE2 2.91Å; R276-E280 WeakPolarHBondContact O-CB 3.25Å; R276-E280 PolarHBondContact O-N 3.34Å
277S95.6Very high94.1Very high35 Ų3554.1 Ų54.125%0.24527%0.269CS..Hα-helixtrans-67.3-19.7-178.864.60000115.3K273 K274 A275 L279 T385 D387K273-S277 PolarHBondContact O-N 3.05Å; K274-S277 PolarHBondContact O-OG 2.81Å; A275-S277 PolarHBondContact O-N 2.93Å; S277-L279 VanDerWaalsContact C-N 3.32Å; S277-T385 WeakPolarHBondContact O-CG2 3.41Å; S277-D387 WeakPolarHBondContact CB-OD2 3.5Å
278F94.4Very high94.4Very high67 Ų6750 Ų5029%0.29425%0.25SC..THydrogen-bonded Turntrans-74.5-19.4169.9-71.9-72.2000113.8A244 V247 K274 A275 R276A244-F278 HydrophobicContact CB-CB 4.19Å; V247-F278 HydrophobicContact CG2-CD2 4.15Å; V247-F278 HydrophobicContact CG2-CE2 3.76Å; K274-F278 HydrophobicContact CG-CE2 4.26Å; K274-F278 WeakPolarHBondContact O-CD2 3.33Å; K274-F278 WeakPolarHBondContact O-CE2 3.33Å; A275-F278 PolarHBondContact O-N 3.35Å; R276-F278 VanDerWaalsContact C-N 3.27Å; R276-F278 PolarHBondContact O-N 2.93Å
279L96.5Very high94.6Very high0 Ų046.8 Ų46.80%023%0.234CC..THydrogen-bonded Turntrans-122.6-23.5-165.4-57.9-176.9000113.8F223 V225 A233 N240 I241 A244 I253 F262 I264 R276 S277 F281F223-L279 HydrophobicContact CE2-CB 4.03Å; F223-L279 HydrophobicContact CZ-CB 3.66Å; V225-L279 WeakPolarHBondContact CG2-O 3.45Å; A233-L279 VanDerWaalsContact CB-O 3.26Å; A233-L279 WeakPolarHBondContact CB-O 3.43Å; A233-L279 WeakPolarHBondContact O-CD2 3.4Å; N240-L279 HydrophobicContact CB-CD2 4.29Å; I241-L279 HydrophobicContact CB-CD2 4.21Å; A244-L279 HydrophobicContact CB-CD1 3.66Å; A244-L279 HydrophobicContact CB-CD2 4Å; A244-L279 HydrophobicContact CB-CG 3.8Å; I253-L279 HydrophobicContact CD1-CD1 4.11Å; I253-L279 HydrophobicContact CG2-CD1 4.25Å; F262-L279 HydrophobicContact CD1-CD1 4.06Å; F262-L279 HydrophobicContact CE1-CD1 4.13Å; I264-L279 HydrophobicContact CD1-CD1 4.28Å; R276-L279 PolarHBondContact O-N 3.3Å; S277-L279 VanDerWaalsContact C-N 3.32Å; L279-F281 PolarHBondContact O-N 3.03Å
280E96.3Very high94.5Very high19 Ų1950.9 Ų50.99%0.08925%0.247CC..  trans-77.871.8-178.5-165.9172.3-162.200111.6F223 R276 T385 K386F223-E280 HydrophobicContact CB-CG 4.44Å; F223-E280 HydrophobicContact CD2-CB 3.8Å; F223-E280 HydrophobicContact CD2-CG 3.74Å; F223-E280 HydrophobicContact CE2-CB 3.88Å; F223-E280 HydrophobicContact CE2-CG 4.33Å; F223-E280 HydrophobicContact CG-CB 4.37Å; F223-E280 HydrophobicContact CG-CG 4.17Å; R276-E280 HydrophobicContact CG-CB 4.21Å; R276-E280 WeakPolarHBondContact CG-OE2 3.41Å; R276-E280 IonicContact CZ-OE1 2.78Å; R276-E280 IonicContact CZ-OE2 2.75Å; R276-E280 IonicContact NE-OE1 2.84Å; R276-E280 IonicContact NE-OE2 3.24Å; R276-E280 PolarHBondContact NE-OE2 2.7Å; R276-E280 IonicContact NH2-OE1 2.88Å; R276-E280 PolarHBondContact NH2-OE1 2.9Å; R276-E280 IonicContact NH2-OE2 2.95Å; R276-E280 PolarHBondContact NH2-OE2 2.91Å; R276-E280 WeakPolarHBondContact O-CB 3.25Å; R276-E280 PolarHBondContact O-N 3.34Å; E280-T385 WeakPolarHBondContact O-CA 3.22Å; E280-K386 HydrophobicContact CG-CD 3.92Å; E280-K386 HydrophobicContact CG-CG 4.15Å; E280-K386 PolarHBondContact O-N 2.88Å; E280-K386 VanDerWaalsContact OE1-CE 3.29Å; E280-K386 WeakPolarHBondContact OE1-CE 3.43Å; E280-K386 IonicContact OE1-NZ 3.24Å; E280-K386 PolarHBondContact OE1-NZ 2.96Å
281F96.6Very high94.3Very high18 Ų1850.6 Ų50.68%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-75.9135.1171-79-97000111.2V225 L229 L232 A233 L279 V314 G384 T385V225-F281 HydrophobicContact CG1-CB 4.39Å; L229-F281 HydrophobicContact CB-CB 4.22Å; L232-F281 HydrophobicContact CB-CD1 3.73Å; L232-F281 HydrophobicContact CB-CD2 4.37Å; L232-F281 HydrophobicContact CB-CE1 3.83Å; L232-F281 HydrophobicContact CB-CE2 4.45Å; L232-F281 HydrophobicContact CB-CG 4.01Å; L232-F281 HydrophobicContact CB-CZ 4.19Å; L232-F281 HydrophobicContact CD1-CD1 4.19Å; L232-F281 WeakPolarHBondContact O-CE2 3.29Å; A233-F281 VanDerWaalsContact CA-CD2 3.48Å; A233-F281 HydrophobicContact CB-CD2 3.9Å; L279-F281 PolarHBondContact O-N 3.03Å; F281-V314 HydrophobicContact CE1-CG2 3.94Å; F281-G384 CarbonylContact C-O 3.58Å; F281-G384 WeakPolarHBondContact CA-O 3.48Å; F281-G384 VanDerWaalsContact CD1-C 3.46Å; F281-T385 HydrophobicContact CD1-CG2 4.36Å; F281-T385 HydrophobicContact CD2-CG2 4.04Å; F281-T385 HydrophobicContact CE1-CG2 4Å; F281-T385 HydrophobicContact CE2-CG2 3.66Å; F281-T385 HydrophobicContact CG-CG2 4.39Å; F281-T385 HydrophobicContact CZ-CG2 3.64Å
282A96.4Very high94.2Very high20 Ų2050.4 Ų50.417%0.16524%0.243CC..EExtended strand (participates in β ladder)trans-137.9172.4179.400000110.9L229 G384 K386 I389L229-A282 VanDerWaalsContact CD1-C 3.42Å; A282-G384 PolarHBondContact N-O 2.8Å; A282-G384 PolarHBondContact O-N 3.32Å; A282-K386 HydrophobicContact CB-CG 4.05Å; A282-I389 HydrophobicContact CB-CD1 4.07Å; A282-I389 WeakPolarHBondContact O-CD1 3.41Å
283E95.3Very high94Very high52 Ų5251.4 Ų51.424%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-126.7128.4167.4178.6159.3144.600106.9L229 R315 R317 V381 F382 V383L229-E283 HydrophobicContact CD1-CB 4.33Å; E283-R315 IonicContact OE2-NH2 3.92Å; E283-R317 IonicContact OE1-CZ 2.84Å; E283-R317 IonicContact OE1-NH2 3.09Å; E283-R317 PolarHBondContact OE1-NH2 3.29Å; E283-R317 IonicContact OE2-CZ 3.96Å; E283-R317 IonicContact OE2-NH2 2.58Å; E283-R317 PolarHBondContact OE2-NH2 2.64Å; E283-V381 HydrophobicContact CG-CG1 3.44Å; E283-V381 VanDerWaalsContact CG-CG1 3.44Å; E283-V381 WeakPolarHBondContact OE1-CG1 3.25Å; E283-F382 WeakPolarHBondContact CA-O 3.21Å; E283-V383 HydrophobicContact CB-CG2 4.17Å; E283-V383 HydrophobicContact CG-CG2 3.85Å; E283-V383 WeakPolarHBondContact OE2-CG2 3.34Å
284D95.5Very high93.8Very high85 Ų8549 Ų4946%0.45526%0.255SS..EExtended strand (participates in β ladder)trans-136.4154.1-177.6-161.15.6000111.1V381 F382 I389D284-V381 CarbonylContact O-C 3.58Å; D284-V381 WeakPolarHBondContact O-CA 3.5Å; D284-F382 PolarHBondContact N-O 2.95Å; D284-F382 PolarHBondContact O-N 2.78Å; D284-I389 HydrophobicContact CB-CD1 4.4Å; D284-I389 HydrophobicContact CB-CG2 3.69Å
285V94.1Very high93.6Very high67 Ų6746.8 Ų46.841%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-122.1110.6-166.9-173.70000111.2P379 V381V285-P379 HydrophobicContact CG1-CB 3.36Å; V285-V381 HydrophobicContact CG1-CG2 4.28Å; V285-V381 HydrophobicContact CG2-CG1 4.28Å; V285-V381 HydrophobicContact CG2-CG2 4.1Å
286I93.3Very high93.5Very high17 Ų1746.8 Ų46.89%0.08725%0.245CC..EExtended strand (participates in β ladder)trans-98.2123.8177.9-48.8179000109.3V288 F380 F382 T393 L396I286-V288 PolarHBondContact O-N 3.27Å; I286-F380 PolarHBondContact N-O 2.68Å; I286-F380 PolarHBondContact O-N 3.38Å; I286-F382 HydrophobicContact CB-CE2 4.46Å; I286-F382 HydrophobicContact CD1-CD2 3.65Å; I286-F382 HydrophobicContact CD1-CE2 3.67Å; I286-F382 HydrophobicContact CG1-CD2 4.01Å; I286-F382 HydrophobicContact CG1-CE2 4.23Å; I286-T393 HydrophobicContact CD1-CG2 4.12Å; I286-T393 VanDerWaalsContact CD1-OG1 3.26Å; I286-T393 WeakPolarHBondContact CD1-OG1 3.41Å; I286-L396 HydrophobicContact CB-CD2 4.04Å; I286-L396 HydrophobicContact CD1-CD2 4Å; I286-L396 HydrophobicContact CG2-CD2 3.72Å
287Q92.2Very high93.3Very high95 Ų9546.3 Ų46.344%0.44425%0.246SC..EExtended strand (participates in β ladder)trans-84.7114.2-177.3-67.9-66.7-11.300111.2M377Q287-M377 HydrophobicContact CB-CB 4.23Å; Q287-M377 HydrophobicContact CB-CG 4.4Å
288V93Very high93.2Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-106.2126.7-178.3176.60000110.8I286 R290 V293 V296 M377 V378 F380 L396 L400I286-V288 PolarHBondContact O-N 3.27Å; V288-R290 PolarHBondContact O-N 2.94Å; V288-V293 HydrophobicContact CB-CG2 4.26Å; V288-V293 HydrophobicContact CG1-CG2 3.7Å; V288-V296 HydrophobicContact CG1-CG2 4.17Å; V288-M377 CarbonylContact O-C 3.58Å; V288-V378 PolarHBondContact N-O 3.27Å; V288-V378 PolarHBondContact O-N 2.96Å; V288-F380 HydrophobicContact CB-CD1 3.73Å; V288-F380 HydrophobicContact CB-CE1 3.69Å; V288-F380 HydrophobicContact CB-CG 4.45Å; V288-F380 HydrophobicContact CB-CZ 4.36Å; V288-F380 HydrophobicContact CG1-CE1 4.01Å; V288-F380 HydrophobicContact CG1-CZ 4.29Å; V288-F380 HydrophobicContact CG2-CB 4.22Å; V288-F380 HydrophobicContact CG2-CD1 3.47Å; V288-F380 VanDerWaalsContact CG2-CD1 3.47Å; V288-F380 HydrophobicContact CG2-CD2 4.14Å; V288-F380 HydrophobicContact CG2-CE1 3.77Å; V288-F380 HydrophobicContact CG2-CE2 4.39Å; V288-F380 HydrophobicContact CG2-CG 3.68Å; V288-F380 HydrophobicContact CG2-CZ 4.21Å; V288-L396 HydrophobicContact CG2-CD1 4.45Å; V288-L396 HydrophobicContact CG2-CD2 4.03Å; V288-L400 HydrophobicContact CG1-CD2 4.12Å
289P92.1Very high93Very high27 Ų2751.3 Ų51.318%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-56.9129175.8-2735.3000112.8N291 L292 V293 M377P289-N291 WeakPolarHBondContact CB-OD1 3.21Å; P289-N291 PolarHBondContact O-N 3.1Å; P289-N291 VanDerWaalsContact O-N 3.08Å; P289-L292 HydrophobicContact CB-CD1 4.38Å; P289-L292 HydrophobicContact CB-CG 4.36Å; P289-L292 HydrophobicContact CG-CD1 4.36Å; P289-L292 WeakPolarHBondContact O-CA 3.41Å; P289-L292 PolarHBondContact O-N 3.2Å; P289-V293 PolarHBondContact O-N 3.01Å; P289-V293 VanDerWaalsContact O-N 3.11Å; P289-M377 HydrophobicContact CB-SD 4.24Å; P289-M377 HydrophobicContact CG-CE 4.34Å; P289-M377 HydrophobicContact CG-SD 3.86Å
290R89.6Confident92.7Very high149 Ų14959 Ų5956%0.56231%0.31SS*.THydrogen-bonded Turntrans-56.2-29.3-173.3-169171179.7176.5-1.5113.4V288 L292 G376 V378V288-R290 PolarHBondContact O-N 2.94Å; R290-L292 VanDerWaalsContact C-N 3.35Å; R290-G376 VanDerWaalsContact CB-O 3.27Å; R290-G376 WeakPolarHBondContact CB-O 3.32Å; R290-G376 PolarHBondContact N-O 2.94Å; R290-V378 HydrophobicContact CB-CG2 3.95Å; R290-V378 HydrophobicContact CG-CG2 4Å
291N89Confident92.4Very high118 Ų11859 Ų5963%0.63132%0.316SS*.THydrogen-bonded Turntrans-73.4-20.7174.165.1-42.2000114.2P289P289-N291 WeakPolarHBondContact CB-OD1 3.21Å; P289-N291 PolarHBondContact O-N 3.1Å; P289-N291 VanDerWaalsContact O-N 3.08Å
292L91.1Very high92.3Very high5 Ų565.4 Ų65.43%0.02634%0.343CS..THydrogen-bonded Turntrans-101.3-21.1178.8-60.8-177.1000113.2P289 R290 G294 K295 V296 L400 L403 K404P289-L292 HydrophobicContact CB-CD1 4.38Å; P289-L292 HydrophobicContact CB-CG 4.36Å; P289-L292 HydrophobicContact CG-CD1 4.36Å; P289-L292 WeakPolarHBondContact O-CA 3.41Å; P289-L292 PolarHBondContact O-N 3.2Å; R290-L292 VanDerWaalsContact C-N 3.35Å; L292-G294 VanDerWaalsContact C-N 3.32Å; L292-G294 PolarHBondContact O-N 3.19Å; L292-K295 HydrophobicContact CD2-CD 4.19Å; L292-K295 WeakPolarHBondContact O-CA 3.44Å; L292-K295 WeakPolarHBondContact O-CB 3.45Å; L292-K295 PolarHBondContact O-N 3.35Å; L292-V296 HydrophobicContact CB-CG2 4.44Å; L292-V296 WeakPolarHBondContact O-CG2 3.34Å; L292-V296 PolarHBondContact O-N 2.9Å; L292-L400 HydrophobicContact CB-CD2 4.2Å; L292-L400 HydrophobicContact CD1-CD2 3.94Å; L292-L403 HydrophobicContact CB-CD1 4.49Å; L292-L403 HydrophobicContact CD2-CB 4.24Å; L292-K404 HydrophobicContact CD1-CG 4.19Å
293V91.4Very high92.2Very high20 Ų2066.4 Ų66.412%0.12135%0.346CS..Hα-helixtrans-44.1-51.9180171.90000112.9V288 P289 K295 V296 I297 V378 F380V288-V293 HydrophobicContact CB-CG2 4.26Å; V288-V293 HydrophobicContact CG1-CG2 3.7Å; P289-V293 PolarHBondContact O-N 3.01Å; P289-V293 VanDerWaalsContact O-N 3.11Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 3.23Å; V293-V296 PolarHBondContact O-N 2.84Å; V293-I297 HydrophobicContact CG1-CD1 3.59Å; V293-I297 HydrophobicContact CG1-CG1 4.33Å; V293-I297 WeakPolarHBondContact O-CB 3.46Å; V293-I297 VanDerWaalsContact O-CG1 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.43Å; V293-I297 PolarHBondContact O-N 2.81Å; V293-V378 HydrophobicContact CG2-CB 3.76Å; V293-V378 HydrophobicContact CG2-CG1 4.23Å; V293-V378 HydrophobicContact CG2-CG2 3.85Å; V293-F380 HydrophobicContact CG1-CE1 4.13Å; V293-F380 HydrophobicContact CG1-CZ 4.11Å; V293-F380 HydrophobicContact CG2-CE1 4.04Å
294G90.9Very high92.1Very high57 Ų5764.5 Ų64.559%0.58834%0.337SS*.Hα-helixtrans-64.9-25.9-179.700000114.5L292 G298L292-G294 VanDerWaalsContact C-N 3.32Å; L292-G294 PolarHBondContact O-N 3.19Å; G294-G298 PolarHBondContact O-N 3.14Å
295K91Very high92.1Very high76 Ų7665 Ų6533%0.3334%0.337SS..Hα-helixtrans-79-43.3175.3-58.4-178.9-171.3176.20110.9L292 V293 G298 L403 D407L292-K295 HydrophobicContact CD2-CD 4.19Å; L292-K295 WeakPolarHBondContact O-CA 3.44Å; L292-K295 WeakPolarHBondContact O-CB 3.45Å; L292-K295 PolarHBondContact O-N 3.35Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 3.23Å; K295-G298 WeakPolarHBondContact O-CA 3.48Å; K295-G298 PolarHBondContact O-N 3.38Å; K295-G298 VanDerWaalsContact O-N 3.13Å; K295-L403 HydrophobicContact CB-CD1 3.6Å; K295-L403 HydrophobicContact CB-CD2 3.92Å; K295-L403 HydrophobicContact CB-CG 4.42Å; K295-L403 HydrophobicContact CD-CD1 4.47Å; K295-L403 HydrophobicContact CD-CD2 4.05Å; K295-D407 IonicContact NZ-OD1 3.27Å; K295-D407 PolarHBondContact NZ-OD1 2.81Å; K295-D407 IonicContact NZ-OD2 2.6Å; K295-D407 PolarHBondContact NZ-OD2 3.42Å
296V93.4Very high92.2Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-63.3-44177.3172.20000112.3V288 L292 V293 G298 L303 I304 F380 L396 L400 L403V288-V296 HydrophobicContact CG1-CG2 4.17Å; L292-V296 HydrophobicContact CB-CG2 4.44Å; L292-V296 WeakPolarHBondContact O-CG2 3.34Å; L292-V296 PolarHBondContact O-N 2.9Å; V293-V296 PolarHBondContact O-N 2.84Å; V296-G298 PolarHBondContact O-N 2.79Å; V296-L303 WeakPolarHBondContact O-CD2 2.98Å; V296-I304 PolarHBondContact O-N 3.16Å; V296-F380 HydrophobicContact CG1-CE2 3.75Å; V296-F380 HydrophobicContact CG1-CZ 4.14Å; V296-L396 HydrophobicContact CG1-CD1 3.42Å; V296-L396 VanDerWaalsContact CG1-CD1 3.42Å; V296-L396 HydrophobicContact CG2-CD1 4.38Å; V296-L400 HydrophobicContact CG2-CD2 3.56Å; V296-L400 HydrophobicContact CG2-CG 4.37Å; V296-L403 HydrophobicContact CG2-CD1 3.82Å
297I92.6Very high92.3Very high46 Ų4665.6 Ų65.624%0.23634%0.335CS..Hα-helixtrans-60.9-40.4172.6-67.2170.3000109.8V293 G301 L303 I304 I318 F380V293-I297 HydrophobicContact CG1-CD1 3.59Å; V293-I297 HydrophobicContact CG1-CG1 4.33Å; V293-I297 WeakPolarHBondContact O-CB 3.46Å; V293-I297 VanDerWaalsContact O-CG1 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.43Å; V293-I297 PolarHBondContact O-N 2.81Å; I297-G301 CarbonylContact O-C 3.55Å; I297-G301 WeakPolarHBondContact O-CA 3.46Å; I297-L303 PolarHBondContact O-N 3.02Å; I297-I304 HydrophobicContact CB-CG2 4.4Å; I297-I304 HydrophobicContact CG2-CG2 4.21Å; I297-I304 PolarHBondContact O-N 2.77Å; I297-I318 HydrophobicContact CD1-CD1 3.66Å; I297-I318 HydrophobicContact CG1-CD1 3.61Å; I297-F380 HydrophobicContact CG1-CE2 4.45Å; I297-F380 HydrophobicContact CG1-CZ 4.11Å
298G91.9Very high92.4Very high21 Ų2161.6 Ų61.622%0.21632%0.317CS..  trans71.2179.1-177.200000112.9G294 K295 V296 N300 G301G294-G298 PolarHBondContact O-N 3.14Å; K295-G298 WeakPolarHBondContact O-CA 3.48Å; K295-G298 PolarHBondContact O-N 3.38Å; K295-G298 VanDerWaalsContact O-N 3.13Å; V296-G298 PolarHBondContact O-N 2.79Å; G298-N300 PolarHBondContact O-N 3.23Å; G298-N300 VanDerWaalsContact O-N 3.13Å; G298-G301 PolarHBondContact O-N 3.25Å
299K91.2Very high92.5Very high186 Ų18666.9 Ų66.981%0.80935%0.345SS*.G310 helixtrans-61.8118.6-178.3-63.4-178.5-177.5178.60110G301 K302K299-G301 PolarHBondContact O-N 2.93Å; K299-K302 WeakPolarHBondContact O-CB 3.39Å; K299-K302 WeakPolarHBondContact O-CG 3.2Å; K299-K302 PolarHBondContact O-N 3.08Å
300N89Confident92.7Very high160 Ų16071.9 Ų71.986%0.85636%0.364SS*.G310 helixtrans5630.8-178.1-52.90.4000114.2G298 K302G298-N300 PolarHBondContact O-N 3.23Å; G298-N300 VanDerWaalsContact O-N 3.13Å; N300-K302 PolarHBondContact O-N 3.47Å
301G91.8Very high93Very high19 Ų1965 Ų6520%0.19634%0.339CS..G310 helixtrans75.53.7179.800000115.4I297 G298 K299 L303 I304 Q305I297-G301 CarbonylContact O-C 3.55Å; I297-G301 WeakPolarHBondContact O-CA 3.46Å; G298-G301 PolarHBondContact O-N 3.25Å; K299-G301 PolarHBondContact O-N 2.93Å; G301-L303 VanDerWaalsContact C-N 3.28Å; G301-L303 PolarHBondContact O-N 2.82Å; G301-I304 VanDerWaalsContact O-CG2 3.24Å; G301-I304 WeakPolarHBondContact O-CG2 3.41Å; G301-I304 PolarHBondContact O-N 3.23Å; G301-Q305 WeakPolarHBondContact O-CB 3.37Å; G301-Q305 PolarHBondContact O-N 3.08Å
302K93.7Very high93.2Very high153 Ų15361.7 Ų61.767%0.66533%0.332SS*.Hα-helixtrans-59.1-35.7-174.1-73.5-175.6175.7-166.20114.1K299 N300 E306K299-K302 WeakPolarHBondContact O-CB 3.39Å; K299-K302 WeakPolarHBondContact O-CG 3.2Å; K299-K302 PolarHBondContact O-N 3.08Å; N300-K302 PolarHBondContact O-N 3.47Å; K302-E306 WeakPolarHBondContact O-CB 3.45Å; K302-E306 PolarHBondContact O-N 3.01Å
303L93.6Very high93.4Very high41 Ų4161.8 Ų61.822%0.21533%0.333CS..Hα-helixtrans-78.5-43-175.2-179.866000111.5V296 I297 G301 Q305 E306 I307 H399V296-L303 WeakPolarHBondContact O-CD2 2.98Å; I297-L303 PolarHBondContact O-N 3.02Å; G301-L303 VanDerWaalsContact C-N 3.28Å; G301-L303 PolarHBondContact O-N 2.82Å; L303-Q305 VanDerWaalsContact C-N 3.26Å; L303-Q305 PolarHBondContact O-N 3.09Å; L303-E306 WeakPolarHBondContact O-CB 3.47Å; L303-E306 PolarHBondContact O-N 2.63Å; L303-E306 VanDerWaalsContact O-N 3.13Å; L303-I307 PolarHBondContact O-N 2.96Å; L303-H399 VanDerWaalsContact CD2-CE1 3.43Å; L303-H399 WeakPolarHBondContact CD2-CE1 3.46Å; L303-H399 VanDerWaalsContact CD2-NE2 3.27Å; L303-H399 WeakPolarHBondContact CD2-NE2 3.47Å
304I94.8Very high93.5Very high12 Ų1264.4 Ų64.46%0.06235%0.349CS..Hα-helixtrans-65.9-33.4174.3-173.162.8000111.2V296 I297 G301 I307 V308 V316 F380 F382V296-I304 PolarHBondContact O-N 3.16Å; I297-I304 HydrophobicContact CB-CG2 4.4Å; I297-I304 HydrophobicContact CG2-CG2 4.21Å; I297-I304 PolarHBondContact O-N 2.77Å; G301-I304 VanDerWaalsContact O-CG2 3.24Å; G301-I304 WeakPolarHBondContact O-CG2 3.41Å; G301-I304 PolarHBondContact O-N 3.23Å; I304-I307 HydrophobicContact CD1-CB 4.41Å; I304-I307 HydrophobicContact CD1-CD1 4.29Å; I304-I307 PolarHBondContact O-N 2.8Å; I304-V308 WeakPolarHBondContact O-CG2 3.39Å; I304-V308 PolarHBondContact O-N 2.82Å; I304-V316 HydrophobicContact CD1-CG1 4.35Å; I304-V316 HydrophobicContact CG1-CG1 3.79Å; I304-F380 HydrophobicContact CD1-CD2 3.99Å; I304-F380 HydrophobicContact CD1-CE2 3.97Å; I304-F380 HydrophobicContact CG1-CE2 4.32Å; I304-F382 HydrophobicContact CD1-CE1 4.39Å; I304-F382 HydrophobicContact CD1-CZ 3.97Å
305Q94.9Very high93.7Very high97 Ų9766 Ų6645%0.45334%0.338SS..Hα-helixtrans-63.3-41.9169.7-169.26352.600111.8G301 L303 I307 V308 D309G301-Q305 WeakPolarHBondContact O-CB 3.37Å; G301-Q305 PolarHBondContact O-N 3.08Å; L303-Q305 VanDerWaalsContact C-N 3.26Å; L303-Q305 PolarHBondContact O-N 3.09Å; Q305-I307 VanDerWaalsContact C-N 3.28Å; Q305-I307 PolarHBondContact O-N 2.89Å; Q305-V308 WeakPolarHBondContact O-CB 3.39Å; Q305-V308 PolarHBondContact O-N 2.98Å; Q305-V308 VanDerWaalsContact O-N 3.11Å; Q305-D309 PolarHBondContact NE2-OD1 3.01Å; Q305-D309 WeakPolarHBondContact O-CB 3.37Å; Q305-D309 PolarHBondContact O-N 2.77Å
306E95Very high93.9Very high87 Ų8764.2 Ų64.241%0.40733%0.333SS..Hα-helixtrans-61.7-34.6175.1-173.1-178.6168.200112.6K302 L303 K310K302-E306 WeakPolarHBondContact O-CB 3.45Å; K302-E306 PolarHBondContact O-N 3.01Å; L303-E306 WeakPolarHBondContact O-CB 3.47Å; L303-E306 PolarHBondContact O-N 2.63Å; L303-E306 VanDerWaalsContact O-N 3.13Å; E306-K310 HydrophobicContact CG-CD 4.14Å; E306-K310 VanDerWaalsContact O-CB 3.3Å; E306-K310 WeakPolarHBondContact O-CB 3.42Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.26Å; E306-K310 PolarHBondContact O-N 2.83Å; E306-K310 VanDerWaalsContact O-N 3.07Å; E306-K310 VanDerWaalsContact OE1-CE 3.28Å; E306-K310 WeakPolarHBondContact OE1-CE 3.4Å; E306-K310 IonicContact OE1-NZ 2.71Å; E306-K310 PolarHBondContact OE1-NZ 2.81Å
307I95.3Very high93.9Very high9 Ų968.8 Ų68.85%0.04635%0.35CS..Hα-helixtrans-66.3-44.8171.8-66.7170000110.6L303 I304 Q305 S311 F382 A392 L395 L396L303-I307 PolarHBondContact O-N 2.96Å; I304-I307 HydrophobicContact CD1-CB 4.41Å; I304-I307 HydrophobicContact CD1-CD1 4.29Å; I304-I307 PolarHBondContact O-N 2.8Å; Q305-I307 VanDerWaalsContact C-N 3.28Å; Q305-I307 PolarHBondContact O-N 2.89Å; I307-S311 VanDerWaalsContact O-CB 3.26Å; I307-S311 WeakPolarHBondContact O-CB 3.25Å; I307-S311 PolarHBondContact O-N 3.49Å; I307-S311 PolarHBondContact O-OG 3.34Å; I307-F382 HydrophobicContact CG2-CE1 4.49Å; I307-A392 HydrophobicContact CG2-CB 4.47Å; I307-L395 HydrophobicContact CG1-CB 4.42Å; I307-L395 HydrophobicContact CG2-CB 4.06Å; I307-L395 HydrophobicContact CG2-CD1 4.47Å; I307-L396 HydrophobicContact CD1-CD1 4.35Å
308V95.7Very high93.9Very high10 Ų1069.5 Ų69.56%0.06135%0.354CS..Hα-helixtrans-59.9-51.2176.71680000110.9I304 Q305 K310 S311 G312 V313 V316 F382I304-V308 WeakPolarHBondContact O-CG2 3.39Å; I304-V308 PolarHBondContact O-N 2.82Å; Q305-V308 WeakPolarHBondContact O-CB 3.39Å; Q305-V308 PolarHBondContact O-N 2.98Å; Q305-V308 VanDerWaalsContact O-N 3.11Å; V308-K310 VanDerWaalsContact C-N 3.34Å; V308-K310 PolarHBondContact O-N 3.07Å; V308-S311 PolarHBondContact O-N 3.34Å; V308-S311 PolarHBondContact O-OG 2.84Å; V308-S311 VanDerWaalsContact O-OG 3.07Å; V308-G312 PolarHBondContact O-N 2.89Å; V308-V313 HydrophobicContact CB-CG2 4.01Å; V308-V313 HydrophobicContact CG1-CG2 3.87Å; V308-V313 HydrophobicContact CG2-CG2 3.86Å; V308-V316 HydrophobicContact CG2-CB 4.17Å; V308-V316 HydrophobicContact CG2-CG1 3.76Å; V308-F382 HydrophobicContact CG2-CE1 4.41Å
309D94.6Very high93.8Very high111 Ų11173.3 Ų73.359%0.59437%0.366SS*.Hα-helixtrans-62.5-37.9-177.9-63.8-13.9000112.4Q305Q305-D309 PolarHBondContact NE2-OD1 3.01Å; Q305-D309 WeakPolarHBondContact O-CB 3.37Å; Q305-D309 PolarHBondContact O-N 2.77Å
310K95.4Very high92.9Very high133 Ų13368.3 Ų68.358%0.57836%0.359SS*.Hα-helixtrans-79-29.5178.9-74.4178.5-177.5174.20114.3E306 V308 L395E306-K310 HydrophobicContact CG-CD 4.14Å; E306-K310 VanDerWaalsContact O-CB 3.3Å; E306-K310 WeakPolarHBondContact O-CB 3.42Å; E306-K310 VanDerWaalsContact O-CG 3.26Å; E306-K310 WeakPolarHBondContact O-CG 3.26Å; E306-K310 PolarHBondContact O-N 2.83Å; E306-K310 VanDerWaalsContact O-N 3.07Å; E306-K310 VanDerWaalsContact OE1-CE 3.28Å; E306-K310 WeakPolarHBondContact OE1-CE 3.4Å; E306-K310 IonicContact OE1-NZ 2.71Å; E306-K310 PolarHBondContact OE1-NZ 2.81Å; V308-K310 VanDerWaalsContact C-N 3.34Å; V308-K310 PolarHBondContact O-N 3.07Å; K310-L395 HydrophobicContact CB-CD1 3.66Å
311S95.8Very high91.6Very high4 Ų465.9 Ų65.93%0.02834%0.343CS..Hα-helixtrans-84.5-24.8179.356.20000113.2I307 V308 V313 S388I307-S311 VanDerWaalsContact O-CB 3.26Å; I307-S311 WeakPolarHBondContact O-CB 3.25Å; I307-S311 PolarHBondContact O-N 3.49Å; I307-S311 PolarHBondContact O-OG 3.34Å; V308-S311 PolarHBondContact O-N 3.34Å; V308-S311 PolarHBondContact O-OG 2.84Å; V308-S311 VanDerWaalsContact O-OG 3.07Å; S311-V313 VanDerWaalsContact C-N 3.29Å; S311-V313 WeakPolarHBondContact OG-CG2 3.42Å; S311-S388 WeakPolarHBondContact CB-O 3.23Å; S311-S388 WeakPolarHBondContact O-CA 3.3Å; S311-S388 VanDerWaalsContact O-CB 3.24Å; S311-S388 WeakPolarHBondContact O-CB 3.27Å; S311-S388 PolarHBondContact O-OG 2.86Å
312G94Very high89.4Confident48 Ų4872.2 Ų72.250%0.49537%0.372SS..THydrogen-bonded Turntrans77.710.7-175.900000114V308 S388V308-G312 PolarHBondContact O-N 2.89Å; G312-S388 PolarHBondContact O-OG 2.92Å
313V95.5Very high87.3Confident7 Ų772.7 Ų72.74%0.04238%0.377CS..  trans-62.1146.5169.9-62.90000110.1V308 S311 F382 S388 I389 A392V308-V313 HydrophobicContact CB-CG2 4.01Å; V308-V313 HydrophobicContact CG1-CG2 3.87Å; V308-V313 HydrophobicContact CG2-CG2 3.86Å; S311-V313 VanDerWaalsContact C-N 3.29Å; S311-V313 WeakPolarHBondContact OG-CG2 3.42Å; V313-F382 HydrophobicContact CB-CD1 4.44Å; V313-F382 HydrophobicContact CG1-CD1 4.34Å; V313-F382 HydrophobicContact CG2-CD1 3.88Å; V313-F382 HydrophobicContact CG2-CE1 4.38Å; V313-S388 VanDerWaalsContact CG1-C 3.45Å; V313-S388 VanDerWaalsContact CG1-O 3.26Å; V313-S388 WeakPolarHBondContact CG1-O 3.49Å; V313-I389 HydrophobicContact CG1-CG1 4.16Å; V313-A392 HydrophobicContact CG1-CB 3.84Å
314V94.6Very high85Confident76 Ų7679.7 Ų79.746%0.46141%0.405SS..SBendtrans-69.8-38.9-177.3178.90000111L232 F281 V383L232-V314 HydrophobicContact CD1-CG2 4.49Å; L232-V314 HydrophobicContact CD2-CG1 4.47Å; F281-V314 HydrophobicContact CE1-CG2 3.94Å; V314-V383 WeakPolarHBondContact CB-O 3.36Å; V314-V383 PolarHBondContact N-O 3.39Å
315R94Very high82.4Confident91 Ų9186.6 Ų86.634%0.34344%0.442SS..EExtended strand (participates in β ladder)trans-165.5162-179.657.6-171.7-177.2845.1111.8E283 R317 V383E283-R315 IonicContact OE2-NH2 3.92Å; R315-R317 VanDerWaalsContact NH1-CD 3.32Å; R315-V383 HydrophobicContact CG-CB 3.94Å; R315-V383 HydrophobicContact CG-CG2 4.32Å; R315-V383 PolarHBondContact N-O 2.99Å; R315-V383 PolarHBondContact O-N 2.75Å
316V95.8Very high79.6Confident37 Ų3788 Ų8822%0.22446%0.458CS..EExtended strand (participates in β ladder)trans-122.2140.2165.364.70000109.7I304 V308 F380 V381 F382I304-V316 HydrophobicContact CD1-CG1 4.35Å; I304-V316 HydrophobicContact CG1-CG1 3.79Å; V308-V316 HydrophobicContact CG2-CB 4.17Å; V308-V316 HydrophobicContact CG2-CG1 3.76Å; V316-F380 HydrophobicContact CG2-CB 4.31Å; V316-F380 HydrophobicContact CG2-CD2 4.29Å; V316-V381 CarbonylContact C-O 3.58Å; V316-V381 WeakPolarHBondContact CA-O 3.46Å; V316-F382 HydrophobicContact CB-CD1 3.79Å; V316-F382 HydrophobicContact CB-CE1 3.71Å; V316-F382 HydrophobicContact CB-CG 4.41Å; V316-F382 HydrophobicContact CB-CZ 4.26Å; V316-F382 HydrophobicContact CG2-CD1 3.83Å; V316-F382 HydrophobicContact CG2-CD2 4.08Å; V316-F382 HydrophobicContact CG2-CE1 3.64Å; V316-F382 HydrophobicContact CG2-CE2 3.87Å; V316-F382 HydrophobicContact CG2-CG 4.08Å; V316-F382 HydrophobicContact CG2-CZ 3.67Å
317R93.8Very high76.8Confident96 Ų9689.1 Ų89.136%0.36247%0.472SS..EExtended strand (participates in β ladder)trans-109.9146.3164.8-60.9-177.3-89.7-159.2-6.1108.7E283 R315 F380 V381E283-R317 IonicContact OE1-CZ 2.84Å; E283-R317 IonicContact OE1-NH2 3.09Å; E283-R317 PolarHBondContact OE1-NH2 3.29Å; E283-R317 IonicContact OE2-CZ 3.96Å; E283-R317 IonicContact OE2-NH2 2.58Å; E283-R317 PolarHBondContact OE2-NH2 2.64Å; R315-R317 VanDerWaalsContact NH1-CD 3.32Å; R317-F380 CarbonylContact O-C 3.56Å; R317-F380 WeakPolarHBondContact O-CA 3.22Å; R317-V381 HydrophobicContact CB-CB 4.21Å; R317-V381 PolarHBondContact N-O 2.91Å; R317-V381 PolarHBondContact O-N 2.84Å
318I92.7Very high74Confident62 Ų6297.7 Ų97.732%0.31851%0.512SS..EExtended strand (participates in β ladder)trans-119.9111.1174.5-57.4172.7000106.2I297 A320 V378 F380I297-I318 HydrophobicContact CD1-CD1 3.66Å; I297-I318 HydrophobicContact CG1-CD1 3.61Å; I318-A320 PolarHBondContact O-N 2.91Å; I318-V378 HydrophobicContact CG2-CG1 3.84Å; I318-F380 HydrophobicContact CB-CE1 4.43Å; I318-F380 HydrophobicContact CD1-CD2 4.16Å; I318-F380 HydrophobicContact CD1-CE1 4.15Å; I318-F380 HydrophobicContact CD1-CE2 3.58Å; I318-F380 HydrophobicContact CD1-CZ 3.58Å; I318-F380 HydrophobicContact CG1-CD1 4.15Å; I318-F380 HydrophobicContact CG1-CD2 3.96Å; I318-F380 HydrophobicContact CG1-CE1 4.04Å; I318-F380 HydrophobicContact CG1-CE2 3.87Å; I318-F380 HydrophobicContact CG1-CG 4.1Å; I318-F380 HydrophobicContact CG1-CZ 3.92Å; I318-F380 HydrophobicContact CG2-CD1 4Å; I318-F380 HydrophobicContact CG2-CE1 3.62Å; I318-F380 HydrophobicContact CG2-CZ 4.12Å
319E88.5Confident71.3Confident101 Ų101106.1 Ų106.147%0.47255%0.551SS.*  trans-93.998.4-177.4-35.5-171.613600108.5P379 V381E319-P379 HydrophobicContact CB-CG 3.85Å; E319-P379 HydrophobicContact CG-CG 4.26Å; E319-P379 PolarHBondContact N-O 3.13Å; E319-P379 VanDerWaalsContact N-O 3.13Å; E319-P379 WeakPolarHBondContact O-CD 3.38Å; E319-V381 HydrophobicContact CG-CG2 3.9Å
320A72.1Confident68.4Low80 Ų80109.2 Ų109.266%0.66156%0.562SS**  trans-75.4123.3167.800000108.6I318 N322I318-A320 PolarHBondContact O-N 2.91Å; A320-N322 PolarHBondContact O-N 3.27Å; A320-N322 VanDerWaalsContact O-N 3.09Å
321E62.5Low65.5Low110 Ų110111.7 Ų111.751%0.51458%0.575SS.*  trans-56.4116.1173.1-69.4-173.3128.400110.4V373E321-V373 WeakPolarHBondContact OE1-CG1 3.48Å
322N46Very low62.5Low152 Ų152118.7 Ų118.781%0.81361%0.611SS**  trans-78.6114.5161.1-95.6-30000107.7A320 K324A320-N322 PolarHBondContact O-N 3.27Å; A320-N322 VanDerWaalsContact O-N 3.09Å; N322-K324 PolarHBondContact O-N 2.85Å
323E49.6Very low59.7Low163 Ų163123.7 Ų123.776%0.76262%0.623SS**THydrogen-bonded Turntrans-66.123.5-179.3-62.6175.5171.300114.5
324K45.5Very low57Low187 Ų187128.7 Ų128.781%0.81366%0.656SS**THydrogen-bonded Turntrans-111.52.2-169.7-79.5-163.7173-1730116.6N322N322-K324 PolarHBondContact O-N 2.85Å
325N39.1Very low54.5Low158 Ų158131.3 Ų131.385%0.84567%0.674SS**  trans-137.883170.7-89.4-25.1000111.1
326V35.7Very low51.6Low127 Ų127134.6 Ų134.677%0.7770%0.699SS**  trans-120.8109.9153.9-176.50000105.8Q328V326-Q328 PolarHBondContact O-N 3.17Å
327P37.8Very low48.5Very low109 Ų109138.3 Ų138.371%0.70873%0.726SS**  trans-60.2126.5165.4-16.630.6000107.7E329P327-E329 PolarHBondContact O-N 3.43Å; P327-E329 VanDerWaalsContact O-N 3.09Å
328Q36Very low45.5Very low190 Ų190141.6 Ų141.689%0.88875%0.75SS**  trans-68.6105.3166.6-72.7178.7-5100107.2V326 E330V326-Q328 PolarHBondContact O-N 3.17Å; Q328-E330 PolarHBondContact O-N 2.87Å
329E38.1Very low43.4Very low187 Ų187143.5 Ų143.587%0.87477%0.767SS**  trans-67122.3163.2-72.5-173.6143.800108P327P327-E329 PolarHBondContact O-N 3.43Å; P327-E329 VanDerWaalsContact O-N 3.09Å
330E33.9Very low40.6Very low176 Ų176143.7 Ų143.782%0.82278%0.779SS**  trans-67132.2-178.6-68.2-175.7141.100111Q328 I332Q328-E330 PolarHBondContact O-N 2.87Å; E330-I332 PolarHBondContact O-N 3.13Å
331E34.8Very low38.5Very low184 Ų184148 Ų14886%0.8679%0.791SS**  trans-74.586.4-179.4-172.5174-151.200110.8M333E331-M333 PolarHBondContact O-N 2.97Å
332I33.1Very low37Very low151 Ų151150.2 Ų150.277%0.77481%0.806SS**  trans-83.196.3174.3-57178.5000109.8E330E330-I332 PolarHBondContact O-N 3.13Å
333M34.2Very low36.4Very low153 Ų153148.5 Ų148.575%0.75481%0.806SS**PPolyproline II helixtrans-67.7144.9166.8-61.4179.770.500112.2E331E331-M333 PolarHBondContact O-N 2.97Å
334P38.4Very low35.5Very low113 Ų113152.2 Ų152.273%0.73481%0.813SS**PPolyproline II helixtrans-99.3151.9149.334.3-28.5000111.7
335P42.9Very low34.9Very low131 Ų131149.5 Ų149.585%0.85181%0.812SS**PPolyproline II helixtrans-87.2165.3-168.434.1-36.9000116.2
336N34Very low34.2Very low160 Ų160144.9 Ų144.986%0.85680%0.802SS**PPolyproline II helixtrans-54.9144.9177.4-73.6-41.3000115.9
337S30.8Very low35Very low114 Ų114144.3 Ų144.380%0.79780%0.801SS**  177.1116.8105.760.20000116.1
338L30.9Very low34.6Very low165 Ų165146.9 Ų146.986%0.86481%0.808SS**  trans-13171.1150-62.2165.8000120.9
339P47.8Very low34.2Very low103 Ų103142.1 Ų142.167%0.66980%0.802SS**  cis-146.2176.2-42.642.8-25.5000116.2
340S29.8Very low34.5Very low104 Ų104138.6 Ų138.673%0.72780%0.795SS**  trans47.2127.6146.2-59.20000123.8
341N27.6Very low34.3Very low171 Ų171138.5 Ų138.591%0.91479%0.794SS**  -169.5154.3114.8-105.5-29.2000116.7
342N31.3Very low34Very low157 Ų157136.5 Ų136.584%0.8479%0.785SS**  trans-83.5146.2172-90.4-35000112.3
343S32.3Very low33.9Very low116 Ų116136.6 Ų136.681%0.81178%0.78SS**  -179.7105.6126.8570000115.7
344R31.2Very low33.7Very low240 Ų240137.1 Ų137.191%0.90678%0.778SS**  19.7138.6128.1-155.2-173-176.3165.80.4121
345V32.2Very low33.1Very low131 Ų131140.8 Ų140.879%0.79479%0.785SS**  trans133123.2139.1175.10000113.2
346G26.4Very low32.6Very low61 Ų61140 Ų14063%0.62977%0.773SS**  trans-103.8-144.8166.600000111
347P52.2Low32.3Very low115 Ų115139 Ų13975%0.74777%0.768SS**  cis-131.9177.5-642.1-26.6000113.8
348N28.9Very low32.3Very low162 Ų162141.9 Ų141.987%0.86677%0.773SS**  -176.2146.2127-94.7-14.6000111.9
349A27.3Very low32.3Very low91 Ų91143 Ų14375%0.75277%0.77SS**  trans-126.4-172.7175.900000107.2
350P44.9Very low31.4Very low112 Ų112147.3 Ų147.373%0.72778%0.782SS**  cis-139.9-1516.837.3-12.6000114.3
351E29.3Very low31.3Very low174 Ų174149.8 Ų149.881%0.81379%0.787SS**  trans90.291.2169.8-53.1-167.9172.200115.8
352E28.4Very low31.2Very low143 Ų143146.9 Ų146.967%0.66878%0.78SS**  86.1102.374.3-69.4-108.6134.400111
353K30.2Very low31.1Very low152 Ų152145.9 Ų145.966%0.66178%0.78SS**  69.8136.795.4-73.3176.6-164.7159.10112.8
354K30.3Very low30.8Very low165 Ų165148.8 Ų148.872%0.71778%0.78SS**  cis-162.6152.714.3-112.4157.1177.11780108.3
355H27Very low30.5Very low189 Ų189146.4 Ų146.488%0.87578%0.776SS**  trans-135.9140.7147.3-154-83.8000107.9
356L31.2Very low30.3Very low115 Ų115145.1 Ų145.160%0.60277%0.773SS**  trans-116.6142-175.4-78.8167.3000111.1
357D27.6Very low30.3Very low138 Ų138150 Ų15074%0.73878%0.78SS**  trans37.2126.8144.7-53.1-25.5000121.1
358I31.9Very low29.4Very low176 Ų176150.3 Ų150.390%0.90378%0.782SS**  -152.3149.8108.5-96.7150.5000109.2
359K30.8Very low29.3Very low188 Ų188150 Ų15082%0.81778%0.78SS**  trans-80.4151.4-171.4-58166.3-179.9173.10112.6
360E29.4Very low29.5Very low194 Ų194150.7 Ų150.791%0.90778%0.779SS**  trans-148.7141.8137.8-123.5170-150.500111.5S362E360-S362 PolarHBondContact O-N 2.86Å
361N25.9Very low29.1Very low156 Ų156151.1 Ų151.183%0.83478%0.78SS**  trans-84.4112.3-170.6-77.2-20.3000111.6
362S27.1Very low29.6Very low110 Ų110151.7 Ų151.777%0.76978%0.78SS**  trans-95.2102.7157.646.70000109.6E360 H364E360-S362 PolarHBondContact O-N 2.86Å; S362-H364 PolarHBondContact O-N 3.03Å; S362-H364 VanDerWaalsContact O-N 3.17Å
363T28.2Very low30.3Very low136 Ų136149.1 Ų149.183%0.83477%0.774SS**  trans-65.9115.3172.1420000109.5F365T363-F365 PolarHBondContact O-N 2.71Å
364H25.8Very low31Very low176 Ų176148.4 Ų148.482%0.81577%0.773SS**  trans-50.2125.7173.6-98.7-96.7000111.1S362 S366S362-H364 PolarHBondContact O-N 3.03Å; S362-H364 VanDerWaalsContact O-N 3.17Å; H364-S366 VanDerWaalsContact C-N 3.31Å; H364-S366 PolarHBondContact O-N 2.71Å
365F24.8Very low32.4Very low190 Ų190152.6 Ų152.683%0.83378%0.784SS**  trans-7289.7167.8-168.8-93.1000108.4T363 Q367T363-F365 PolarHBondContact O-N 2.71Å; F365-Q367 PolarHBondContact O-N 3.27Å; F365-Q367 VanDerWaalsContact O-N 3.09Å
366S27.9Very low34.9Very low104 Ų104145.3 Ų145.373%0.72776%0.76SS**  trans-62109.2173.8-57.70000109.3H364H364-S366 VanDerWaalsContact C-N 3.31Å; H364-S366 PolarHBondContact O-N 2.71Å
367Q26.9Very low37.7Very low164 Ų164142.7 Ų142.777%0.76675%0.745SS**PPolyproline II helixtrans-53.7135.9166.5-69.8176.8-27.700108.8F365 N369F365-Q367 PolarHBondContact O-N 3.27Å; F365-Q367 VanDerWaalsContact O-N 3.09Å; Q367-N369 PolarHBondContact O-N 2.69Å
368P33.9Very low40.7Very low121 Ų121136.7 Ų136.779%0.78671%0.714SS**PPolyproline II helixtrans-61.5128.1175.226.2-32.7000108.5S370P368-S370 PolarHBondContact O-N 3.11Å
369N27.3Very low43.7Very low156 Ų156129.3 Ų129.383%0.83468%0.677SS**PPolyproline II helixtrans-54.6133.4-172.1-82.5-46.5000111.7Q367 T371Q367-N369 PolarHBondContact O-N 2.69Å; N369-T371 PolarHBondContact O-N 3Å
370S30.2Very low46.8Very low105 Ų105120.3 Ų120.373%0.73464%0.638SS**  trans-44.4122.1166.6174.90000110.4P368 K372P368-S370 PolarHBondContact O-N 3.11Å; S370-K372 PolarHBondContact O-N 3.4Å
371T38.2Very low50Low122 Ų122111.2 Ų111.275%0.74860%0.596SS**  trans-69.876.9175.448.40000110.3N369 V373N369-T371 PolarHBondContact O-N 3Å; T371-V373 VanDerWaalsContact C-N 3.34Å; T371-V373 PolarHBondContact O-N 3.46Å
372K39Very low53.3Low185 Ų185103.8 Ų103.880%0.80456%0.556SS**  trans-62.1101.4157.4-77.5-173175.7-179.10107.3S370 Q374S370-K372 PolarHBondContact O-N 3.4Å; K372-Q374 PolarHBondContact O-N 3.01Å
373V42.3Very low56.6Low89 Ų8998.5 Ų98.554%0.53952%0.519SS..  trans-54107.5175.4178.70000108.5E321 T371 R375E321-V373 WeakPolarHBondContact OE1-CG1 3.48Å; T371-V373 VanDerWaalsContact C-N 3.34Å; T371-V373 PolarHBondContact O-N 3.46Å; V373-R375 PolarHBondContact O-N 3.22Å; V373-R375 VanDerWaalsContact O-N 3.12Å
374Q44.7Very low59.9Low138 Ų13892 Ų9265%0.64548%0.48SS*.  trans-70.9107.7170.6-70.1-176.3-1.100107K372 G376 M377K372-Q374 PolarHBondContact O-N 3.01Å; Q374-G376 PolarHBondContact O-N 3.24Å; Q374-M377 HydrophobicContact CB-CG 4.11Å; Q374-M377 PolarHBondContact O-N 3.33Å
375R60.4Low63.3Low253 Ų25384.7 Ų84.796%0.95545%0.447SS*.THydrogen-bonded Turntrans-46112.4178.7-80.8-175.4174.9174.7-0.6110V373V373-R375 PolarHBondContact O-N 3.22Å; V373-R375 VanDerWaalsContact O-N 3.12Å
376G80.2Confident66.6Low36 Ų3680.6 Ų80.637%0.37143%0.429SS..THydrogen-bonded Turntrans108.62.7179.900000116.1R290 Q374R290-G376 VanDerWaalsContact CB-O 3.27Å; R290-G376 WeakPolarHBondContact CB-O 3.32Å; R290-G376 PolarHBondContact N-O 2.94Å; Q374-G376 PolarHBondContact O-N 3.24Å
377M88.4Confident69.8Low59 Ų5980 Ų8029%0.29142%0.417SS..EExtended strand (participates in β ladder)trans-93.5153.9163.9-61.3-60.4-174.900111.4Q287 V288 P289 Q374Q287-M377 HydrophobicContact CB-CB 4.23Å; Q287-M377 HydrophobicContact CB-CG 4.4Å; V288-M377 CarbonylContact O-C 3.58Å; P289-M377 HydrophobicContact CB-SD 4.24Å; P289-M377 HydrophobicContact CG-CE 4.34Å; P289-M377 HydrophobicContact CG-SD 3.86Å; Q374-M377 HydrophobicContact CB-CG 4.11Å; Q374-M377 PolarHBondContact O-N 3.33Å
378V91.7Very high73.1Confident13 Ų1373 Ų738%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-130.5123176.4177.50000108.3V288 R290 V293 I318 F380V288-V378 PolarHBondContact N-O 3.27Å; V288-V378 PolarHBondContact O-N 2.96Å; R290-V378 HydrophobicContact CB-CG2 3.95Å; R290-V378 HydrophobicContact CG-CG2 4Å; V293-V378 HydrophobicContact CG2-CB 3.76Å; V293-V378 HydrophobicContact CG2-CG1 4.23Å; V293-V378 HydrophobicContact CG2-CG2 3.85Å; I318-V378 HydrophobicContact CG2-CG1 3.84Å; V378-F380 HydrophobicContact CG1-CE1 4.31Å; V378-F380 PolarHBondContact O-N 3.25Å
379P94.7Very high76.1Confident20 Ų2067.6 Ų67.613%0.1335%0.351CS..EExtended strand (participates in β ladder)trans-71.7127-179.929-36.6000112.2V285 E319 V381V285-P379 HydrophobicContact CG1-CB 3.36Å; E319-P379 HydrophobicContact CB-CG 3.85Å; E319-P379 HydrophobicContact CG-CG 4.26Å; E319-P379 PolarHBondContact N-O 3.13Å; E319-P379 VanDerWaalsContact N-O 3.13Å; E319-P379 WeakPolarHBondContact O-CD 3.38Å; P379-V381 HydrophobicContact CB-CG2 4.38Å
380F95.8Very high79.4Confident0 Ų062.7 Ų62.70%033%0.333CS..EExtended strand (participates in β ladder)trans-104.5109167.4-81.247.9000107.5I286 V288 V293 V296 I297 I304 V316 R317 I318 V378 F382I286-F380 PolarHBondContact N-O 2.68Å; I286-F380 PolarHBondContact O-N 3.38Å; V288-F380 HydrophobicContact CB-CD1 3.73Å; V288-F380 HydrophobicContact CB-CE1 3.69Å; V288-F380 HydrophobicContact CB-CG 4.45Å; V288-F380 HydrophobicContact CB-CZ 4.36Å; V288-F380 HydrophobicContact CG1-CE1 4.01Å; V288-F380 HydrophobicContact CG1-CZ 4.29Å; V288-F380 HydrophobicContact CG2-CB 4.22Å; V288-F380 HydrophobicContact CG2-CD1 3.47Å; V288-F380 VanDerWaalsContact CG2-CD1 3.47Å; V288-F380 HydrophobicContact CG2-CD2 4.14Å; V288-F380 HydrophobicContact CG2-CE1 3.77Å; V288-F380 HydrophobicContact CG2-CE2 4.39Å; V288-F380 HydrophobicContact CG2-CG 3.68Å; V288-F380 HydrophobicContact CG2-CZ 4.21Å; V293-F380 HydrophobicContact CG1-CE1 4.13Å; V293-F380 HydrophobicContact CG1-CZ 4.11Å; V293-F380 HydrophobicContact CG2-CE1 4.04Å; V296-F380 HydrophobicContact CG1-CE2 3.75Å; V296-F380 HydrophobicContact CG1-CZ 4.14Å; I297-F380 HydrophobicContact CG1-CE2 4.45Å; I297-F380 HydrophobicContact CG1-CZ 4.11Å; I304-F380 HydrophobicContact CD1-CD2 3.99Å; I304-F380 HydrophobicContact CD1-CE2 3.97Å; I304-F380 HydrophobicContact CG1-CE2 4.32Å; V316-F380 HydrophobicContact CG2-CB 4.31Å; V316-F380 HydrophobicContact CG2-CD2 4.29Å; R317-F380 CarbonylContact O-C 3.56Å; R317-F380 WeakPolarHBondContact O-CA 3.22Å; I318-F380 HydrophobicContact CB-CE1 4.43Å; I318-F380 HydrophobicContact CD1-CD2 4.16Å; I318-F380 HydrophobicContact CD1-CE1 4.15Å; I318-F380 HydrophobicContact CD1-CE2 3.58Å; I318-F380 HydrophobicContact CD1-CZ 3.58Å; I318-F380 HydrophobicContact CG1-CD1 4.15Å; I318-F380 HydrophobicContact CG1-CD2 3.96Å; I318-F380 HydrophobicContact CG1-CE1 4.04Å; I318-F380 HydrophobicContact CG1-CE2 3.87Å; I318-F380 HydrophobicContact CG1-CG 4.1Å; I318-F380 HydrophobicContact CG1-CZ 3.92Å; I318-F380 HydrophobicContact CG2-CD1 4Å; I318-F380 HydrophobicContact CG2-CE1 3.62Å; I318-F380 HydrophobicContact CG2-CZ 4.12Å; V378-F380 HydrophobicContact CG1-CE1 4.31Å; V378-F380 PolarHBondContact O-N 3.25Å; F380-F382 HydrophobicContact CB-CD2 4.36Å; F380-F382 HydrophobicContact CB-CE2 3.78Å; F380-F382 HydrophobicContact CD2-CE2 4.49Å
381V95.8Very high82.6Confident2 Ų261.6 Ų61.61%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-99.3104.3-170.7-173.90000108.9E283 D284 V285 V316 R317 E319 P379E283-V381 HydrophobicContact CG-CG1 3.44Å; E283-V381 VanDerWaalsContact CG-CG1 3.44Å; E283-V381 WeakPolarHBondContact OE1-CG1 3.25Å; D284-V381 CarbonylContact O-C 3.58Å; D284-V381 WeakPolarHBondContact O-CA 3.5Å; V285-V381 HydrophobicContact CG1-CG2 4.28Å; V285-V381 HydrophobicContact CG2-CG1 4.28Å; V285-V381 HydrophobicContact CG2-CG2 4.1Å; V316-V381 CarbonylContact C-O 3.58Å; V316-V381 WeakPolarHBondContact CA-O 3.46Å; R317-V381 HydrophobicContact CB-CB 4.21Å; R317-V381 PolarHBondContact N-O 2.91Å; R317-V381 PolarHBondContact O-N 2.84Å; E319-V381 HydrophobicContact CG-CG2 3.9Å; P379-V381 HydrophobicContact CB-CG2 4.38Å
382F96.8Very high85.3Confident0 Ų055.8 Ų55.80%028%0.283CS..EExtended strand (participates in β ladder)trans-94.6137.7-178.1-72.9-89.1000110.9E283 D284 I286 I304 I307 V308 V313 V316 F380 I389 A392 L396E283-F382 WeakPolarHBondContact CA-O 3.21Å; D284-F382 PolarHBondContact N-O 2.95Å; D284-F382 PolarHBondContact O-N 2.78Å; I286-F382 HydrophobicContact CB-CE2 4.46Å; I286-F382 HydrophobicContact CD1-CD2 3.65Å; I286-F382 HydrophobicContact CD1-CE2 3.67Å; I286-F382 HydrophobicContact CG1-CD2 4.01Å; I286-F382 HydrophobicContact CG1-CE2 4.23Å; I304-F382 HydrophobicContact CD1-CE1 4.39Å; I304-F382 HydrophobicContact CD1-CZ 3.97Å; I307-F382 HydrophobicContact CG2-CE1 4.49Å; V308-F382 HydrophobicContact CG2-CE1 4.41Å; V313-F382 HydrophobicContact CB-CD1 4.44Å; V313-F382 HydrophobicContact CG1-CD1 4.34Å; V313-F382 HydrophobicContact CG2-CD1 3.88Å; V313-F382 HydrophobicContact CG2-CE1 4.38Å; V316-F382 HydrophobicContact CB-CD1 3.79Å; V316-F382 HydrophobicContact CB-CE1 3.71Å; V316-F382 HydrophobicContact CB-CG 4.41Å; V316-F382 HydrophobicContact CB-CZ 4.26Å; V316-F382 HydrophobicContact CG2-CD1 3.83Å; V316-F382 HydrophobicContact CG2-CD2 4.08Å; V316-F382 HydrophobicContact CG2-CE1 3.64Å; V316-F382 HydrophobicContact CG2-CE2 3.87Å; V316-F382 HydrophobicContact CG2-CG 4.08Å; V316-F382 HydrophobicContact CG2-CZ 3.67Å; F380-F382 HydrophobicContact CB-CD2 4.36Å; F380-F382 HydrophobicContact CB-CE2 3.78Å; F380-F382 HydrophobicContact CD2-CE2 4.49Å; F382-I389 HydrophobicContact CB-CG1 4.38Å; F382-A392 HydrophobicContact CD1-CB 3.85Å; F382-A392 HydrophobicContact CE1-CB 3.89Å; F382-A392 HydrophobicContact CG-CB 4.32Å; F382-A392 HydrophobicContact CZ-CB 4.39Å; F382-L396 HydrophobicContact CE2-CD2 3.85Å; F382-L396 HydrophobicContact CZ-CD2 4.14Å
383V96.8Very high88Confident0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-125126.4179.2-1780000109.5L229 L232 E283 V314 R315L229-V383 HydrophobicContact CD2-CG1 3.57Å; L232-V383 HydrophobicContact CD1-CG1 4.2Å; E283-V383 HydrophobicContact CB-CG2 4.17Å; E283-V383 HydrophobicContact CG-CG2 3.85Å; E283-V383 WeakPolarHBondContact OE2-CG2 3.34Å; V314-V383 WeakPolarHBondContact CB-O 3.36Å; V314-V383 PolarHBondContact N-O 3.39Å; R315-V383 HydrophobicContact CG-CB 3.94Å; R315-V383 HydrophobicContact CG-CG2 4.32Å; R315-V383 PolarHBondContact N-O 2.99Å; R315-V383 PolarHBondContact O-N 2.75Å
384G96.8Very high90.6Very high0 Ų049.3 Ų49.30%026%0.259CS..EExtended strand (participates in β ladder)trans173.5-169.8-176.600000111.5F281 A282F281-G384 CarbonylContact C-O 3.58Å; F281-G384 WeakPolarHBondContact CA-O 3.48Å; F281-G384 VanDerWaalsContact CD1-C 3.46Å; A282-G384 PolarHBondContact N-O 2.8Å; A282-G384 PolarHBondContact O-N 3.32Å
385T96.7Very high93.1Very high21 Ų2145.3 Ų45.313%0.12924%0.242CC..EExtended strand (participates in β ladder)trans-67.1154.3165.860.20000109.8S277 E280 F281 D387 S388 I389S277-T385 WeakPolarHBondContact O-CG2 3.41Å; E280-T385 WeakPolarHBondContact O-CA 3.22Å; F281-T385 HydrophobicContact CD1-CG2 4.36Å; F281-T385 HydrophobicContact CD2-CG2 4.04Å; F281-T385 HydrophobicContact CE1-CG2 4Å; F281-T385 HydrophobicContact CE2-CG2 3.66Å; F281-T385 HydrophobicContact CG-CG2 4.39Å; F281-T385 HydrophobicContact CZ-CG2 3.64Å; T385-D387 PolarHBondContact O-N 3.14Å; T385-S388 PolarHBondContact O-N 3.22Å; T385-S388 VanDerWaalsContact O-N 3.1Å; T385-S388 WeakPolarHBondContact OG1-CB 3.42Å; T385-S388 PolarHBondContact OG1-N 2.95Å; T385-S388 PolarHBondContact OG1-OG 2.99Å; T385-I389 WeakPolarHBondContact O-CG1 3.39Å; T385-I389 PolarHBondContact O-N 3.24Å
386K95.3Very high94.7Very high104 Ų10433.3 Ų33.345%0.45220%0.196SC..Hα-helixtrans-54.9-39.5177.6-76.4-170.2-179.8169.60113.3E280 A282 I389 A390E280-K386 HydrophobicContact CG-CD 3.92Å; E280-K386 HydrophobicContact CG-CG 4.15Å; E280-K386 PolarHBondContact O-N 2.88Å; E280-K386 VanDerWaalsContact OE1-CE 3.29Å; E280-K386 WeakPolarHBondContact OE1-CE 3.43Å; E280-K386 IonicContact OE1-NZ 3.24Å; E280-K386 PolarHBondContact OE1-NZ 2.96Å; A282-K386 HydrophobicContact CB-CG 4.05Å; K386-I389 PolarHBondContact O-N 2.88Å; K386-A390 WeakPolarHBondContact O-CB 3.23Å; K386-A390 PolarHBondContact O-N 2.99Å
387D94.8Very high95.4Very high91 Ų9135 Ų3549%0.48720%0.197SC..Hα-helixtrans-62.1-44.7176.7-67.2-3.7000111.7S277 T385 A390 N391S277-D387 WeakPolarHBondContact CB-OD2 3.5Å; T385-D387 PolarHBondContact O-N 3.14Å; D387-A390 PolarHBondContact O-N 3.28Å; D387-N391 PolarHBondContact O-N 3.26Å; D387-N391 PolarHBondContact O-ND2 2.82Å
388S96.4Very high95.7Very high19 Ų1940.6 Ų40.613%0.13322%0.216CC..Hα-helixtrans-65.9-39.1176.2-79.50000112.6S311 G312 V313 T385 N391 A392S311-S388 WeakPolarHBondContact CB-O 3.23Å; S311-S388 WeakPolarHBondContact O-CA 3.3Å; S311-S388 VanDerWaalsContact O-CB 3.24Å; S311-S388 WeakPolarHBondContact O-CB 3.27Å; S311-S388 PolarHBondContact O-OG 2.86Å; G312-S388 PolarHBondContact O-OG 2.92Å; V313-S388 VanDerWaalsContact CG1-C 3.45Å; V313-S388 VanDerWaalsContact CG1-O 3.26Å; V313-S388 WeakPolarHBondContact CG1-O 3.49Å; T385-S388 PolarHBondContact O-N 3.22Å; T385-S388 VanDerWaalsContact O-N 3.1Å; T385-S388 WeakPolarHBondContact OG1-CB 3.42Å; T385-S388 PolarHBondContact OG1-N 2.95Å; T385-S388 PolarHBondContact OG1-OG 2.99Å; S388-N391 WeakPolarHBondContact O-CB 3.31Å; S388-N391 PolarHBondContact O-N 3.4Å; S388-A392 PolarHBondContact O-N 2.78Å
389I96.4Very high95.8Very high6 Ų641.5 Ų41.53%0.03122%0.219CC..Hα-helixtrans-63.2-45.7174.9-68.9171.3000110.3A282 D284 V313 F382 T385 K386 N391 A392 T393A282-I389 HydrophobicContact CB-CD1 4.07Å; A282-I389 WeakPolarHBondContact O-CD1 3.41Å; D284-I389 HydrophobicContact CB-CD1 4.4Å; D284-I389 HydrophobicContact CB-CG2 3.69Å; V313-I389 HydrophobicContact CG1-CG1 4.16Å; F382-I389 HydrophobicContact CB-CG1 4.38Å; T385-I389 WeakPolarHBondContact O-CG1 3.39Å; T385-I389 PolarHBondContact O-N 3.24Å; K386-I389 PolarHBondContact O-N 2.88Å; I389-N391 VanDerWaalsContact C-N 3.3Å; I389-N391 PolarHBondContact O-N 2.8Å; I389-A392 WeakPolarHBondContact O-CA 3.49Å; I389-A392 WeakPolarHBondContact O-CB 3.24Å; I389-A392 PolarHBondContact O-N 3.1Å; I389-T393 PolarHBondContact O-N 2.83Å; I389-T393 PolarHBondContact O-OG1 3.11Å; I389-T393 VanDerWaalsContact O-OG1 3.09Å
390A96.4Very high95.7Very high54 Ų5440.9 Ų40.945%0.44622%0.215SC..Hα-helixtrans-58.7-41.2175.700000112.1K386 D387 A392 T393 V394K386-A390 WeakPolarHBondContact O-CB 3.23Å; K386-A390 PolarHBondContact O-N 2.99Å; D387-A390 PolarHBondContact O-N 3.28Å; A390-A392 VanDerWaalsContact C-N 3.35Å; A390-A392 PolarHBondContact O-N 2.92Å; A390-T393 PolarHBondContact O-N 3.36Å; A390-V394 WeakPolarHBondContact O-CG2 3.3Å; A390-V394 PolarHBondContact O-N 2.81Å
391N96.3Very high95.6Very high82 Ų8245 Ų4544%0.43924%0.237SC..Hα-helixtrans-61.7-40.7172.9-67.4-31.8000112.2D387 S388 I389 V394 L395D387-N391 PolarHBondContact O-N 3.26Å; D387-N391 PolarHBondContact O-ND2 2.82Å; S388-N391 WeakPolarHBondContact O-CB 3.31Å; S388-N391 PolarHBondContact O-N 3.4Å; I389-N391 VanDerWaalsContact C-N 3.3Å; I389-N391 PolarHBondContact O-N 2.8Å; N391-V394 PolarHBondContact O-N 3.29Å; N391-L395 VanDerWaalsContact O-CG 3.3Å; N391-L395 WeakPolarHBondContact O-CG 3.46Å; N391-L395 PolarHBondContact O-N 2.95Å; N391-L395 VanDerWaalsContact O-N 3.07Å
392A96.3Very high95.4Very high0 Ų050.7 Ų50.70%026%0.259CS..Hα-helixtrans-63.8-41.717600000111.6I307 V313 F382 S388 I389 A390 L395 L396I307-A392 HydrophobicContact CG2-CB 4.47Å; V313-A392 HydrophobicContact CG1-CB 3.84Å; F382-A392 HydrophobicContact CD1-CB 3.85Å; F382-A392 HydrophobicContact CE1-CB 3.89Å; F382-A392 HydrophobicContact CG-CB 4.32Å; F382-A392 HydrophobicContact CZ-CB 4.39Å; S388-A392 PolarHBondContact O-N 2.78Å; I389-A392 WeakPolarHBondContact O-CA 3.49Å; I389-A392 WeakPolarHBondContact O-CB 3.24Å; I389-A392 PolarHBondContact O-N 3.1Å; A390-A392 VanDerWaalsContact C-N 3.35Å; A390-A392 PolarHBondContact O-N 2.92Å; A392-L395 PolarHBondContact O-N 2.86Å; A392-L396 WeakPolarHBondContact O-CB 3.39Å; A392-L396 PolarHBondContact O-N 2.85Å
393T95.4Very high95.1Very high36 Ų3651.5 Ų51.522%0.22126%0.263CS..Hα-helixtrans-58.8-50.3174.7-51.10000111.6I286 I389 A390 L395 L396 D397I286-T393 HydrophobicContact CD1-CG2 4.12Å; I286-T393 VanDerWaalsContact CD1-OG1 3.26Å; I286-T393 WeakPolarHBondContact CD1-OG1 3.41Å; I389-T393 PolarHBondContact O-N 2.83Å; I389-T393 PolarHBondContact O-OG1 3.11Å; I389-T393 VanDerWaalsContact O-OG1 3.09Å; A390-T393 PolarHBondContact O-N 3.36Å; T393-L395 PolarHBondContact O-N 3.41Å; T393-L396 PolarHBondContact O-N 3.16Å; T393-D397 WeakPolarHBondContact O-CB 3.4Å; T393-D397 PolarHBondContact O-N 2.9Å
394V96.7Very high94.8Very high101 Ų10156.5 Ų56.561%0.61229%0.285SS*.Hα-helixtrans-60.1-44179.1172.60000111.9A390 N391 Y398A390-V394 WeakPolarHBondContact O-CG2 3.3Å; A390-V394 PolarHBondContact O-N 2.81Å; N391-V394 PolarHBondContact O-N 3.29Å; V394-Y398 VanDerWaalsContact O-CB 3.29Å; V394-Y398 WeakPolarHBondContact O-CB 3.38Å; V394-Y398 PolarHBondContact O-N 2.81Å
395L96.1Very high94.6Very high55 Ų5562 Ų6229%0.28831%0.311SS..Hα-helixtrans-65.4-40.4177.8-71.3172.4000112.3I307 K310 N391 A392 T393 H399I307-L395 HydrophobicContact CG1-CB 4.42Å; I307-L395 HydrophobicContact CG2-CB 4.06Å; I307-L395 HydrophobicContact CG2-CD1 4.47Å; K310-L395 HydrophobicContact CB-CD1 3.66Å; N391-L395 VanDerWaalsContact O-CG 3.3Å; N391-L395 WeakPolarHBondContact O-CG 3.46Å; N391-L395 PolarHBondContact O-N 2.95Å; N391-L395 VanDerWaalsContact O-N 3.07Å; A392-L395 PolarHBondContact O-N 2.86Å; T393-L395 PolarHBondContact O-N 3.41Å; L395-H399 WeakPolarHBondContact O-CB 3.44Å; L395-H399 PolarHBondContact O-N 2.93Å; L395-H399 VanDerWaalsContact O-N 3.12Å
396L95.4Very high94.3Very high0 Ų062.5 Ų62.50%031%0.314CS..Hα-helixtrans-70.5-45.3179.517954.2000111.6I286 V288 V296 I307 F382 A392 T393 H399 L400I286-L396 HydrophobicContact CB-CD2 4.04Å; I286-L396 HydrophobicContact CD1-CD2 4Å; I286-L396 HydrophobicContact CG2-CD2 3.72Å; V288-L396 HydrophobicContact CG2-CD1 4.45Å; V288-L396 HydrophobicContact CG2-CD2 4.03Å; V296-L396 HydrophobicContact CG1-CD1 3.42Å; V296-L396 VanDerWaalsContact CG1-CD1 3.42Å; V296-L396 HydrophobicContact CG2-CD1 4.38Å; I307-L396 HydrophobicContact CD1-CD1 4.35Å; F382-L396 HydrophobicContact CE2-CD2 3.85Å; F382-L396 HydrophobicContact CZ-CD2 4.14Å; A392-L396 WeakPolarHBondContact O-CB 3.39Å; A392-L396 PolarHBondContact O-N 2.85Å; T393-L396 PolarHBondContact O-N 3.16Å; L396-H399 PolarHBondContact O-N 2.87Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.06Å; L396-L400 HydrophobicContact CG-CD1 3.98Å; L396-L400 HydrophobicContact CG-CG 4.41Å; L396-L400 WeakPolarHBondContact O-CB 3.43Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.5Å; L396-L400 PolarHBondContact O-N 2.89Å
397D94.1Very high93.9Very high73 Ų7359 Ų5939%0.3930%0.3SS..Hα-helixtrans-63-43.3177.3-79.8-21.7000112T393 H399 L400 N401T393-D397 WeakPolarHBondContact O-CB 3.4Å; T393-D397 PolarHBondContact O-N 2.9Å; D397-H399 VanDerWaalsContact C-N 3.31Å; D397-H399 PolarHBondContact O-N 2.87Å; D397-L400 PolarHBondContact O-N 2.91Å; D397-N401 WeakPolarHBondContact O-CB 3.48Å; D397-N401 VanDerWaalsContact O-CG 3.26Å; D397-N401 PolarHBondContact O-N 2.85Å; D397-N401 PolarHBondContact O-ND2 2.83Å
398Y94.9Very high93.7Very high176 Ų17661.2 Ų61.269%0.6931%0.307SS*.Hα-helixtrans-57-46.6173179.7-98000111.1V394 N401 Y402V394-Y398 VanDerWaalsContact O-CB 3.29Å; V394-Y398 WeakPolarHBondContact O-CB 3.38Å; V394-Y398 PolarHBondContact O-N 2.81Å; Y398-N401 PolarHBondContact O-N 3.22Å; Y398-Y402 PolarHBondContact O-N 3.01Å
399H92.9Very high93.5Very high32 Ų3264.9 Ų64.915%0.14833%0.325CS..Hα-helixtrans-67.2-41178.6-168.769.2000112.9L303 L395 L396 D397 N401 Y402 L403L303-H399 VanDerWaalsContact CD2-CE1 3.43Å; L303-H399 WeakPolarHBondContact CD2-CE1 3.46Å; L303-H399 VanDerWaalsContact CD2-NE2 3.27Å; L303-H399 WeakPolarHBondContact CD2-NE2 3.47Å; L395-H399 WeakPolarHBondContact O-CB 3.44Å; L395-H399 PolarHBondContact O-N 2.93Å; L395-H399 VanDerWaalsContact O-N 3.12Å; L396-H399 PolarHBondContact O-N 2.87Å; D397-H399 VanDerWaalsContact C-N 3.31Å; D397-H399 PolarHBondContact O-N 2.87Å; H399-N401 VanDerWaalsContact C-N 3.32Å; H399-N401 PolarHBondContact O-N 2.84Å; H399-Y402 PolarHBondContact O-N 2.74Å; H399-L403 VanDerWaalsContact NE2-CD1 3.34Å; H399-L403 WeakPolarHBondContact NE2-CD1 3.21Å; H399-L403 WeakPolarHBondContact NE2-CG 3.4Å; H399-L403 WeakPolarHBondContact O-CG 3.24Å; H399-L403 PolarHBondContact O-N 2.85Å
400L93.2Very high93.1Very high7 Ų770.9 Ų70.94%0.03735%0.347CS..Hα-helixtrans-61.5-40.3176.6-76.2170.9000112V288 L292 V296 L396 D397 L403 K404V288-L400 HydrophobicContact CG1-CD2 4.12Å; L292-L400 HydrophobicContact CB-CD2 4.2Å; L292-L400 HydrophobicContact CD1-CD2 3.94Å; V296-L400 HydrophobicContact CG2-CD2 3.56Å; V296-L400 HydrophobicContact CG2-CG 4.37Å; L396-L400 HydrophobicContact CD1-CD1 4.1Å; L396-L400 HydrophobicContact CD1-CG 4.06Å; L396-L400 HydrophobicContact CG-CD1 3.98Å; L396-L400 HydrophobicContact CG-CG 4.41Å; L396-L400 WeakPolarHBondContact O-CB 3.43Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.5Å; L396-L400 PolarHBondContact O-N 2.89Å; D397-L400 PolarHBondContact O-N 2.91Å; L400-L403 PolarHBondContact O-N 2.82Å; L400-K404 VanDerWaalsContact O-CG 3.29Å; L400-K404 WeakPolarHBondContact O-CG 3.39Å; L400-K404 PolarHBondContact O-N 2.87Å; L400-K404 VanDerWaalsContact O-N 3.08Å
401N93.3Very high92.7Very high86 Ų8674 Ų7446%0.4636%0.356SS..Hα-helixtrans-70.2-42.6178.2-68.5-23000111.5D397 Y398 H399 L403 K404 E405D397-N401 WeakPolarHBondContact O-CB 3.48Å; D397-N401 VanDerWaalsContact O-CG 3.26Å; D397-N401 PolarHBondContact O-N 2.85Å; D397-N401 PolarHBondContact O-ND2 2.83Å; Y398-N401 PolarHBondContact O-N 3.22Å; H399-N401 VanDerWaalsContact C-N 3.32Å; H399-N401 PolarHBondContact O-N 2.84Å; N401-L403 VanDerWaalsContact C-N 3.31Å; N401-L403 PolarHBondContact O-N 2.99Å; N401-K404 PolarHBondContact O-N 2.81Å; N401-K404 VanDerWaalsContact O-N 3.17Å; N401-K404 PolarHBondContact OD1-NZ 3.37Å; N401-E405 PolarHBondContact O-N 2.85Å
402Y92.3Very high92.5Very high122 Ų12275 Ų7548%0.47836%0.358SS..Hα-helixtrans-56.4-42.6170.9174-104.3000112.5Y398 H399 E405 V406Y398-Y402 PolarHBondContact O-N 3.01Å; H399-Y402 PolarHBondContact O-N 2.74Å; Y402-E405 PolarHBondContact O-N 3.47Å; Y402-V406 HydrophobicContact CD1-CG2 4.45Å; Y402-V406 HydrophobicContact CD2-CG2 4.21Å; Y402-V406 HydrophobicContact CE1-CG2 4.01Å; Y402-V406 HydrophobicContact CE2-CG2 3.74Å; Y402-V406 WeakPolarHBondContact O-CB 3.42Å; Y402-V406 VanDerWaalsContact O-CG2 3.31Å; Y402-V406 WeakPolarHBondContact O-CG2 3.35Å; Y402-V406 PolarHBondContact O-N 2.67Å
403L91.4Very high92.1Very high16 Ų1682.8 Ų82.88%0.08439%0.387CS..Hα-helixtrans-64.3-39.7176.5-72.8177.9000113.1L292 K295 V296 H399 L400 N401 D407L292-L403 HydrophobicContact CB-CD1 4.49Å; L292-L403 HydrophobicContact CD2-CB 4.24Å; K295-L403 HydrophobicContact CB-CD1 3.6Å; K295-L403 HydrophobicContact CB-CD2 3.92Å; K295-L403 HydrophobicContact CB-CG 4.42Å; K295-L403 HydrophobicContact CD-CD1 4.47Å; K295-L403 HydrophobicContact CD-CD2 4.05Å; V296-L403 HydrophobicContact CG2-CD1 3.82Å; H399-L403 VanDerWaalsContact NE2-CD1 3.34Å; H399-L403 WeakPolarHBondContact NE2-CD1 3.21Å; H399-L403 WeakPolarHBondContact NE2-CG 3.4Å; H399-L403 WeakPolarHBondContact O-CG 3.24Å; H399-L403 PolarHBondContact O-N 2.85Å; L400-L403 PolarHBondContact O-N 2.82Å; N401-L403 VanDerWaalsContact C-N 3.31Å; N401-L403 PolarHBondContact O-N 2.99Å; L403-D407 WeakPolarHBondContact O-CB 3.37Å; L403-D407 PolarHBondContact O-N 3.05Å
404K90.4Very high91.8Very high105 Ų10586.4 Ų86.446%0.45740%0.404SS..Hα-helixtrans-63.5-45.7176-68.8165.3-163.21630111.1L292 L400 N401 D407 Q408L292-K404 HydrophobicContact CD1-CG 4.19Å; L400-K404 VanDerWaalsContact O-CG 3.29Å; L400-K404 WeakPolarHBondContact O-CG 3.39Å; L400-K404 PolarHBondContact O-N 2.87Å; L400-K404 VanDerWaalsContact O-N 3.08Å; N401-K404 PolarHBondContact O-N 2.81Å; N401-K404 VanDerWaalsContact O-N 3.17Å; N401-K404 PolarHBondContact OD1-NZ 3.37Å; K404-D407 PolarHBondContact O-N 2.91Å; K404-Q408 WeakPolarHBondContact O-CB 3.46Å; K404-Q408 PolarHBondContact O-N 3.44Å
405E91.6Very high91.4Very high117 Ų11787.5 Ų87.555%0.54740%0.403SS..Hα-helixtrans-61.6-46.1178-173.4-179.5-174.800111.6N401 Y402 D407 Q408 L409N401-E405 PolarHBondContact O-N 2.85Å; Y402-E405 PolarHBondContact O-N 3.47Å; E405-D407 VanDerWaalsContact C-N 3.33Å; E405-D407 PolarHBondContact O-N 3.35Å; E405-Q408 WeakPolarHBondContact O-CB 3.3Å; E405-Q408 PolarHBondContact O-N 2.94Å; E405-L409 HydrophobicContact CG-CD1 4.4Å; E405-L409 WeakPolarHBondContact O-CG 3.41Å; E405-L409 PolarHBondContact O-N 2.89Å
406V90.3Very high90.9Very high31 Ų3188.7 Ų88.719%0.18841%0.409CS..Hα-helixtrans-63-37.4176169.30000112.3Y402 R410Y402-V406 HydrophobicContact CD1-CG2 4.45Å; Y402-V406 HydrophobicContact CD2-CG2 4.21Å; Y402-V406 HydrophobicContact CE1-CG2 4.01Å; Y402-V406 HydrophobicContact CE2-CG2 3.74Å; Y402-V406 WeakPolarHBondContact O-CB 3.42Å; Y402-V406 VanDerWaalsContact O-CG2 3.31Å; Y402-V406 WeakPolarHBondContact O-CG2 3.35Å; Y402-V406 PolarHBondContact O-N 2.67Å; V406-R410 WeakPolarHBondContact O-CD 3.36Å; V406-R410 VanDerWaalsContact O-CG 3.27Å; V406-R410 WeakPolarHBondContact O-CG 3.21Å; V406-R410 PolarHBondContact O-N 2.84Å
407D87.9Confident90.4Very high30 Ų3092 Ų9216%0.1643%0.426CS..Hα-helixtrans-72.2-35.9175.1-74.8-18000111.9K295 L403 K404 E405 R410 L411K295-D407 IonicContact NZ-OD1 3.27Å; K295-D407 PolarHBondContact NZ-OD1 2.81Å; K295-D407 IonicContact NZ-OD2 2.6Å; K295-D407 PolarHBondContact NZ-OD2 3.42Å; L403-D407 WeakPolarHBondContact O-CB 3.37Å; L403-D407 PolarHBondContact O-N 3.05Å; K404-D407 PolarHBondContact O-N 2.91Å; E405-D407 VanDerWaalsContact C-N 3.33Å; E405-D407 PolarHBondContact O-N 3.35Å; D407-R410 WeakPolarHBondContact O-CB 3.48Å; D407-R410 PolarHBondContact O-N 3.28Å; D407-R410 IonicContact OD1-CZ 3.95Å; D407-R410 IonicContact OD1-NH1 2.69Å; D407-R410 PolarHBondContact OD1-NH1 2.79Å; D407-L411 WeakPolarHBondContact O-CD1 3.11Å; D407-L411 PolarHBondContact O-N 2.84Å
408Q90.4Very high90.1Very high137 Ų13794.3 Ų94.364%0.6444%0.435SS*.Hα-helixtrans-61.4-48.2173.6-177.7173.9-3.800111.7K404 E405 R410 L411 E412K404-Q408 WeakPolarHBondContact O-CB 3.46Å; K404-Q408 PolarHBondContact O-N 3.44Å; E405-Q408 WeakPolarHBondContact O-CB 3.3Å; E405-Q408 PolarHBondContact O-N 2.94Å; Q408-R410 PolarHBondContact O-N 2.69Å; Q408-L411 PolarHBondContact O-N 3.48Å; Q408-L411 VanDerWaalsContact O-N 3.07Å; Q408-E412 PolarHBondContact O-N 2.93Å
409L90.8Very high89.7Confident96 Ų9691 Ų9150%0.50343%0.425SS..Hα-helixtrans-61.2-30175.6-69.9169000112.6E405 R413E405-L409 HydrophobicContact CG-CD1 4.4Å; E405-L409 WeakPolarHBondContact O-CG 3.41Å; E405-L409 PolarHBondContact O-N 2.89Å; L409-R413 WeakPolarHBondContact O-CB 3.38Å; L409-R413 PolarHBondContact O-N 2.82Å
410R88.2Confident89Confident133 Ų13394.5 Ų94.550%0.50245%0.445SS..Hα-helixtrans-70.8-40.5172.4-75166.5174.41551.2112.4V406 D407 Q408 L414V406-R410 WeakPolarHBondContact O-CD 3.36Å; V406-R410 VanDerWaalsContact O-CG 3.27Å; V406-R410 WeakPolarHBondContact O-CG 3.21Å; V406-R410 PolarHBondContact O-N 2.84Å; D407-R410 WeakPolarHBondContact O-CB 3.48Å; D407-R410 PolarHBondContact O-N 3.28Å; D407-R410 IonicContact OD1-CZ 3.95Å; D407-R410 IonicContact OD1-NH1 2.69Å; D407-R410 PolarHBondContact OD1-NH1 2.79Å; Q408-R410 PolarHBondContact O-N 2.69Å; R410-L414 WeakPolarHBondContact O-CG 3.49Å; R410-L414 PolarHBondContact O-N 2.93Å
411L89.1Confident88.4Confident119 Ų119103.9 Ų103.962%0.62348%0.48SS*.Hα-helixtrans-64.7-45.8175.4-92.875.4000110.9D407 Q408 R413 L414 Q415D407-L411 WeakPolarHBondContact O-CD1 3.11Å; D407-L411 PolarHBondContact O-N 2.84Å; Q408-L411 PolarHBondContact O-N 3.48Å; Q408-L411 VanDerWaalsContact O-N 3.07Å; L411-R413 PolarHBondContact O-N 3.06Å; L411-L414 PolarHBondContact O-N 3.19Å; L411-L414 VanDerWaalsContact O-N 3.16Å; L411-Q415 PolarHBondContact O-N 3Å
412E90.7Very high87.5Confident104 Ų104106.2 Ų106.249%0.48649%0.488SS..Hα-helixtrans-58.1-47.5176.2-176.2178.3-173.300111.3Q408 L414 Q415 I416Q408-E412 PolarHBondContact O-N 2.93Å; E412-L414 VanDerWaalsContact C-N 3.35Å; E412-L414 PolarHBondContact O-N 2.84Å; E412-Q415 WeakPolarHBondContact O-CB 3.3Å; E412-Q415 PolarHBondContact O-N 3.31Å; E412-I416 HydrophobicContact CG-CD1 4.16Å; E412-I416 WeakPolarHBondContact O-CG1 3.16Å; E412-I416 PolarHBondContact O-N 3.04Å
413R88.2Confident86.5Confident163 Ų163106.5 Ų106.562%0.61550%0.497SS*.Hα-helixtrans-57.2-45.4173.9178.6-175.6162.6170.21.9112.4L409 L411 Q415 I416 D417L409-R413 WeakPolarHBondContact O-CB 3.38Å; L409-R413 PolarHBondContact O-N 2.82Å; L411-R413 PolarHBondContact O-N 3.06Å; R413-Q415 VanDerWaalsContact C-N 3.27Å; R413-Q415 PolarHBondContact O-N 3.48Å; R413-I416 PolarHBondContact O-N 2.84Å; R413-D417 IonicContact CZ-OD2 3.85Å; R413-D417 IonicContact NE-OD2 2.79Å; R413-D417 PolarHBondContact NE-OD2 3.33Å; R413-D417 VanDerWaalsContact NE-OD2 3.09Å; R413-D417 IonicContact NH2-OD2 3.67Å; R413-D417 WeakPolarHBondContact O-CB 3.15Å; R413-D417 PolarHBondContact O-N 3.29Å
414L90.3Very high85.1Confident112 Ų112108.6 Ų108.659%0.58652%0.522SS*.Hα-helixtrans-62.1-37.8178.9-75.9168.1000111.7R410 L411 E412 D417 E418R410-L414 WeakPolarHBondContact O-CG 3.49Å; R410-L414 PolarHBondContact O-N 2.93Å; L411-L414 PolarHBondContact O-N 3.19Å; L411-L414 VanDerWaalsContact O-N 3.16Å; E412-L414 VanDerWaalsContact C-N 3.35Å; E412-L414 PolarHBondContact O-N 2.84Å; L414-D417 PolarHBondContact O-N 2.6Å; L414-E418 WeakPolarHBondContact O-CB 3.47Å; L414-E418 PolarHBondContact O-N 2.97Å
415Q87.7Confident83.2Confident123 Ų123107.8 Ų107.858%0.57553%0.534SS*.Hα-helixtrans-66.2-38.5176.2-166171.512.600111.9L411 E412 R413 Q419L411-Q415 PolarHBondContact O-N 3Å; E412-Q415 WeakPolarHBondContact O-CB 3.3Å; E412-Q415 PolarHBondContact O-N 3.31Å; R413-Q415 VanDerWaalsContact C-N 3.27Å; R413-Q415 PolarHBondContact O-N 3.48Å; Q415-Q419 WeakPolarHBondContact O-CG 3.41Å; Q415-Q419 PolarHBondContact O-N 3.23Å
416I85.6Confident81.2Confident81 Ų81106.4 Ų106.442%0.41554%0.538SS..Hα-helixtrans-66.3-48.3172.5-65163.8000110.9E412 R413 E418 Q419 L420E412-I416 HydrophobicContact CG-CD1 4.16Å; E412-I416 WeakPolarHBondContact O-CG1 3.16Å; E412-I416 PolarHBondContact O-N 3.04Å; R413-I416 PolarHBondContact O-N 2.84Å; I416-E418 PolarHBondContact O-N 2.53Å; I416-Q419 PolarHBondContact O-N 2.92Å; I416-L420 HydrophobicContact CG2-CD1 4.07Å; I416-L420 HydrophobicContact CG2-CG 4.46Å; I416-L420 WeakPolarHBondContact O-CG 3.5Å; I416-L420 PolarHBondContact O-N 2.8Å
417D85.8Confident79.2Confident69 Ų69110.5 Ų110.537%0.36957%0.568SS.*Hα-helixtrans-60-34.3178.2-77.7-27.7000111R413 L414 R421R413-D417 IonicContact CZ-OD2 3.85Å; R413-D417 IonicContact NE-OD2 2.79Å; R413-D417 PolarHBondContact NE-OD2 3.33Å; R413-D417 VanDerWaalsContact NE-OD2 3.09Å; R413-D417 IonicContact NH2-OD2 3.67Å; R413-D417 WeakPolarHBondContact O-CB 3.15Å; R413-D417 PolarHBondContact O-N 3.29Å; L414-D417 PolarHBondContact O-N 2.6Å; D417-R421 WeakPolarHBondContact O-CB 3.41Å; D417-R421 PolarHBondContact O-N 2.72Å; D417-R421 VanDerWaalsContact O-N 3.11Å
418E87.3Confident77.3Confident121 Ų121120.9 Ų120.957%0.56561%0.605SS**Hα-helixtrans-73.4-41.9174.4-177.8155.5-146.300113.3L414 I416 L420 R421 Q422L414-E418 WeakPolarHBondContact O-CB 3.47Å; L414-E418 PolarHBondContact O-N 2.97Å; I416-E418 PolarHBondContact O-N 2.53Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 3.42Å; E418-R421 WeakPolarHBondContact O-CB 3.27Å; E418-R421 PolarHBondContact O-N 3.04Å; E418-R421 VanDerWaalsContact O-N 3.11Å; E418-Q422 WeakPolarHBondContact O-CG 3.37Å; E418-Q422 PolarHBondContact O-N 3.2Å
419Q85.9Confident74.9Confident106 Ų106119.7 Ų119.750%0.49561%0.609SS.*Hα-helixtrans-59.1-45172.2-75.7175.5-4.200111.5Q415 I416 R421 Q422 I423Q415-Q419 WeakPolarHBondContact O-CG 3.41Å; Q415-Q419 PolarHBondContact O-N 3.23Å; I416-Q419 PolarHBondContact O-N 2.92Å; Q419-R421 VanDerWaalsContact C-N 3.25Å; Q419-R421 PolarHBondContact O-N 2.89Å; Q419-Q422 PolarHBondContact O-N 3.19Å; Q419-I423 WeakPolarHBondContact O-CG1 3.48Å; Q419-I423 PolarHBondContact O-N 2.77Å
420L79.1Confident72.8Confident106 Ų106120.7 Ų120.756%0.55562%0.621SS**Hα-helixtrans-60.1-35.9174.6-70.6172.6000111.9I416 E418 I423 G424I416-L420 HydrophobicContact CG2-CD1 4.07Å; I416-L420 HydrophobicContact CG2-CG 4.46Å; I416-L420 WeakPolarHBondContact O-CG 3.5Å; I416-L420 PolarHBondContact O-N 2.8Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 3.42Å; L420-I423 PolarHBondContact O-N 3.15Å; L420-G424 PolarHBondContact O-N 2.72Å
421R80.3Confident71.3Confident204 Ų204120.5 Ų120.577%0.7764%0.637SS**Hα-helixtrans-72.4-32.3177-166.3171.2-175.8-103.8-0.6113.3D417 E418 Q419 A425D417-R421 WeakPolarHBondContact O-CB 3.41Å; D417-R421 PolarHBondContact O-N 2.72Å; D417-R421 VanDerWaalsContact O-N 3.11Å; E418-R421 WeakPolarHBondContact O-CB 3.27Å; E418-R421 PolarHBondContact O-N 3.04Å; E418-R421 VanDerWaalsContact O-N 3.11Å; Q419-R421 VanDerWaalsContact C-N 3.25Å; Q419-R421 PolarHBondContact O-N 2.89Å; R421-A425 PolarHBondContact O-N 2.69Å
422Q74.8Confident68.9Low135 Ų135122.9 Ų122.963%0.63165%0.651SS**Hα-helixtrans-70.1-39.4172.7-69177.414.800111.6E418 Q419E418-Q422 WeakPolarHBondContact O-CG 3.37Å; E418-Q422 PolarHBondContact O-N 3.2Å; Q419-Q422 PolarHBondContact O-N 3.19Å
423I71.3Confident66.8Low129 Ų129129 Ų12966%0.66267%0.669SS**Hα-helixtrans-70.7-40.3176.4-64.2164.2000111.1Q419 L420 A425Q419-I423 WeakPolarHBondContact O-CG1 3.48Å; Q419-I423 PolarHBondContact O-N 2.77Å; L420-I423 PolarHBondContact O-N 3.15Å; I423-A425 PolarHBondContact O-N 3.47Å
424G61.4Low64.6Low59 Ų59127.9 Ų127.961%0.60868%0.681SS**THydrogen-bonded Turntrans-75.32.118000000116.1L420 S426L420-G424 PolarHBondContact O-N 2.72Å; G424-S426 PolarHBondContact O-N 3.3Å
425A51.4Low62.1Low88 Ų88129.3 Ų129.373%0.72769%0.689SS**THydrogen-bonded Turntrans-73.9-9.1179.400000113.8R421 I423R421-A425 PolarHBondContact O-N 2.69Å; I423-A425 PolarHBondContact O-N 3.47Å
426S49.9Very low59.9Low88 Ų88132.2 Ų132.262%0.61570%0.7SS**SBendtrans-98.2126.5174.262.50000111.8G424G424-S426 PolarHBondContact O-N 3.3Å
427S46.6Very low57.5Low118 Ų118135.5 Ų135.583%0.82571%0.713SS**  trans85.390.7169.1-44.50000118.1
428R48.7Very low55.2Low247 Ų247140.4 Ų140.493%0.93273%0.731SS**  trans-135.9111.1150.6-133.1-172.9-168.6-158.23.5110.6
429P39.5Very low52.6Low113 Ų113139.2 Ų139.273%0.73474%0.737SS**PPolyproline II helixtrans-77.5160.3167.7-11.628.6000111.7
430P47.1Very low50.4Low116 Ų116144.4 Ų144.475%0.75375%0.753SS**PPolyproline II helixtrans-78.7162.8-178.833.3-35.8000112.9
431P57.8Low48.5Very low129 Ų129145.4 Ų145.484%0.83876%0.763SS**PPolyproline II helixtrans-78.4136.3-179.532.3-33.7000111.3
432N37.2Very low46.4Very low169 Ų169141.1 Ų141.190%0.90476%0.76SS**  trans-145144.3165.3-139-6.3000112.9
433R47.5Very low44.6Very low233 Ų233141 Ų14188%0.87976%0.763SS**  trans-104.8139.3-174.1-76.2168.7150.2169.7-8.8111.3
434T41.3Very low42.9Very low139 Ų139141 Ų14185%0.85377%0.765SS**  trans-176.8117.2143.938.20000105.9
435D38.3Very low41.7Very low143 Ų143140.7 Ų140.777%0.76576%0.762SS**  cis91.2121.442.4-1523.2000113.4
436K41.9Very low41.3Very low183 Ų183145 Ų14580%0.79677%0.767SS**  trans67144.3179.3-61.6177.2-177.4174.30118
437E34.5Very low40.6Very low151 Ų151144 Ų14471%0.70677%0.771SS**  cis-119.3-164.2-0-58.1-17594.300110.5
438K36.8Very low40.1Very low171 Ų171148 Ų14874%0.74378%0.779SS**  cis-156173.61.8-144.6151.2-165.5148.60110.9
439S32.9Very low39.5Very low97 Ų97139.3 Ų139.368%0.67877%0.765SS**  trans-94.7169175.4-51.30000111.6
440Y39.4Very low39.3Very low215 Ų215146.3 Ų146.384%0.84378%0.777SS**  cis-151.9172.934.8-96.9-95.3000108.6
441V40.8Very low38.5Very low126 Ų126144 Ų14476%0.76478%0.775SS**  cis-147.7162.434.8-1770000110.6
442T35.7Very low37.5Very low115 Ų115143.5 Ų143.571%0.70677%0.774SS**  trans-56.8173.4166.248.80000113.3
443D35.8Very low37.7Very low131 Ų131147 Ų14770%0.70178%0.775SS**  cis-160.617127.5-155.211.6000113.4
444D36.5Very low37.7Very low131 Ų131142.5 Ų142.570%0.70178%0.776SS**  trans3150.5165-81.8-30.2000122.6
445G36.7Very low37.4Very low52 Ų52146.8 Ų146.854%0.53678%0.778SS.*  cis168.81533.500000112.5
446Q41.8Very low37.2Very low179 Ų179149.7 Ų149.784%0.83678%0.778SS**  trans34.7140.5166.3-5188.828.100121.1
447G35.7Very low36.9Very low67 Ų67148.5 Ų148.569%0.69178%0.78SS**  cis140.7139.31.300000112
448M37Very low37Very low202 Ų202151.9 Ų151.9100%0.99579%0.787SS**  trans54.2141.5163.9-54.7-63.6-179.700118.9
449G34.8Very low36.8Very low63 Ų63147.5 Ų147.565%0.64979%0.79SS**  cis154.7148.7-1.100000111.4
450R35.9Very low36.9Very low260 Ų260152.3 Ų152.398%0.98180%0.801SS**  trans58.8123.7162.8-58.4-175.2176.8-150.6-1120.3
451G31Very low36.6Very low69 Ų69145.3 Ų145.371%0.71179%0.794SS**  120.5114.2106.700000120.5
452S35Very low36.6Very low118 Ų118150 Ų15083%0.82580%0.799SS**  trans66.9111.6137.7-62.60000122.8
453R41.7Very low36.6Very low243 Ų243155.7 Ų155.792%0.91781%0.807SS**  trans40.2118.2134.3-70.4-178.5172.9163.4-1.8120.4
454P48.4Very low36.3Very low137 Ų137152.9 Ų152.989%0.8981%0.809SS**  trans-88.5171.2165.335.3-32.5000114.6
455Y34.6Very low36.6Very low229 Ų229153.5 Ų153.590%0.89882%0.82SS**  trans-106173.9-164.3-158.8-99.2000113.6
456R33.5Very low36.3Very low204 Ų204154.4 Ų154.477%0.7783%0.83SS**  trans-75.1147.4177.8-72.6174.7165.4-179.8-3.9113.9
457N36Very low35.7Very low158 Ų158156.8 Ų156.885%0.84583%0.833SS**  trans-161.9108.5135.9-103.9-10.2000107.1
458R36.1Very low35.5Very low223 Ų223160.1 Ų160.184%0.84284%0.84SS**  64.785.265.9-169.7173.6-98.1178.5-6.4113.7
459G34.1Very low35.3Very low79 Ų79156.6 Ų156.681%0.81484%0.835SS**  trans-142.4119.5157.300000108.6
460H34.7Very low35Very low197 Ų197156.6 Ų156.691%0.91284%0.835SS**  trans-103.4127.5-168.9-127.2-71.2000110.7
461G33Very low34.6Very low68 Ų68150.2 Ų150.270%0.70183%0.825SS**  trans-160.889.7-17800000116.1
462R40.2Very low34.7Very low225 Ų225153.8 Ų153.885%0.84983%0.828SS**  trans50.4130.1155.6-60.7-169.2179.9-86.12.4121.6
463R35.6Very low34.7Very low234 Ų234151.6 Ų151.688%0.88381%0.813SS**  trans33.8122.4144.5-72-179.6169.6163.8-4.7119.4
464G29.2Very low34.2Very low73 Ų73148.5 Ų148.575%0.75381%0.809SS**  trans-74.8-150.1165.200000113.5
465P43.8Very low33.5Very low143 Ų143146.2 Ų146.293%0.92980%0.801SS**  cis-127.1-176.910.442.7-28.1000114
466G29.2Very low33.5Very low72 Ų72140.2 Ų140.274%0.74279%0.793SS**  trans146140.7158.900000117.2
467Y30.9Very low33.4Very low229 Ų229138.1 Ų138.190%0.89880%0.797SS**  trans-71.1146.9178.7-71.3-108.6000114.6
468T30.8Very low33.2Very low137 Ų137135.6 Ų135.684%0.8480%0.798SS**  162123.9125.943.80000108.6
469S32.5Very low33.1Very low127 Ų127130 Ų13089%0.88879%0.793SS**  76.3130.978.9-160.50000115.3
470G28.7Very low33Very low63 Ų63134.9 Ų134.965%0.64979%0.794SS**  trans112.2142172.600000115
471T28.4Very low33Very low126 Ų126131.7 Ų131.777%0.77379%0.789SS**  cis-167.1155.4-0.132.70000111
472N31.5Very low32.9Very low144 Ų144137 Ų13777%0.7780%0.796SS**  trans70.2152.4146.1-70.724.4000119.7
473S36.4Very low32.6Very low73 Ų73131.9 Ų131.951%0.5179%0.794SS.*  cis-157.3153.79.9-123.90000113.8
474E30.8Very low32.6Very low178 Ų178127.9 Ų127.983%0.83279%0.79SS**  trans54.4137.6142.5-64.5159.6102.600120.5
475A33.9Very low32.7Very low88 Ų88133.5 Ų133.573%0.72780%0.797SS**  cis-167.4150.239.700000115.4
476S34.8Very low32.2Very low104 Ų104136.7 Ų136.773%0.72779%0.79SS**  trans64.6114.9139.9-55.50000124.9
477N30.9Very low32.5Very low160 Ų160138.5 Ų138.586%0.85678%0.783SS**  trans57119.1132.1-62.2-3.1000123.2
478A32.1Very low32.4Very low104 Ų104135.4 Ų135.486%0.8678%0.777SS**  -162.1165112.900000110.1
479S34.5Very low32.5Very low105 Ų105136.1 Ų136.173%0.73478%0.775SS**  trans-123.6164.7-153.8-49.30000115.3
480E32.1Very low32.5Very low182 Ų182136.1 Ų136.185%0.8578%0.775SS**  trans70.7150.5160.6-37.6-170.4162.500116.6
481T34.5Very low32.6Very low131 Ų131139.8 Ų139.880%0.80478%0.779SS**  cis-133.9156.313.937.40000114
482E29.9Very low32.7Very low180 Ų180144.6 Ų144.684%0.84178%0.783SS**  trans-80.4160.6170.8-61163.8123.500112.5
483S34.7Very low32.8Very low116 Ų116141.3 Ų141.381%0.81177%0.771SS**  trans-168.193.7135.914.90000110.7
484D36Very low32.5Very low150 Ų150146.1 Ų146.180%0.80279%0.791SS**  trans-65.6143.6157.9-84.4-47.9000109.9
485H31.1Very low32.5Very low192 Ų192142 Ų14289%0.88979%0.788SS**  trans-129.1112.9149.7-89.5-59.4000110
486R33.5Very low32.8Very low209 Ų209143.4 Ų143.479%0.78979%0.789SS**  trans-108164.9178-153.5-171.4-176.9-133.89.4108.7
487D34.2Very low32.6Very low111 Ų111145.1 Ų145.159%0.59480%0.795SS**  trans111.1114.2149.8-59.2-31.7000119.2
488E29.6Very low32.8Very low164 Ų164146.7 Ų146.777%0.76680%0.797SS**  trans76.8113.1130.5-61.9-168.3158.700124
489L32.5Very low32.8Very low152 Ų152149.8 Ų149.880%0.79679%0.794SS**  trans47.7116.9134.5-73.486.9000121
490S33.3Very low32.9Very low127 Ų127150.7 Ų150.789%0.88879%0.787SS**  trans-144.2127.8130.1-65.50000110
491D30.8Very low33Very low139 Ų139149.7 Ų149.774%0.74378%0.775SS**  trans-77.6157.7175.3-175.414.5000111.1
492W30.4Very low32.8Very low228 Ų228148.2 Ų148.286%0.86476%0.759SS**  trans164.5109.2135.9-97.961.4000112.5
493S32.2Very low32.8Very low74 Ų74145.3 Ų145.352%0.51776%0.759SS.*  trans8692.1130.5-59.10000121.8
494L31.8Very low32.5Very low174 Ų174146 Ų14691%0.91175%0.748SS**  13693114.5-75.6168.6000116.2
495A29.8Very low32.3Very low93 Ų93147.4 Ų147.477%0.76975%0.754SS**  trans-132.1177.9138.700000106.4
496P39.9Very low32.4Very low117 Ų117149.1 Ų149.176%0.7675%0.752SS**  cis-128.5175.3-9.641.6-27.8000113.1
497T31.1Very low32.2Very low140 Ų140151 Ų15186%0.85976%0.76SS**  trans-159.8105.5146.149.60000111.5
498E34.6Very low31.9Very low192 Ų192149 Ų14990%0.89777%0.765SS**  trans-145.4102.2146.3-90-160.6163.800107.6
499E33.2Very low32Very low170 Ų170149.3 Ų149.379%0.79477%0.772SS**  trans-165.5151.1151.7-125-175.9-17900111.8
500E35.2Very low31.8Very low124 Ų124145.1 Ų145.158%0.57977%0.765SS**  trans76.3144.3150.1-64.7-168.3154.400119.1
501R34Very low31.8Very low160 Ų160150.2 Ų150.260%0.60477%0.765SS**  cis-166.4156.94.6-126.2170.9-165.9-146.430.6116.9
502E31.3Very low32Very low101 Ų101155.9 Ų155.947%0.47278%0.776SS.*  trans48.7142.5132.8-82.7162.5-172.600121.6F504E502-F504 HydrophobicContact CB-CE2 4.4Å; E502-F504 HydrophobicContact CG-CD2 4.26Å; E502-F504 HydrophobicContact CG-CE2 3.73Å; E502-F504 HydrophobicContact CG-CZ 4.13Å; E502-F504 WeakPolarHBondContact OE1-CE2 3.36Å; E502-F504 VanDerWaalsContact OE1-CZ 3.23Å; E502-F504 WeakPolarHBondContact OE1-CZ 3.4Å; E502-F504 VanDerWaalsContact OE2-CE2 3.28Å; E502-F504 WeakPolarHBondContact OE2-CE2 3.44Å
503S29Very low32.3Very low119 Ų119157.1 Ų157.183%0.83278%0.781SS**  -158.2135.274.1-67.50000117.7
504F28.6Very low32.2Very low131 Ų131157.4 Ų157.458%0.57580%0.795SS**  trans-22.3153.8163.5-57.6-82.1000121.6E502E502-F504 HydrophobicContact CB-CE2 4.4Å; E502-F504 HydrophobicContact CG-CD2 4.26Å; E502-F504 HydrophobicContact CG-CE2 3.73Å; E502-F504 HydrophobicContact CG-CZ 4.13Å; E502-F504 WeakPolarHBondContact OE1-CE2 3.36Å; E502-F504 VanDerWaalsContact OE1-CZ 3.23Å; E502-F504 WeakPolarHBondContact OE1-CZ 3.4Å; E502-F504 VanDerWaalsContact OE2-CE2 3.28Å; E502-F504 WeakPolarHBondContact OE2-CE2 3.44Å
505L32.9Very low32.3Very low179 Ų179152.8 Ų152.894%0.93779%0.79SS**  -141.5149.1108.8-87.9-175.7000111.9
506R32.4Very low32.5Very low227 Ų227152.6 Ų152.686%0.85780%0.797SS**  trans-104.1159.2179.9-82.6-178.7161.8-159.5-2.4112.3
507R30.2Very low32.2Very low250 Ų250150.3 Ų150.394%0.94380%0.795SS**  122.7138.5123.7-154.5-178.3-150.6-157.87.9117.7
508G27.7Very low32.4Very low68 Ų68156 Ų15670%0.70180%0.8SS**  trans107.4101.3165.300000113
509D30.5Very low32.3Very low170 Ų170150.3 Ų150.391%0.90979%0.794SS**  72.114368.3-165.421.5000113.9
510G28.3Very low32.4Very low64 Ų64151.6 Ų151.666%0.6680%0.8SS**  trans125.574.9168.300000118.2
511R33.6Very low32.2Very low234 Ų234149.5 Ų149.588%0.88381%0.811SS**  trans4.5130142.1-53.7167.8-175.6176.90.4117.7
512R35.6Very low32.2Very low258 Ų258145.7 Ų145.797%0.97482%0.822SS**  -157.2152.5121.3-112168.8-162.9-149.73.8113.9
513R35.6Very low32.5Very low255 Ų255153.2 Ų153.296%0.96285%0.846SS**  trans-130.2138.9-167.3173.4-170.5-172.7179.94.1107.9
514G31.8Very low32.5Very low79 Ų79151 Ų15181%0.81484%0.842SS**  trans141.513116800000112.7
515G33.7Very low32.9Very low78 Ų78157 Ų15780%0.80486%0.861SS**  cis158.9138.4-8.200000113
516G32.5Very low32.8Very low89 Ų89152.2 Ų152.292%0.91885%0.854SS**  trans75.9142.6169.300000115.5
517G34.1Very low32.9Very low69 Ų69145.4 Ų145.471%0.71186%0.855SS**  cis142.9144.7-1000000113.1
518R35.9Very low32.9Very low258 Ų258136.8 Ų136.897%0.97484%0.844SS**  trans63.8132.5167-51.8173179.6176.1-1.8114.8
519G31.7Very low33Very low74 Ų74143.4 Ų143.476%0.76385%0.854SS**  cis11494.99.700000111.8
520Q36Very low33.1Very low197 Ų197145.2 Ų145.292%0.92185%0.853SS**  trans-158.4125158.5-100.9173.86.300104.9
521G31.4Very low33.2Very low80 Ų80145.6 Ų145.683%0.82586%0.858SS**  90.3106.769.400000107.4
522G33.2Very low33Very low80 Ų80141.5 Ų141.583%0.82585%0.853SS**  cis119.795.421.500000108.9
523R37.6Very low32.9Very low258 Ų258136.4 Ų136.497%0.97485%0.846SS**  trans-152.3106.8165.8-100.8176-168.9-163.92.2108.7
524G29.4Very low32.9Very low73 Ų73131 Ų13175%0.75384%0.836SS**  trans-93.8156.5174.200000112.4
525R36.2Very low33.2Very low258 Ų258136.1 Ų136.197%0.97484%0.838SS**  trans167.3123155.6-96.4172.7-172.5-151.42.9105
526G32.1Very low33.1Very low77 Ų77136.7 Ų136.779%0.79483%0.83SS**  cis144115.1-0.400000109.8
527G32.9Very low33.1Very low84 Ų84143 Ų14387%0.86683%0.826SS**  trans78.2118.2158.600000118.9
528G30.6Very low33Very low70 Ų70145.3 Ų145.372%0.72283%0.826SS**  106.7104.4110.200000119.3
529F30.3Very low32.8Very low206 Ų206139.4 Ų139.490%0.90481%0.814SS**  38.2109.6127.5-92.2-94.1000119.9
530K33.2Very low32.7Very low208 Ų208142.4 Ų142.490%0.90481%0.813SS**  169.1156.4109.6-101.4-177.8171.4-177.40112
531G30.3Very low32.7Very low73 Ų73144.4 Ų144.475%0.75381%0.812SS**  trans123.6107.1147.600000115.3
532N29.9Very low33.4Very low148 Ų148146 Ų14679%0.79181%0.808SS**  trans-59.2156.1152.4-65.3-3.5000109.5
533D32.3Very low33.4Very low151 Ų151153.6 Ų153.681%0.80781%0.811SS**  -171147.394.1-90.3-31.9000112
534D35.4Very low33.1Very low142 Ų142148 Ų14876%0.75980%0.801SS**  trans-51.2151.7160.8-86.3-80.3000110.7
535H37.8Very low33.9Very low186 Ų186150.3 Ų150.386%0.86180%0.802SS**  -169156.1112.4-102.366000111.9
536S32.4Very low34Very low90 Ų90148.1 Ų148.163%0.62979%0.794SS**  trans-98.3168.5-165.169.30000114.5
537R33Very low34.2Very low221 Ų221150.2 Ų150.283%0.83478%0.783SS**  trans90.4135147.6-76.8174.2178-178.80.4121.4
538T31.3Very low34.1Very low117 Ų117151.2 Ų151.272%0.71878%0.783SS**  trans77.511513850.20000121.9
539D30.9Very low34.5Very low135 Ų135156.8 Ų156.872%0.72279%0.788SS**  102.3136.7116.4-89.9-12.2000124.2
540N30.3Very low34.6Very low137 Ų137150.8 Ų150.873%0.73378%0.784SS**  trans75.6112.7143.6-69.4-40.4000123
541R35.7Very low34.6Very low238 Ų238152.1 Ų152.190%0.89878%0.784SS**  trans-38.3149.6142.1-85.2178.2170.1179.2-2.4112.7
542P46Very low34.7Very low115 Ų115154.5 Ų154.575%0.74778%0.784SS**  -145.9-165.680.140.4-20.4000112.5
543R33.1Very low34.9Very low238 Ų238153.8 Ų153.890%0.89879%0.785SS**  cis-159.5163.811.6-150.6167.5-169.3165.11.9111.1
544N33Very low34.9Very low142 Ų142154.6 Ų154.676%0.75979%0.789SS**  trans-75.7166174.6-12921.2000113.5
545P45.7Very low34.7Very low120 Ų120151.5 Ų151.578%0.77979%0.791SS**  trans-130.3161.7142.637.1-26.4000116.5
546R37Very low34.4Very low213 Ų213147.4 Ų147.480%0.80478%0.783SS**  trans-137.3167.2179.2-90.3-179164-15013.3107
547E36.1Very low34.5Very low120 Ų120150.1 Ų150.156%0.56179%0.79SS**  cis-158.2153.82-135.3178.1-94.600108.1
548A32.5Very low34.4Very low105 Ų105146.9 Ų146.987%0.86879%0.785SS**  trans-151.5145158.400000112.5
549K38.6Very low34.3Very low187 Ų187148.2 Ų148.281%0.81379%0.787SS**  trans-112.1155-160.8-69.4170174.4168.50114.4
550G32.5Very low34.3Very low81 Ų81147.7 Ų147.784%0.83579%0.789SS**  trans-143.4144.2154.200000109.1
551R33.8Very low34.3Very low235 Ų235146.3 Ų146.389%0.88779%0.79SS**  trans-134155.8-165.9-165.3-170.2-174.2-171.32.4112.3
552T32.5Very low34.2Very low123 Ų123140.9 Ų140.976%0.75579%0.789SS**  trans93.9141.9163.476.10000115
553T33.2Very low33.5Very low134 Ų134145 Ų14582%0.82280%0.798SS**  cis-137.9169.211.644.20000113.4
554D32.5Very low33.3Very low167 Ų167137.4 Ų137.489%0.89379%0.794SS**  trans-64.1160.6178.8-84.3-69.2000117.6
555G30Very low33.3Very low78 Ų78136.6 Ų136.680%0.80480%0.799SS**  trans-174.383.8169.200000111.4
556S33.3Very low32.7Very low99 Ų99142.3 Ų142.369%0.69281%0.805SS**  trans-84.1146.7-170.5-1790000114.5
557L32.8Very low32.5Very low148 Ų148140.6 Ų140.678%0.77581%0.811SS**  trans16998134.5-88.7165.3000108.6
558Q32.5Very low32.4Very low153 Ų153146.1 Ų146.172%0.71583%0.827SS**  73112.898.4-77.2-172.3-13.200116.8
559N28.3Very low32.3Very low145 Ų145148.2 Ų148.278%0.77583%0.829SS**  trans44.7134.3130.1-60.7-6.4000119.3
560T30.6Very low31.9Very low123 Ų123142.9 Ų142.976%0.75583%0.827SS**  -149.3120.657.745.80000111.6
561S30.4Very low32Very low108 Ų108148.1 Ų148.176%0.75583%0.827SS**  62.7105.588.574.90000117.5
562S32.9Very low31.9Very low125 Ų125143.1 Ų143.187%0.87482%0.818SS**  trans-160.2118.713552.70000110.9
563E31.2Very low31.9Very low202 Ų202148.6 Ų148.694%0.94483%0.825SS**  trans-81.1160.4173.7-62.3177.611000111.1
564G30.2Very low31.8Very low78 Ų78149.4 Ų149.480%0.80482%0.824SS**  trans-171.986.7178.100000113.2
565S31.9Very low32Very low125 Ų125150.6 Ų150.687%0.87482%0.824SS**  trans-62.3151.5-168.7-84.30000117.3
566R33.6Very low32.1Very low239 Ų239156.4 Ų156.490%0.90283%0.827SS**  trans-43.1147.9159.6-55.6161.5175.5165-1.7113.1
567L33.5Very low32.3Very low177 Ų177161.2 Ų161.293%0.92784%0.835SS**  trans-147.6147.2135.1-97.1179000111.1
568R33Very low32.3Very low237 Ų237163.6 Ų163.689%0.89484%0.843SS**  trans-131.6122.4175.1-107.5-170.1176.5-171.6-0.4107.5
569T31.6Very low32.5Very low149 Ų149165.2 Ų165.291%0.91485%0.848SS**  trans166150.2158.4340000105.7
570G30.3Very low32.8Very low75 Ų75164.2 Ų164.277%0.77385%0.849SS**  cis-168.5-173.62.800000108.8
571K33.2Very low32.9Very low190 Ų190165.8 Ų165.883%0.82685%0.852SS**  trans-94.3144.6-171.6-154.9-173.5179.9-173.90111
572D32.5Very low33.1Very low131 Ų131166.3 Ų166.370%0.70186%0.856SS**  142.7153125.6-81.9-50.2000118.4
573R32.9Very low33.2Very low238 Ų238167.4 Ų167.490%0.89886%0.858SS**  trans74.383.2159.9-75.9176.3176.2-173-2.7121.7
574N31.4Very low33.3Very low150 Ų150165.3 Ų165.380%0.80285%0.853SS**  -7.7132.2126.4-16725.2000118.4
575Q35.3Very low33.4Very low193 Ų193164.5 Ų164.590%0.90285%0.845SS**  trans-153.6168.7141.8-118.1-175.787.400112.7
576K33.6Very low33.5Very low200 Ų200168.2 Ų168.287%0.8785%0.848SS**  trans-83.8160.7-151.2-79.1173.4171.5174.90116.5
577K35.8Very low33.7Very low199 Ų199165.5 Ų165.587%0.86585%0.846SS**  trans-64.8145160.3-64.2172.3171.7179.30111.8
578E33.7Very low34.5Very low198 Ų198162.2 Ų162.293%0.92584%0.835SS**  trans-130.3166.4142.5-74.1-160.713700110.3
579K36Very low34.7Very low188 Ų188158.5 Ų158.582%0.81783%0.832SS**  trans-87159.7-166.4-65.8174.5176.3177.50112.9
580P35.4Very low35.1Very low124 Ų124156.7 Ų156.781%0.80582%0.82SS**  trans-85.1134.6155.434.4-28.4000110.4
581D33.5Very low35.4Very low155 Ų155161 Ų16183%0.82983%0.825SS**  trans-109.4134.1162.8-86.5-36.8000109.8
582S33.6Very low35.4Very low120 Ų120155.8 Ų155.884%0.83983%0.826SS**  trans-80.7139.6174.9-540000110.7
583V35.3Very low35.9Very low148 Ų148156.4 Ų156.490%0.89783%0.834SS**  trans-136.5129.3153.4-173.10000109.3
584D33.6Very low37.2Very low158 Ų158154.4 Ų154.485%0.84585%0.852SS**  trans-95.2154.1-178.6-139.7-30.3000111.2
585G31.8Very low37.5Very low61 Ų61154.7 Ų154.763%0.62986%0.855SS**  trans65.9113.7155.600000120.7
586Q34.3Very low37.6Very low202 Ų202152.6 Ų152.694%0.94485%0.852SS**  -174.4129.998.9-98.6175.89.200113.2
587Q38.1Very low37.8Very low183 Ų183150 Ų15086%0.85585%0.851SS**  trans-82.4157.7158.9-106.4-175.513.400108.9
588P49.5Very low37.9Very low108 Ų108147.1 Ų147.170%0.70185%0.85SS**  -154-175.373.339.2-17.4000117.6
589L37.1Very low38.2Very low159 Ų159143.9 Ų143.983%0.83285%0.846SS**  trans82.5136.5168.4-54.1165.9000116.2
590V40.4Very low38.3Very low110 Ų110141 Ų14167%0.66785%0.848SS**  cis160.8142.7-25.8145.70000105.8
591N36.9Very low38.5Very low165 Ų165142.2 Ų142.288%0.88285%0.851SS**  trans80.2127.7173.4-64.3-20.9000119.7
592G33.2Very low38.9Very low81 Ų81141.2 Ų141.284%0.83585%0.852SS**  trans159.971.4171.500000114
593V43.1Very low39.4Very low144 Ų144143 Ų14387%0.87385%0.853SS**  trans-125.4146.6174.6163.40000105.9
594P59Low39.7Very low197 Ų197142.5 Ų142.5100%1.27985%0.849SS**  cis-114.7025.420.81.5000117.4

Retrieved 594 of 594 residues in 725.2 ms (Link to these results)

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