C4QJ46_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB (A0A5K4EH92), UniProt , Accession C4QJ46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 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
1M92.7Very high97.3Very high68 Ų6834.7 Ų34.734%0.33519%0.189SC..  0132.90178.7-156.3-71.600105.5W9 L10 L22 I27 L83M1-W9 HydrophobicContact CG-CB 4.09Å; M1-W9 HydrophobicContact CG-CE3 3.84Å; M1-W9 HydrophobicContact SD-CB 3.91Å; M1-W9 HydrophobicContact SD-CD2 4.06Å; M1-W9 HydrophobicContact SD-CE3 3.58Å; M1-W9 VanDerWaalsContact SD-CE3 3.58Å; M1-W9 HydrophobicContact SD-CG 4.24Å; M1-W9 HydrophobicContact SD-CZ3 4.4Å; M1-L10 CarbonylContact C-O 3.55Å; M1-L10 VanDerWaalsContact CA-O 3.26Å; M1-L10 WeakPolarHBondContact CA-O 3.39Å; M1-L10 WeakPolarHBondContact CG-O 3.42Å; M1-L22 HydrophobicContact CE-CD2 3.15Å; M1-L22 HydrophobicContact SD-CD2 4.33Å; M1-I27 HydrophobicContact CE-CD1 3.91Å; M1-I27 HydrophobicContact SD-CD1 3.38Å; M1-I27 WeakPolarHBondContact SD-CD1 3.22Å; M1-L83 HydrophobicContact CE-CB 4.27Å; M1-L83 HydrophobicContact CE-CD1 3.34Å; M1-L83 HydrophobicContact CE-CD2 3.44Å; M1-L83 VanDerWaalsContact CE-CD2 3.44Å; M1-L83 HydrophobicContact CE-CG 3.82Å; M1-L83 HydrophobicContact CG-CD1 3.69Å; M1-L83 HydrophobicContact SD-CD1 3.83Å
2D97.3Very high97.1Very high50 Ų5034.3 Ų34.327%0.26719%0.189SC..EExtended strand (participates in β ladder)trans-133.2130.8-164.8-50.1-69000109I4 W9 L10 R120D2-I4 HydrophobicContact CB-CD1 4.49Å; D2-I4 PolarHBondContact O-N 3.2Å; D2-W9 WeakPolarHBondContact O-CA 3.3Å; D2-L10 PolarHBondContact N-O 3.5Å; D2-L10 PolarHBondContact O-N 3.01Å; D2-R120 HydrophobicContact CB-CB 4.25Å; D2-R120 VanDerWaalsContact OD2-CD 3.3Å; D2-R120 WeakPolarHBondContact OD2-CD 3.26Å; D2-R120 WeakPolarHBondContact OD2-CG 3.34Å; D2-R120 IonicContact OD2-CZ 3.71Å; D2-R120 IonicContact OD2-NE 3.12Å; D2-R120 IonicContact OD2-NH1 3.32Å; D2-R120 PolarHBondContact OD2-NH1 3.43Å
3E97.9Very high97.1Very high76 Ų7637.3 Ų37.336%0.35520%0.203SC..EExtended strand (participates in β ladder)trans-76.1117.6173.7-168.3172.4-147.100109.3I5 P6 G7 W9E3-I5 VanDerWaalsContact CG-O 3.29Å; E3-I5 WeakPolarHBondContact CG-O 3.43Å; E3-P6 WeakPolarHBondContact OE1-CA 3.21Å; E3-G7 PolarHBondContact OE1-N 3.39Å; E3-W9 HydrophobicContact CB-CD2 3.83Å; E3-W9 HydrophobicContact CB-CE3 3.93Å; E3-W9 HydrophobicContact CB-CH2 3.88Å; E3-W9 HydrophobicContact CB-CZ2 3.74Å; E3-W9 HydrophobicContact CB-CZ3 3.98Å; E3-W9 HydrophobicContact CG-CD2 4.23Å; E3-W9 HydrophobicContact CG-CZ2 4.04Å
4I98.4Very high97Very high8 Ų835.1 Ų35.14%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-86-48.9-175.5-57.1-54.2000110D2 L8 L10 V97 L101 V116 K119D2-I4 HydrophobicContact CB-CD1 4.49Å; D2-I4 PolarHBondContact O-N 3.2Å; I4-L8 PolarHBondContact N-O 3.06Å; I4-L10 HydrophobicContact CD1-CB 4.02Å; I4-L10 HydrophobicContact CD1-CD2 4.32Å; I4-L10 HydrophobicContact CG1-CB 3.74Å; I4-V97 HydrophobicContact CB-CG1 4.43Å; I4-V97 HydrophobicContact CG1-CG1 4.13Å; I4-V97 HydrophobicContact CG2-CG1 4.15Å; I4-L101 HydrophobicContact CG2-CD1 3.92Å; I4-V116 HydrophobicContact CD1-CG1 3.97Å; I4-V116 HydrophobicContact CG1-CG1 4.46Å; I4-V116 HydrophobicContact CG2-CG2 4.02Å; I4-K119 HydrophobicContact CD1-CB 3.58Å; I4-K119 HydrophobicContact CD1-CG 4.26Å
5I96.9Very high96.8Very high33 Ų3339.6 Ų39.617%0.16921%0.208CC..EExtended strand (participates in β ladder)trans-138.5162.3169.360.7168.8000107.9E3 G7 L8 Y100 L101E3-I5 VanDerWaalsContact CG-O 3.29Å; E3-I5 WeakPolarHBondContact CG-O 3.43Å; I5-G7 PolarHBondContact O-N 2.84Å; I5-G7 VanDerWaalsContact O-N 3.08Å; I5-L8 HydrophobicContact CD1-CB 4.31Å; I5-L8 HydrophobicContact CD1-CD2 4.17Å; I5-L8 HydrophobicContact CG1-CB 3.59Å; I5-L8 HydrophobicContact CG1-CD2 4Å; I5-L8 HydrophobicContact CG1-CG 4.4Å; I5-L8 PolarHBondContact O-N 2.9Å; I5-Y100 HydrophobicContact CD1-CE1 4.12Å; I5-L101 HydrophobicContact CD1-CD2 3.79Å; I5-L101 HydrophobicContact CG1-CD2 4.29Å; I5-L101 HydrophobicContact CG2-CD2 3.94Å
6P96.4Very high96.7Very high114 Ų11440 Ų4074%0.7422%0.219SC*.THydrogen-bonded Turntrans-48.4120.2-179.9-30.236.9000112.4E3 L8E3-P6 WeakPolarHBondContact OE1-CA 3.21Å; P6-L8 VanDerWaalsContact C-N 3.34Å; P6-L8 PolarHBondContact O-N 3.41Å
7G97.5Very high96.6Very high7 Ų746.2 Ų46.27%0.07225%0.246CC..THydrogen-bonded Turntrans83.4-7.7179.100000116.5E3 I5 N81 I82E3-G7 PolarHBondContact OE1-N 3.39Å; I5-G7 PolarHBondContact O-N 2.84Å; I5-G7 VanDerWaalsContact O-N 3.08Å; G7-N81 VanDerWaalsContact CA-OD1 3.3Å; G7-N81 WeakPolarHBondContact CA-OD1 3.41Å; G7-N81 CarbonylContact O-C 3.46Å; G7-N81 VanDerWaalsContact O-CA 3.31Å; G7-N81 WeakPolarHBondContact O-CA 3.24Å; G7-I82 PolarHBondContact O-N 3.05Å
8L98.6Very high96.5Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-111.2111.2177.8-177.959.8000111.4I4 I5 P6 I72 I76 I82 V84 V97 Y100I4-L8 PolarHBondContact N-O 3.06Å; I5-L8 HydrophobicContact CD1-CB 4.31Å; I5-L8 HydrophobicContact CD1-CD2 4.17Å; I5-L8 HydrophobicContact CG1-CB 3.59Å; I5-L8 HydrophobicContact CG1-CD2 4Å; I5-L8 HydrophobicContact CG1-CG 4.4Å; I5-L8 PolarHBondContact O-N 2.9Å; P6-L8 VanDerWaalsContact C-N 3.34Å; P6-L8 PolarHBondContact O-N 3.41Å; L8-I72 HydrophobicContact CD1-CG2 3.79Å; L8-I76 HydrophobicContact CB-CD1 4.21Å; L8-I82 HydrophobicContact CD1-CG2 3.81Å; L8-V84 HydrophobicContact CD1-CG2 3.79Å; L8-V97 HydrophobicContact CD2-CG1 4.16Å; L8-Y100 HydrophobicContact CD2-CD1 3.46Å; L8-Y100 VanDerWaalsContact CD2-CD1 3.46Å; L8-Y100 HydrophobicContact CD2-CE1 3.94Å; L8-Y100 HydrophobicContact CD2-CG 4.29Å
9W98.7Very high96.5Very high26 Ų2646.5 Ų46.510%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-109.4139-177.7-64.772.6000111.2M1 D2 E3 N25 I27 I82 L83 V84M1-W9 HydrophobicContact CG-CB 4.09Å; M1-W9 HydrophobicContact CG-CE3 3.84Å; M1-W9 HydrophobicContact SD-CB 3.91Å; M1-W9 HydrophobicContact SD-CD2 4.06Å; M1-W9 HydrophobicContact SD-CE3 3.58Å; M1-W9 VanDerWaalsContact SD-CE3 3.58Å; M1-W9 HydrophobicContact SD-CG 4.24Å; M1-W9 HydrophobicContact SD-CZ3 4.4Å; D2-W9 WeakPolarHBondContact O-CA 3.3Å; E3-W9 HydrophobicContact CB-CD2 3.83Å; E3-W9 HydrophobicContact CB-CE3 3.93Å; E3-W9 HydrophobicContact CB-CH2 3.88Å; E3-W9 HydrophobicContact CB-CZ2 3.74Å; E3-W9 HydrophobicContact CB-CZ3 3.98Å; E3-W9 HydrophobicContact CG-CD2 4.23Å; E3-W9 HydrophobicContact CG-CZ2 4.04Å; W9-N25 HydrophobicContact CH2-CB 3.87Å; W9-N25 VanDerWaalsContact CH2-CG 3.45Å; W9-N25 WeakPolarHBondContact CH2-OD1 3.33Å; W9-N25 HydrophobicContact CZ2-CB 3.71Å; W9-N25 HydrophobicContact CZ3-CB 4.46Å; W9-I27 HydrophobicContact CB-CD1 4.2Å; W9-I27 HydrophobicContact CD2-CD1 4.13Å; W9-I27 HydrophobicContact CG-CD1 3.92Å; W9-I27 HydrophobicContact CG-CG1 4.28Å; W9-I82 WeakPolarHBondContact CB-O 3.35Å; W9-I82 PolarHBondContact N-O 2.95Å; W9-L83 HydrophobicContact CB-CD1 4.26Å; W9-V84 PolarHBondContact O-N 3.19Å
10L98.7Very high96.5Very high0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-117.1135175.7175.460.4000110M1 D2 I4 V84 S93 A94 V97 V116 I122M1-L10 CarbonylContact C-O 3.55Å; M1-L10 VanDerWaalsContact CA-O 3.26Å; M1-L10 WeakPolarHBondContact CA-O 3.39Å; M1-L10 WeakPolarHBondContact CG-O 3.42Å; D2-L10 PolarHBondContact N-O 3.5Å; D2-L10 PolarHBondContact O-N 3.01Å; I4-L10 HydrophobicContact CD1-CB 4.02Å; I4-L10 HydrophobicContact CD1-CD2 4.32Å; I4-L10 HydrophobicContact CG1-CB 3.74Å; L10-V84 WeakPolarHBondContact CA-O 3.19Å; L10-S93 VanDerWaalsContact CD1-OG 3.25Å; L10-S93 WeakPolarHBondContact CD1-OG 3.47Å; L10-A94 HydrophobicContact CD2-CB 4.09Å; L10-V97 HydrophobicContact CB-CG2 4.32Å; L10-V97 HydrophobicContact CD1-CG2 4.02Å; L10-V116 HydrophobicContact CD2-CG1 3.57Å; L10-I122 HydrophobicContact CD2-CG2 4.06Å
11G96.7Very high96.5Very high0 Ų048.1 Ų48.10%026%0.264CS..EExtended strand (participates in β ladder)trans-164.7176.3-179.900000116.5V84 H85 G89G11-V84 PolarHBondContact N-O 2.88Å; G11-H85 VanDerWaalsContact O-CA 3.31Å; G11-H85 WeakPolarHBondContact O-CA 3.46Å; G11-H85 VanDerWaalsContact O-CB 3.28Å; G11-H85 WeakPolarHBondContact O-CB 3.03Å; G11-G89 WeakPolarHBondContact O-CA 3.45Å; G11-G89 PolarHBondContact O-N 3.45Å
12P95.9Very high96.8Very high30 Ų3045 Ų4520%0.19525%0.248CC..SBendtrans-73.9176.8168.236-34.3000110.5P14 C86 A87P12-P14 WeakPolarHBondContact O-CD 3.17Å; P12-C86 CarbonylContact C-O 3.57Å; P12-C86 WeakPolarHBondContact CA-O 3.28Å; P12-A87 WeakPolarHBondContact CA-O 3.41Å; P12-A87 VanDerWaalsContact CB-O 3.32Å; P12-A87 WeakPolarHBondContact CB-O 3.47Å
13M96Very high96.7Very high73 Ų7348.9 Ų48.936%0.3626%0.263SS..  trans-60.5123.2177.9-175.3174.67000109.9F15 L38 C86 A87M13-F15 HydrophobicContact CE-CE1 3.76Å; M13-F15 HydrophobicContact CE-CZ 3.97Å; M13-L38 HydrophobicContact CG-CD2 3.82Å; M13-L38 HydrophobicContact SD-CD2 4.4Å; M13-C86 PolarHBondContact N-O 2.9Å; M13-A87 PolarHBondContact N-O 3.17Å
14P96.1Very high96.7Very high7 Ų754.1 Ų54.15%0.04528%0.279CS..  trans-74.4150.2174.931.7-35.1000110.9P12 N18 L22 L38 F43 L83P12-P14 WeakPolarHBondContact O-CD 3.17Å; P14-N18 HydrophobicContact CB-CB 4.22Å; P14-L22 HydrophobicContact CB-CD1 4.31Å; P14-L38 HydrophobicContact CG-CD1 3.85Å; P14-L38 HydrophobicContact CG-CD2 4.27Å; P14-F43 HydrophobicContact CB-CE1 3.89Å; P14-F43 HydrophobicContact CB-CZ 3.95Å; P14-F43 HydrophobicContact CG-CE1 3.84Å; P14-F43 HydrophobicContact CG-CZ 3.87Å; P14-F43 WeakPolarHBondContact O-CZ 3.5Å; P14-L83 HydrophobicContact CB-CD2 4.48Å; P14-L83 HydrophobicContact CG-CD2 4Å
15F94.6Very high96.6Very high102 Ų10256.1 Ų56.145%0.44729%0.29SS..  trans-110.1172.1170.1-57.7-82.6000110.9M13 E17 N18M13-F15 HydrophobicContact CE-CE1 3.76Å; M13-F15 HydrophobicContact CE-CZ 3.97Å; F15-E17 WeakPolarHBondContact CB-OE2 3.23Å; F15-E17 PolarHBondContact O-N 3.25Å; F15-N18 PolarHBondContact N-OD1 2.95Å; F15-N18 WeakPolarHBondContact O-CB 3.45Å; F15-N18 PolarHBondContact O-N 2.89Å
16A94.4Very high96.6Very high46 Ų4656.3 Ų56.338%0.3830%0.3SS..G310 helixtrans-54.4-37.1-178.300000112.5N18 I19 I42A16-N18 PolarHBondContact O-N 3.07Å; A16-I19 WeakPolarHBondContact O-CB 3.34Å; A16-I19 WeakPolarHBondContact O-CD1 3.18Å; A16-I19 VanDerWaalsContact O-CG1 3.25Å; A16-I19 WeakPolarHBondContact O-CG1 3.01Å; A16-I19 PolarHBondContact O-N 3.4Å; A16-I42 HydrophobicContact CB-CG2 3.61Å
17E94.6Very high96.7Very high145 Ų14551 Ų5168%0.67827%0.265SS*.G310 helixtrans-65.1-24179.1-57.376.8-168.200112.2F15 I19F15-E17 WeakPolarHBondContact CB-OE2 3.23Å; F15-E17 PolarHBondContact O-N 3.25Å; E17-I19 VanDerWaalsContact C-N 3.34Å
18N95.2Very high96.7Very high61 Ų6154.5 Ų54.533%0.32628%0.282SS..G310 helixtrans-80.9-11.7-179.1-55.1135.1000113.3P14 F15 A16 S20 V21 L22P14-N18 HydrophobicContact CB-CB 4.22Å; F15-N18 PolarHBondContact N-OD1 2.95Å; F15-N18 WeakPolarHBondContact O-CB 3.45Å; F15-N18 PolarHBondContact O-N 2.89Å; A16-N18 PolarHBondContact O-N 3.07Å; N18-S20 PolarHBondContact O-N 3.03Å; N18-V21 WeakPolarHBondContact O-CA 3.49Å; N18-V21 WeakPolarHBondContact O-CB 3.26Å; N18-V21 PolarHBondContact O-N 3.48Å; N18-L22 WeakPolarHBondContact O-CG 3.49Å; N18-L22 PolarHBondContact O-N 2.89Å
19I97.2Very high96.7Very high38 Ų3854.6 Ų54.620%0.19528%0.282CS..Hα-helixtrans-53.7-41.2-177.8-68.4169.6000112A16 E17 V21 L22 K23 I42 F43 F46A16-I19 WeakPolarHBondContact O-CB 3.34Å; A16-I19 WeakPolarHBondContact O-CD1 3.18Å; A16-I19 VanDerWaalsContact O-CG1 3.25Å; A16-I19 WeakPolarHBondContact O-CG1 3.01Å; A16-I19 PolarHBondContact O-N 3.4Å; E17-I19 VanDerWaalsContact C-N 3.34Å; I19-V21 VanDerWaalsContact C-N 3.31Å; I19-V21 PolarHBondContact O-N 3.01Å; I19-L22 PolarHBondContact O-N 3.31Å; I19-K23 HydrophobicContact CG2-CD 4.2Å; I19-K23 WeakPolarHBondContact O-CG 3.43Å; I19-K23 PolarHBondContact O-N 2.97Å; I19-I42 HydrophobicContact CD1-CG2 4.04Å; I19-I42 WeakPolarHBondContact CD1-O 3.34Å; I19-F43 HydrophobicContact CG1-CD1 4.25Å; I19-F43 HydrophobicContact CG1-CE1 4.12Å; I19-F46 HydrophobicContact CG1-CE2 4.49Å; I19-F46 HydrophobicContact CG2-CE2 4.2Å; I19-F46 HydrophobicContact CG2-CZ 4.36Å
20S96.6Very high96.7Very high69 Ų6953.3 Ų53.348%0.48328%0.278SS..Hα-helixtrans-63.5-37178.9640000112.6N18 R24N18-S20 PolarHBondContact O-N 3.03Å; S20-R24 VanDerWaalsContact O-CB 3.32Å; S20-R24 WeakPolarHBondContact O-CB 3.46Å; S20-R24 PolarHBondContact O-N 3.29Å
21V96.8Very high96.7Very high58 Ų5853.3 Ų53.335%0.35228%0.278SS..Hα-helixtrans-73.5-39.4177.4178.60000110.8N18 I19 R24 N25N18-V21 WeakPolarHBondContact O-CA 3.49Å; N18-V21 WeakPolarHBondContact O-CB 3.26Å; N18-V21 PolarHBondContact O-N 3.48Å; I19-V21 VanDerWaalsContact C-N 3.31Å; I19-V21 PolarHBondContact O-N 3.01Å; V21-R24 PolarHBondContact O-N 3.48Å; V21-N25 PolarHBondContact O-N 3.34Å; V21-N25 VanDerWaalsContact O-N 3.12Å; V21-N25 PolarHBondContact O-ND2 3.4Å
22L98Very high96.8Very high1 Ų153.5 Ų53.51%0.00528%0.279CS..Hα-helixtrans-57.4-53.3174.4-64.5177.6000110.9M1 P14 N18 I19 R24 N25 G26 I27 I30 F43 F46 L83M1-L22 HydrophobicContact CE-CD2 3.15Å; M1-L22 HydrophobicContact SD-CD2 4.33Å; P14-L22 HydrophobicContact CB-CD1 4.31Å; N18-L22 WeakPolarHBondContact O-CG 3.49Å; N18-L22 PolarHBondContact O-N 2.89Å; I19-L22 PolarHBondContact O-N 3.31Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 3.21Å; L22-N25 CarbonylContact O-C 3.59Å; L22-N25 PolarHBondContact O-N 3.26Å; L22-G26 PolarHBondContact O-N 2.95Å; L22-I27 HydrophobicContact CB-CB 4.35Å; L22-I27 HydrophobicContact CD2-CD1 3.83Å; L22-I27 HydrophobicContact CD2-CG2 4.42Å; L22-I27 WeakPolarHBondContact O-CB 3.12Å; L22-I27 PolarHBondContact O-N 3.2Å; L22-I30 HydrophobicContact CD1-CD1 4.04Å; L22-F43 HydrophobicContact CD1-CD1 4.26Å; L22-F43 HydrophobicContact CD1-CE1 4Å; L22-F46 HydrophobicContact CB-CE1 3.8Å; L22-F46 HydrophobicContact CB-CZ 3.73Å; L22-F46 HydrophobicContact CD1-CE1 4.05Å; L22-F46 HydrophobicContact CD1-CE2 4.37Å; L22-F46 HydrophobicContact CD1-CZ 3.77Å; L22-F46 HydrophobicContact CG-CZ 4.4Å; L22-L83 HydrophobicContact CD2-CD2 4Å
23K96.7Very high96.9Very high133 Ų13352.1 Ų52.158%0.57827%0.27SS*.Hα-helixtrans-62.8-39.4179.9-69.8-177.6178.1-177.80112.5I19 N25 G26 F46I19-K23 HydrophobicContact CG2-CD 4.2Å; I19-K23 WeakPolarHBondContact O-CG 3.43Å; I19-K23 PolarHBondContact O-N 2.97Å; K23-N25 VanDerWaalsContact C-N 3.26Å; K23-N25 PolarHBondContact O-N 2.7Å; K23-G26 PolarHBondContact O-N 3.23Å; K23-F46 HydrophobicContact CG-CZ 4.13Å
24R97.1Very high97Very high185 Ų18549.4 Ų49.470%0.69826%0.257SS*.Hα-helixtrans-61.8-34.7177.1-171.6-175.7-58.4135.54.9112.5S20 V21 L22 G26S20-R24 VanDerWaalsContact O-CB 3.32Å; S20-R24 WeakPolarHBondContact O-CB 3.46Å; S20-R24 PolarHBondContact O-N 3.29Å; V21-R24 PolarHBondContact O-N 3.48Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 3.21Å; R24-G26 PolarHBondContact O-N 3.46Å
25N97Very high97Very high50 Ų5053.3 Ų53.327%0.26728%0.276SS..THydrogen-bonded Turntrans-85.912.9175.1-69.2-62.1000112.8W9 V21 L22 K23 I27 N81W9-N25 HydrophobicContact CH2-CB 3.87Å; W9-N25 VanDerWaalsContact CH2-CG 3.45Å; W9-N25 WeakPolarHBondContact CH2-OD1 3.33Å; W9-N25 HydrophobicContact CZ2-CB 3.71Å; W9-N25 HydrophobicContact CZ3-CB 4.46Å; V21-N25 PolarHBondContact O-N 3.34Å; V21-N25 VanDerWaalsContact O-N 3.12Å; V21-N25 PolarHBondContact O-ND2 3.4Å; L22-N25 CarbonylContact O-C 3.59Å; L22-N25 PolarHBondContact O-N 3.26Å; K23-N25 VanDerWaalsContact C-N 3.26Å; K23-N25 PolarHBondContact O-N 2.7Å; N25-I27 HydrophobicContact CB-CD1 4.2Å; N25-I27 HydrophobicContact CB-CG1 4.31Å; N25-I27 PolarHBondContact O-N 2.88Å; N25-I27 VanDerWaalsContact O-N 3.17Å; N25-N81 PolarHBondContact O-ND2 3.26Å
26G96.5Very high97.1Very high37 Ų3754.3 Ų54.338%0.38129%0.286SS..THydrogen-bonded Turntrans66.913.4178.500000114.6L22 K23 R24 I28 N81L22-G26 PolarHBondContact O-N 2.95Å; K23-G26 PolarHBondContact O-N 3.23Å; R24-G26 PolarHBondContact O-N 3.46Å; G26-I28 PolarHBondContact O-N 3.45Å; G26-N81 WeakPolarHBondContact O-CB 3.19Å
27I98.2Very high97.2Very high2 Ų255.9 Ų55.91%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-69.6123.4-179.8-64.6165.1000108.3M1 W9 L22 N25 S29 I30 F46 N81 L83M1-I27 HydrophobicContact CE-CD1 3.91Å; M1-I27 HydrophobicContact SD-CD1 3.38Å; M1-I27 WeakPolarHBondContact SD-CD1 3.22Å; W9-I27 HydrophobicContact CB-CD1 4.2Å; W9-I27 HydrophobicContact CD2-CD1 4.13Å; W9-I27 HydrophobicContact CG-CD1 3.92Å; W9-I27 HydrophobicContact CG-CG1 4.28Å; L22-I27 HydrophobicContact CB-CB 4.35Å; L22-I27 HydrophobicContact CD2-CD1 3.83Å; L22-I27 HydrophobicContact CD2-CG2 4.42Å; L22-I27 WeakPolarHBondContact O-CB 3.12Å; L22-I27 PolarHBondContact O-N 3.2Å; N25-I27 HydrophobicContact CB-CD1 4.2Å; N25-I27 HydrophobicContact CB-CG1 4.31Å; N25-I27 PolarHBondContact O-N 2.88Å; N25-I27 VanDerWaalsContact O-N 3.17Å; I27-S29 WeakPolarHBondContact CG2-O 3.38Å; I27-I30 HydrophobicContact CG2-CG1 4.44Å; I27-F46 HydrophobicContact CG2-CE1 4.48Å; I27-F46 VanDerWaalsContact O-CE1 3.25Å; I27-F46 WeakPolarHBondContact O-CE1 3.48Å; I27-N81 WeakPolarHBondContact CA-O 3.16Å; I27-N81 HydrophobicContact CG1-CB 4.06Å; I27-L83 HydrophobicContact CD1-CB 4.35Å; I27-L83 HydrophobicContact CG2-CB 3.99Å
28I97.5Very high97.3Very high81 Ų8149.7 Ų49.742%0.41526%0.263SS..EExtended strand (participates in β ladder)trans-121.1-22.1174.168.3165.2000112.5G26 F46 N47 S80 N81G26-I28 PolarHBondContact O-N 3.45Å; I28-F46 CarbonylContact O-C 3.58Å; I28-F46 VanDerWaalsContact O-CA 3.3Å; I28-F46 WeakPolarHBondContact O-CA 3.2Å; I28-N47 PolarHBondContact O-N 2.98Å; I28-S80 WeakPolarHBondContact CD1-OG 3.33Å; I28-S80 VanDerWaalsContact CG1-CB 3.45Å; I28-N81 PolarHBondContact N-O 3Å
29S98.3Very high97.4Very high2 Ų250.6 Ų50.61%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-107.9141.6177.1-63.20000110.9I27 N47 S75 N81 I82 L83I27-S29 WeakPolarHBondContact CG2-O 3.38Å; S29-N47 CarbonylContact C-O 3.59Å; S29-N47 WeakPolarHBondContact CA-O 3.47Å; S29-S75 WeakPolarHBondContact CB-OG 3.47Å; S29-S75 PolarHBondContact OG-OG 2.98Å; S29-N81 PolarHBondContact N-O 3.24Å; S29-I82 WeakPolarHBondContact O-CA 3.38Å; S29-L83 PolarHBondContact O-N 3.38Å
30I98.6Very high97.2Very high0 Ų052.6 Ų52.60%029%0.285CS..EExtended strand (participates in β ladder)trans-131119.2176.1-54.9178.4000109.2L22 I27 L38 F43 F46 N47 M48 K49 L83 H85L22-I30 HydrophobicContact CD1-CD1 4.04Å; I27-I30 HydrophobicContact CG2-CG1 4.44Å; I30-L38 HydrophobicContact CD1-CD1 4.37Å; I30-L38 HydrophobicContact CG2-CD1 3.79Å; I30-F43 HydrophobicContact CD1-CD1 4Å; I30-F46 HydrophobicContact CD1-CB 3.89Å; I30-F46 HydrophobicContact CD1-CD1 3.71Å; I30-F46 HydrophobicContact CD1-CD2 4.14Å; I30-F46 HydrophobicContact CD1-CE1 4.25Å; I30-F46 HydrophobicContact CD1-CG 3.64Å; I30-F46 HydrophobicContact CG1-CB 4.13Å; I30-F46 HydrophobicContact CG1-CD1 3.95Å; I30-F46 HydrophobicContact CG1-CG 4.17Å; I30-N47 PolarHBondContact N-O 3.24Å; I30-M48 WeakPolarHBondContact O-CA 3.43Å; I30-K49 PolarHBondContact O-N 3.46Å; I30-L83 CarbonylContact C-O 3.43Å; I30-L83 WeakPolarHBondContact CA-O 3.4Å; I30-L83 HydrophobicContact CG2-CD2 4.3Å; I30-H85 WeakPolarHBondContact CG2-CD2 3.42Å; I30-H85 WeakPolarHBondContact CG2-NE2 3.32Å
31L98.8Very high97.1Very high0 Ų055.5 Ų55.50%030%0.295CS..EExtended strand (participates in β ladder)trans-100.5111.4170.2179.359000109.7L33 K49 L51 A68 F71 I72 I82 L83 V84 H85 V96L31-L33 HydrophobicContact CD2-CD1 4.49Å; L31-L33 HydrophobicContact CG-CG 4.36Å; L31-K49 WeakPolarHBondContact CA-O 3.26Å; L31-K49 HydrophobicContact CD1-CB 3.96Å; L31-K49 HydrophobicContact CD1-CD 4.22Å; L31-K49 HydrophobicContact CD1-CG 4.02Å; L31-L51 HydrophobicContact CD1-CD1 3.96Å; L31-L51 HydrophobicContact CD1-CG 4.18Å; L31-A68 HydrophobicContact CD2-CB 4.03Å; L31-F71 HydrophobicContact CB-CD1 3.88Å; L31-F71 HydrophobicContact CB-CE1 3.94Å; L31-F71 HydrophobicContact CD1-CD1 4.08Å; L31-F71 HydrophobicContact CD2-CD1 4.47Å; L31-F71 HydrophobicContact CG-CD1 4.36Å; L31-I72 HydrophobicContact CD2-CD1 4.1Å; L31-I72 HydrophobicContact CD2-CG1 4.02Å; L31-I82 HydrophobicContact CB-CD1 4.19Å; L31-L83 PolarHBondContact N-O 3.3Å; L31-V84 HydrophobicContact CB-CG1 4.42Å; L31-V84 HydrophobicContact CB-CG2 4.31Å; L31-V84 HydrophobicContact CD2-CG1 4.02Å; L31-V84 HydrophobicContact CD2-CG2 4.29Å; L31-V84 HydrophobicContact CG-CG1 4.34Å; L31-H85 PolarHBondContact O-CD2 3.41Å; L31-H85 PolarHBondContact O-N 2.78Å; L31-V96 HydrophobicContact CD2-CG1 4.31Å
32T98.8Very high97.1Very high4 Ų456.1 Ų56.13%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-94.1119.8176.6-54.30000110.5D34 K49 F50 L51 H85T32-D34 HydrophobicContact CG2-CB 4.16Å; T32-K49 PolarHBondContact N-O 3.26Å; T32-F50 HydrophobicContact CG2-CD2 3.78Å; T32-F50 HydrophobicContact CG2-CE2 4.33Å; T32-L51 PolarHBondContact O-N 3.36Å; T32-H85 WeakPolarHBondContact CA-NE2 3.29Å; T32-H85 WeakPolarHBondContact CB-NE2 3.31Å; T32-H85 VanDerWaalsContact CG2-CE1 3.49Å; T32-H85 WeakPolarHBondContact CG2-CE1 3.3Å; T32-H85 PolarHBondContact OG1-CE1 2.81Å; T32-H85 PolarHBondContact OG1-NE2 2.8Å
33L98.7Very high97Very high0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-114.283.6174.1-66.8155.9000109L31 L51 L53 I64 V84 H85 C86 R92 V96L31-L33 HydrophobicContact CD2-CD1 4.49Å; L31-L33 HydrophobicContact CG-CG 4.36Å; L33-L51 WeakPolarHBondContact CA-O 3.2Å; L33-L51 HydrophobicContact CD2-CB 3.92Å; L33-L51 HydrophobicContact CD2-CD1 4.35Å; L33-L53 HydrophobicContact CB-CD2 4.41Å; L33-L53 HydrophobicContact CD2-CD2 4.22Å; L33-I64 HydrophobicContact CD2-CD1 3.8Å; L33-V84 HydrophobicContact CD1-CG1 3.66Å; L33-H85 PolarHBondContact N-O 2.88Å; L33-C86 HydrophobicContact CB-CB 4.44Å; L33-C86 WeakPolarHBondContact O-CA 3.33Å; L33-C86 WeakPolarHBondContact O-CB 3.12Å; L33-R92 HydrophobicContact CB-CB 4.45Å; L33-V96 HydrophobicContact CD1-CB 3.66Å; L33-V96 HydrophobicContact CD1-CG1 4.09Å; L33-V96 HydrophobicContact CD1-CG2 3.46Å; L33-V96 VanDerWaalsContact CD1-CG2 3.46Å; L33-V96 HydrophobicContact CD2-CG2 3.98Å; L33-V96 HydrophobicContact CG-CG2 4.38Å
34D97.5Very high96.9Very high17 Ų1758.1 Ų58.19%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-149.4-175.7-176-137.9-47.9000113.1T32 F50 L51 Y52 L53 A87 R92T32-D34 HydrophobicContact CG2-CB 4.16Å; D34-F50 VanDerWaalsContact O-CE2 3.26Å; D34-F50 WeakPolarHBondContact O-CE2 3.19Å; D34-F50 WeakPolarHBondContact O-CZ 3.48Å; D34-L51 PolarHBondContact N-O 3Å; D34-Y52 WeakPolarHBondContact O-CA 3.4Å; D34-L53 CarbonylContact C-O 3.55Å; D34-L53 PolarHBondContact O-N 3.12Å; D34-A87 WeakPolarHBondContact OD2-CA 2.99Å; D34-A87 PolarHBondContact OD2-N 3.15Å; D34-R92 VanDerWaalsContact CG-NH1 3.29Å; D34-R92 IonicContact OD1-CZ 2.74Å; D34-R92 VanDerWaalsContact OD1-CZ 3.32Å; D34-R92 IonicContact OD1-NH1 2.93Å; D34-R92 PolarHBondContact OD1-NH1 2.92Å; D34-R92 IonicContact OD1-NH2 3.86Å; D34-R92 PolarHBondContact OD1-NH2 2.94Å; D34-R92 VanDerWaalsContact OD1-NH2 3.12Å; D34-R92 IonicContact OD2-CZ 3.62Å; D34-R92 IonicContact OD2-NH1 3.1Å; D34-R92 IonicContact OD2-NH2 2.95Å; D34-R92 PolarHBondContact OD2-NH2 3.33Å; D34-R92 VanDerWaalsContact OD2-NH2 3.12Å
35I96.8Very high96.8Very high89 Ų8953 Ų5346%0.45631%0.309SS..SBendtrans-80.8-20.417257.4167.3000112.7Y52 R54I35-Y52 HydrophobicContact CB-CE2 4.21Å; I35-Y52 HydrophobicContact CG2-CE2 4.19Å; I35-R54 HydrophobicContact CG2-CG 3.94Å
36L96.2Very high96.8Very high123 Ų12351.7 Ų51.764%0.64430%0.301SS*.SBendtrans-132.7145.1178.7-66.8174.8000110.3F50L36-F50 VanDerWaalsContact C-CE2 3.44Å; L36-F50 WeakPolarHBondContact O-CE2 3.38Å
37P97.1Very high96.9Very high79 Ų7953.7 Ų53.751%0.51330%0.303SS..  trans-72.9164.7173.332.3-35.7000111.7F50P37-F50 HydrophobicContact CB-CB 4.05Å; P37-F50 HydrophobicContact CB-CD1 4.2Å; P37-F50 HydrophobicContact CB-CD2 3.97Å; P37-F50 HydrophobicContact CB-CE2 4.48Å; P37-F50 HydrophobicContact CB-CG 3.8Å
38L96.4Very high96.8Very high15 Ų1556.5 Ų56.58%0.07932%0.317CS..  trans-68.5150.5164.6-68.6-179.6000111.1M13 P14 I30 C40 F43 M48 H85M13-L38 HydrophobicContact CG-CD2 3.82Å; M13-L38 HydrophobicContact SD-CD2 4.4Å; P14-L38 HydrophobicContact CG-CD1 3.85Å; P14-L38 HydrophobicContact CG-CD2 4.27Å; I30-L38 HydrophobicContact CD1-CD1 4.37Å; I30-L38 HydrophobicContact CG2-CD1 3.79Å; L38-C40 PolarHBondContact O-N 3.11Å; L38-F43 HydrophobicContact CB-CD2 3.89Å; L38-F43 HydrophobicContact CB-CE2 4.28Å; L38-F43 HydrophobicContact CD1-CD1 4.39Å; L38-F43 HydrophobicContact CD1-CD2 4.03Å; L38-F43 HydrophobicContact CD1-CE2 4.15Å; L38-F43 HydrophobicContact CD1-CG 4.15Å; L38-F43 HydrophobicContact CD1-CZ 4.4Å; L38-F43 HydrophobicContact CD2-CD2 4.44Å; L38-F43 HydrophobicContact CD2-CE2 3.99Å; L38-F43 HydrophobicContact CD2-CZ 4.47Å; L38-F43 HydrophobicContact CG-CD2 4.35Å; L38-F43 HydrophobicContact CG-CE2 4.38Å; L38-M48 HydrophobicContact CB-SD 4.35Å; L38-H85 WeakPolarHBondContact CD1-NE2 3.29Å
39D95.8Very high96.9Very high79 Ų7954.8 Ų54.842%0.42231%0.306SS..  trans-65.6114.9172.7-174.4-27.6000110.7N41 I42 F43D39-N41 PolarHBondContact O-N 3.34Å; D39-N41 WeakPolarHBondContact OD1-CB 3.27Å; D39-N41 PolarHBondContact OD1-N 2.75Å; D39-I42 HydrophobicContact CB-CB 4.19Å; D39-I42 HydrophobicContact CB-CD1 3.93Å; D39-I42 HydrophobicContact CB-CG1 4.02Å; D39-I42 PolarHBondContact O-N 2.83Å; D39-F43 WeakPolarHBondContact O-CD2 3.5Å; D39-F43 PolarHBondContact O-N 2.91Å
40C93.4Very high96.9Very high81 Ų8158.4 Ų58.455%0.54732%0.322SS..THydrogen-bonded Turntrans-65.4-23.9-177.561.50000113.9L38 K44 M48L38-C40 PolarHBondContact O-N 3.11Å; C40-K44 WeakPolarHBondContact O-CA 3.5Å; C40-K44 PolarHBondContact O-N 3.34Å; C40-M48 HydrophobicContact CB-CE 4.05Å
41N95.6Very high96.9Very high129 Ų12959.2 Ų59.269%0.6933%0.326SS*.THydrogen-bonded Turntrans-75.5-40.3176.7-64.5-51.1000111D39D39-N41 PolarHBondContact O-N 3.34Å; D39-N41 WeakPolarHBondContact OD1-CB 3.27Å; D39-N41 PolarHBondContact OD1-N 2.75Å
42I96Very high96.9Very high72 Ų7264 Ų6437%0.36935%0.345SS..THydrogen-bonded Turntrans-67.8-48.2177.4-64179.5000110A16 I19 D39 K44A16-I42 HydrophobicContact CB-CG2 3.61Å; I19-I42 HydrophobicContact CD1-CG2 4.04Å; I19-I42 WeakPolarHBondContact CD1-O 3.34Å; D39-I42 HydrophobicContact CB-CB 4.19Å; D39-I42 HydrophobicContact CB-CD1 3.93Å; D39-I42 HydrophobicContact CB-CG1 4.02Å; D39-I42 PolarHBondContact O-N 2.83Å; I42-K44 VanDerWaalsContact C-N 3.27Å; I42-K44 PolarHBondContact O-N 3.37Å
43F96.7Very high96.8Very high7 Ų763.8 Ų63.83%0.03134%0.344CS..THydrogen-bonded Turntrans-94.232-177.6-64.5-85.2000112.7P14 I19 L22 I30 L38 D39 G45 F46 M48P14-F43 HydrophobicContact CB-CE1 3.89Å; P14-F43 HydrophobicContact CB-CZ 3.95Å; P14-F43 HydrophobicContact CG-CE1 3.84Å; P14-F43 HydrophobicContact CG-CZ 3.87Å; P14-F43 WeakPolarHBondContact O-CZ 3.5Å; I19-F43 HydrophobicContact CG1-CD1 4.25Å; I19-F43 HydrophobicContact CG1-CE1 4.12Å; L22-F43 HydrophobicContact CD1-CD1 4.26Å; L22-F43 HydrophobicContact CD1-CE1 4Å; I30-F43 HydrophobicContact CD1-CD1 4Å; L38-F43 HydrophobicContact CB-CD2 3.89Å; L38-F43 HydrophobicContact CB-CE2 4.28Å; L38-F43 HydrophobicContact CD1-CD1 4.39Å; L38-F43 HydrophobicContact CD1-CD2 4.03Å; L38-F43 HydrophobicContact CD1-CE2 4.15Å; L38-F43 HydrophobicContact CD1-CG 4.15Å; L38-F43 HydrophobicContact CD1-CZ 4.4Å; L38-F43 HydrophobicContact CD2-CD2 4.44Å; L38-F43 HydrophobicContact CD2-CE2 3.99Å; L38-F43 HydrophobicContact CD2-CZ 4.47Å; L38-F43 HydrophobicContact CG-CD2 4.35Å; L38-F43 HydrophobicContact CG-CE2 4.38Å; D39-F43 WeakPolarHBondContact O-CD2 3.5Å; D39-F43 PolarHBondContact O-N 2.91Å; F43-G45 PolarHBondContact O-N 3.02Å; F43-F46 HydrophobicContact CB-CD2 4.13Å; F43-F46 HydrophobicContact CD1-CD2 4.34Å; F43-F46 HydrophobicContact CD1-CE2 4.31Å; F43-F46 WeakPolarHBondContact O-CD2 3.33Å; F43-F46 PolarHBondContact O-N 3.34Å; F43-M48 HydrophobicContact CB-SD 3.54Å; F43-M48 VanDerWaalsContact CB-SD 3.54Å; F43-M48 HydrophobicContact CG-SD 4.5Å
44K94.6Very high96.7Very high169 Ų16968.1 Ų68.174%0.73536%0.36SS*.THydrogen-bonded Turntrans-60133.5175.7-174.5176.1179.4176.50110.9C40 I42C40-K44 WeakPolarHBondContact O-CA 3.5Å; C40-K44 PolarHBondContact O-N 3.34Å; I42-K44 VanDerWaalsContact C-N 3.27Å; I42-K44 PolarHBondContact O-N 3.37Å
45G94.4Very high96.6Very high77 Ų7770.7 Ų70.779%0.79437%0.374SS*.THydrogen-bonded Turntrans93.5-1.217900000114.9F43F43-G45 PolarHBondContact O-N 3.02Å
46F97.4Very high96.2Very high22 Ų2269.4 Ų69.410%0.09637%0.366CS..SBendtrans-91.8145.1164.5-64.9-89.3000110.1I19 L22 K23 I27 I28 I30 F43 M48I19-F46 HydrophobicContact CG1-CE2 4.49Å; I19-F46 HydrophobicContact CG2-CE2 4.2Å; I19-F46 HydrophobicContact CG2-CZ 4.36Å; L22-F46 HydrophobicContact CB-CE1 3.8Å; L22-F46 HydrophobicContact CB-CZ 3.73Å; L22-F46 HydrophobicContact CD1-CE1 4.05Å; L22-F46 HydrophobicContact CD1-CE2 4.37Å; L22-F46 HydrophobicContact CD1-CZ 3.77Å; L22-F46 HydrophobicContact CG-CZ 4.4Å; K23-F46 HydrophobicContact CG-CZ 4.13Å; I27-F46 HydrophobicContact CG2-CE1 4.48Å; I27-F46 VanDerWaalsContact O-CE1 3.25Å; I27-F46 WeakPolarHBondContact O-CE1 3.48Å; I28-F46 CarbonylContact O-C 3.58Å; I28-F46 VanDerWaalsContact O-CA 3.3Å; I28-F46 WeakPolarHBondContact O-CA 3.2Å; I30-F46 HydrophobicContact CD1-CB 3.89Å; I30-F46 HydrophobicContact CD1-CD1 3.71Å; I30-F46 HydrophobicContact CD1-CD2 4.14Å; I30-F46 HydrophobicContact CD1-CE1 4.25Å; I30-F46 HydrophobicContact CD1-CG 3.64Å; I30-F46 HydrophobicContact CG1-CB 4.13Å; I30-F46 HydrophobicContact CG1-CD1 3.95Å; I30-F46 HydrophobicContact CG1-CG 4.17Å; F43-F46 HydrophobicContact CB-CD2 4.13Å; F43-F46 HydrophobicContact CD1-CD2 4.34Å; F43-F46 HydrophobicContact CD1-CE2 4.31Å; F43-F46 WeakPolarHBondContact O-CD2 3.33Å; F43-F46 PolarHBondContact O-N 3.34Å; F46-M48 HydrophobicContact CB-CG 4.02Å; F46-M48 PolarHBondContact O-N 2.83Å
47N97.3Very high95.6Very high79 Ų7967.4 Ų67.442%0.42236%0.36SS..EExtended strand (participates in β ladder)trans-75.9106.3165.1-179.121.7000108.3I28 S29 I30I28-N47 PolarHBondContact O-N 2.98Å; S29-N47 CarbonylContact C-O 3.59Å; S29-N47 WeakPolarHBondContact CA-O 3.47Å; I30-N47 PolarHBondContact N-O 3.24Å
48M97.6Very high95Very high62 Ų6266.8 Ų66.831%0.30536%0.357SS..EExtended strand (participates in β ladder)trans-108.8139.6-172.6-56.1-161.5-41.400111.8I30 L38 C40 F43 F46I30-M48 WeakPolarHBondContact O-CA 3.43Å; L38-M48 HydrophobicContact CB-SD 4.35Å; C40-M48 HydrophobicContact CB-CE 4.05Å; F43-M48 HydrophobicContact CB-SD 3.54Å; F43-M48 VanDerWaalsContact CB-SD 3.54Å; F43-M48 HydrophobicContact CG-SD 4.5Å; F46-M48 HydrophobicContact CB-CG 4.02Å; F46-M48 PolarHBondContact O-N 2.83Å
49K98.4Very high94.8Very high44 Ų4466.9 Ų66.919%0.19136%0.357CS..EExtended strand (participates in β ladder)trans-129.7132.3167.8-173171.4-167.2167.40109.8I30 L31 T32 L51 D67 F71I30-K49 PolarHBondContact O-N 3.46Å; L31-K49 WeakPolarHBondContact CA-O 3.26Å; L31-K49 HydrophobicContact CD1-CB 3.96Å; L31-K49 HydrophobicContact CD1-CD 4.22Å; L31-K49 HydrophobicContact CD1-CG 4.02Å; T32-K49 PolarHBondContact N-O 3.26Å; K49-L51 HydrophobicContact CG-CG 4.49Å; K49-D67 VanDerWaalsContact CE-CG 3.48Å; K49-D67 WeakPolarHBondContact CE-OD2 3.17Å; K49-D67 PolarHBondContact NZ-O 3.41Å; K49-D67 IonicContact NZ-OD1 3.78Å; K49-D67 PolarHBondContact NZ-OD1 3.24Å; K49-D67 IonicContact NZ-OD2 3.12Å; K49-D67 PolarHBondContact NZ-OD2 3.02Å; K49-F71 HydrophobicContact CB-CD1 3.84Å; K49-F71 HydrophobicContact CB-CD2 3.9Å; K49-F71 HydrophobicContact CB-CE1 3.66Å; K49-F71 HydrophobicContact CB-CE2 3.72Å; K49-F71 HydrophobicContact CB-CG 3.94Å; K49-F71 HydrophobicContact CB-CZ 3.6Å; K49-F71 HydrophobicContact CD-CB 3.54Å; K49-F71 HydrophobicContact CD-CD1 4.03Å; K49-F71 HydrophobicContact CD-CD2 3.62Å; K49-F71 HydrophobicContact CD-CE2 4.28Å; K49-F71 HydrophobicContact CD-CG 3.45Å; K49-F71 VanDerWaalsContact CD-CG 3.45Å; K49-F71 HydrophobicContact CG-CD2 4.41Å; K49-F71 HydrophobicContact CG-CG 4.35Å
50F98.6Very high94.6Very high78 Ų7863.9 Ų63.934%0.34234%0.342SS..EExtended strand (participates in β ladder)trans-111.5131174.5169.5-111.8000109.7T32 D34 L36 P37 Y52T32-F50 HydrophobicContact CG2-CD2 3.78Å; T32-F50 HydrophobicContact CG2-CE2 4.33Å; D34-F50 VanDerWaalsContact O-CE2 3.26Å; D34-F50 WeakPolarHBondContact O-CE2 3.19Å; D34-F50 WeakPolarHBondContact O-CZ 3.48Å; L36-F50 VanDerWaalsContact C-CE2 3.44Å; L36-F50 WeakPolarHBondContact O-CE2 3.38Å; P37-F50 HydrophobicContact CB-CB 4.05Å; P37-F50 HydrophobicContact CB-CD1 4.2Å; P37-F50 HydrophobicContact CB-CD2 3.97Å; P37-F50 HydrophobicContact CB-CE2 4.48Å; P37-F50 HydrophobicContact CB-CG 3.8Å; F50-Y52 HydrophobicContact CZ-CD2 4.35Å
51L98.6Very high94.8Very high17 Ų1760 Ų609%0.08932%0.315CS..EExtended strand (participates in β ladder)trans-126.6120.6171.2-63.6176.8000108.4L31 T32 L33 D34 K49 L53 I64 D67 A68L31-L51 HydrophobicContact CD1-CD1 3.96Å; L31-L51 HydrophobicContact CD1-CG 4.18Å; T32-L51 PolarHBondContact O-N 3.36Å; L33-L51 WeakPolarHBondContact CA-O 3.2Å; L33-L51 HydrophobicContact CD2-CB 3.92Å; L33-L51 HydrophobicContact CD2-CD1 4.35Å; D34-L51 PolarHBondContact N-O 3Å; K49-L51 HydrophobicContact CG-CG 4.49Å; L51-L53 PolarHBondContact O-N 3.13Å; L51-I64 HydrophobicContact CB-CB 4.48Å; L51-I64 HydrophobicContact CD1-CB 4.33Å; L51-I64 HydrophobicContact CD1-CD1 4.29Å; L51-D67 WeakPolarHBondContact CD2-OD2 3.38Å; L51-A68 HydrophobicContact CD1-CB 3.57Å
52Y98.4Very high94.8Very high101 Ų10154 Ų5440%0.39628%0.283SS..EExtended strand (participates in β ladder)trans-64.3124.3179.3178.6-87.9000110.3D34 I35 F50 R54D34-Y52 WeakPolarHBondContact O-CA 3.4Å; I35-Y52 HydrophobicContact CB-CE2 4.21Å; I35-Y52 HydrophobicContact CG2-CE2 4.19Å; F50-Y52 HydrophobicContact CZ-CD2 4.35Å; Y52-R54 HydrophobicContact CE1-CG 3.99Å; Y52-R54 WeakPolarHBondContact OH-CD 3.27Å; Y52-R54 WeakPolarHBondContact OH-CG 3.42Å; Y52-R54 PolarHBondContact OH-NH1 3.23Å
53L98.2Very high94.7Very high0 Ų056.6 Ų56.60%029%0.294CS..  trans-152.3118177.9-165.970.5000111.4L33 D34 L51 Q59 L61 I64 R92 F128L33-L53 HydrophobicContact CB-CD2 4.41Å; L33-L53 HydrophobicContact CD2-CD2 4.22Å; D34-L53 CarbonylContact C-O 3.55Å; D34-L53 PolarHBondContact O-N 3.12Å; L51-L53 PolarHBondContact O-N 3.13Å; L53-Q59 HydrophobicContact CD1-CG 3.46Å; L53-Q59 VanDerWaalsContact CD1-CG 3.46Å; L53-Q59 HydrophobicContact CG-CG 4.26Å; L53-L61 HydrophobicContact CD1-CD1 4.3Å; L53-L61 HydrophobicContact CD2-CD1 3.91Å; L53-I64 HydrophobicContact CD1-CG1 4.18Å; L53-R92 HydrophobicContact CD2-CB 3.85Å; L53-R92 HydrophobicContact CD2-CG 3.75Å; L53-R92 HydrophobicContact CG-CG 4.07Å; L53-R92 WeakPolarHBondContact O-CD 2.93Å; L53-R92 PolarHBondContact O-NH1 3.23Å; L53-F128 HydrophobicContact CD1-CE1 4.3Å; L53-F128 HydrophobicContact CD1-CZ 4.08Å; L53-F128 HydrophobicContact CD2-CE2 4.33Å; L53-F128 HydrophobicContact CD2-CZ 3.97Å; L53-F128 HydrophobicContact CG-CZ 3.97Å
54R95.7Very high94.8Very high91 Ų9157.2 Ų57.234%0.34330%0.297SS..  trans-80.5148.8168.8-65.8-165.2-60-81.3-4111.1I35 Y52 E56 Q59 F128I35-R54 HydrophobicContact CG2-CG 3.94Å; Y52-R54 HydrophobicContact CE1-CG 3.99Å; Y52-R54 WeakPolarHBondContact OH-CD 3.27Å; Y52-R54 WeakPolarHBondContact OH-CG 3.42Å; Y52-R54 PolarHBondContact OH-NH1 3.23Å; R54-E56 VanDerWaalsContact C-N 3.32Å; R54-E56 HydrophobicContact CB-CG 3.95Å; R54-E56 IonicContact CZ-OE1 2.77Å; R54-E56 IonicContact NE-OE1 3.87Å; R54-E56 PolarHBondContact NE-OE1 3.13Å; R54-E56 IonicContact NE-OE2 2.77Å; R54-E56 IonicContact NH2-OE1 2.78Å; R54-E56 PolarHBondContact NH2-OE1 3.48Å; R54-E56 PolarHBondContact O-N 2.88Å; R54-Q59 HydrophobicContact CB-CG 4.44Å; R54-Q59 WeakPolarHBondContact O-CG 3.28Å; R54-F128 WeakPolarHBondContact O-CZ 3.46Å
55D95.1Very high95Very high71 Ų7149.1 Ų49.138%0.3826%0.262SS..SBendtrans-93.358.5-178.7-152.2-12.1000112.4S91 R92 N125D55-S91 WeakPolarHBondContact OD1-CB 3.5Å; D55-S91 PolarHBondContact OD1-OG 3.5Å; D55-S91 VanDerWaalsContact OD2-CB 3.25Å; D55-S91 WeakPolarHBondContact OD2-CB 3.24Å; D55-R92 HydrophobicContact CB-CG 3.88Å; D55-R92 IonicContact OD2-NE 2.69Å; D55-N125 PolarHBondContact OD1-ND2 3.45Å
56E88.6Confident95.2Very high62 Ų6248.6 Ų48.629%0.2924%0.239SC..SBendtrans-132.4149.5-175.960.6-175.2-163.200111.4R54 S58 Q59R54-E56 VanDerWaalsContact C-N 3.32Å; R54-E56 HydrophobicContact CB-CG 3.95Å; R54-E56 IonicContact CZ-OE1 2.77Å; R54-E56 IonicContact NE-OE1 3.87Å; R54-E56 PolarHBondContact NE-OE1 3.13Å; R54-E56 IonicContact NE-OE2 2.77Å; R54-E56 IonicContact NH2-OE1 2.78Å; R54-E56 PolarHBondContact NH2-OE1 3.48Å; R54-E56 PolarHBondContact O-N 2.88Å; E56-S58 VanDerWaalsContact CD-OG 3.25Å; E56-S58 WeakPolarHBondContact CG-OG 3.42Å; E56-S58 PolarHBondContact O-N 3.08Å; E56-S58 PolarHBondContact OE1-OG 2.72Å; E56-Q59 HydrophobicContact CG-CB 3.87Å; E56-Q59 WeakPolarHBondContact O-CB 3.43Å; E56-Q59 PolarHBondContact O-N 2.85Å
57P85Confident95.2Very high80 Ų8051 Ų5152%0.51925%0.253SS..THydrogen-bonded Turntrans-59.3-28-179.8-25.735.1000114.8Q59 N125 G127P57-Q59 VanDerWaalsContact C-N 3.32Å; P57-N125 WeakPolarHBondContact CA-OD1 3.38Å; P57-N125 HydrophobicContact CG-CB 4.41Å; P57-G127 WeakPolarHBondContact O-CA 3.02Å
58S83.6Confident95.3Very high66 Ų6647.3 Ų47.346%0.46223%0.233SC..THydrogen-bonded Turntrans-76.3-14.4178.351.50000113.2E56 R156E56-S58 VanDerWaalsContact CD-OG 3.25Å; E56-S58 WeakPolarHBondContact CG-OG 3.42Å; E56-S58 PolarHBondContact O-N 3.08Å; E56-S58 PolarHBondContact OE1-OG 2.72Å; S58-R156 PolarHBondContact O-NH2 2.87Å
59Q92.2Very high95.3Very high17 Ų1744.3 Ų44.38%0.07922%0.218CC..SBendtrans-69.8138.8-178.7-177.365.316.800111.5L53 R54 E56 P57 L61 F128 Q131L53-Q59 HydrophobicContact CD1-CG 3.46Å; L53-Q59 VanDerWaalsContact CD1-CG 3.46Å; L53-Q59 HydrophobicContact CG-CG 4.26Å; R54-Q59 HydrophobicContact CB-CG 4.44Å; R54-Q59 WeakPolarHBondContact O-CG 3.28Å; E56-Q59 HydrophobicContact CG-CB 3.87Å; E56-Q59 WeakPolarHBondContact O-CB 3.43Å; E56-Q59 PolarHBondContact O-N 2.85Å; P57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 3.25Å; Q59-F128 HydrophobicContact CB-CE1 3.95Å; Q59-F128 HydrophobicContact CB-CZ 4.29Å; Q59-F128 HydrophobicContact CG-CE1 4.19Å; Q59-F128 HydrophobicContact CG-CZ 4.38Å; Q59-Q131 PolarHBondContact O-NE2 2.79Å
60D91.8Very high95.3Very high17 Ų1745.2 Ų45.29%0.09123%0.23CC..  trans-84.2104.5173.6-162.1-19.6000110L62 E63 Q131D60-L62 WeakPolarHBondContact OD1-CB 3.27Å; D60-L62 PolarHBondContact OD1-N 3.5Å; D60-E63 HydrophobicContact CB-CB 4.18Å; D60-E63 PolarHBondContact OD1-N 3.47Å; D60-Q131 PolarHBondContact OD1-OE1 2.93Å
61L97Very high95.3Very high0 Ų042 Ų420%022%0.216CC..SBendtrans-78-34172.717663.7000111.1L53 Q59 E63 I64 L65 V96 F128 L132L53-L61 HydrophobicContact CD1-CD1 4.3Å; L53-L61 HydrophobicContact CD2-CD1 3.91Å; Q59-L61 PolarHBondContact O-N 3.25Å; L61-E63 PolarHBondContact O-N 2.86Å; L61-I64 HydrophobicContact CD1-CD1 3.86Å; L61-I64 HydrophobicContact CD1-CG1 4.42Å; L61-I64 PolarHBondContact O-N 3.33Å; L61-L65 WeakPolarHBondContact O-CB 3.35Å; L61-L65 PolarHBondContact O-N 2.97Å; L61-L65 VanDerWaalsContact O-N 3.16Å; L61-V96 HydrophobicContact CD1-CG2 3.9Å; L61-F128 HydrophobicContact CB-CD1 3.7Å; L61-F128 HydrophobicContact CB-CE1 3.89Å; L61-F128 HydrophobicContact CD2-CB 4.08Å; L61-F128 HydrophobicContact CD2-CD1 4.09Å; L61-F128 HydrophobicContact CD2-CG 4.1Å; L61-F128 HydrophobicContact CG-CD1 4.42Å; L61-L132 HydrophobicContact CD2-CD2 4.13Å; L61-L132 HydrophobicContact CD2-CG 4.28Å
62L95.3Very high95.3Very high2 Ų241.2 Ų41.21%0.0121%0.212CC..Hα-helixtrans-64.6-29.9-176.6-62.3-178.2000111.8D60 I64 L65 Q131 L134 F135 M138 V142 F149 Y152D60-L62 WeakPolarHBondContact OD1-CB 3.27Å; D60-L62 PolarHBondContact OD1-N 3.5Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 2.91Å; L62-L65 HydrophobicContact CD2-CD2 3.93Å; L62-L65 PolarHBondContact O-N 3.49Å; L62-Q131 HydrophobicContact CD2-CB 4.23Å; L62-Q131 HydrophobicContact CG-CB 4.13Å; L62-Q131 HydrophobicContact CG-CG 4.23Å; L62-L134 HydrophobicContact CD1-CD2 3.89Å; L62-L134 HydrophobicContact CD1-CG 4.45Å; L62-F135 HydrophobicContact CD2-CB 4.2Å; L62-M138 HydrophobicContact CD1-CE 4.13Å; L62-V142 HydrophobicContact CB-CG1 4.08Å; L62-V142 HydrophobicContact CB-CG2 4.44Å; L62-V142 HydrophobicContact CD2-CG2 4.15Å; L62-F149 HydrophobicContact CB-CE2 4.11Å; L62-F149 HydrophobicContact CD1-CD2 4.17Å; L62-F149 HydrophobicContact CD1-CE2 3.95Å; L62-Y152 HydrophobicContact CD1-CD1 4.2Å; L62-Y152 HydrophobicContact CD1-CE1 3.76Å
63E95.4Very high95.3Very high126 Ų12638 Ų3859%0.58920%0.202SC*.Hα-helixtrans-54.8-43.4175.4-174.6177.8176.200113D60 L61D60-E63 HydrophobicContact CB-CB 4.18Å; D60-E63 PolarHBondContact OD1-N 3.47Å; L61-E63 PolarHBondContact O-N 2.86Å
64I98Very high95.3Very high20 Ų2042.8 Ų42.810%0.10322%0.224CC..Hα-helixtrans-98.6-7.1-17665.680.7000113.2L33 L51 L53 L61 L62 E66 D67 A68 V96L33-I64 HydrophobicContact CD2-CD1 3.8Å; L51-I64 HydrophobicContact CB-CB 4.48Å; L51-I64 HydrophobicContact CD1-CB 4.33Å; L51-I64 HydrophobicContact CD1-CD1 4.29Å; L53-I64 HydrophobicContact CD1-CG1 4.18Å; L61-I64 HydrophobicContact CD1-CD1 3.86Å; L61-I64 HydrophobicContact CD1-CG1 4.42Å; L61-I64 PolarHBondContact O-N 3.33Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 2.91Å; I64-E66 PolarHBondContact O-N 3.08Å; I64-D67 PolarHBondContact O-N 3.41Å; I64-A68 HydrophobicContact CD1-CB 4.18Å; I64-A68 WeakPolarHBondContact O-CB 3.26Å; I64-A68 PolarHBondContact O-N 3.42Å; I64-V96 HydrophobicContact CD1-CG2 4.25Å
65L98.2Very high95.3Very high0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-65-48.9-164.2-16957000112.6L61 L62 D67 A68 L69 V96 A99 F135 V142L61-L65 WeakPolarHBondContact O-CB 3.35Å; L61-L65 PolarHBondContact O-N 2.97Å; L61-L65 VanDerWaalsContact O-N 3.16Å; L62-L65 HydrophobicContact CD2-CD2 3.93Å; L62-L65 PolarHBondContact O-N 3.49Å; L65-D67 VanDerWaalsContact C-N 3.25Å; L65-D67 PolarHBondContact O-N 2.89Å; L65-A68 WeakPolarHBondContact O-CB 3.45Å; L65-A68 PolarHBondContact O-N 3.46Å; L65-L69 HydrophobicContact CD1-CD1 4.42Å; L65-L69 HydrophobicContact CD1-CD2 4.39Å; L65-L69 HydrophobicContact CD1-CG 4.18Å; L65-L69 HydrophobicContact CG-CD1 4.1Å; L65-L69 HydrophobicContact CG-CG 4.25Å; L65-L69 VanDerWaalsContact O-CG 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.9Å; L65-V96 HydrophobicContact CD1-CG2 4.48Å; L65-A99 HydrophobicContact CD1-CB 3.61Å; L65-A99 HydrophobicContact CD2-CB 4.2Å; L65-A99 HydrophobicContact CG-CB 4.36Å; L65-F135 HydrophobicContact CD2-CB 4.45Å; L65-F135 HydrophobicContact CD2-CD1 4.3Å; L65-F135 HydrophobicContact CD2-CD2 3.71Å; L65-F135 HydrophobicContact CD2-CE1 4.45Å; L65-F135 HydrophobicContact CD2-CE2 3.86Å; L65-F135 HydrophobicContact CD2-CG 3.92Å; L65-F135 HydrophobicContact CD2-CZ 4.23Å; L65-V142 HydrophobicContact CB-CG2 4.14Å; L65-V142 HydrophobicContact CD2-CG2 4.11Å
66E98Very high95.4Very high65 Ų6536.8 Ų36.830%0.30420%0.198SC..Hα-helixtrans-60.2-38.8180-70.4-62.116300112.1I64 L69 S70 R103 T141 V142I64-E66 PolarHBondContact O-N 3.08Å; E66-L69 PolarHBondContact O-N 2.86Å; E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.46Å; E66-S70 PolarHBondContact O-N 3.05Å; E66-R103 IonicContact OE2-NH1 3.7Å; E66-R103 PolarHBondContact OE2-NH1 3.02Å; E66-T141 WeakPolarHBondContact OE1-CA 3.27Å; E66-V142 HydrophobicContact CG-CB 3.85Å; E66-V142 HydrophobicContact CG-CG2 4.04Å; E66-V142 PolarHBondContact OE1-N 2.87Å
67D98.4Very high95.7Very high74 Ų7441.6 Ų41.640%0.39622%0.218SC..Hα-helixtrans-70.4-36-179.5-162.736.2000112.3K49 L51 I64 L65 F71K49-D67 VanDerWaalsContact CE-CG 3.48Å; K49-D67 WeakPolarHBondContact CE-OD2 3.17Å; K49-D67 PolarHBondContact NZ-O 3.41Å; K49-D67 IonicContact NZ-OD1 3.78Å; K49-D67 PolarHBondContact NZ-OD1 3.24Å; K49-D67 IonicContact NZ-OD2 3.12Å; K49-D67 PolarHBondContact NZ-OD2 3.02Å; L51-D67 WeakPolarHBondContact CD2-OD2 3.38Å; I64-D67 PolarHBondContact O-N 3.41Å; L65-D67 VanDerWaalsContact C-N 3.25Å; L65-D67 PolarHBondContact O-N 2.89Å; D67-F71 PolarHBondContact O-N 2.91Å
68A98.8Very high96.1Very high0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-65.1-50171.800000111.5L31 L51 I64 L65 S70 F71 I72 V96L31-A68 HydrophobicContact CD2-CB 4.03Å; L51-A68 HydrophobicContact CD1-CB 3.57Å; I64-A68 HydrophobicContact CD1-CB 4.18Å; I64-A68 WeakPolarHBondContact O-CB 3.26Å; I64-A68 PolarHBondContact O-N 3.42Å; L65-A68 WeakPolarHBondContact O-CB 3.45Å; L65-A68 PolarHBondContact O-N 3.46Å; A68-S70 PolarHBondContact O-N 3.44Å; A68-F71 PolarHBondContact O-N 3.44Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 2.99Å; A68-I72 VanDerWaalsContact O-N 3.14Å; A68-V96 HydrophobicContact CB-CG1 3.78Å; A68-V96 HydrophobicContact CB-CG2 4.47Å
69L98.7Very high96.4Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-65-39.2-178.1-63.5-174.6000111.8L65 E66 F71 I72 D73 A99 Y100 R103 F135L65-L69 HydrophobicContact CD1-CD1 4.42Å; L65-L69 HydrophobicContact CD1-CD2 4.39Å; L65-L69 HydrophobicContact CD1-CG 4.18Å; L65-L69 HydrophobicContact CG-CD1 4.1Å; L65-L69 HydrophobicContact CG-CG 4.25Å; L65-L69 VanDerWaalsContact O-CG 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 2.9Å; E66-L69 PolarHBondContact O-N 2.86Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 3.24Å; L69-I72 PolarHBondContact O-N 2.93Å; L69-D73 PolarHBondContact O-N 2.75Å; L69-A99 HydrophobicContact CD2-CB 4.19Å; L69-Y100 VanDerWaalsContact CD2-CA 3.49Å; L69-Y100 HydrophobicContact CD2-CD2 4Å; L69-Y100 HydrophobicContact CD2-CG 4.36Å; L69-R103 HydrophobicContact CD1-CB 4.39Å; L69-F135 HydrophobicContact CD1-CE1 4.42Å; L69-F135 HydrophobicContact CD1-CE2 4.42Å; L69-F135 HydrophobicContact CD1-CZ 3.72Å
70S98.3Very high96.4Very high62 Ų6247 Ų4743%0.43424%0.24SC..Hα-helixtrans-59.6-43.7175.5-172.60000112.1E66 A68 D73 E74E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.46Å; E66-S70 PolarHBondContact O-N 3.05Å; A68-S70 PolarHBondContact O-N 3.44Å; S70-D73 PolarHBondContact O-N 3.48Å; S70-E74 WeakPolarHBondContact O-CB 3.44Å; S70-E74 PolarHBondContact O-N 3.39Å
71F98.6Very high96.7Very high11 Ų1148.1 Ų48.15%0.04825%0.246CC..Hα-helixtrans-67.6-36.3179.4-176.5-106.8000112.9L31 K49 D67 A68 L69 S75 I82L31-F71 HydrophobicContact CB-CD1 3.88Å; L31-F71 HydrophobicContact CB-CE1 3.94Å; L31-F71 HydrophobicContact CD1-CD1 4.08Å; L31-F71 HydrophobicContact CD2-CD1 4.47Å; L31-F71 HydrophobicContact CG-CD1 4.36Å; K49-F71 HydrophobicContact CB-CD1 3.84Å; K49-F71 HydrophobicContact CB-CD2 3.9Å; K49-F71 HydrophobicContact CB-CE1 3.66Å; K49-F71 HydrophobicContact CB-CE2 3.72Å; K49-F71 HydrophobicContact CB-CG 3.94Å; K49-F71 HydrophobicContact CB-CZ 3.6Å; K49-F71 HydrophobicContact CD-CB 3.54Å; K49-F71 HydrophobicContact CD-CD1 4.03Å; K49-F71 HydrophobicContact CD-CD2 3.62Å; K49-F71 HydrophobicContact CD-CE2 4.28Å; K49-F71 HydrophobicContact CD-CG 3.45Å; K49-F71 VanDerWaalsContact CD-CG 3.45Å; K49-F71 HydrophobicContact CG-CD2 4.41Å; K49-F71 HydrophobicContact CG-CG 4.35Å; D67-F71 PolarHBondContact O-N 2.91Å; A68-F71 PolarHBondContact O-N 3.44Å; L69-F71 VanDerWaalsContact C-N 3.34Å; L69-F71 PolarHBondContact O-N 3.24Å; F71-S75 WeakPolarHBondContact O-CB 3.37Å; F71-S75 PolarHBondContact O-N 3.31Å; F71-S75 VanDerWaalsContact O-N 3.14Å; F71-S75 PolarHBondContact O-OG 3.12Å; F71-I82 HydrophobicContact CD1-CD1 3.6Å; F71-I82 HydrophobicContact CE1-CD1 3.6Å
72I98.7Very high96.8Very high0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-64.9-47.2173.1-62.7165.8000110.4L8 L31 A68 L69 E74 S75 I76 I82 V84 V96 Y100L8-I72 HydrophobicContact CD1-CG2 3.79Å; L31-I72 HydrophobicContact CD2-CD1 4.1Å; L31-I72 HydrophobicContact CD2-CG1 4.02Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 2.99Å; A68-I72 VanDerWaalsContact O-N 3.14Å; L69-I72 PolarHBondContact O-N 2.93Å; I72-E74 PolarHBondContact O-N 2.87Å; I72-S75 PolarHBondContact O-N 3.42Å; I72-I76 HydrophobicContact CG2-CD1 3.69Å; I72-I76 HydrophobicContact CG2-CG1 4.45Å; I72-I76 WeakPolarHBondContact O-CG1 3.31Å; I72-I76 PolarHBondContact O-N 2.96Å; I72-I82 HydrophobicContact CB-CD1 4.47Å; I72-I82 HydrophobicContact CG1-CD1 4.02Å; I72-I82 HydrophobicContact CG2-CG2 4.33Å; I72-V84 HydrophobicContact CD1-CG2 3.83Å; I72-V84 HydrophobicContact CG1-CG2 3.92Å; I72-V96 HydrophobicContact CD1-CG1 3.78Å; I72-Y100 HydrophobicContact CB-CD2 3.82Å; I72-Y100 HydrophobicContact CB-CE2 3.91Å; I72-Y100 HydrophobicContact CD1-CD2 4.22Å; I72-Y100 HydrophobicContact CD1-CG 4.37Å; I72-Y100 HydrophobicContact CG2-CD1 4.13Å; I72-Y100 HydrophobicContact CG2-CD2 3.45Å; I72-Y100 VanDerWaalsContact CG2-CD2 3.45Å; I72-Y100 HydrophobicContact CG2-CE1 4.06Å; I72-Y100 HydrophobicContact CG2-CE2 3.38Å; I72-Y100 HydrophobicContact CG2-CG 3.85Å
73D97.7Very high97Very high35 Ų3548 Ų4819%0.18725%0.245CC..Hα-helixtrans-61.6-43.8178.7-87-33.9000112.5L69 S70 S75 I76 K77 Y100 R103L69-D73 PolarHBondContact O-N 2.75Å; S70-D73 PolarHBondContact O-N 3.48Å; D73-S75 VanDerWaalsContact C-N 3.35Å; D73-S75 PolarHBondContact O-N 3.44Å; D73-I76 PolarHBondContact O-N 3.42Å; D73-K77 VanDerWaalsContact O-CB 3.26Å; D73-K77 WeakPolarHBondContact O-CB 3.48Å; D73-K77 WeakPolarHBondContact O-CG 3.4Å; D73-K77 PolarHBondContact O-N 2.77Å; D73-Y100 WeakPolarHBondContact OD1-CE2 3.37Å; D73-Y100 PolarHBondContact OD1-OH 2.85Å; D73-R103 IonicContact OD2-CZ 2.7Å; D73-R103 IonicContact OD2-NE 2.75Å; D73-R103 IonicContact OD2-NH2 3.91Å; D73-R103 PolarHBondContact OD2-NH2 2.99Å
74E97.6Very high97.2Very high100 Ų10042 Ų4247%0.46722%0.217SC..Hα-helixtrans-59.4-46.1176.5-175.3-177.617100111.4S70 I72 K77 N78S70-E74 WeakPolarHBondContact O-CB 3.44Å; S70-E74 PolarHBondContact O-N 3.39Å; I72-E74 PolarHBondContact O-N 2.87Å; E74-K77 PolarHBondContact O-N 2.99Å; E74-N78 WeakPolarHBondContact O-CB 3.5Å; E74-N78 VanDerWaalsContact O-CG 3.27Å; E74-N78 PolarHBondContact O-N 2.93Å; E74-N78 PolarHBondContact O-ND2 2.99Å
75S97.4Very high97.2Very high2 Ų241.1 Ų41.11%0.01421%0.212CC..Hα-helixtrans-61.4-49.5178.1-61.30000111.2S29 F71 I72 D73 K77 N78 S80S29-S75 WeakPolarHBondContact CB-OG 3.47Å; S29-S75 PolarHBondContact OG-OG 2.98Å; F71-S75 WeakPolarHBondContact O-CB 3.37Å; F71-S75 PolarHBondContact O-N 3.31Å; F71-S75 VanDerWaalsContact O-N 3.14Å; F71-S75 PolarHBondContact O-OG 3.12Å; I72-S75 PolarHBondContact O-N 3.42Å; D73-S75 VanDerWaalsContact C-N 3.35Å; D73-S75 PolarHBondContact O-N 3.44Å; S75-K77 PolarHBondContact O-N 3.16Å; S75-N78 PolarHBondContact O-N 3.33Å; S75-S80 CarbonylContact C-O 3.6Å; S75-S80 WeakPolarHBondContact O-CA 3.3Å; S75-S80 WeakPolarHBondContact O-CB 3.37Å; S75-S80 PolarHBondContact O-N 3.1Å; S75-S80 VanDerWaalsContact O-O 3.13Å
76I96.2Very high97.2Very high34 Ų3441.1 Ų41.117%0.17421%0.213CC..Hα-helixtrans-65.6-40.1-179-68.9171.8000111.5L8 I72 D73 N78 N79 I82 Y100L8-I76 HydrophobicContact CB-CD1 4.21Å; I72-I76 HydrophobicContact CG2-CD1 3.69Å; I72-I76 HydrophobicContact CG2-CG1 4.45Å; I72-I76 WeakPolarHBondContact O-CG1 3.31Å; I72-I76 PolarHBondContact O-N 2.96Å; D73-I76 PolarHBondContact O-N 3.42Å; I76-N78 VanDerWaalsContact C-N 3.29Å; I76-N78 PolarHBondContact O-N 3.41Å; I76-N79 PolarHBondContact O-N 3.21Å; I76-I82 HydrophobicContact CG1-CG2 4.31Å; I76-Y100 HydrophobicContact CD1-CE1 3.78Å; I76-Y100 WeakPolarHBondContact CD1-OH 3.49Å
77K95.3Very high96.9Very high163 Ų16339.9 Ų39.971%0.70921%0.214SC*.Hα-helixtrans-62.5-35.7176.3-77.1172.4-176.9174.60112.5D73 E74 S75 N79D73-K77 VanDerWaalsContact O-CB 3.26Å; D73-K77 WeakPolarHBondContact O-CB 3.48Å; D73-K77 WeakPolarHBondContact O-CG 3.4Å; D73-K77 PolarHBondContact O-N 2.77Å; E74-K77 PolarHBondContact O-N 2.99Å; S75-K77 PolarHBondContact O-N 3.16Å; K77-N79 PolarHBondContact O-N 3.46Å; K77-N79 VanDerWaalsContact O-N 3.17Å
78N93.4Very high96.6Very high104 Ų10437.5 Ų37.556%0.55620%0.2SC*.THydrogen-bonded Turntrans-79.416.9175.1-67.5-23.9000112.9E74 S75 I76 S80E74-N78 WeakPolarHBondContact O-CB 3.5Å; E74-N78 VanDerWaalsContact O-CG 3.27Å; E74-N78 PolarHBondContact O-N 2.93Å; E74-N78 PolarHBondContact O-ND2 2.99Å; S75-N78 PolarHBondContact O-N 3.33Å; I76-N78 VanDerWaalsContact C-N 3.29Å; I76-N78 PolarHBondContact O-N 3.41Å; N78-S80 PolarHBondContact O-N 3.42Å; N78-S80 VanDerWaalsContact O-N 3.12Å; N78-S80 PolarHBondContact O-OG 3.4Å
79N90.3Very high96.5Very high153 Ų15337.5 Ų37.582%0.81820%0.2SC*.THydrogen-bonded Turntrans51.136.3-177.9-161.754.9000112.8I76 K77I76-N79 PolarHBondContact O-N 3.21Å; K77-N79 PolarHBondContact O-N 3.46Å; K77-N79 VanDerWaalsContact O-N 3.17Å
80S92.1Very high96.3Very high19 Ų1937.9 Ų37.913%0.13320%0.203CC..  trans-113.3125.7-172.3-64.40000109.5I28 S75 N78I28-S80 WeakPolarHBondContact CD1-OG 3.33Å; I28-S80 VanDerWaalsContact CG1-CB 3.45Å; S75-S80 CarbonylContact C-O 3.6Å; S75-S80 WeakPolarHBondContact O-CA 3.3Å; S75-S80 WeakPolarHBondContact O-CB 3.37Å; S75-S80 PolarHBondContact O-N 3.1Å; S75-S80 VanDerWaalsContact O-O 3.13Å; N78-S80 PolarHBondContact O-N 3.42Å; N78-S80 VanDerWaalsContact O-N 3.12Å; N78-S80 PolarHBondContact O-OG 3.4Å
81N98.4Very high96.3Very high41 Ų4135.2 Ų35.222%0.21918%0.184CC..EExtended strand (participates in β ladder)trans-73.2137.4177.8-61.2-2000109.4G7 N25 G26 I27 I28 S29G7-N81 VanDerWaalsContact CA-OD1 3.3Å; G7-N81 WeakPolarHBondContact CA-OD1 3.41Å; G7-N81 CarbonylContact O-C 3.46Å; G7-N81 VanDerWaalsContact O-CA 3.31Å; G7-N81 WeakPolarHBondContact O-CA 3.24Å; N25-N81 PolarHBondContact O-ND2 3.26Å; G26-N81 WeakPolarHBondContact O-CB 3.19Å; I27-N81 WeakPolarHBondContact CA-O 3.16Å; I27-N81 HydrophobicContact CG1-CB 4.06Å; I28-N81 PolarHBondContact N-O 3Å; S29-N81 PolarHBondContact N-O 3.24Å
82I98.7Very high96.3Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-119.7134.1-178.6-179.5169000111G7 L8 W9 S29 L31 F71 I72 I76 V84G7-I82 PolarHBondContact O-N 3.05Å; L8-I82 HydrophobicContact CD1-CG2 3.81Å; W9-I82 WeakPolarHBondContact CB-O 3.35Å; W9-I82 PolarHBondContact N-O 2.95Å; S29-I82 WeakPolarHBondContact O-CA 3.38Å; L31-I82 HydrophobicContact CB-CD1 4.19Å; F71-I82 HydrophobicContact CD1-CD1 3.6Å; F71-I82 HydrophobicContact CE1-CD1 3.6Å; I72-I82 HydrophobicContact CB-CD1 4.47Å; I72-I82 HydrophobicContact CG1-CD1 4.02Å; I72-I82 HydrophobicContact CG2-CG2 4.33Å; I76-I82 HydrophobicContact CG1-CG2 4.31Å; I82-V84 HydrophobicContact CD1-CG2 4.44Å; I82-V84 HydrophobicContact CG1-CG2 4.38Å
83L98.7Very high96.3Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-91.8121.6163.1174.361.8000110M1 W9 P14 L22 I27 S29 I30 L31 H85M1-L83 HydrophobicContact CE-CB 4.27Å; M1-L83 HydrophobicContact CE-CD1 3.34Å; M1-L83 HydrophobicContact CE-CD2 3.44Å; M1-L83 VanDerWaalsContact CE-CD2 3.44Å; M1-L83 HydrophobicContact CE-CG 3.82Å; M1-L83 HydrophobicContact CG-CD1 3.69Å; M1-L83 HydrophobicContact SD-CD1 3.83Å; W9-L83 HydrophobicContact CB-CD1 4.26Å; P14-L83 HydrophobicContact CB-CD2 4.48Å; P14-L83 HydrophobicContact CG-CD2 4Å; L22-L83 HydrophobicContact CD2-CD2 4Å; I27-L83 HydrophobicContact CD1-CB 4.35Å; I27-L83 HydrophobicContact CG2-CB 3.99Å; S29-L83 PolarHBondContact O-N 3.38Å; I30-L83 CarbonylContact C-O 3.43Å; I30-L83 WeakPolarHBondContact CA-O 3.4Å; I30-L83 HydrophobicContact CG2-CD2 4.3Å; L31-L83 PolarHBondContact N-O 3.3Å; L83-H85 HydrophobicContact CD1-CB 4.28Å; L83-H85 HydrophobicContact CD2-CB 4.13Å; L83-H85 HydrophobicContact CG-CB 4.05Å
84V98.9Very high96.3Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-99.9118.6163.4-172.20000108.1L8 W9 L10 G11 L31 L33 I72 I82 V96 V97L8-V84 HydrophobicContact CD1-CG2 3.79Å; W9-V84 PolarHBondContact O-N 3.19Å; L10-V84 WeakPolarHBondContact CA-O 3.19Å; G11-V84 PolarHBondContact N-O 2.88Å; L31-V84 HydrophobicContact CB-CG1 4.42Å; L31-V84 HydrophobicContact CB-CG2 4.31Å; L31-V84 HydrophobicContact CD2-CG1 4.02Å; L31-V84 HydrophobicContact CD2-CG2 4.29Å; L31-V84 HydrophobicContact CG-CG1 4.34Å; L33-V84 HydrophobicContact CD1-CG1 3.66Å; I72-V84 HydrophobicContact CD1-CG2 3.83Å; I72-V84 HydrophobicContact CG1-CG2 3.92Å; I82-V84 HydrophobicContact CD1-CG2 4.44Å; I82-V84 HydrophobicContact CG1-CG2 4.38Å; V84-V96 HydrophobicContact CG1-CG1 4.31Å; V84-V97 HydrophobicContact CB-CG2 3.81Å; V84-V97 HydrophobicContact CG1-CG2 4.02Å; V84-V97 HydrophobicContact CG2-CG2 4.13Å
85H98.6Very high96.4Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-135.8161.7-177.578.994.3000113.4G11 I30 L31 T32 L33 L38 L83 S93G11-H85 VanDerWaalsContact O-CA 3.31Å; G11-H85 WeakPolarHBondContact O-CA 3.46Å; G11-H85 VanDerWaalsContact O-CB 3.28Å; G11-H85 WeakPolarHBondContact O-CB 3.03Å; I30-H85 WeakPolarHBondContact CG2-CD2 3.42Å; I30-H85 WeakPolarHBondContact CG2-NE2 3.32Å; L31-H85 PolarHBondContact O-CD2 3.41Å; L31-H85 PolarHBondContact O-N 2.78Å; T32-H85 WeakPolarHBondContact CA-NE2 3.29Å; T32-H85 WeakPolarHBondContact CB-NE2 3.31Å; T32-H85 VanDerWaalsContact CG2-CE1 3.49Å; T32-H85 WeakPolarHBondContact CG2-CE1 3.3Å; T32-H85 PolarHBondContact OG1-CE1 2.81Å; T32-H85 PolarHBondContact OG1-NE2 2.8Å; L33-H85 PolarHBondContact N-O 2.88Å; L38-H85 WeakPolarHBondContact CD1-NE2 3.29Å; L83-H85 HydrophobicContact CD1-CB 4.28Å; L83-H85 HydrophobicContact CD2-CB 4.13Å; L83-H85 HydrophobicContact CG-CB 4.05Å; H85-S93 VanDerWaalsContact C-CB 3.41Å
86C97.5Very high96.5Very high1 Ų129 Ų291%0.00715%0.153CC..  trans-138.8-166.3163.5660000106.8P12 M13 L33 M88 G89 R92 S93P12-C86 CarbonylContact C-O 3.57Å; P12-C86 WeakPolarHBondContact CA-O 3.28Å; M13-C86 PolarHBondContact N-O 2.9Å; L33-C86 HydrophobicContact CB-CB 4.44Å; L33-C86 WeakPolarHBondContact O-CA 3.33Å; L33-C86 WeakPolarHBondContact O-CB 3.12Å; C86-M88 PolarHBondContact O-N 2.95Å; C86-G89 PolarHBondContact SG-N 3.42Å; C86-R92 HydrophobicContact CB-CB 3.68Å; C86-S93 PolarHBondContact N-OG 2.92Å; C86-S93 PolarHBondContact SG-OG 3.47Å
87A93.6Very high96.6Very high39 Ų3927.3 Ų27.332%0.32214%0.144SC..SBendtrans-48.5-54.317700000113.1P12 M13 D34 R92P12-A87 WeakPolarHBondContact CA-O 3.41Å; P12-A87 VanDerWaalsContact CB-O 3.32Å; P12-A87 WeakPolarHBondContact CB-O 3.47Å; M13-A87 PolarHBondContact N-O 3.17Å; D34-A87 WeakPolarHBondContact OD2-CA 2.99Å; D34-A87 PolarHBondContact OD2-N 3.15Å; A87-R92 VanDerWaalsContact CB-NH2 3.26Å
88M91.7Very high96.8Very high24 Ų2419.6 Ų19.612%0.11811%0.111CC..SBendtrans-112.4-11.5-171.9-68.8-51.8-44.100115.2C86 V90 R120 T258 S259 D260 W279C86-M88 PolarHBondContact O-N 2.95Å; M88-V90 HydrophobicContact CB-CB 4.32Å; M88-V90 HydrophobicContact CB-CG2 4.02Å; M88-V90 PolarHBondContact O-N 3.46Å; M88-R120 PolarHBondContact O-NH2 2.69Å; M88-T258 WeakPolarHBondContact CE-O 3.45Å; M88-T258 VanDerWaalsContact SD-O 3.37Å; M88-S259 VanDerWaalsContact CE-O 3.31Å; M88-S259 WeakPolarHBondContact CE-O 3.37Å; M88-D260 VanDerWaalsContact CE-O 3.27Å; M88-D260 WeakPolarHBondContact CE-O 3.35Å; M88-W279 HydrophobicContact CE-CD2 4.43Å; M88-W279 HydrophobicContact CE-CG 4.2Å; M88-W279 VanDerWaalsContact CE-NE1 3.27Å; M88-W279 HydrophobicContact CG-CD2 3.85Å; M88-W279 HydrophobicContact CG-CE3 4.16Å; M88-W279 HydrophobicContact CG-CG 4.31Å; M88-W279 HydrophobicContact CG-CH2 4.22Å; M88-W279 HydrophobicContact CG-CZ2 3.9Å; M88-W279 HydrophobicContact CG-CZ3 4.34Å; M88-W279 HydrophobicContact SD-CD2 4.38Å; M88-W279 HydrophobicContact SD-CZ2 3.79Å
89G95.9Very high97Very high0 Ų014.6 Ų14.60%08%0.084CC..SBendtrans66.922.5-173.700000114.4G11 C86 S93 R120G11-G89 WeakPolarHBondContact O-CA 3.45Å; G11-G89 PolarHBondContact O-N 3.45Å; C86-G89 PolarHBondContact SG-N 3.42Å; G89-S93 WeakPolarHBondContact CA-OG 3.42Å; G89-R120 WeakPolarHBondContact O-CD 3.37Å; G89-R120 PolarHBondContact O-NE 3.27Å
90V95.3Very high97.4Very high8 Ų87.5 Ų7.55%0.0485%0.046CC..SBendtrans-107.7-43.3-172.5171.20000112.5M88 A94 I122 F123 V261 W279M88-V90 HydrophobicContact CB-CB 4.32Å; M88-V90 HydrophobicContact CB-CG2 4.02Å; M88-V90 PolarHBondContact O-N 3.46Å; V90-A94 VanDerWaalsContact O-CB 3.23Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-I122 WeakPolarHBondContact O-CA 3.3Å; V90-I122 WeakPolarHBondContact O-CB 3.44Å; V90-F123 HydrophobicContact CG1-CB 3.84Å; V90-F123 CarbonylContact O-C 3.53Å; V90-F123 PolarHBondContact O-N 3.2Å; V90-V261 HydrophobicContact CG2-CB 4.44Å; V90-V261 HydrophobicContact CG2-CG1 3.84Å; V90-V261 HydrophobicContact CG2-CG2 3.95Å; V90-W279 HydrophobicContact CG1-CB 4.48Å; V90-W279 HydrophobicContact CG2-CB 4.03Å
91S97.3Very high97.7Very high6 Ų66.7 Ų6.74%0.0424%0.04CC..SBendtrans-118-72.2-173.3170.80000112.6D55 A94 S95 F123 P124 N125D55-S91 WeakPolarHBondContact OD1-CB 3.5Å; D55-S91 PolarHBondContact OD1-OG 3.5Å; D55-S91 VanDerWaalsContact OD2-CB 3.25Å; D55-S91 WeakPolarHBondContact OD2-CB 3.24Å; S91-A94 PolarHBondContact O-N 2.82Å; S91-S95 WeakPolarHBondContact O-CB 3.44Å; S91-S95 PolarHBondContact O-N 3.47Å; S91-S95 PolarHBondContact O-OG 3.19Å; S91-F123 WeakPolarHBondContact CB-O 3.46Å; S91-P124 WeakPolarHBondContact OG-CA 3.49Å; S91-N125 PolarHBondContact OG-N 2.82Å; S91-N125 VanDerWaalsContact OG-N 3.13Å
92R98.5Very high97.7Very high16 Ų164.7 Ų4.76%0.063%0.029CC..Hα-helixtrans-51.5-63.9-178.1-74.8174-72.3176.88.8114.9L33 D34 L53 D55 C86 A87 A94 S95 V96 F128L33-R92 HydrophobicContact CB-CB 4.45Å; D34-R92 VanDerWaalsContact CG-NH1 3.29Å; D34-R92 IonicContact OD1-CZ 2.74Å; D34-R92 VanDerWaalsContact OD1-CZ 3.32Å; D34-R92 IonicContact OD1-NH1 2.93Å; D34-R92 PolarHBondContact OD1-NH1 2.92Å; D34-R92 IonicContact OD1-NH2 3.86Å; D34-R92 PolarHBondContact OD1-NH2 2.94Å; D34-R92 VanDerWaalsContact OD1-NH2 3.12Å; D34-R92 IonicContact OD2-CZ 3.62Å; D34-R92 IonicContact OD2-NH1 3.1Å; D34-R92 IonicContact OD2-NH2 2.95Å; D34-R92 PolarHBondContact OD2-NH2 3.33Å; D34-R92 VanDerWaalsContact OD2-NH2 3.12Å; L53-R92 HydrophobicContact CD2-CB 3.85Å; L53-R92 HydrophobicContact CD2-CG 3.75Å; L53-R92 HydrophobicContact CG-CG 4.07Å; L53-R92 WeakPolarHBondContact O-CD 2.93Å; L53-R92 PolarHBondContact O-NH1 3.23Å; D55-R92 HydrophobicContact CB-CG 3.88Å; D55-R92 IonicContact OD2-NE 2.69Å; C86-R92 HydrophobicContact CB-CB 3.68Å; A87-R92 VanDerWaalsContact CB-NH2 3.26Å; R92-A94 VanDerWaalsContact C-N 3.33Å; R92-A94 PolarHBondContact O-N 3.34Å; R92-S95 WeakPolarHBondContact O-CB 3.42Å; R92-S95 PolarHBondContact O-N 3.32Å; R92-V96 PolarHBondContact O-N 3.29Å; R92-F128 HydrophobicContact CB-CE2 4.43Å; R92-F128 HydrophobicContact CG-CE2 3.72Å; R92-F128 HydrophobicContact CG-CZ 4.18Å
93S98.7Very high97.7Very high0 Ų07.4 Ų7.40%04%0.04CC..Hα-helixtrans-67.6-33.6-179.952.90000113.2L10 H85 C86 G89 S95 V96 V97L10-S93 VanDerWaalsContact CD1-OG 3.25Å; L10-S93 WeakPolarHBondContact CD1-OG 3.47Å; H85-S93 VanDerWaalsContact C-CB 3.41Å; C86-S93 PolarHBondContact N-OG 2.92Å; C86-S93 PolarHBondContact SG-OG 3.47Å; G89-S93 WeakPolarHBondContact CA-OG 3.42Å; S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.47Å; S93-V96 PolarHBondContact O-N 3.01Å; S93-V97 WeakPolarHBondContact O-CG2 3.45Å; S93-V97 PolarHBondContact O-N 2.97Å
94A98.7Very high97.7Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-60.8-40.4173.200000111.3L10 V90 S91 R92 V96 V97 I98 I122L10-A94 HydrophobicContact CD2-CB 4.09Å; V90-A94 VanDerWaalsContact O-CB 3.23Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; S91-A94 PolarHBondContact O-N 2.82Å; R92-A94 VanDerWaalsContact C-N 3.33Å; R92-A94 PolarHBondContact O-N 3.34Å; A94-V96 PolarHBondContact O-N 3.14Å; A94-V97 PolarHBondContact O-N 3.3Å; A94-I98 WeakPolarHBondContact O-CB 3.23Å; A94-I98 WeakPolarHBondContact O-CD1 3.39Å; A94-I98 WeakPolarHBondContact O-CG1 3.47Å; A94-I98 PolarHBondContact O-N 3.14Å; A94-I122 HydrophobicContact CB-CB 3.91Å; A94-I122 HydrophobicContact CB-CD1 4.49Å; A94-I122 HydrophobicContact CB-CG2 3.61Å
95S98.8Very high97.6Very high0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-62.6-42.9178.1-57.20000111.9S91 R92 S93 I98 A99 P124 F128S91-S95 WeakPolarHBondContact O-CB 3.44Å; S91-S95 PolarHBondContact O-N 3.47Å; S91-S95 PolarHBondContact O-OG 3.19Å; R92-S95 WeakPolarHBondContact O-CB 3.42Å; R92-S95 PolarHBondContact O-N 3.32Å; S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.47Å; S95-I98 PolarHBondContact O-N 3.34Å; S95-A99 PolarHBondContact O-N 2.85Å; S95-P124 WeakPolarHBondContact OG-CB 3.25Å; S95-F128 WeakPolarHBondContact OG-CD2 3.42Å
96V98.9Very high97.6Very high0 Ų023 Ų230%011%0.11CC..Hα-helixtrans-68-41.5176171.10000111.8L31 L33 L61 I64 L65 A68 I72 V84 R92 S93 A94 A99 Y100L31-V96 HydrophobicContact CD2-CG1 4.31Å; L33-V96 HydrophobicContact CD1-CB 3.66Å; L33-V96 HydrophobicContact CD1-CG1 4.09Å; L33-V96 HydrophobicContact CD1-CG2 3.46Å; L33-V96 VanDerWaalsContact CD1-CG2 3.46Å; L33-V96 HydrophobicContact CD2-CG2 3.98Å; L33-V96 HydrophobicContact CG-CG2 4.38Å; L61-V96 HydrophobicContact CD1-CG2 3.9Å; I64-V96 HydrophobicContact CD1-CG2 4.25Å; L65-V96 HydrophobicContact CD1-CG2 4.48Å; A68-V96 HydrophobicContact CB-CG1 3.78Å; A68-V96 HydrophobicContact CB-CG2 4.47Å; I72-V96 HydrophobicContact CD1-CG1 3.78Å; V84-V96 HydrophobicContact CG1-CG1 4.31Å; R92-V96 PolarHBondContact O-N 3.29Å; S93-V96 PolarHBondContact O-N 3.01Å; A94-V96 PolarHBondContact O-N 3.14Å; V96-A99 WeakPolarHBondContact O-CB 3.43Å; V96-A99 PolarHBondContact O-N 2.82Å; V96-Y100 PolarHBondContact O-N 2.96Å
97V98.9Very high97.6Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-64.3-40.6175.6169.10000111.5I4 L8 L10 V84 S93 A94 Y100 L101 V116I4-V97 HydrophobicContact CB-CG1 4.43Å; I4-V97 HydrophobicContact CG1-CG1 4.13Å; I4-V97 HydrophobicContact CG2-CG1 4.15Å; L8-V97 HydrophobicContact CD2-CG1 4.16Å; L10-V97 HydrophobicContact CB-CG2 4.32Å; L10-V97 HydrophobicContact CD1-CG2 4.02Å; V84-V97 HydrophobicContact CB-CG2 3.81Å; V84-V97 HydrophobicContact CG1-CG2 4.02Å; V84-V97 HydrophobicContact CG2-CG2 4.13Å; S93-V97 WeakPolarHBondContact O-CG2 3.45Å; S93-V97 PolarHBondContact O-N 2.97Å; A94-V97 PolarHBondContact O-N 3.3Å; V97-Y100 WeakPolarHBondContact O-CB 3.43Å; V97-Y100 PolarHBondContact O-N 3.25Å; V97-L101 PolarHBondContact O-N 3.33Å; V97-L101 VanDerWaalsContact O-N 3.08Å; V97-V116 HydrophobicContact CG1-CG1 4.36Å; V97-V116 HydrophobicContact CG1-CG2 3.98Å
98I98.9Very high97.7Very high0 Ų023.4 Ų23.40%011%0.108CC..Hα-helixtrans-58.1-52.2172.3-72.7164.2000109.5A94 S95 Y100 L101 M102 Y109 A112 Y113 V116 I122 P124 L132A94-I98 WeakPolarHBondContact O-CB 3.23Å; A94-I98 WeakPolarHBondContact O-CD1 3.39Å; A94-I98 WeakPolarHBondContact O-CG1 3.47Å; A94-I98 PolarHBondContact O-N 3.14Å; S95-I98 PolarHBondContact O-N 3.34Å; I98-Y100 PolarHBondContact O-N 2.95Å; I98-L101 PolarHBondContact O-N 2.75Å; I98-L101 VanDerWaalsContact O-N 3.13Å; I98-M102 HydrophobicContact CG2-CG 4.14Å; I98-M102 HydrophobicContact CG2-SD 3.72Å; I98-M102 VanDerWaalsContact O-CG 3.23Å; I98-M102 WeakPolarHBondContact O-CG 3.38Å; I98-M102 PolarHBondContact O-N 2.92Å; I98-Y109 HydrophobicContact CD1-CE2 4.14Å; I98-Y109 HydrophobicContact CG2-CD2 3.85Å; I98-Y109 HydrophobicContact CG2-CE2 4.1Å; I98-A112 HydrophobicContact CG2-CB 3.87Å; I98-Y113 HydrophobicContact CD1-CD2 3.88Å; I98-V116 HydrophobicContact CG1-CB 4.36Å; I98-V116 HydrophobicContact CG1-CG2 3.89Å; I98-I122 HydrophobicContact CD1-CD1 3.95Å; I98-P124 HydrophobicContact CD1-CG 3.86Å; I98-L132 HydrophobicContact CB-CD1 4.3Å; I98-L132 HydrophobicContact CG2-CD1 3.93Å
99A98.9Very high98Very high0 Ų023.1 Ų23.10%011%0.106CC..Hα-helixtrans-56-38.9178.600000112.8L65 L69 S95 V96 M102 R103 L132 F135L65-A99 HydrophobicContact CD1-CB 3.61Å; L65-A99 HydrophobicContact CD2-CB 4.2Å; L65-A99 HydrophobicContact CG-CB 4.36Å; L69-A99 HydrophobicContact CD2-CB 4.19Å; S95-A99 PolarHBondContact O-N 2.85Å; V96-A99 WeakPolarHBondContact O-CB 3.43Å; V96-A99 PolarHBondContact O-N 2.82Å; A99-M102 WeakPolarHBondContact O-CB 3.4Å; A99-M102 PolarHBondContact O-N 2.89Å; A99-R103 PolarHBondContact O-N 3.12Å; A99-L132 HydrophobicContact CB-CD2 3.51Å; A99-F135 HydrophobicContact CB-CE1 4.32Å
100Y98.8Very high98Very high4 Ų427.1 Ų27.12%0.01612%0.124CC..Hα-helixtrans-62-48.4177-177.9-95.5000112.1I5 L8 L69 I72 D73 I76 V96 V97 I98 M102 R103 R104I5-Y100 HydrophobicContact CD1-CE1 4.12Å; L8-Y100 HydrophobicContact CD2-CD1 3.46Å; L8-Y100 VanDerWaalsContact CD2-CD1 3.46Å; L8-Y100 HydrophobicContact CD2-CE1 3.94Å; L8-Y100 HydrophobicContact CD2-CG 4.29Å; L69-Y100 VanDerWaalsContact CD2-CA 3.49Å; L69-Y100 HydrophobicContact CD2-CD2 4Å; L69-Y100 HydrophobicContact CD2-CG 4.36Å; I72-Y100 HydrophobicContact CB-CD2 3.82Å; I72-Y100 HydrophobicContact CB-CE2 3.91Å; I72-Y100 HydrophobicContact CD1-CD2 4.22Å; I72-Y100 HydrophobicContact CD1-CG 4.37Å; I72-Y100 HydrophobicContact CG2-CD1 4.13Å; I72-Y100 HydrophobicContact CG2-CD2 3.45Å; I72-Y100 VanDerWaalsContact CG2-CD2 3.45Å; I72-Y100 HydrophobicContact CG2-CE1 4.06Å; I72-Y100 HydrophobicContact CG2-CE2 3.38Å; I72-Y100 HydrophobicContact CG2-CG 3.85Å; D73-Y100 WeakPolarHBondContact OD1-CE2 3.37Å; D73-Y100 PolarHBondContact OD1-OH 2.85Å; I76-Y100 HydrophobicContact CD1-CE1 3.78Å; I76-Y100 WeakPolarHBondContact CD1-OH 3.49Å; V96-Y100 PolarHBondContact O-N 2.96Å; V97-Y100 WeakPolarHBondContact O-CB 3.43Å; V97-Y100 PolarHBondContact O-N 3.25Å; I98-Y100 PolarHBondContact O-N 2.95Å; Y100-M102 VanDerWaalsContact C-N 3.32Å; Y100-M102 PolarHBondContact O-N 2.86Å; Y100-R103 PolarHBondContact O-N 3.37Å; Y100-R104 HydrophobicContact CE1-CB 4.37Å; Y100-R104 VanDerWaalsContact O-CB 3.24Å; Y100-R104 WeakPolarHBondContact O-CB 2.95Å; Y100-R104 PolarHBondContact O-N 3.37Å; Y100-R104 PolarHBondContact OH-NH1 3.42Å
101L98.7Very high98.1Very high1 Ų131.5 Ų31.51%0.00514%0.144CC..Hα-helixtrans-64.1-39.1175.6-63.6-175.2000111.9I4 I5 V97 I98 R104 N105 A112 I115 V116I4-L101 HydrophobicContact CG2-CD1 3.92Å; I5-L101 HydrophobicContact CD1-CD2 3.79Å; I5-L101 HydrophobicContact CG1-CD2 4.29Å; I5-L101 HydrophobicContact CG2-CD2 3.94Å; V97-L101 PolarHBondContact O-N 3.33Å; V97-L101 VanDerWaalsContact O-N 3.08Å; I98-L101 PolarHBondContact O-N 2.75Å; I98-L101 VanDerWaalsContact O-N 3.13Å; L101-R104 PolarHBondContact O-N 3.43Å; L101-N105 WeakPolarHBondContact O-CB 3.33Å; L101-N105 PolarHBondContact O-N 3.06Å; L101-A112 HydrophobicContact CB-CB 4.08Å; L101-I115 HydrophobicContact CD1-CB 4.11Å; L101-I115 HydrophobicContact CD1-CG2 3.76Å; L101-V116 HydrophobicContact CD1-CG2 3.61Å
102M98.7Very high98.2Very high0 Ų031.2 Ų31.20%014%0.142CC..Hα-helixtrans-56.5-51.9174.4-66.2172.466.200110.8I98 A99 Y100 H106 L107 A112 L132 F135 H136 W140I98-M102 HydrophobicContact CG2-CG 4.14Å; I98-M102 HydrophobicContact CG2-SD 3.72Å; I98-M102 VanDerWaalsContact O-CG 3.23Å; I98-M102 WeakPolarHBondContact O-CG 3.38Å; I98-M102 PolarHBondContact O-N 2.92Å; A99-M102 WeakPolarHBondContact O-CB 3.4Å; A99-M102 PolarHBondContact O-N 2.89Å; Y100-M102 VanDerWaalsContact C-N 3.32Å; Y100-M102 PolarHBondContact O-N 2.86Å; M102-H106 CarbonylContact O-C 3.22Å; M102-H106 WeakPolarHBondContact O-CA 3.43Å; M102-H106 PolarHBondContact O-N 3.03Å; M102-L107 WeakPolarHBondContact CB-O 3.46Å; M102-L107 PolarHBondContact O-N 2.81Å; M102-A112 HydrophobicContact CG-CB 3.43Å; M102-A112 VanDerWaalsContact CG-CB 3.43Å; M102-L132 VanDerWaalsContact CE-O 3.27Å; M102-L132 WeakPolarHBondContact CE-O 3.34Å; M102-L132 HydrophobicContact SD-CB 4.16Å; M102-L132 HydrophobicContact SD-CD2 4.39Å; M102-F135 HydrophobicContact CE-CD1 4.31Å; M102-H136 HydrophobicContact CE-CB 3.67Å; M102-W140 VanDerWaalsContact O-CD1 3.25Å; M102-W140 PolarHBondContact O-NE1 3.17Å
103R98.3Very high98.2Very high56 Ų5633.2 Ų33.221%0.21115%0.15CC..Hα-helixtrans-65.3-46.7179.8-174167.885.8173.94.9112.7E66 L69 D73 A99 Y100 N105 F135 W140E66-R103 IonicContact OE2-NH1 3.7Å; E66-R103 PolarHBondContact OE2-NH1 3.02Å; L69-R103 HydrophobicContact CD1-CB 4.39Å; D73-R103 IonicContact OD2-CZ 2.7Å; D73-R103 IonicContact OD2-NE 2.75Å; D73-R103 IonicContact OD2-NH2 3.91Å; D73-R103 PolarHBondContact OD2-NH2 2.99Å; A99-R103 PolarHBondContact O-N 3.12Å; Y100-R103 PolarHBondContact O-N 3.37Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 3.18Å; R103-F135 HydrophobicContact CB-CE1 4.24Å; R103-F135 HydrophobicContact CB-CZ 4.16Å; R103-W140 HydrophobicContact CB-CB 3.97Å; R103-W140 WeakPolarHBondContact CD-O 2.99Å; R103-W140 HydrophobicContact CG-CB 4.03Å
104R97.3Very high98.1Very high116 Ų11637 Ų3744%0.43817%0.17SC..Hα-helixtrans-65.3-34.7-175.4179.7173.9174.3165.5-6.7112.9Y100 L101Y100-R104 HydrophobicContact CE1-CB 4.37Å; Y100-R104 VanDerWaalsContact O-CB 3.24Å; Y100-R104 WeakPolarHBondContact O-CB 2.95Å; Y100-R104 PolarHBondContact O-N 3.37Å; Y100-R104 PolarHBondContact OH-NH1 3.42Å; L101-R104 PolarHBondContact O-N 3.43Å
105N97.8Very high98.1Very high83 Ų8339.9 Ų39.944%0.44419%0.185SC..Hα-helixtrans-118.58-171.1-64.8107.4000113.6L101 R103 L107L101-N105 WeakPolarHBondContact O-CB 3.33Å; L101-N105 PolarHBondContact O-N 3.06Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 3.18Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-L107 HydrophobicContact CB-CD1 3.8Å; N105-L107 HydrophobicContact CB-CD2 4.28Å; N105-L107 HydrophobicContact CB-CG 3.66Å; N105-L107 PolarHBondContact O-N 3.09Å
106H97.9Very high98.1Very high128 Ų12839.9 Ų39.959%0.59319%0.185SC*.THydrogen-bonded Turntrans52.745.8-176.8-59.5-66.2000112.9M102 W140M102-H106 CarbonylContact O-C 3.22Å; M102-H106 WeakPolarHBondContact O-CA 3.43Å; M102-H106 PolarHBondContact O-N 3.03Å; H106-W140 VanDerWaalsContact CA-CZ2 3.41Å; H106-W140 HydrophobicContact CB-CE3 4.43Å; H106-W140 HydrophobicContact CB-CH2 3.62Å; H106-W140 HydrophobicContact CB-CZ2 3.82Å; H106-W140 HydrophobicContact CB-CZ3 3.94Å; H106-W140 AromaticContact CG-CZ3 3.97Å; H106-W140 AromaticContact ND1-CD2 3.93Å; H106-W140 AromaticContact ND1-CE3 3.28Å; H106-W140 VanDerWaalsContact ND1-CE3 3.28Å; H106-W140 AromaticContact ND1-CH2 3.93Å; H106-W140 AromaticContact ND1-CZ3 3.3Å; H106-W140 VanDerWaalsContact ND1-CZ3 3.3Å; H106-W140 WeakPolarHBondContact ND1-CZ3 3.3Å; H106-W140 VanDerWaalsContact O-CZ2 3.26Å; H106-W140 WeakPolarHBondContact O-CZ2 3.49Å
107L98.3Very high97.9Very high30 Ų3041.6 Ų41.616%0.15720%0.198CC..  trans-97.3151.6-176.3-58.8175.7000112M102 N105 E111 A112 I115 W140M102-L107 WeakPolarHBondContact CB-O 3.46Å; M102-L107 PolarHBondContact O-N 2.81Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-L107 HydrophobicContact CB-CD1 3.8Å; N105-L107 HydrophobicContact CB-CD2 4.28Å; N105-L107 HydrophobicContact CB-CG 3.66Å; N105-L107 PolarHBondContact O-N 3.09Å; L107-E111 WeakPolarHBondContact CA-OE2 3.09Å; L107-E111 HydrophobicContact CB-CB 3.95Å; L107-E111 HydrophobicContact CD2-CB 4.24Å; L107-E111 HydrophobicContact CG-CB 4.47Å; L107-A112 HydrophobicContact CB-CB 4.35Å; L107-A112 HydrophobicContact CD1-CB 4.41Å; L107-I115 HydrophobicContact CD1-CD1 3.53Å; L107-W140 PolarHBondContact O-NE1 3.31Å
108S95.9Very high97.8Very high20 Ų2051.4 Ų51.414%0.1424%0.235CC..  trans-65.6167164.391.50000111.3E110 E111 A112S108-E110 VanDerWaalsContact C-N 3.32Å; S108-E110 PolarHBondContact O-N 3.25Å; S108-E110 PolarHBondContact OG-N 3.43Å; S108-E110 PolarHBondContact OG-OE2 3.28Å; S108-E111 PolarHBondContact N-OE2 3.37Å; S108-E111 PolarHBondContact O-N 2.9Å; S108-E111 PolarHBondContact OG-N 3.34Å; S108-A112 PolarHBondContact O-N 3.42Å; S108-A112 VanDerWaalsContact O-N 3.11Å
109Y97.1Very high97.8Very high17 Ų1757.1 Ų57.17%0.06726%0.26CS..Hα-helixtrans-57.3-47.2172.6166.3-98.4000111.3I98 E111 A112 Y113 I129 L132 K133I98-Y109 HydrophobicContact CD1-CE2 4.14Å; I98-Y109 HydrophobicContact CG2-CD2 3.85Å; I98-Y109 HydrophobicContact CG2-CE2 4.1Å; Y109-E111 PolarHBondContact O-N 2.98Å; Y109-A112 PolarHBondContact O-N 3.21Å; Y109-Y113 HydrophobicContact CE2-CD2 4.48Å; Y109-Y113 AromaticContact CZ-CD2 3.89Å; Y109-Y113 WeakPolarHBondContact O-CB 3.46Å; Y109-Y113 PolarHBondContact O-N 3.05Å; Y109-Y113 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y113 WeakPolarHBondContact OH-CD2 3.23Å; Y109-I129 HydrophobicContact CD1-CG2 4.09Å; Y109-I129 HydrophobicContact CE1-CG1 4.43Å; Y109-I129 HydrophobicContact CE1-CG2 3.67Å; Y109-I129 HydrophobicContact CE2-CG1 4.21Å; Y109-I129 HydrophobicContact CE2-CG2 4.32Å; Y109-I129 WeakPolarHBondContact OH-CD1 3.25Å; Y109-I129 WeakPolarHBondContact OH-CG1 3.46Å; Y109-L132 HydrophobicContact CD2-CB 3.76Å; Y109-L132 HydrophobicContact CD2-CD1 3.71Å; Y109-L132 HydrophobicContact CD2-CG 4.39Å; Y109-L132 HydrophobicContact CE2-CB 4.46Å; Y109-L132 HydrophobicContact CE2-CD1 3.69Å; Y109-K133 HydrophobicContact CG-CG 4.4Å
110E96.6Very high97.6Very high84 Ų8458.1 Ų58.139%0.39326%0.263SS..Hα-helixtrans-62.9-41.5-177.4-67.673.9-165.900111.8S108 N114 K133S108-E110 VanDerWaalsContact C-N 3.32Å; S108-E110 PolarHBondContact O-N 3.25Å; S108-E110 PolarHBondContact OG-N 3.43Å; S108-E110 PolarHBondContact OG-OE2 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.42Å; E110-N114 PolarHBondContact O-N 3.05Å; E110-N114 PolarHBondContact O-ND2 3.49Å; E110-K133 WeakPolarHBondContact OE1-CE 3.37Å; E110-K133 IonicContact OE1-NZ 3.22Å; E110-K133 PolarHBondContact OE1-NZ 2.96Å
111E97.9Very high97.3Very high100 Ų10060.9 Ų60.947%0.46728%0.283SS..Hα-helixtrans-63.7-49.9177.3-71.3174.8142.600111.5L107 S108 Y109 N114 I115L107-E111 WeakPolarHBondContact CA-OE2 3.09Å; L107-E111 HydrophobicContact CB-CB 3.95Å; L107-E111 HydrophobicContact CD2-CB 4.24Å; L107-E111 HydrophobicContact CG-CB 4.47Å; S108-E111 PolarHBondContact N-OE2 3.37Å; S108-E111 PolarHBondContact O-N 2.9Å; S108-E111 PolarHBondContact OG-N 3.34Å; Y109-E111 PolarHBondContact O-N 2.98Å; E111-N114 PolarHBondContact O-N 3.26Å; E111-I115 WeakPolarHBondContact O-CG1 3.45Å; E111-I115 PolarHBondContact O-N 3.4Å
112A98.6Very high97.2Very high0 Ų061 Ų610%028%0.284CS..Hα-helixtrans-65.6-42177.600000112.1I98 L101 M102 L107 S108 Y109 N114 I115 V116I98-A112 HydrophobicContact CG2-CB 3.87Å; L101-A112 HydrophobicContact CB-CB 4.08Å; M102-A112 HydrophobicContact CG-CB 3.43Å; M102-A112 VanDerWaalsContact CG-CB 3.43Å; L107-A112 HydrophobicContact CB-CB 4.35Å; L107-A112 HydrophobicContact CD1-CB 4.41Å; S108-A112 PolarHBondContact O-N 3.42Å; S108-A112 VanDerWaalsContact O-N 3.11Å; Y109-A112 PolarHBondContact O-N 3.21Å; A112-N114 VanDerWaalsContact C-N 3.3Å; A112-N114 PolarHBondContact O-N 3.16Å; A112-I115 WeakPolarHBondContact O-CB 3.28Å; A112-I115 PolarHBondContact O-N 3.1Å; A112-I115 VanDerWaalsContact O-N 3.12Å; A112-V116 WeakPolarHBondContact O-CG2 3.31Å; A112-V116 PolarHBondContact O-N 3.18Å; A112-V116 VanDerWaalsContact O-N 3.13Å
113Y98.2Very high96.9Very high58 Ų5864.1 Ų64.123%0.22730%0.297CS..Hα-helixtrans-55.6-45.4174.3177.1-89.2000111.3I98 Y109 I115 V116 S117 I122I98-Y113 HydrophobicContact CD1-CD2 3.88Å; Y109-Y113 HydrophobicContact CE2-CD2 4.48Å; Y109-Y113 AromaticContact CZ-CD2 3.89Å; Y109-Y113 WeakPolarHBondContact O-CB 3.46Å; Y109-Y113 PolarHBondContact O-N 3.05Å; Y109-Y113 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y113 WeakPolarHBondContact OH-CD2 3.23Å; Y113-I115 VanDerWaalsContact C-N 3.28Å; Y113-I115 PolarHBondContact O-N 3.07Å; Y113-V116 PolarHBondContact O-N 2.94Å; Y113-S117 VanDerWaalsContact O-CB 3.26Å; Y113-S117 WeakPolarHBondContact O-CB 3.5Å; Y113-S117 PolarHBondContact O-N 3.38Å; Y113-S117 PolarHBondContact O-OG 3.39Å; Y113-I122 HydrophobicContact CD2-CD1 3.79Å; Y113-I122 HydrophobicContact CD2-CG1 4.33Å; Y113-I122 HydrophobicContact CE2-CD1 3.74Å; Y113-I122 HydrophobicContact CE2-CG1 3.74Å; Y113-I122 PolarHBondContact OH-O 3.05Å
114N97.6Very high96.7Very high79 Ų7961.5 Ų61.542%0.42229%0.287SS..Hα-helixtrans-64-30.7178.9-75.2-30.1000113.2E110 E111 A112 S117 R118E110-N114 WeakPolarHBondContact O-CB 3.42Å; E110-N114 PolarHBondContact O-N 3.05Å; E110-N114 PolarHBondContact O-ND2 3.49Å; E111-N114 PolarHBondContact O-N 3.26Å; A112-N114 VanDerWaalsContact C-N 3.3Å; A112-N114 PolarHBondContact O-N 3.16Å; N114-S117 WeakPolarHBondContact CA-OG 3.26Å; N114-S117 PolarHBondContact O-OG 2.99Å; N114-R118 WeakPolarHBondContact O-CD 3.37Å; N114-R118 VanDerWaalsContact O-CG 3.22Å; N114-R118 WeakPolarHBondContact O-CG 3.38Å
115I98.2Very high96.4Very high61 Ų6157 Ų5731%0.31327%0.272SS..Hα-helixtrans-68.8-49.6174.3-65.7167.6000110L101 L107 E111 A112 Y113L101-I115 HydrophobicContact CD1-CB 4.11Å; L101-I115 HydrophobicContact CD1-CG2 3.76Å; L107-I115 HydrophobicContact CD1-CD1 3.53Å; E111-I115 WeakPolarHBondContact O-CG1 3.45Å; E111-I115 PolarHBondContact O-N 3.4Å; A112-I115 WeakPolarHBondContact O-CB 3.28Å; A112-I115 PolarHBondContact O-N 3.1Å; A112-I115 VanDerWaalsContact O-N 3.12Å; Y113-I115 VanDerWaalsContact C-N 3.28Å; Y113-I115 PolarHBondContact O-N 3.07Å
116V98.5Very high95.8Very high0 Ų058.4 Ų58.40%028%0.28CS..Hα-helixtrans-70.1-41.3-176.1-171.70000111.3I4 L10 V97 I98 L101 A112 Y113 R118 K119 R120 I122I4-V116 HydrophobicContact CD1-CG1 3.97Å; I4-V116 HydrophobicContact CG1-CG1 4.46Å; I4-V116 HydrophobicContact CG2-CG2 4.02Å; L10-V116 HydrophobicContact CD2-CG1 3.57Å; V97-V116 HydrophobicContact CG1-CG1 4.36Å; V97-V116 HydrophobicContact CG1-CG2 3.98Å; I98-V116 HydrophobicContact CG1-CB 4.36Å; I98-V116 HydrophobicContact CG1-CG2 3.89Å; L101-V116 HydrophobicContact CD1-CG2 3.61Å; A112-V116 WeakPolarHBondContact O-CG2 3.31Å; A112-V116 PolarHBondContact O-N 3.18Å; A112-V116 VanDerWaalsContact O-N 3.13Å; Y113-V116 PolarHBondContact O-N 2.94Å; V116-R118 VanDerWaalsContact C-N 3.25Å; V116-R118 PolarHBondContact O-N 3.3Å; V116-K119 PolarHBondContact O-N 3.22Å; V116-R120 PolarHBondContact O-N 2.89Å; V116-I122 HydrophobicContact CB-CD1 3.7Å; V116-I122 HydrophobicContact CG1-CD1 3.69Å; V116-I122 HydrophobicContact CG1-CG2 4.22Å
117S95.9Very high95.2Very high37 Ų3752.7 Ų52.726%0.25926%0.256SS..Hα-helixtrans-65.8-24.3-176.866.10000114.1Y113 N114 K119 R120Y113-S117 VanDerWaalsContact O-CB 3.26Å; Y113-S117 WeakPolarHBondContact O-CB 3.5Å; Y113-S117 PolarHBondContact O-N 3.38Å; Y113-S117 PolarHBondContact O-OG 3.39Å; N114-S117 WeakPolarHBondContact CA-OG 3.26Å; N114-S117 PolarHBondContact O-OG 2.99Å; S117-K119 VanDerWaalsContact C-N 3.27Å; S117-K119 PolarHBondContact O-N 3.3Å; S117-R120 CarbonylContact C-O 3.54Å; S117-R120 VanDerWaalsContact CA-O 3.31Å; S117-R120 WeakPolarHBondContact CA-O 3.21Å
118R96.7Very high95.2Very high205 Ų20551.3 Ų51.377%0.77425%0.248SC*.THydrogen-bonded Turntrans-70.8-21.4171.9-73.3171.6-172.7174.24113.6N114 V116N114-R118 WeakPolarHBondContact O-CD 3.37Å; N114-R118 VanDerWaalsContact O-CG 3.22Å; N114-R118 WeakPolarHBondContact O-CG 3.38Å; V116-R118 VanDerWaalsContact C-N 3.25Å; V116-R118 PolarHBondContact O-N 3.3Å
119K97Very high95.1Very high121 Ų12151.7 Ų51.753%0.52625%0.248SC..THydrogen-bonded Turntrans-101.1-32.6-177.3-63.5-68.2-170.6169.10112I4 V116 S117I4-K119 HydrophobicContact CD1-CB 3.58Å; I4-K119 HydrophobicContact CD1-CG 4.26Å; V116-K119 PolarHBondContact O-N 3.22Å; S117-K119 VanDerWaalsContact C-N 3.27Å; S117-K119 PolarHBondContact O-N 3.3Å
120R95.1Very high94.7Very high21 Ų2153.9 Ų53.98%0.07926%0.262CS..SBendtrans-148.5138.3-178.4-175.8175.3-179.772.17.8110.1D2 M88 G89 V116 S117 I122D2-R120 HydrophobicContact CB-CB 4.25Å; D2-R120 VanDerWaalsContact OD2-CD 3.3Å; D2-R120 WeakPolarHBondContact OD2-CD 3.26Å; D2-R120 WeakPolarHBondContact OD2-CG 3.34Å; D2-R120 IonicContact OD2-CZ 3.71Å; D2-R120 IonicContact OD2-NE 3.12Å; D2-R120 IonicContact OD2-NH1 3.32Å; D2-R120 PolarHBondContact OD2-NH1 3.43Å; M88-R120 PolarHBondContact O-NH2 2.69Å; G89-R120 WeakPolarHBondContact O-CD 3.37Å; G89-R120 PolarHBondContact O-NE 3.27Å; V116-R120 PolarHBondContact O-N 2.89Å; S117-R120 CarbonylContact C-O 3.54Å; S117-R120 VanDerWaalsContact CA-O 3.31Å; S117-R120 WeakPolarHBondContact CA-O 3.21Å; R120-I122 HydrophobicContact CB-CG2 4.3Å; R120-I122 HydrophobicContact CG-CG2 4.21Å; R120-I122 PolarHBondContact O-N 2.85Å
121S93.3Very high94.6Very high61 Ų6150 Ų5043%0.42724%0.243SC..  trans-64.2117.3169.7-61.30000110.1
122I95.6Very high94.5Very high4 Ų445.2 Ų45.22%0.02122%0.221CC..  trans-133151-175.359.3171.6000110.9L10 V90 A94 I98 Y113 V116 R120L10-I122 HydrophobicContact CD2-CG2 4.06Å; V90-I122 WeakPolarHBondContact O-CA 3.3Å; V90-I122 WeakPolarHBondContact O-CB 3.44Å; A94-I122 HydrophobicContact CB-CB 3.91Å; A94-I122 HydrophobicContact CB-CD1 4.49Å; A94-I122 HydrophobicContact CB-CG2 3.61Å; I98-I122 HydrophobicContact CD1-CD1 3.95Å; Y113-I122 HydrophobicContact CD2-CD1 3.79Å; Y113-I122 HydrophobicContact CD2-CG1 4.33Å; Y113-I122 HydrophobicContact CE2-CD1 3.74Å; Y113-I122 HydrophobicContact CE2-CG1 3.74Å; Y113-I122 PolarHBondContact OH-O 3.05Å; V116-I122 HydrophobicContact CB-CD1 3.7Å; V116-I122 HydrophobicContact CG1-CD1 3.69Å; V116-I122 HydrophobicContact CG1-CG2 4.22Å; R120-I122 HydrophobicContact CB-CG2 4.3Å; R120-I122 HydrophobicContact CG-CG2 4.21Å; R120-I122 PolarHBondContact O-N 2.85Å
123F92.6Very high94.2Very high65 Ų6548.2 Ų48.229%0.28523%0.234SC..  trans-154.776.2179-160.1-92.8000110.4V90 S91 C280 W289 V291V90-F123 HydrophobicContact CG1-CB 3.84Å; V90-F123 CarbonylContact O-C 3.53Å; V90-F123 PolarHBondContact O-N 3.2Å; S91-F123 WeakPolarHBondContact CB-O 3.46Å; F123-C280 HydrophobicContact CB-CB 4.06Å; F123-W289 AromaticContact CE2-NE1 3.78Å; F123-W289 AromaticContact CZ-NE1 3.97Å; F123-V291 HydrophobicContact CD1-CG1 4.43Å; F123-V291 HydrophobicContact CD1-CG2 3.65Å; F123-V291 HydrophobicContact CE1-CB 4.13Å; F123-V291 HydrophobicContact CE1-CG1 3.67Å; F123-V291 HydrophobicContact CE1-CG2 3.74Å; F123-V291 HydrophobicContact CG-CG2 4.36Å; F123-V291 HydrophobicContact CZ-CG1 4.18Å; F123-V291 HydrophobicContact CZ-CG2 4.5Å
124P95Very high93.7Very high1 Ų146 Ų461%0.00623%0.226CC..  trans-51.6141.1170-2938.8000112.3S91 S95 I98 I129S91-P124 WeakPolarHBondContact OG-CA 3.49Å; S95-P124 WeakPolarHBondContact OG-CB 3.25Å; I98-P124 HydrophobicContact CD1-CG 3.86Å; P124-I129 HydrophobicContact CB-CD1 4.43Å; P124-I129 HydrophobicContact CB-CG1 3.89Å
125N91.4Very high93.6Very high21 Ų2142.2 Ų42.211%0.11221%0.206CC..  trans-66.2154.1171.774.861.2000111.2D55 P57 S91 G127 F128 I129D55-N125 PolarHBondContact OD1-ND2 3.45Å; P57-N125 WeakPolarHBondContact CA-OD1 3.38Å; P57-N125 HydrophobicContact CG-CB 4.41Å; S91-N125 PolarHBondContact OG-N 2.82Å; S91-N125 VanDerWaalsContact OG-N 3.13Å; N125-G127 PolarHBondContact O-N 3.33Å; N125-G127 VanDerWaalsContact O-N 3.15Å; N125-G127 WeakPolarHBondContact OD1-CA 3.43Å; N125-G127 PolarHBondContact OD1-N 3.01Å; N125-F128 WeakPolarHBondContact ND2-CD2 3.46Å; N125-F128 WeakPolarHBondContact ND2-CE2 3.5Å; N125-F128 PolarHBondContact O-N 3.43Å; N125-F128 PolarHBondContact OD1-N 3.28Å; N125-I129 WeakPolarHBondContact O-CG1 3.34Å; N125-I129 PolarHBondContact O-N 2.92Å
126N84.9Confident93.3Very high113 Ų11342.6 Ų42.660%0.60421%0.206SC*.Hα-helixtrans-59.2-30.7-174.9-71.3-33.6000113.7I129 N130N126-I129 PolarHBondContact O-N 3.36Å; N126-N130 WeakPolarHBondContact O-CB 3.28Å; N126-N130 VanDerWaalsContact O-CG 3.23Å; N126-N130 PolarHBondContact O-N 3.33Å; N126-N130 PolarHBondContact O-ND2 2.73Å
127G85.9Confident92.8Very high9 Ų945.3 Ų45.39%0.09322%0.223CC..Hα-helixtrans-64.9-42.717600000112P57 N125 Q131P57-G127 WeakPolarHBondContact O-CA 3.02Å; N125-G127 PolarHBondContact O-N 3.33Å; N125-G127 VanDerWaalsContact O-N 3.15Å; N125-G127 WeakPolarHBondContact OD1-CA 3.43Å; N125-G127 PolarHBondContact OD1-N 3.01Å; G127-Q131 VanDerWaalsContact O-CG 3.24Å; G127-Q131 WeakPolarHBondContact O-CG 3.06Å; G127-Q131 PolarHBondContact O-N 3.49Å; G127-Q131 VanDerWaalsContact O-N 3.1Å; G127-Q131 PolarHBondContact O-NE2 2.61Å
128F96.5Very high92.6Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-66.4-41.3173.1-65.3-16.3000112L53 R54 Q59 L61 R92 S95 N125 N130 Q131 L132L53-F128 HydrophobicContact CD1-CE1 4.3Å; L53-F128 HydrophobicContact CD1-CZ 4.08Å; L53-F128 HydrophobicContact CD2-CE2 4.33Å; L53-F128 HydrophobicContact CD2-CZ 3.97Å; L53-F128 HydrophobicContact CG-CZ 3.97Å; R54-F128 WeakPolarHBondContact O-CZ 3.46Å; Q59-F128 HydrophobicContact CB-CE1 3.95Å; Q59-F128 HydrophobicContact CB-CZ 4.29Å; Q59-F128 HydrophobicContact CG-CE1 4.19Å; Q59-F128 HydrophobicContact CG-CZ 4.38Å; L61-F128 HydrophobicContact CB-CD1 3.7Å; L61-F128 HydrophobicContact CB-CE1 3.89Å; L61-F128 HydrophobicContact CD2-CB 4.08Å; L61-F128 HydrophobicContact CD2-CD1 4.09Å; L61-F128 HydrophobicContact CD2-CG 4.1Å; L61-F128 HydrophobicContact CG-CD1 4.42Å; R92-F128 HydrophobicContact CB-CE2 4.43Å; R92-F128 HydrophobicContact CG-CE2 3.72Å; R92-F128 HydrophobicContact CG-CZ 4.18Å; S95-F128 WeakPolarHBondContact OG-CD2 3.42Å; N125-F128 WeakPolarHBondContact ND2-CD2 3.46Å; N125-F128 WeakPolarHBondContact ND2-CE2 3.5Å; N125-F128 PolarHBondContact O-N 3.43Å; N125-F128 PolarHBondContact OD1-N 3.28Å; F128-N130 VanDerWaalsContact C-N 3.33Å; F128-N130 PolarHBondContact O-N 2.92Å; F128-Q131 WeakPolarHBondContact O-CB 3.29Å; F128-Q131 PolarHBondContact O-N 3.23Å; F128-L132 VanDerWaalsContact O-CG 3.26Å; F128-L132 WeakPolarHBondContact O-CG 3.39Å; F128-L132 PolarHBondContact O-N 2.9Å
129I94.2Very high92.4Very high28 Ų2839.9 Ų39.914%0.14421%0.206CC..Hα-helixtrans-57-48.5176.1-61.7-180000110.8Y109 P124 N125 N126 Q131 L132 K133Y109-I129 HydrophobicContact CD1-CG2 4.09Å; Y109-I129 HydrophobicContact CE1-CG1 4.43Å; Y109-I129 HydrophobicContact CE1-CG2 3.67Å; Y109-I129 HydrophobicContact CE2-CG1 4.21Å; Y109-I129 HydrophobicContact CE2-CG2 4.32Å; Y109-I129 WeakPolarHBondContact OH-CD1 3.25Å; Y109-I129 WeakPolarHBondContact OH-CG1 3.46Å; P124-I129 HydrophobicContact CB-CD1 4.43Å; P124-I129 HydrophobicContact CB-CG1 3.89Å; N125-I129 WeakPolarHBondContact O-CG1 3.34Å; N125-I129 PolarHBondContact O-N 2.92Å; N126-I129 PolarHBondContact O-N 3.36Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 2.81Å; I129-L132 PolarHBondContact O-N 3.24Å; I129-K133 HydrophobicContact CG2-CD 4.4Å; I129-K133 WeakPolarHBondContact O-CG 2.91Å; I129-K133 PolarHBondContact O-N 3.41Å
130N88.2Confident92.4Very high64 Ų6436 Ų3634%0.34219%0.188SC..Hα-helixtrans-61.5-39.7178.8-70.2-19.3000111.9N126 F128 K133 L134N126-N130 WeakPolarHBondContact O-CB 3.28Å; N126-N130 VanDerWaalsContact O-CG 3.23Å; N126-N130 PolarHBondContact O-N 3.33Å; N126-N130 PolarHBondContact O-ND2 2.73Å; F128-N130 VanDerWaalsContact C-N 3.33Å; F128-N130 PolarHBondContact O-N 2.92Å; N130-K133 PolarHBondContact O-N 2.79Å; N130-L134 PolarHBondContact O-N 2.95Å
131Q94.8Very high92.4Very high1 Ų138.2 Ų38.21%0.00520%0.204CC..Hα-helixtrans-65.5-40.1176-75.7176.782.800112.9Q59 D60 L62 G127 F128 I129 K133 L134 F135 Y152Q59-Q131 PolarHBondContact O-NE2 2.79Å; D60-Q131 PolarHBondContact OD1-OE1 2.93Å; L62-Q131 HydrophobicContact CD2-CB 4.23Å; L62-Q131 HydrophobicContact CG-CB 4.13Å; L62-Q131 HydrophobicContact CG-CG 4.23Å; G127-Q131 VanDerWaalsContact O-CG 3.24Å; G127-Q131 WeakPolarHBondContact O-CG 3.06Å; G127-Q131 PolarHBondContact O-N 3.49Å; G127-Q131 VanDerWaalsContact O-N 3.1Å; G127-Q131 PolarHBondContact O-NE2 2.61Å; F128-Q131 WeakPolarHBondContact O-CB 3.29Å; F128-Q131 PolarHBondContact O-N 3.23Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 2.81Å; Q131-K133 VanDerWaalsContact C-N 3.35Å; Q131-L134 WeakPolarHBondContact O-CB 3.48Å; Q131-L134 PolarHBondContact O-N 3.34Å; Q131-F135 WeakPolarHBondContact O-CB 3.47Å; Q131-F135 PolarHBondContact O-N 2.86Å; Q131-Y152 HydrophobicContact CG-CE2 4.07Å; Q131-Y152 WeakPolarHBondContact CG-OH 3.08Å; Q131-Y152 PolarHBondContact OE1-OH 2.55Å; Q131-Y152 VanDerWaalsContact OE1-OH 3.05Å
132L96.4Very high92.4Very high0 Ų036.3 Ų36.30%019%0.19CC..Hα-helixtrans-66.9-37175.9-66.7172000111.7L61 I98 A99 M102 Y109 F128 I129 F135 H136L61-L132 HydrophobicContact CD2-CD2 4.13Å; L61-L132 HydrophobicContact CD2-CG 4.28Å; I98-L132 HydrophobicContact CB-CD1 4.3Å; I98-L132 HydrophobicContact CG2-CD1 3.93Å; A99-L132 HydrophobicContact CB-CD2 3.51Å; M102-L132 VanDerWaalsContact CE-O 3.27Å; M102-L132 WeakPolarHBondContact CE-O 3.34Å; M102-L132 HydrophobicContact SD-CB 4.16Å; M102-L132 HydrophobicContact SD-CD2 4.39Å; Y109-L132 HydrophobicContact CD2-CB 3.76Å; Y109-L132 HydrophobicContact CD2-CD1 3.71Å; Y109-L132 HydrophobicContact CD2-CG 4.39Å; Y109-L132 HydrophobicContact CE2-CB 4.46Å; Y109-L132 HydrophobicContact CE2-CD1 3.69Å; F128-L132 VanDerWaalsContact O-CG 3.26Å; F128-L132 WeakPolarHBondContact O-CG 3.39Å; F128-L132 PolarHBondContact O-N 2.9Å; I129-L132 PolarHBondContact O-N 3.24Å; L132-F135 WeakPolarHBondContact O-CB 3.35Å; L132-F135 PolarHBondContact O-N 2.84Å; L132-H136 PolarHBondContact O-N 3.17Å
133K92Very high91.9Very high63 Ų6339.8 Ų39.827%0.27421%0.209SC..Hα-helixtrans-65.8-38.6172-69-177.5177.4-152.40112.3Y109 E110 I129 N130 Q131 H136 T137 V227Y109-K133 HydrophobicContact CG-CG 4.4Å; E110-K133 WeakPolarHBondContact OE1-CE 3.37Å; E110-K133 IonicContact OE1-NZ 3.22Å; E110-K133 PolarHBondContact OE1-NZ 2.96Å; I129-K133 HydrophobicContact CG2-CD 4.4Å; I129-K133 WeakPolarHBondContact O-CG 2.91Å; I129-K133 PolarHBondContact O-N 3.41Å; N130-K133 PolarHBondContact O-N 2.79Å; Q131-K133 VanDerWaalsContact C-N 3.35Å; K133-H136 WeakPolarHBondContact O-CB 3.34Å; K133-H136 PolarHBondContact O-N 2.96Å; K133-T137 PolarHBondContact O-N 3.04Å; K133-T137 PolarHBondContact O-OG1 3.16Å; K133-V227 HydrophobicContact CD-CG1 4.44Å
134L88.4Confident91.7Very high12 Ų1243.9 Ų43.96%0.06322%0.222CC..Hα-helixtrans-63.7-43.3171.9-179.758.7000111.1L62 N130 Q131 H136 T137 M138 L148 Y152L62-L134 HydrophobicContact CD1-CD2 3.89Å; L62-L134 HydrophobicContact CD1-CG 4.45Å; N130-L134 PolarHBondContact O-N 2.95Å; Q131-L134 WeakPolarHBondContact O-CB 3.48Å; Q131-L134 PolarHBondContact O-N 3.34Å; L134-H136 VanDerWaalsContact C-N 3.33Å; L134-H136 PolarHBondContact O-N 3.41Å; L134-T137 CarbonylContact O-C 3.42Å; L134-T137 WeakPolarHBondContact O-CA 3.25Å; L134-T137 WeakPolarHBondContact O-CB 3.19Å; L134-T137 PolarHBondContact O-N 3.43Å; L134-M138 HydrophobicContact CD1-CG 4.31Å; L134-M138 HydrophobicContact CD1-SD 4.45Å; L134-M138 HydrophobicContact CG-CE 4.05Å; L134-M138 HydrophobicContact CG-SD 4.28Å; L134-M138 WeakPolarHBondContact O-CG 3.47Å; L134-M138 PolarHBondContact O-N 3.07Å; L134-L148 HydrophobicContact CD1-CB 4.13Å; L134-Y152 VanDerWaalsContact CD2-CB 3.47Å; L134-Y152 HydrophobicContact CD2-CD1 3.67Å; L134-Y152 HydrophobicContact CD2-CD2 3.55Å; L134-Y152 HydrophobicContact CD2-CE1 4.26Å; L134-Y152 HydrophobicContact CD2-CE2 4.14Å; L134-Y152 HydrophobicContact CD2-CG 3.27Å
135F94.9Very high91.3Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-57.1-43.2174.6178.6-113.2000112.4L62 L65 L69 A99 M102 R103 Q131 L132 T137 M138 N139 W140 V142L62-F135 HydrophobicContact CD2-CB 4.2Å; L65-F135 HydrophobicContact CD2-CB 4.45Å; L65-F135 HydrophobicContact CD2-CD1 4.3Å; L65-F135 HydrophobicContact CD2-CD2 3.71Å; L65-F135 HydrophobicContact CD2-CE1 4.45Å; L65-F135 HydrophobicContact CD2-CE2 3.86Å; L65-F135 HydrophobicContact CD2-CG 3.92Å; L65-F135 HydrophobicContact CD2-CZ 4.23Å; L69-F135 HydrophobicContact CD1-CE1 4.42Å; L69-F135 HydrophobicContact CD1-CE2 4.42Å; L69-F135 HydrophobicContact CD1-CZ 3.72Å; A99-F135 HydrophobicContact CB-CE1 4.32Å; M102-F135 HydrophobicContact CE-CD1 4.31Å; R103-F135 HydrophobicContact CB-CE1 4.24Å; R103-F135 HydrophobicContact CB-CZ 4.16Å; Q131-F135 WeakPolarHBondContact O-CB 3.47Å; Q131-F135 PolarHBondContact O-N 2.86Å; L132-F135 WeakPolarHBondContact O-CB 3.35Å; L132-F135 PolarHBondContact O-N 2.84Å; F135-T137 PolarHBondContact O-N 3.07Å; F135-M138 CarbonylContact O-C 3.6Å; F135-M138 PolarHBondContact O-N 3.29Å; F135-N139 PolarHBondContact O-N 3.17Å; F135-W140 HydrophobicContact CD1-CB 4.45Å; F135-W140 HydrophobicContact CE1-CB 3.81Å; F135-W140 HydrophobicContact CE1-CG 4.37Å; F135-W140 WeakPolarHBondContact CE2-O 3.41Å; F135-W140 VanDerWaalsContact CZ-CA 3.46Å; F135-W140 HydrophobicContact CZ-CB 3.87Å; F135-W140 WeakPolarHBondContact CZ-O 3.45Å; F135-W140 WeakPolarHBondContact O-CA 3.49Å; F135-W140 PolarHBondContact O-N 3.15Å; F135-V142 HydrophobicContact CD2-CG2 3.88Å; F135-V142 HydrophobicContact CE2-CG2 4.02Å
136H92Very high90.8Very high68 Ų6850 Ų5032%0.31526%0.257SS..Hα-helixtrans-58.1-45.8171179.6-138.9000112M102 L132 K133 L134 M138 N139 W140M102-H136 HydrophobicContact CE-CB 3.67Å; L132-H136 PolarHBondContact O-N 3.17Å; K133-H136 WeakPolarHBondContact O-CB 3.34Å; K133-H136 PolarHBondContact O-N 2.96Å; L134-H136 VanDerWaalsContact C-N 3.33Å; L134-H136 PolarHBondContact O-N 3.41Å; H136-M138 PolarHBondContact O-N 3.36Å; H136-N139 PolarHBondContact O-N 3.49Å; H136-W140 AromaticContact CD2-CE2 3.54Å; H136-W140 AromaticContact CD2-CZ2 3.34Å; H136-W140 WeakPolarHBondContact CD2-CZ2 3.24Å; H136-W140 AromaticContact CD2-NE1 3.6Å; H136-W140 AromaticContact NE2-CZ2 3.6Å
137T88.5Confident90.6Very high58 Ų5849.4 Ų49.436%0.35626%0.259SS..Hα-helixtrans-65.5-27.1178.9-46.40000112.4K133 L134 F135 N139 L148 V224K133-T137 PolarHBondContact O-N 3.04Å; K133-T137 PolarHBondContact O-OG1 3.16Å; L134-T137 CarbonylContact O-C 3.42Å; L134-T137 WeakPolarHBondContact O-CA 3.25Å; L134-T137 WeakPolarHBondContact O-CB 3.19Å; L134-T137 PolarHBondContact O-N 3.43Å; F135-T137 PolarHBondContact O-N 3.07Å; T137-N139 PolarHBondContact O-N 3.03Å; T137-L148 HydrophobicContact CG2-CD1 3.56Å; T137-V224 HydrophobicContact CG2-CG2 3.79Å
138M90.4Very high90.2Very high10 Ų1051.3 Ų51.35%0.04927%0.267CS..THydrogen-bonded Turntrans-87.723.1172.6-60.9-174.1-57.100112.9L62 L134 F135 H136 W140 T141 L148 F149L62-M138 HydrophobicContact CD1-CE 4.13Å; L134-M138 HydrophobicContact CD1-CG 4.31Å; L134-M138 HydrophobicContact CD1-SD 4.45Å; L134-M138 HydrophobicContact CG-CE 4.05Å; L134-M138 HydrophobicContact CG-SD 4.28Å; L134-M138 WeakPolarHBondContact O-CG 3.47Å; L134-M138 PolarHBondContact O-N 3.07Å; F135-M138 CarbonylContact O-C 3.6Å; F135-M138 PolarHBondContact O-N 3.29Å; H136-M138 PolarHBondContact O-N 3.36Å; M138-W140 VanDerWaalsContact C-N 3.32Å; M138-W140 PolarHBondContact O-N 3.09Å; M138-T141 WeakPolarHBondContact CB-O 3.06Å; M138-T141 PolarHBondContact O-N 2.92Å; M138-T141 PolarHBondContact O-OG1 3.27Å; M138-L148 HydrophobicContact CG-CB 4.47Å; M138-F149 HydrophobicContact CE-CD2 4.26Å; M138-F149 HydrophobicContact SD-CB 3.89Å; M138-F149 HydrophobicContact SD-CD2 4.12Å
139N93.9Very high89.3Confident118 Ų11851.9 Ų51.963%0.63127%0.269SS*.THydrogen-bonded Turntrans54.942.4-179.9-59.6-38.3000113.6F135 H136 T137 T141F135-N139 PolarHBondContact O-N 3.17Å; H136-N139 PolarHBondContact O-N 3.49Å; T137-N139 PolarHBondContact O-N 3.03Å; N139-T141 PolarHBondContact O-N 3.03Å
140W96.8Very high88.7Confident38 Ų3855.4 Ų55.414%0.14429%0.285CS..THydrogen-bonded Turntrans58.931.3177.9-47.2-83.8000114.4M102 R103 H106 L107 F135 H136 M138M102-W140 VanDerWaalsContact O-CD1 3.25Å; M102-W140 PolarHBondContact O-NE1 3.17Å; R103-W140 HydrophobicContact CB-CB 3.97Å; R103-W140 WeakPolarHBondContact CD-O 2.99Å; R103-W140 HydrophobicContact CG-CB 4.03Å; H106-W140 VanDerWaalsContact CA-CZ2 3.41Å; H106-W140 HydrophobicContact CB-CE3 4.43Å; H106-W140 HydrophobicContact CB-CH2 3.62Å; H106-W140 HydrophobicContact CB-CZ2 3.82Å; H106-W140 HydrophobicContact CB-CZ3 3.94Å; H106-W140 AromaticContact CG-CZ3 3.97Å; H106-W140 AromaticContact ND1-CD2 3.93Å; H106-W140 AromaticContact ND1-CE3 3.28Å; H106-W140 VanDerWaalsContact ND1-CE3 3.28Å; H106-W140 AromaticContact ND1-CH2 3.93Å; H106-W140 AromaticContact ND1-CZ3 3.3Å; H106-W140 VanDerWaalsContact ND1-CZ3 3.3Å; H106-W140 WeakPolarHBondContact ND1-CZ3 3.3Å; H106-W140 VanDerWaalsContact O-CZ2 3.26Å; H106-W140 WeakPolarHBondContact O-CZ2 3.49Å; L107-W140 PolarHBondContact O-NE1 3.31Å; F135-W140 HydrophobicContact CD1-CB 4.45Å; F135-W140 HydrophobicContact CE1-CB 3.81Å; F135-W140 HydrophobicContact CE1-CG 4.37Å; F135-W140 WeakPolarHBondContact CE2-O 3.41Å; F135-W140 VanDerWaalsContact CZ-CA 3.46Å; F135-W140 HydrophobicContact CZ-CB 3.87Å; F135-W140 WeakPolarHBondContact CZ-O 3.45Å; F135-W140 WeakPolarHBondContact O-CA 3.49Å; F135-W140 PolarHBondContact O-N 3.15Å; H136-W140 AromaticContact CD2-CE2 3.54Å; H136-W140 AromaticContact CD2-CZ2 3.34Å; H136-W140 WeakPolarHBondContact CD2-CZ2 3.24Å; H136-W140 AromaticContact CD2-NE1 3.6Å; H136-W140 AromaticContact NE2-CZ2 3.6Å; M138-W140 VanDerWaalsContact C-N 3.32Å; M138-W140 PolarHBondContact O-N 3.09Å
141T94.6Very high88Confident69 Ų6956.2 Ų56.242%0.42329%0.286SS..SBendtrans-134.7140.7172.561.10000109.9E66 M138 N139 N143E66-T141 WeakPolarHBondContact OE1-CA 3.27Å; M138-T141 WeakPolarHBondContact CB-O 3.06Å; M138-T141 PolarHBondContact O-N 2.92Å; M138-T141 PolarHBondContact O-OG1 3.27Å; N139-T141 PolarHBondContact O-N 3.03Å; T141-N143 PolarHBondContact O-N 3.4Å
142V92.8Very high87.3Confident20 Ų2057.1 Ų57.112%0.12129%0.29CS..  trans-88.180.3173-172.10000109.2L62 L65 E66 F135 R144 F149L62-V142 HydrophobicContact CB-CG1 4.08Å; L62-V142 HydrophobicContact CB-CG2 4.44Å; L62-V142 HydrophobicContact CD2-CG2 4.15Å; L65-V142 HydrophobicContact CB-CG2 4.14Å; L65-V142 HydrophobicContact CD2-CG2 4.11Å; E66-V142 HydrophobicContact CG-CB 3.85Å; E66-V142 HydrophobicContact CG-CG2 4.04Å; E66-V142 PolarHBondContact OE1-N 2.87Å; F135-V142 HydrophobicContact CD2-CG2 3.88Å; F135-V142 HydrophobicContact CE2-CG2 4.02Å; V142-R144 HydrophobicContact CG1-CG 4.47Å; V142-R144 PolarHBondContact O-N 2.68Å; V142-F149 HydrophobicContact CG1-CD2 4.12Å; V142-F149 HydrophobicContact CG1-CE2 3.73Å
143N86.7Confident86.4Confident77 Ų7759.9 Ų59.941%0.41230%0.304SS..  trans-83.4107171.5-178.1-3.1000110.5T141 D145 S146 F149T141-N143 PolarHBondContact O-N 3.4Å; N143-D145 PolarHBondContact O-N 3.05Å; N143-D145 WeakPolarHBondContact OD1-CB 3.45Å; N143-D145 PolarHBondContact OD1-N 3.22Å; N143-S146 WeakPolarHBondContact O-CB 3.47Å; N143-S146 PolarHBondContact O-N 3.18Å; N143-S146 VanDerWaalsContact O-N 3.16Å; N143-S146 PolarHBondContact OD1-N 3.31Å; N143-F149 VanDerWaalsContact O-CB 3.28Å; N143-F149 WeakPolarHBondContact O-CB 3.1Å
144R87.7Confident85.4Confident152 Ų15261.5 Ų61.557%0.57432%0.319SS*.THydrogen-bonded Turntrans-70.2-18.2-179.3-63.3-138.1-78.3-1086.5114.5V142 S146 F149V142-R144 HydrophobicContact CG1-CG 4.47Å; V142-R144 PolarHBondContact O-N 2.68Å; R144-S146 VanDerWaalsContact C-N 3.35Å; R144-F149 HydrophobicContact CB-CD1 4.03Å; R144-F149 HydrophobicContact CB-CE1 3.94Å; R144-F149 HydrophobicContact CG-CD1 4.2Å; R144-F149 HydrophobicContact CG-CE1 3.74Å; R144-F149 HydrophobicContact CG-CE2 4.3Å; R144-F149 HydrophobicContact CG-CZ 3.81Å; R144-F149 WeakPolarHBondContact O-CD1 3.31Å
145D86.5Confident84.6Confident130 Ų13065 Ų6570%0.69533%0.334SS*.THydrogen-bonded Turntrans-89.3-5.5176.1-56.3-46.3000112.4N143N143-D145 PolarHBondContact O-N 3.05Å; N143-D145 WeakPolarHBondContact OD1-CB 3.45Å; N143-D145 PolarHBondContact OD1-N 3.22Å
146S81.3Confident83.6Confident21 Ų2167.4 Ų67.415%0.14734%0.343CS..SBendtrans-63.1134.3175.9175.80000110.7N143 R144 L148 F149 Q150N143-S146 WeakPolarHBondContact O-CB 3.47Å; N143-S146 PolarHBondContact O-N 3.18Å; N143-S146 VanDerWaalsContact O-N 3.16Å; N143-S146 PolarHBondContact OD1-N 3.31Å; R144-S146 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 3.28Å; S146-L148 VanDerWaalsContact O-N 3.1Å; S146-L148 PolarHBondContact OG-N 2.96Å; S146-F149 WeakPolarHBondContact O-CB 3.32Å; S146-F149 PolarHBondContact O-N 3.2Å; S146-Q150 PolarHBondContact O-N 2.82Å
147P79.2Confident82.5Confident99 Ų9967.6 Ų67.664%0.64335%0.349SS*.Hα-helixtrans-53.7-32172.6-27.134.7000113.1Q151P147-Q151 WeakPolarHBondContact O-CB 3.44Å; P147-Q151 PolarHBondContact O-N 2.58Å
148L77.7Confident81.4Confident50 Ų5071.7 Ų71.726%0.26236%0.362SS..Hα-helixtrans-67.6-43176.8-64.4-178.5000112L134 T137 M138 S146 Y152 V224L134-L148 HydrophobicContact CD1-CB 4.13Å; T137-L148 HydrophobicContact CG2-CD1 3.56Å; M138-L148 HydrophobicContact CG-CB 4.47Å; S146-L148 PolarHBondContact O-N 3.28Å; S146-L148 VanDerWaalsContact O-N 3.1Å; S146-L148 PolarHBondContact OG-N 2.96Å; L148-Y152 WeakPolarHBondContact O-CB 3.45Å; L148-Y152 PolarHBondContact O-N 3.42Å; L148-V224 HydrophobicContact CD1-CG2 4.49Å; L148-V224 HydrophobicContact CD2-CG2 3.93Å
149F79.1Confident79.9Confident12 Ų1273.9 Ų73.95%0.05338%0.378CS..Hα-helixtrans-65.9-46.1177.4-173-88.1000110.5L62 M138 V142 N143 R144 S146 Q151 Y152 M153L62-F149 HydrophobicContact CB-CE2 4.11Å; L62-F149 HydrophobicContact CD1-CD2 4.17Å; L62-F149 HydrophobicContact CD1-CE2 3.95Å; M138-F149 HydrophobicContact CE-CD2 4.26Å; M138-F149 HydrophobicContact SD-CB 3.89Å; M138-F149 HydrophobicContact SD-CD2 4.12Å; V142-F149 HydrophobicContact CG1-CD2 4.12Å; V142-F149 HydrophobicContact CG1-CE2 3.73Å; N143-F149 VanDerWaalsContact O-CB 3.28Å; N143-F149 WeakPolarHBondContact O-CB 3.1Å; R144-F149 HydrophobicContact CB-CD1 4.03Å; R144-F149 HydrophobicContact CB-CE1 3.94Å; R144-F149 HydrophobicContact CG-CD1 4.2Å; R144-F149 HydrophobicContact CG-CE1 3.74Å; R144-F149 HydrophobicContact CG-CE2 4.3Å; R144-F149 HydrophobicContact CG-CZ 3.81Å; R144-F149 WeakPolarHBondContact O-CD1 3.31Å; S146-F149 WeakPolarHBondContact O-CB 3.32Å; S146-F149 PolarHBondContact O-N 3.2Å; F149-Q151 PolarHBondContact O-N 2.95Å; F149-Y152 WeakPolarHBondContact O-CB 3.47Å; F149-Y152 PolarHBondContact O-N 3Å; F149-M153 HydrophobicContact CD1-CG 3.74Å; F149-M153 HydrophobicContact CE1-CG 3.33Å; F149-M153 HydrophobicContact CE1-SD 4.01Å; F149-M153 HydrophobicContact CZ-CG 3.81Å; F149-M153 HydrophobicContact CZ-SD 3.87Å; F149-M153 WeakPolarHBondContact O-CG 3.4Å; F149-M153 PolarHBondContact O-N 3.13Å
150Q80.2Confident78.2Confident102 Ų10272 Ų7248%0.47737%0.371SS..Hα-helixtrans-58.9-46.3177.6-68.3178.6-9.700111.7S146 Y152 M153 T154S146-Q150 PolarHBondContact O-N 2.82Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 2.97Å; Q150-M153 PolarHBondContact O-N 3.05Å; Q150-T154 PolarHBondContact O-N 3.44Å; Q150-T154 PolarHBondContact O-OG1 2.92Å; Q150-T154 VanDerWaalsContact O-OG1 3.07Å
151Q75.1Confident75.8Confident80 Ų8076.2 Ų76.237%0.37439%0.39SS..Hα-helixtrans-61.1-41.8176.9-173.3-176.310.900112.4P147 F149 K155P147-Q151 WeakPolarHBondContact O-CB 3.44Å; P147-Q151 PolarHBondContact O-N 2.58Å; F149-Q151 PolarHBondContact O-N 2.95Å; Q151-K155 PolarHBondContact O-N 2.85Å
152Y78.9Confident73.5Confident21 Ų2176.2 Ų76.28%0.08239%0.39CS..Hα-helixtrans-62-46175.9164.8-101.4000111.8L62 Q131 L134 L148 F149 Q150 K155 R156L62-Y152 HydrophobicContact CD1-CD1 4.2Å; L62-Y152 HydrophobicContact CD1-CE1 3.76Å; Q131-Y152 HydrophobicContact CG-CE2 4.07Å; Q131-Y152 WeakPolarHBondContact CG-OH 3.08Å; Q131-Y152 PolarHBondContact OE1-OH 2.55Å; Q131-Y152 VanDerWaalsContact OE1-OH 3.05Å; L134-Y152 VanDerWaalsContact CD2-CB 3.47Å; L134-Y152 HydrophobicContact CD2-CD1 3.67Å; L134-Y152 HydrophobicContact CD2-CD2 3.55Å; L134-Y152 HydrophobicContact CD2-CE1 4.26Å; L134-Y152 HydrophobicContact CD2-CE2 4.14Å; L134-Y152 HydrophobicContact CD2-CG 3.27Å; L148-Y152 WeakPolarHBondContact O-CB 3.45Å; L148-Y152 PolarHBondContact O-N 3.42Å; F149-Y152 WeakPolarHBondContact O-CB 3.47Å; F149-Y152 PolarHBondContact O-N 3Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 2.97Å; Y152-K155 PolarHBondContact O-N 2.99Å; Y152-R156 HydrophobicContact CE2-CG 4.16Å; Y152-R156 PolarHBondContact O-N 2.87Å; Y152-R156 WeakPolarHBondContact OH-CD 3.35Å; Y152-R156 VanDerWaalsContact OH-CZ 3.24Å; Y152-R156 PolarHBondContact OH-NE 3.35Å; Y152-R156 VanDerWaalsContact OH-NE 3.17Å; Y152-R156 PolarHBondContact OH-NH1 3.23Å
153M77.6Confident71.4Confident58 Ų5880.5 Ų80.529%0.28641%0.413SS..Hα-helixtrans-63.6-46178.7-69.4-54.9-71.700112.1F149 Q150 K155 R156 T157F149-M153 HydrophobicContact CD1-CG 3.74Å; F149-M153 HydrophobicContact CE1-CG 3.33Å; F149-M153 HydrophobicContact CE1-SD 4.01Å; F149-M153 HydrophobicContact CZ-CG 3.81Å; F149-M153 HydrophobicContact CZ-SD 3.87Å; F149-M153 WeakPolarHBondContact O-CG 3.4Å; F149-M153 PolarHBondContact O-N 3.13Å; Q150-M153 PolarHBondContact O-N 3.05Å; M153-K155 VanDerWaalsContact C-N 3.29Å; M153-K155 PolarHBondContact O-N 2.91Å; M153-R156 PolarHBondContact O-N 3.35Å; M153-R156 VanDerWaalsContact O-N 3.16Å; M153-T157 WeakPolarHBondContact O-CB 3.38Å; M153-T157 PolarHBondContact O-N 3.31Å; M153-T157 PolarHBondContact O-OG1 3.46Å; M153-T157 VanDerWaalsContact O-OG1 3.09Å
154T72Confident69.3Low97 Ų9786.3 Ų86.360%0.59543%0.43SS*.Hα-helixtrans-55.6-44.2177.2-57.30000111.7Q150 F158Q150-T154 PolarHBondContact O-N 3.44Å; Q150-T154 PolarHBondContact O-OG1 2.92Å; Q150-T154 VanDerWaalsContact O-OG1 3.07Å; T154-F158 WeakPolarHBondContact O-CB 3.39Å; T154-F158 PolarHBondContact O-N 2.94Å
155K69.8Low66.9Low85 Ų8585.8 Ų85.837%0.3744%0.439SS..Hα-helixtrans-66.7-39.8178.8-75.3-176.8176.1-175.70112.8Q151 Y152 M153 F158 S159 L228Q151-K155 PolarHBondContact O-N 2.85Å; Y152-K155 PolarHBondContact O-N 2.99Å; M153-K155 VanDerWaalsContact C-N 3.29Å; M153-K155 PolarHBondContact O-N 2.91Å; K155-F158 PolarHBondContact O-N 3.47Å; K155-S159 PolarHBondContact O-N 3.04Å; K155-L228 HydrophobicContact CD-CD1 4.11Å
156R74.5Confident64.5Low51 Ų5181.1 Ų81.119%0.19242%0.421CS..Hα-helixtrans-64.6-47177.1-80.4174.459.789.97112S58 Y152 M153 F158 S159 V160S58-R156 PolarHBondContact O-NH2 2.87Å; Y152-R156 HydrophobicContact CE2-CG 4.16Å; Y152-R156 PolarHBondContact O-N 2.87Å; Y152-R156 WeakPolarHBondContact OH-CD 3.35Å; Y152-R156 VanDerWaalsContact OH-CZ 3.24Å; Y152-R156 PolarHBondContact OH-NE 3.35Å; Y152-R156 VanDerWaalsContact OH-NE 3.17Å; Y152-R156 PolarHBondContact OH-NH1 3.23Å; M153-R156 PolarHBondContact O-N 3.35Å; M153-R156 VanDerWaalsContact O-N 3.16Å; R156-F158 PolarHBondContact O-N 3.31Å; R156-S159 PolarHBondContact O-N 2.77Å; R156-V160 WeakPolarHBondContact O-CG2 3.33Å; R156-V160 PolarHBondContact O-N 2.9Å
157T68.3Low62.4Low71 Ų7185.7 Ų85.744%0.43644%0.444SS..Hα-helixtrans-55.5-44.1173.6-60.30000110.5M153 V160 F161M153-T157 WeakPolarHBondContact O-CB 3.38Å; M153-T157 PolarHBondContact O-N 3.31Å; M153-T157 PolarHBondContact O-OG1 3.46Å; M153-T157 VanDerWaalsContact O-OG1 3.09Å; T157-V160 PolarHBondContact O-N 2.88Å; T157-F161 HydrophobicContact CG2-CD2 3.81Å; T157-F161 HydrophobicContact CG2-CE2 3.4Å; T157-F161 HydrophobicContact CG2-CZ 4.5Å; T157-F161 WeakPolarHBondContact O-CD2 3.18Å; T157-F161 PolarHBondContact O-N 2.81Å; T157-F161 VanDerWaalsContact O-N 3.09Å
158F65.6Low60.2Low144 Ų14489.7 Ų89.763%0.63246%0.459SS*.Hα-helixtrans-65.1-42.5177.3-143.3-84.8000113.4T154 K155 R156 V160 F161 T162T154-F158 WeakPolarHBondContact O-CB 3.39Å; T154-F158 PolarHBondContact O-N 2.94Å; K155-F158 PolarHBondContact O-N 3.47Å; R156-F158 PolarHBondContact O-N 3.31Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 2.82Å; F158-F161 WeakPolarHBondContact O-CB 3.38Å; F158-F161 PolarHBondContact O-N 3.34Å; F158-F161 VanDerWaalsContact O-N 3.16Å; F158-T162 HydrophobicContact CD1-CG2 3.99Å; F158-T162 HydrophobicContact CE1-CG2 4.12Å; F158-T162 PolarHBondContact O-N 3.24Å; F158-T162 PolarHBondContact O-OG1 2.87Å
159S60.6Low58Low57 Ų5792.5 Ų92.540%0.39947%0.473SS..Hα-helixtrans-60.2-43.8175.7-168.40000111.4K155 R156 F161 T162 D163K155-S159 PolarHBondContact O-N 3.04Å; R156-S159 PolarHBondContact O-N 2.77Å; S159-F161 VanDerWaalsContact C-N 3.27Å; S159-F161 PolarHBondContact O-N 3.32Å; S159-T162 WeakPolarHBondContact CA-OG1 3.25Å; S159-T162 PolarHBondContact O-N 2.91Å; S159-T162 PolarHBondContact O-OG1 3.21Å; S159-D163 WeakPolarHBondContact O-CB 3.44Å; S159-D163 PolarHBondContact O-N 3.29Å
160V56.7Low55.6Low78 Ų7899.6 Ų99.647%0.47351%0.507SS..Hα-helixtrans-62-38.1176.7174.50000110.8R156 T157 F158 Y164R156-V160 WeakPolarHBondContact O-CG2 3.33Å; R156-V160 PolarHBondContact O-N 2.9Å; T157-V160 PolarHBondContact O-N 2.88Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 2.82Å; V160-Y164 WeakPolarHBondContact O-CB 2.98Å; V160-Y164 PolarHBondContact O-N 3.41Å; V160-Y164 VanDerWaalsContact O-N 3.08Å
161F47.5Very low53.4Low126 Ų126100.5 Ų100.555%0.55352%0.515SS*.Hα-helixtrans-69.3-35.9174.6-77.1-62.7000113.5T157 F158 S159 N165T157-F161 HydrophobicContact CG2-CD2 3.81Å; T157-F161 HydrophobicContact CG2-CE2 3.4Å; T157-F161 HydrophobicContact CG2-CZ 4.5Å; T157-F161 WeakPolarHBondContact O-CD2 3.18Å; T157-F161 PolarHBondContact O-N 2.81Å; T157-F161 VanDerWaalsContact O-N 3.09Å; F158-F161 WeakPolarHBondContact O-CB 3.38Å; F158-F161 PolarHBondContact O-N 3.34Å; F158-F161 VanDerWaalsContact O-N 3.16Å; S159-F161 VanDerWaalsContact C-N 3.27Å; S159-F161 PolarHBondContact O-N 3.32Å; F161-N165 WeakPolarHBondContact O-CB 3.48Å; F161-N165 PolarHBondContact O-N 3.39Å; F161-N165 VanDerWaalsContact O-N 3.12Å; F161-N165 PolarHBondContact O-ND2 3.35Å; F161-N165 VanDerWaalsContact O-ND2 3.08Å
162T46.2Very low51.3Low69 Ų69104.9 Ų104.942%0.42354%0.535SS..Hα-helixtrans-73.4-35.9175.952.80000112.1F158 S159 Y164 N165 G166F158-T162 HydrophobicContact CD1-CG2 3.99Å; F158-T162 HydrophobicContact CE1-CG2 4.12Å; F158-T162 PolarHBondContact O-N 3.24Å; F158-T162 PolarHBondContact O-OG1 2.87Å; S159-T162 WeakPolarHBondContact CA-OG1 3.25Å; S159-T162 PolarHBondContact O-N 2.91Å; S159-T162 PolarHBondContact O-OG1 3.21Å; T162-Y164 VanDerWaalsContact C-N 3.3Å; T162-Y164 PolarHBondContact O-N 3.24Å; T162-N165 PolarHBondContact O-N 3.17Å; T162-G166 WeakPolarHBondContact O-CA 3.01Å; T162-G166 PolarHBondContact O-N 3.33Å
163D48.8Very low49.3Very low111 Ų111107.6 Ų107.659%0.59455%0.554SS**Hα-helixtrans-71.3-26.6176.7-61.7-18.9000111.8S159S159-D163 WeakPolarHBondContact O-CB 3.44Å; S159-D163 PolarHBondContact O-N 3.29Å
164Y41Very low47.2Very low199 Ų199110.5 Ų110.578%0.7857%0.571SS**Hα-helixtrans-80.3-32173.5-116.5-89.8000113.4V160 T162V160-Y164 WeakPolarHBondContact O-CB 2.98Å; V160-Y164 PolarHBondContact O-N 3.41Å; V160-Y164 VanDerWaalsContact O-N 3.08Å; T162-Y164 VanDerWaalsContact C-N 3.3Å; T162-Y164 PolarHBondContact O-N 3.24Å
165N39.3Very low45.7Very low140 Ų140112.5 Ų112.575%0.74957%0.568SS**Hα-helixtrans-96.2-21.7-177.6-71.4-37.1000113.4F161 T162F161-N165 WeakPolarHBondContact O-CB 3.48Å; F161-N165 PolarHBondContact O-N 3.39Å; F161-N165 VanDerWaalsContact O-N 3.12Å; F161-N165 PolarHBondContact O-ND2 3.35Å; F161-N165 VanDerWaalsContact O-ND2 3.08Å; T162-N165 PolarHBondContact O-N 3.17Å
166G35.8Very low44.4Very low32 Ų32114.9 Ų114.933%0.3358%0.581SS.*SBendtrans-103.4123.9175.200000110T162T162-G166 WeakPolarHBondContact O-CA 3.01Å; T162-G166 PolarHBondContact O-N 3.33Å
167D35.7Very low43.2Very low117 Ų117114.5 Ų114.563%0.62658%0.582SS**  trans84.765.3163-54-16.3000118.4I169D167-I169 VanDerWaalsContact CA-N 3.3Å; D167-I169 HydrophobicContact CB-CB 4.22Å; D167-I169 HydrophobicContact CB-CG1 4.44Å; D167-I169 PolarHBondContact O-N 3.01Å; D167-I169 VanDerWaalsContact OD1-CD1 3.3Å; D167-I169 WeakPolarHBondContact OD1-CD1 3.34Å
168L33.7Very low42.3Very low184 Ų184116.5 Ų116.596%0.96359%0.59SS**  trans-72.521.1130.6-72.2178.3000112.1E170L168-E170 PolarHBondContact O-N 3.09Å
169I30.7Very low42.1Very low108 Ų108116.6 Ų116.655%0.55460%0.597SS**  trans-73.389.9161.5-54.7-177.9000103.7D167 N171D167-I169 VanDerWaalsContact CA-N 3.3Å; D167-I169 HydrophobicContact CB-CB 4.22Å; D167-I169 HydrophobicContact CB-CG1 4.44Å; D167-I169 PolarHBondContact O-N 3.01Å; D167-I169 VanDerWaalsContact OD1-CD1 3.3Å; D167-I169 WeakPolarHBondContact OD1-CD1 3.34Å; I169-N171 PolarHBondContact O-N 3.32Å
170E29.5Very low42.9Very low162 Ų162117 Ų11776%0.75760%0.597SS**  trans-44.996.3151.6-78.4-178.3160.200105.1L168 Q172L168-E170 PolarHBondContact O-N 3.09Å; E170-Q172 PolarHBondContact O-N 3.4Å
171N33.6Very low44.2Very low120 Ų120116.8 Ų116.864%0.64260%0.598SS**  trans-61.292.4165.5-81.6-52.9000103I169 T173I169-N171 PolarHBondContact O-N 3.32Å; N171-T173 HydrophobicContact CB-CG2 3.88Å; N171-T173 PolarHBondContact O-N 2.96Å
172Q31.3Very low46.3Very low173 Ų173110.8 Ų110.881%0.80857%0.572SS**  trans-58.874.2154.9-67.1-179.97.400104.2E170 D174E170-Q172 PolarHBondContact O-N 3.4Å; Q172-D174 VanDerWaalsContact C-N 3.34Å; Q172-D174 PolarHBondContact O-N 2.91Å
173T37.8Very low48.6Very low77 Ų77107.8 Ų107.847%0.47255%0.554SS.*  trans-63.2105.917748.30000104.4N171 Y175N171-T173 HydrophobicContact CB-CG2 3.88Å; N171-T173 PolarHBondContact O-N 2.96Å; T173-Y175 PolarHBondContact O-N 3.18Å
174D33.4Very low50.8Low119 Ų119102.9 Ų102.964%0.63653%0.527SS*.  trans-38.5112.7174.9-103.2-37.5000109.4Q172 Q176 Q240Q172-D174 VanDerWaalsContact C-N 3.34Å; Q172-D174 PolarHBondContact O-N 2.91Å; D174-Q176 VanDerWaalsContact C-N 3.32Å; D174-Q176 PolarHBondContact O-N 3.06Å; D174-Q240 PolarHBondContact O-OE1 3.5Å
175Y39.8Very low53.5Low139 Ų13997 Ų9755%0.54550%0.503SS..  trans-65.387.3176.8-79.4-94000109.2T173T173-Y175 PolarHBondContact O-N 3.18Å
176Q43.5Very low56.2Low135 Ų13590.4 Ų90.463%0.63147%0.468SS*.  trans-107.269.7169.5-63.2-156.48.900112.2D174D174-Q176 VanDerWaalsContact C-N 3.32Å; D174-Q176 PolarHBondContact O-N 3.06Å
177L49.1Very low59.2Low44 Ų4496.2 Ų96.223%0.2348%0.48CS..SBendtrans-145.469.7150.1-110.2164.4000108.5L199 N244 L246 R303L177-L199 HydrophobicContact CD1-CD1 4.12Å; L177-N244 HydrophobicContact CD2-CB 3.75Å; L177-N244 WeakPolarHBondContact CD2-OD1 3.33Å; L177-L246 HydrophobicContact CD1-CD2 4.47Å; L177-R303 PolarHBondContact O-NH2 2.79Å
178N48.5Very low62.1Low112 Ų11298 Ų9860%0.59948%0.482SS*.  trans57.2101.6-179.5-67.5-20.2000114.9T180 R303N178-T180 PolarHBondContact O-N 3.18Å; N178-R303 PolarHBondContact O-NH2 3.17Å
179N61.7Low65.1Low146 Ų14691.6 Ų91.678%0.78145%0.452SS*.SBendtrans-23.6-15.6-178.3-631.4000121.5P181N179-P181 WeakPolarHBondContact O-CD 3.39Å
180T77.1Confident68.3Low65 Ų6592.2 Ų92.240%0.39945%0.448SS..SBendtrans-88.4116.6176.160.70000111N178 S182 R303N178-T180 PolarHBondContact O-N 3.18Å; T180-S182 PolarHBondContact O-N 2.74Å; T180-S182 PolarHBondContact O-OG 2.95Å; T180-S182 PolarHBondContact OG1-OG 3.46Å; T180-R303 PolarHBondContact O-NH2 3.38Å; T180-R303 VanDerWaalsContact O-NH2 3.08Å; T180-R303 PolarHBondContact OG1-NH1 3.36Å; T180-R303 VanDerWaalsContact OG1-NH1 3.09Å; T180-R303 PolarHBondContact OG1-NH2 2.79Å
181P84.8Confident71.4Confident75 Ų7588.9 Ų88.949%0.48743%0.432SS..  trans-45.9127.2164.7-27.635000109.7N179 S196 I306N179-P181 WeakPolarHBondContact O-CD 3.39Å; P181-S196 WeakPolarHBondContact CA-OG 3.25Å; P181-I306 HydrophobicContact CB-CB 4.45Å; P181-I306 HydrophobicContact CB-CD1 4.38Å; P181-I306 PolarHBondContact O-N 3.07Å
182S90.5Very high74.4Confident0 Ų085.2 Ų85.20%041%0.414CS..EExtended strand (participates in β ladder)trans-136.8143.4-171.3-63.60000111.1T180 N195 S196 R303 V304T180-S182 PolarHBondContact O-N 2.74Å; T180-S182 PolarHBondContact O-OG 2.95Å; T180-S182 PolarHBondContact OG1-OG 3.46Å; S182-N195 CarbonylContact O-C 3.57Å; S182-N195 WeakPolarHBondContact O-CA 3.26Å; S182-S196 PolarHBondContact N-OG 2.69Å; S182-S196 VanDerWaalsContact N-OG 3.07Å; S182-S196 PolarHBondContact O-N 3.12Å; S182-R303 PolarHBondContact OG-NE 3.09Å; S182-R303 PolarHBondContact OG-NH1 3.43Å; S182-R303 PolarHBondContact OG-NH2 3.27Å; S182-V304 CarbonylContact C-O 3.57Å; S182-V304 WeakPolarHBondContact CA-O 3.43Å
183S94.2Very high77.4Confident6 Ų677.4 Ų77.44%0.04238%0.378CS..EExtended strand (participates in β ladder)trans-91.1133.5167.561.80000109.5R185 N195 V304S183-R185 PolarHBondContact OG-NE 3.12Å; S183-R185 PolarHBondContact OG-NH2 3.23Å; S183-N195 WeakPolarHBondContact CA-OD1 3.34Å; S183-N195 WeakPolarHBondContact CB-OD1 3.11Å; S183-V304 PolarHBondContact N-O 2.81Å; S183-V304 PolarHBondContact O-N 3.27Å; S183-V304 PolarHBondContact OG-O 3.44Å
184F95.4Very high80.1Confident8 Ų873.8 Ų73.84%0.03536%0.356CS..EExtended strand (participates in β ladder)trans-97.2121.5172.3-70.3-95.6000108.8L193 F194 L199 L246 L301 R303F184-L193 PolarHBondContact O-N 2.83Å; F184-F194 HydrophobicContact CB-CD1 4.26Å; F184-F194 HydrophobicContact CB-CD2 3.95Å; F184-F194 HydrophobicContact CB-CE1 3.92Å; F184-F194 HydrophobicContact CB-CE2 3.59Å; F184-F194 HydrophobicContact CB-CG 4.26Å; F184-F194 HydrophobicContact CB-CZ 3.58Å; F184-F194 HydrophobicContact CD1-CE2 4.07Å; F184-F194 HydrophobicContact CD1-CZ 4.08Å; F184-F194 AromaticContact CD2-CD2 3.73Å; F184-F194 HydrophobicContact CD2-CD2 3.73Å; F184-F194 AromaticContact CD2-CE2 3.34Å; F184-F194 HydrophobicContact CD2-CE2 3.34Å; F184-F194 HydrophobicContact CD2-CZ 4.12Å; F184-F194 AromaticContact CE2-CE2 3.97Å; F184-F194 HydrophobicContact CE2-CE2 3.97Å; F184-F194 HydrophobicContact CG-CD2 4.03Å; F184-F194 HydrophobicContact CG-CE1 4.49Å; F184-F194 AromaticContact CG-CE2 3.39Å; F184-F194 HydrophobicContact CG-CE2 3.39Å; F184-F194 AromaticContact CG-CZ 3.67Å; F184-F194 HydrophobicContact CG-CZ 3.67Å; F184-F194 PolarHBondContact N-O 3.12Å; F184-L199 HydrophobicContact CE2-CD1 3.79Å; F184-L199 HydrophobicContact CE2-CG 4.44Å; F184-L199 HydrophobicContact CZ-CD1 3.9Å; F184-L246 HydrophobicContact CD1-CD1 3.99Å; F184-L246 HydrophobicContact CE1-CD1 3.75Å; F184-L246 HydrophobicContact CE1-CD2 3.85Å; F184-L246 HydrophobicContact CE1-CG 4.48Å; F184-L246 HydrophobicContact CZ-CD2 4.01Å; F184-L301 HydrophobicContact CB-CD1 4.36Å; F184-L301 HydrophobicContact CD1-CD1 4.3Å; F184-R303 HydrophobicContact CD1-CB 4.38Å; F184-R303 HydrophobicContact CE1-CB 4.14Å; F184-R303 HydrophobicContact CE1-CG 4.1Å; F184-R303 HydrophobicContact CZ-CG 4.14Å
185R97.2Very high82.8Confident75 Ų7570.3 Ų70.328%0.28334%0.337SS..EExtended strand (participates in β ladder)trans-119146.7-172.2-66.4173.7-175.9-95.8-1.9110.3S183 R187 R190 Q191 V192 L301 D302S183-R185 PolarHBondContact OG-NE 3.12Å; S183-R185 PolarHBondContact OG-NH2 3.23Å; R185-R187 PolarHBondContact O-N 2.89Å; R185-R190 WeakPolarHBondContact CD-O 3.02Å; R185-R190 WeakPolarHBondContact CG-O 3.35Å; R185-R190 PolarHBondContact NH1-O 3.1Å; R185-Q191 CarbonylContact C-O 3.46Å; R185-Q191 WeakPolarHBondContact CA-O 3.48Å; R185-V192 HydrophobicContact CG-CG2 4.08Å; R185-L301 CarbonylContact O-C 3.49Å; R185-L301 VanDerWaalsContact O-CA 3.27Å; R185-L301 WeakPolarHBondContact O-CA 3.45Å; R185-D302 PolarHBondContact N-O 2.85Å; R185-D302 PolarHBondContact O-N 3.43Å
186C97.8Very high85.1Confident1 Ų164.6 Ų64.61%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-58.1127.9171.3178.50000110K188 R190 Q191 L193 C267 C270C186-K188 PolarHBondContact O-N 3.19Å; C186-R190 WeakPolarHBondContact O-CA 3.4Å; C186-R190 PolarHBondContact O-N 3.43Å; C186-Q191 PolarHBondContact N-O 2.69Å; C186-L193 HydrophobicContact CB-CD1 4.28Å; C186-L193 HydrophobicContact CB-CG 4.47Å; C186-C267 HydrophobicContact CB-CB 4.17Å; C186-C267 VanDerWaalsContact CB-SG 3.51Å; C186-C267 VanDerWaalsContact SG-SG 3.64Å; C186-C270 VanDerWaalsContact SG-SG 3.61Å
187R97.1Very high87.1Confident154 Ų15463.1 Ų63.158%0.58131%0.314SS*.THydrogen-bonded Turntrans-64-27-179.6-174.1169.4179.392-6.5113.6R185 N299 H300 D302R185-R187 PolarHBondContact O-N 2.89Å; R187-N299 WeakPolarHBondContact CD-O 3.39Å; R187-H300 VanDerWaalsContact CB-O 3.22Å; R187-H300 WeakPolarHBondContact CB-O 3.36Å; R187-H300 PolarHBondContact N-O 3.25Å; R187-D302 WeakPolarHBondContact CA-OD2 3.43Å; R187-D302 IonicContact CZ-OD1 3.84Å; R187-D302 IonicContact NH1-OD1 2.69Å; R187-D302 PolarHBondContact NH1-OD1 3.01Å
188K96.6Very high88.8Confident155 Ų15564.6 Ų64.667%0.67432%0.319SS*.THydrogen-bonded Turntrans-80.2-43.2-178.6-170.9-179.3-179.1-172.50113.3C186 C270 A272C186-K188 PolarHBondContact O-N 3.19Å; K188-C270 HydrophobicContact CD-CB 4.37Å; K188-A272 HydrophobicContact CB-CB 4.21Å; K188-A272 HydrophobicContact CD-CB 3.8Å
189C97.7Very high90.6Very high50 Ų5060.4 Ų60.434%0.33830%0.297SS..THydrogen-bonded Turntrans-124.90.1-173.369.90000115.2Q191 C267 C270C189-Q191 PolarHBondContact O-N 2.93Å; C189-Q191 WeakPolarHBondContact SG-CB 3.49Å; C189-C267 PolarHBondContact SG-SG 2.84Å; C189-C270 HydrophobicContact CB-CB 3.7Å; C189-C270 PolarHBondContact SG-SG 3.46Å
190R96.8Very high91.6Very high120 Ų12057.8 Ų57.845%0.45328%0.276SS..  trans64.35.7178.1-51.3-68.1-67.9-166.1-6115.7R185 C186 V192 D302R185-R190 WeakPolarHBondContact CD-O 3.02Å; R185-R190 WeakPolarHBondContact CG-O 3.35Å; R185-R190 PolarHBondContact NH1-O 3.1Å; C186-R190 WeakPolarHBondContact O-CA 3.4Å; C186-R190 PolarHBondContact O-N 3.43Å; R190-V192 PolarHBondContact O-N 2.9Å; R190-D302 IonicContact CZ-OD2 3.66Å; R190-D302 IonicContact NH1-OD2 2.62Å; R190-D302 PolarHBondContact NH1-OD2 3.04Å
191Q95.8Very high91.7Very high93 Ų9358.5 Ų58.544%0.43528%0.277SS..  trans-52.2131.4169.2-179.261.825.800110.3R185 C186 C189 L193 P268R185-Q191 CarbonylContact C-O 3.46Å; R185-Q191 WeakPolarHBondContact CA-O 3.48Å; C186-Q191 PolarHBondContact N-O 2.69Å; C189-Q191 PolarHBondContact O-N 2.93Å; C189-Q191 WeakPolarHBondContact SG-CB 3.49Å; Q191-L193 HydrophobicContact CG-CD2 4.42Å; Q191-P268 HydrophobicContact CG-CG 4.42Å
192V96Very high91.2Very high43 Ų4355.9 Ų55.926%0.26126%0.258SS..EExtended strand (participates in β ladder)trans-68.9130.5173.2-178.30000109R185 R190R185-V192 HydrophobicContact CG-CG2 4.08Å; R190-V192 PolarHBondContact O-N 2.9Å
193L95.3Very high90.6Very high8 Ų861.1 Ų61.14%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-106.8-42.3177.8-57.2-178.2000111.7F184 C186 Q191 W253 P268 V274 L301F184-L193 PolarHBondContact O-N 2.83Å; C186-L193 HydrophobicContact CB-CD1 4.28Å; C186-L193 HydrophobicContact CB-CG 4.47Å; Q191-L193 HydrophobicContact CG-CD2 4.42Å; L193-W253 HydrophobicContact CB-CZ2 3.99Å; L193-W253 HydrophobicContact CD2-CH2 4.38Å; L193-W253 HydrophobicContact CD2-CZ2 4.22Å; L193-W253 PolarHBondContact O-NE1 3.15Å; L193-P268 HydrophobicContact CD2-CG 4.46Å; L193-V274 HydrophobicContact CD1-CB 4Å; L193-V274 HydrophobicContact CD1-CG1 3.8Å; L193-V274 HydrophobicContact CD1-CG2 4.13Å; L193-L301 HydrophobicContact CD1-CD2 3.38Å
194F93.8Very high89.7Confident2 Ų263.9 Ų63.91%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-165169.3176.458.4-87.6000110.9F184 Q198 L199 L251 F296 L301F184-F194 HydrophobicContact CB-CD1 4.26Å; F184-F194 HydrophobicContact CB-CD2 3.95Å; F184-F194 HydrophobicContact CB-CE1 3.92Å; F184-F194 HydrophobicContact CB-CE2 3.59Å; F184-F194 HydrophobicContact CB-CG 4.26Å; F184-F194 HydrophobicContact CB-CZ 3.58Å; F184-F194 HydrophobicContact CD1-CE2 4.07Å; F184-F194 HydrophobicContact CD1-CZ 4.08Å; F184-F194 AromaticContact CD2-CD2 3.73Å; F184-F194 HydrophobicContact CD2-CD2 3.73Å; F184-F194 AromaticContact CD2-CE2 3.34Å; F184-F194 HydrophobicContact CD2-CE2 3.34Å; F184-F194 HydrophobicContact CD2-CZ 4.12Å; F184-F194 AromaticContact CE2-CE2 3.97Å; F184-F194 HydrophobicContact CE2-CE2 3.97Å; F184-F194 HydrophobicContact CG-CD2 4.03Å; F184-F194 HydrophobicContact CG-CE1 4.49Å; F184-F194 AromaticContact CG-CE2 3.39Å; F184-F194 HydrophobicContact CG-CE2 3.39Å; F184-F194 AromaticContact CG-CZ 3.67Å; F184-F194 HydrophobicContact CG-CZ 3.67Å; F184-F194 PolarHBondContact N-O 3.12Å; F194-Q198 VanDerWaalsContact CA-OE1 3.29Å; F194-Q198 HydrophobicContact CB-CB 4.32Å; F194-L199 HydrophobicContact CD2-CD2 4.38Å; F194-L199 HydrophobicContact CE2-CD2 3.65Å; F194-L199 HydrophobicContact CE2-CG 4.15Å; F194-L199 HydrophobicContact CZ-CD2 4.4Å; F194-L251 HydrophobicContact CB-CD1 3.7Å; F194-L251 HydrophobicContact CD1-CD1 4.34Å; F194-L251 HydrophobicContact CG-CD1 4.34Å; F194-F296 HydrophobicContact CD1-CD1 4.39Å; F194-F296 HydrophobicContact CD1-CD2 4.1Å; F194-F296 HydrophobicContact CD1-CE1 4.23Å; F194-F296 AromaticContact CD1-CE2 3.95Å; F194-F296 HydrophobicContact CD1-CE2 3.95Å; F194-F296 HydrophobicContact CD1-CG 4.32Å; F194-F296 HydrophobicContact CD1-CZ 4.01Å; F194-F296 HydrophobicContact CE1-CB 3.97Å; F194-F296 AromaticContact CE1-CD1 3.68Å; F194-F296 HydrophobicContact CE1-CD1 3.68Å; F194-F296 AromaticContact CE1-CD2 3.45Å; F194-F296 HydrophobicContact CE1-CD2 3.45Å; F194-F296 VanDerWaalsContact CE1-CD2 3.45Å; F194-F296 AromaticContact CE1-CE1 3.97Å; F194-F296 HydrophobicContact CE1-CE1 3.97Å; F194-F296 AromaticContact CE1-CE2 3.77Å; F194-F296 HydrophobicContact CE1-CE2 3.77Å; F194-F296 AromaticContact CE1-CG 3.4Å; F194-F296 HydrophobicContact CE1-CG 3.4Å; F194-F296 HydrophobicContact CE1-CZ 4.02Å; F194-F296 HydrophobicContact CZ-CB 4.07Å; F194-F296 AromaticContact CZ-CD2 3.87Å; F194-F296 HydrophobicContact CZ-CD2 3.87Å; F194-F296 HydrophobicContact CZ-CE2 4.49Å; F194-F296 AromaticContact CZ-CG 3.92Å; F194-F296 HydrophobicContact CZ-CG 3.92Å; F194-L301 HydrophobicContact CE1-CD1 3.83Å; F194-L301 HydrophobicContact CZ-CD1 3.79Å
195N91.1Very high88.5Confident45 Ų4566.5 Ų66.524%0.24131%0.311CS..EExtended strand (participates in β ladder)trans-110.1163.2176.3-66.8-37.9000111.4S182 S183 N197 Q198S182-N195 CarbonylContact O-C 3.57Å; S182-N195 WeakPolarHBondContact O-CA 3.26Å; S183-N195 WeakPolarHBondContact CA-OD1 3.34Å; S183-N195 WeakPolarHBondContact CB-OD1 3.11Å; N195-N197 WeakPolarHBondContact CB-OD1 3.12Å; N195-N197 PolarHBondContact O-N 2.74Å; N195-N197 VanDerWaalsContact O-N 3.13Å; N195-Q198 WeakPolarHBondContact O-CB 3.11Å; N195-Q198 PolarHBondContact O-N 2.92Å
196S88.3Confident86.9Confident19 Ų1970.5 Ų70.513%0.13333%0.333CS..G310 helixtrans-59.1-24.5-178.353.10000114.6P181 S182 Q198 L199P181-S196 WeakPolarHBondContact CA-OG 3.25Å; S182-S196 PolarHBondContact N-OG 2.69Å; S182-S196 VanDerWaalsContact N-OG 3.07Å; S182-S196 PolarHBondContact O-N 3.12Å; S196-Q198 VanDerWaalsContact C-N 3.27Å; S196-L199 WeakPolarHBondContact O-CB 3.47Å; S196-L199 PolarHBondContact O-N 3.11Å
197N83.5Confident84.8Confident105 Ų10576.8 Ų76.856%0.56137%0.372SS*.G310 helixtrans-76.5-11.5174.965.8-27.7000113.7N195N195-N197 WeakPolarHBondContact CB-OD1 3.12Å; N195-N197 PolarHBondContact O-N 2.74Å; N195-N197 VanDerWaalsContact O-N 3.13Å
198Q86.2Confident82.2Confident75 Ų7574.6 Ų74.635%0.3538%0.376SS..G310 helixtrans-94.9-0.7175.2-60.5173.8-78.200112.1F194 N195 S196 C248 L251F194-Q198 VanDerWaalsContact CA-OE1 3.29Å; F194-Q198 HydrophobicContact CB-CB 4.32Å; N195-Q198 WeakPolarHBondContact O-CB 3.11Å; N195-Q198 PolarHBondContact O-N 2.92Å; S196-Q198 VanDerWaalsContact C-N 3.27Å; Q198-C248 WeakPolarHBondContact O-CB 3.4Å; Q198-C248 PolarHBondContact O-SG 2.94Å; Q198-C248 VanDerWaalsContact O-SG 3.38Å; Q198-L251 HydrophobicContact CB-CD2 4.37Å
199L86.9Confident79.3Confident23 Ų2373 Ų7312%0.1238%0.381CS..BIsolated β-bridgetrans-72.8131173.6-73.9171.2000110L177 F184 F194 S196 I201 L246 F247L177-L199 HydrophobicContact CD1-CD1 4.12Å; F184-L199 HydrophobicContact CE2-CD1 3.79Å; F184-L199 HydrophobicContact CE2-CG 4.44Å; F184-L199 HydrophobicContact CZ-CD1 3.9Å; F194-L199 HydrophobicContact CD2-CD2 4.38Å; F194-L199 HydrophobicContact CE2-CD2 3.65Å; F194-L199 HydrophobicContact CE2-CG 4.15Å; F194-L199 HydrophobicContact CZ-CD2 4.4Å; S196-L199 WeakPolarHBondContact O-CB 3.47Å; S196-L199 PolarHBondContact O-N 3.11Å; L199-I201 PolarHBondContact O-N 3.21Å; L199-L246 HydrophobicContact CD1-CD2 4.2Å; L199-L246 HydrophobicContact CD2-CB 3.99Å; L199-L246 HydrophobicContact CD2-CD2 3.89Å; L199-F247 CarbonylContact C-O 3.49Å; L199-F247 WeakPolarHBondContact CA-O 3.5Å
200R80.8Confident76.3Confident91 Ų9176 Ų7634%0.34339%0.394SS..PPolyproline II helixtrans-80.6117.4174.9-173.7176.4179.6123.2-4.7110.2F247 D249 V291R200-F247 HydrophobicContact CB-CB 4.24Å; R200-F247 PolarHBondContact N-O 2.91Å; R200-D249 IonicContact CZ-OD1 2.72Å; R200-D249 IonicContact NH1-OD1 2.82Å; R200-D249 PolarHBondContact NH1-OD1 2.95Å; R200-V291 PolarHBondContact NH1-O 3.21Å; R200-V291 PolarHBondContact NH2-O 3.38Å; R200-V291 VanDerWaalsContact NH2-O 3.12Å
201I79.2Confident73.5Confident81 Ų8175.7 Ų75.742%0.41541%0.407SS..PPolyproline II helixtrans-87.9131.7173.7-53.5174.1000108.3L199 Q240L199-I201 PolarHBondContact O-N 3.21Å; I201-Q240 HydrophobicContact CG2-CB 4.21Å; I201-Q240 HydrophobicContact CG2-CG 3.84Å
202H75.8Confident70.7Confident19 Ų1979 Ų799%0.08843%0.427CS..  trans-130.9156.6175.961.1-88.8000110.8C241 F247 C284 C286 T288 V290H202-C241 VanDerWaalsContact NE2-CB 3.28Å; H202-C241 WeakPolarHBondContact NE2-CB 3.27Å; H202-C241 PolarHBondContact NE2-SG 2.77Å; H202-C241 WeakPolarHBondContact O-CB 3.48Å; H202-C241 PolarHBondContact O-N 2.77Å; H202-F247 AromaticContact CE1-CD2 3.98Å; H202-C284 VanDerWaalsContact CE1-SG 3.59Å; H202-C284 PolarHBondContact NE2-SG 3.4Å; H202-C286 PolarHBondContact NE2-SG 2.82Å; H202-C286 VanDerWaalsContact NE2-SG 3.36Å; H202-T288 HydrophobicContact CB-CG2 4.29Å; H202-V290 HydrophobicContact CB-CG2 4.48Å
203Q76.7Confident67.8Low111 Ų11183.9 Ų83.952%0.51945%0.45SS..BIsolated β-bridgetrans-93.8145.1-175.1-56.7174.3-7.700110.1P238 T288Q203-P238 HydrophobicContact CB-CB 3.87Å; Q203-P238 HydrophobicContact CG-CB 3.58Å; Q203-P238 HydrophobicContact CG-CG 4.36Å; Q203-P238 VanDerWaalsContact NE2-CG 3.28Å; Q203-P238 VanDerWaalsContact OE1-CG 3.32Å; Q203-T288 WeakPolarHBondContact O-CB 3.45Å; Q203-T288 VanDerWaalsContact O-CG2 3.29Å; Q203-T288 WeakPolarHBondContact O-CG2 3.34Å; Q203-T288 PolarHBondContact O-OG1 3Å
204K75.2Confident64.6Low64 Ų6491 Ų9128%0.27849%0.488SS..PPolyproline II helixtrans-68151174.7-65.1179.8179.7177.30110.7E206 L239 Q240 D242 C286K204-E206 PolarHBondContact O-N 2.99Å; K204-L239 HydrophobicContact CD-CB 4.39Å; K204-L239 PolarHBondContact N-O 3.31Å; K204-Q240 WeakPolarHBondContact CE-O 3.45Å; K204-D242 VanDerWaalsContact CE-CG 3.47Å; K204-D242 WeakPolarHBondContact CE-OD1 3.17Å; K204-D242 IonicContact NZ-OD1 3.21Å; K204-D242 PolarHBondContact NZ-OD1 3.02Å; K204-D242 IonicContact NZ-OD2 3.67Å; K204-D242 PolarHBondContact NZ-OD2 3.48Å; K204-C286 HydrophobicContact CG-CB 4.24Å
205P70.9Confident61.6Low62 Ų6296.1 Ų96.140%0.40352%0.524SS..PPolyproline II helixtrans-61.6138.5169.6-1531.4000109.4T207 C286 T288P205-T207 PolarHBondContact O-N 3.44Å; P205-C286 WeakPolarHBondContact CD-O 3.48Å; P205-T288 VanDerWaalsContact CD-OG1 3.28Å; P205-T288 WeakPolarHBondContact CD-OG1 3.49Å
206E64.5Low58.6Low159 Ų15999.8 Ų99.874%0.74355%0.548SS*.PPolyproline II helixtrans-57.9125.5176.4-65.4-177.7168.300110.1K204K204-E206 PolarHBondContact O-N 2.99Å
207T53.1Low55.8Low133 Ų133108.7 Ų108.782%0.81659%0.585SS**  trans-95.412-17738.50000114.1P205P205-T207 PolarHBondContact O-N 3.44Å
208T41.5Very low53.2Low109 Ų109113.6 Ų113.667%0.66960%0.597SS**SBendtrans-118.7120.6173.939.30000110.8N210T208-N210 PolarHBondContact O-N 2.82Å
209P36.5Very low50.5Low122 Ų122119.3 Ų119.379%0.79262%0.621SS**  trans-67.8107166.614.7-8000107.4P211P209-P211 VanDerWaalsContact O-CD 3.29Å; P209-P211 WeakPolarHBondContact O-CD 3.16Å
210N34.4Very low48Very low111 Ų111125.9 Ų125.959%0.59466%0.656SS**  trans-59.6116.2171.8-154.9-13.4000107.8T208 L212 I213T208-N210 PolarHBondContact O-N 2.82Å; N210-L212 PolarHBondContact O-N 2.83Å; N210-I213 PolarHBondContact O-N 3.29Å
211P38.3Very low45.7Very low114 Ų114127.1 Ų127.174%0.7467%0.674SS**THydrogen-bonded Turntrans-671.4-167.8-20.231.5000115.7P209P209-P211 VanDerWaalsContact O-CD 3.29Å; P209-P211 WeakPolarHBondContact O-CD 3.16Å
212L36Very low43.7Very low163 Ų163129 Ų12985%0.85369%0.685SS**THydrogen-bonded Turntrans-96.98.7-179.4-68.3174.2000114.8N210N210-L212 PolarHBondContact O-N 2.83Å
213I36.5Very low42Very low145 Ų145133.9 Ų133.974%0.74471%0.711SS**  trans-115.561172.7-46.6179.5000109.8N210N210-I213 PolarHBondContact O-N 3.29Å
214N27.1Very low40.4Very low158 Ų158129.9 Ų129.985%0.84570%0.695SS**  trans-14372.3169.2-96.6-17.6000110.6
215S30.4Very low38.7Very low109 Ų109129.5 Ų129.576%0.76270%0.7SS**  trans176.2110.6152-1720000104.5
216T28.6Very low37.2Very low122 Ų122129 Ų12975%0.74870%0.698SS**  -161.3139.482.840.10000111.2Y218T216-Y218 PolarHBondContact O-N 3.05Å
217K29.1Very low36.2Very low207 Ų207123.8 Ų123.890%0.968%0.677SS**  trans-49.2127.1169.8-69.8169.3174.6172.70111.3K219K217-K219 PolarHBondContact O-N 3.2Å
218Y29Very low35.5Very low207 Ų207120.6 Ų120.681%0.81266%0.655SS**  trans-56.9112.7177.1-84.8-100.4000111.6T216T216-Y218 PolarHBondContact O-N 3.05Å
219K29.2Very low35.3Very low195 Ų195121.4 Ų121.485%0.84865%0.653SS**  trans-117128.7154.3-77.8-171.8175.8-177.70107.1K217 T221K217-K219 PolarHBondContact O-N 3.2Å; K219-T221 PolarHBondContact O-N 3.26Å
220N35.5Very low35.3Very low161 Ų161124.2 Ų124.286%0.86165%0.653SS**SBendtrans-52.2104178.7-87.9-18.2000111.9
221T32.5Very low35.2Very low118 Ų118122.1 Ų122.172%0.72466%0.658SS**  trans-167.492.9142.850.50000106.4K219 N223K219-T221 PolarHBondContact O-N 3.26Å; T221-N223 PolarHBondContact O-N 2.9Å
222D38.1Very low34.8Very low121 Ų121122.7 Ų122.765%0.64766%0.659SS**  trans-65.898.3172.7-76-41.6000108.9V224D222-V224 PolarHBondContact O-N 2.84Å
223N38.1Very low34.5Very low120 Ų120120.5 Ų120.564%0.64266%0.657SS**  trans-63119.4164.4-87.9-29.5000107.2T221 S225 S226T221-N223 PolarHBondContact O-N 2.9Å; N223-S225 PolarHBondContact O-N 2.74Å; N223-S226 PolarHBondContact O-N 3.41Å; N223-S226 PolarHBondContact O-OG 2.91Å
224V43.2Very low34.5Very low28 Ų28120.7 Ų120.717%0.1766%0.659CS.*Hα-helixtrans-45.3-28.4-179.8179.40000113.3T137 L148 D222 S226 V227 L228T137-V224 HydrophobicContact CG2-CG2 3.79Å; L148-V224 HydrophobicContact CD1-CG2 4.49Å; L148-V224 HydrophobicContact CD2-CG2 3.93Å; D222-V224 PolarHBondContact O-N 2.84Å; V224-S226 PolarHBondContact O-N 3.49Å; V224-V227 PolarHBondContact O-N 3.12Å; V224-L228 HydrophobicContact CG1-CD1 3.92Å; V224-L228 WeakPolarHBondContact O-CD1 3.24Å; V224-L228 VanDerWaalsContact O-CG 3.27Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.35Å
225S41.1Very low34.8Very low55 Ų55120.5 Ų120.539%0.38566%0.658SS.*Hα-helixtrans-58.8-35.4171.9-59.30000114.7N223 L228 I229N223-S225 PolarHBondContact O-N 2.74Å; S225-L228 PolarHBondContact O-N 3.37Å; S225-I229 VanDerWaalsContact O-CB 3.28Å; S225-I229 WeakPolarHBondContact O-CB 3.43Å; S225-I229 WeakPolarHBondContact O-CD1 3.1Å; S225-I229 WeakPolarHBondContact O-CG1 3.46Å; S225-I229 PolarHBondContact O-N 3.16Å; S225-I229 VanDerWaalsContact O-N 3.09Å
226S38.4Very low35.1Very low53 Ų53121.5 Ų121.537%0.37166%0.655SS.*Hα-helixtrans-75.3-30-179.366.80000113.4N223 V224 L228N223-S226 PolarHBondContact O-N 3.41Å; N223-S226 PolarHBondContact O-OG 2.91Å; V224-S226 PolarHBondContact O-N 3.49Å; S226-L228 PolarHBondContact O-N 3.18Å
227V42.9Very low36Very low48 Ų48121.3 Ų121.329%0.29166%0.659SS.*Hα-helixtrans-67.4-30.3172-179.70000110.2K133 V224K133-V227 HydrophobicContact CD-CG1 4.44Å; V224-V227 PolarHBondContact O-N 3.12Å
228L40.1Very low37.2Very low67 Ų67114.5 Ų114.535%0.35164%0.635SS.*Hα-helixtrans-93-13.9-175.8-62.6172.6000114.9K155 V224 S225 S226K155-L228 HydrophobicContact CD-CD1 4.11Å; V224-L228 HydrophobicContact CG1-CD1 3.92Å; V224-L228 WeakPolarHBondContact O-CD1 3.24Å; V224-L228 VanDerWaalsContact O-CG 3.27Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.35Å; S225-L228 PolarHBondContact O-N 3.37Å; S226-L228 PolarHBondContact O-N 3.18Å
229I37.4Very low39Very low125 Ų125110.8 Ų110.864%0.64163%0.629SS**Hα-helixtrans-110.5-8-170.2-68.1170.1000114S225 G231S225-I229 VanDerWaalsContact O-CB 3.28Å; S225-I229 WeakPolarHBondContact O-CB 3.43Å; S225-I229 WeakPolarHBondContact O-CD1 3.1Å; S225-I229 WeakPolarHBondContact O-CG1 3.46Å; S225-I229 PolarHBondContact O-N 3.16Å; S225-I229 VanDerWaalsContact O-N 3.09Å; I229-G231 VanDerWaalsContact C-N 3.33Å; I229-G231 PolarHBondContact O-N 3.48Å
230K35.6Very low41.1Very low182 Ų182104.2 Ų104.279%0.79160%0.601SS**SBendtrans-74.384.3178.4-78.6-174.9177.1179.90112.4
231G32.6Very low43Very low67 Ų6797.5 Ų97.569%0.69157%0.566SS**  trans120.479.2143.800000116.5I229I229-G231 VanDerWaalsContact C-N 3.33Å; I229-G231 PolarHBondContact O-N 3.48Å
232V30.2Very low45.1Very low125 Ų12596 Ų9676%0.75855%0.554SS**  trans-128.190.1153.4-178.80000107.4L234V232-L234 HydrophobicContact CG1-CD1 3.94Å; V232-L234 HydrophobicContact CG1-CD2 4.24Å; V232-L234 HydrophobicContact CG1-CG 3.67Å
233S29.1Very low47.1Very low117 Ų11795.1 Ų95.182%0.81854%0.544SS*.  trans-97.2115.4161-79.70000107.3
234L36.1Very low49.2Very low150 Ų15092.4 Ų92.479%0.78553%0.53SS*.  trans-94.33.6-173.4-81.3165.7000115.2V232V232-L234 HydrophobicContact CG1-CD1 3.94Å; V232-L234 HydrophobicContact CG1-CD2 4.24Å; V232-L234 HydrophobicContact CG1-CG 3.67Å
235N32.6Very low51.4Low153 Ų15393.8 Ų93.882%0.81854%0.535SS*.SBendtrans-11814.7-165.5-73.2-3.3000116.9
236N37.5Very low53.8Low130 Ų13091.5 Ų91.570%0.69552%0.518SS*.  trans-121.7118.8167.1-77-18.5000109P238N236-P238 WeakPolarHBondContact O-CD 3.33Å; N236-P238 WeakPolarHBondContact O-CG 3.28Å
237S48Very low56.3Low119 Ų11989 Ų8983%0.83250%0.501SS*.  trans-58.5106.6165.6-25.70000107.2L239S237-L239 PolarHBondContact O-N 3.08Å
238P55.1Low58.4Low63 Ų6386.8 Ų86.841%0.40949%0.487SS..  trans-68.6133.7-168.7-24.839.8000109.4Q203 N236 Q240Q203-P238 HydrophobicContact CB-CB 3.87Å; Q203-P238 HydrophobicContact CG-CB 3.58Å; Q203-P238 HydrophobicContact CG-CG 4.36Å; Q203-P238 VanDerWaalsContact NE2-CG 3.28Å; Q203-P238 VanDerWaalsContact OE1-CG 3.32Å; N236-P238 WeakPolarHBondContact O-CD 3.33Å; N236-P238 WeakPolarHBondContact O-CG 3.28Å; P238-Q240 PolarHBondContact O-N 3.03Å
239L64.8Low60.6Low129 Ų12987.3 Ų87.368%0.67549%0.49SS*.  trans-59.5114.1179.4-69.9168.2000109.3K204 S237K204-L239 HydrophobicContact CD-CB 4.39Å; K204-L239 PolarHBondContact N-O 3.31Å; S237-L239 PolarHBondContact O-N 3.08Å
240Q74Confident62.8Low58 Ų5883.4 Ų83.427%0.27147%0.473SS..BIsolated β-bridgetrans-62.9153.9174.8-67.4-176.5-6.100110.7D174 I201 K204 P238 D242D174-Q240 PolarHBondContact O-OE1 3.5Å; I201-Q240 HydrophobicContact CG2-CB 4.21Å; I201-Q240 HydrophobicContact CG2-CG 3.84Å; K204-Q240 WeakPolarHBondContact CE-O 3.45Å; P238-Q240 PolarHBondContact O-N 3.03Å; Q240-D242 PolarHBondContact O-N 2.9Å
241C76.5Confident65.4Low19 Ų1975.5 Ų75.513%0.12844%0.439CS..  trans-60.4125.1173.3-174.80000111.2H202H202-C241 VanDerWaalsContact NE2-CB 3.28Å; H202-C241 WeakPolarHBondContact NE2-CB 3.27Å; H202-C241 PolarHBondContact NE2-SG 2.77Å; H202-C241 WeakPolarHBondContact O-CB 3.48Å; H202-C241 PolarHBondContact O-N 2.77Å
242D76.7Confident67.8Low87 Ų8780.3 Ų80.347%0.46544%0.444SS..  trans-1028.317863.7-12.4000112.7K204 Q240 N244K204-D242 VanDerWaalsContact CE-CG 3.47Å; K204-D242 WeakPolarHBondContact CE-OD1 3.17Å; K204-D242 IonicContact NZ-OD1 3.21Å; K204-D242 PolarHBondContact NZ-OD1 3.02Å; K204-D242 IonicContact NZ-OD2 3.67Å; K204-D242 PolarHBondContact NZ-OD2 3.48Å; Q240-D242 PolarHBondContact O-N 2.9Å; D242-N244 VanDerWaalsContact C-N 3.29Å; D242-N244 PolarHBondContact O-N 3.37Å
243K79.7Confident70.7Confident102 Ų10277.1 Ų77.144%0.44342%0.418SS..SBendtrans-86.4-2.4-172.6-58.2-63.6-175.5-170.40113.6E245 V285 C286K243-E245 HydrophobicContact CB-CG 4.23Å; K243-E245 PolarHBondContact O-N 3.14Å; K243-E245 VanDerWaalsContact O-N 3.14Å; K243-V285 HydrophobicContact CB-CG2 3.31Å; K243-V285 HydrophobicContact CD-CG2 4.06Å; K243-V285 HydrophobicContact CG-CG2 3.54Å; K243-C286 HydrophobicContact CG-CB 3.92Å
244N81Confident73.5Confident64 Ų6471.6 Ų71.634%0.34238%0.38SS..  trans57.622.5176.4-62.8-28.3000114.5L177 D242L177-N244 HydrophobicContact CD2-CB 3.75Å; L177-N244 WeakPolarHBondContact CD2-OD1 3.33Å; D242-N244 VanDerWaalsContact C-N 3.29Å; D242-N244 PolarHBondContact O-N 3.37Å
245E89.4Confident75.5Confident57 Ų5767.8 Ų67.827%0.26636%0.359SS..  trans-67.5138.7172.9-61.7-65.3112.500109.7K243 F247 V285 H295K243-E245 HydrophobicContact CB-CG 4.23Å; K243-E245 PolarHBondContact O-N 3.14Å; K243-E245 VanDerWaalsContact O-N 3.14Å; E245-F247 HydrophobicContact CB-CD2 3.84Å; E245-F247 HydrophobicContact CB-CE2 3.6Å; E245-F247 HydrophobicContact CG-CE2 4.35Å; E245-F247 PolarHBondContact O-N 2.76Å; E245-V285 HydrophobicContact CG-CG2 3.81Å; E245-H295 IonicContact OE2-CE1 2.75Å; E245-H295 PolarHBondContact OE2-CE1 3.26Å; E245-H295 IonicContact OE2-NE2 3.73Å; E245-H295 PolarHBondContact OE2-NE2 3.41Å; E245-H295 VanDerWaalsContact OE2-NE2 3.1Å
246L92.6Very high77.5Confident7 Ų767.8 Ų67.84%0.03735%0.353CS..EExtended strand (participates in β ladder)trans-101.873.4-171.2-55.2177.5000110.6L177 F184 L199 F296 R298 L301L177-L246 HydrophobicContact CD1-CD2 4.47Å; F184-L246 HydrophobicContact CD1-CD1 3.99Å; F184-L246 HydrophobicContact CE1-CD1 3.75Å; F184-L246 HydrophobicContact CE1-CD2 3.85Å; F184-L246 HydrophobicContact CE1-CG 4.48Å; F184-L246 HydrophobicContact CZ-CD2 4.01Å; L199-L246 HydrophobicContact CD1-CD2 4.2Å; L199-L246 HydrophobicContact CD2-CB 3.99Å; L199-L246 HydrophobicContact CD2-CD2 3.89Å; L246-F296 HydrophobicContact CB-CB 4.1Å; L246-F296 PolarHBondContact O-N 2.78Å; L246-R298 HydrophobicContact CD1-CB 4.23Å; L246-L301 HydrophobicContact CD1-CD1 3.98Å
247F90.7Very high79.2Confident1 Ų166.5 Ų66.50%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-83.8142.5170.1-69.8-82.3000110.6L199 R200 H202 E245 E282 C284 V290 A293 F294 H295L199-F247 CarbonylContact C-O 3.49Å; L199-F247 WeakPolarHBondContact CA-O 3.5Å; R200-F247 HydrophobicContact CB-CB 4.24Å; R200-F247 PolarHBondContact N-O 2.91Å; H202-F247 AromaticContact CE1-CD2 3.98Å; E245-F247 HydrophobicContact CB-CD2 3.84Å; E245-F247 HydrophobicContact CB-CE2 3.6Å; E245-F247 HydrophobicContact CG-CE2 4.35Å; E245-F247 PolarHBondContact O-N 2.76Å; F247-E282 HydrophobicContact CE1-CG 3.71Å; F247-E282 WeakPolarHBondContact CE1-OE1 3.3Å; F247-E282 HydrophobicContact CZ-CG 3.91Å; F247-E282 VanDerWaalsContact CZ-OE1 3.25Å; F247-E282 WeakPolarHBondContact CZ-OE1 3.02Å; F247-C284 HydrophobicContact CE2-CB 4.01Å; F247-C284 HydrophobicContact CZ-CB 4.41Å; F247-V290 HydrophobicContact CB-CG1 4.18Å; F247-V290 HydrophobicContact CD1-CB 4.11Å; F247-V290 HydrophobicContact CD1-CG1 3.68Å; F247-V290 HydrophobicContact CD2-CG1 4.49Å; F247-V290 HydrophobicContact CD2-CG2 4.25Å; F247-V290 HydrophobicContact CE1-CB 4.06Å; F247-V290 HydrophobicContact CE1-CG1 4.15Å; F247-V290 HydrophobicContact CE1-CG2 4.44Å; F247-V290 HydrophobicContact CE2-CG2 4.18Å; F247-V290 HydrophobicContact CG-CB 4.42Å; F247-V290 HydrophobicContact CG-CG1 3.86Å; F247-V290 HydrophobicContact CG-CG2 4.43Å; F247-V290 HydrophobicContact CZ-CB 4.36Å; F247-V290 HydrophobicContact CZ-CG2 4.28Å; F247-A293 HydrophobicContact CD1-CB 4.4Å; F247-A293 HydrophobicContact CE1-CB 4.01Å; F247-F294 CarbonylContact C-O 3.53Å; F247-F294 WeakPolarHBondContact CA-O 3.34Å; F247-H295 HydrophobicContact CD1-CB 3.89Å; F247-H295 HydrophobicContact CE1-CB 3.61Å; F247-H295 AromaticContact CE1-CG 3.88Å; F247-H295 HydrophobicContact CZ-CB 4.21Å; F247-H295 AromaticContact CZ-CG 3.96Å; F247-H295 AromaticContact CZ-ND1 3.88Å
248C87.8Confident80.7Confident0 Ų061 Ų610%031%0.308CS..EExtended strand (participates in β ladder)trans-128.6166.9168.3-60.40000109.7Q198 F294 F296Q198-C248 WeakPolarHBondContact O-CB 3.4Å; Q198-C248 PolarHBondContact O-SG 2.94Å; Q198-C248 VanDerWaalsContact O-SG 3.38Å; C248-F294 PolarHBondContact N-O 2.62Å; C248-F294 WeakPolarHBondContact O-CB 3.41Å; C248-F296 HydrophobicContact CB-CE2 4.06Å
249D85.2Confident81.6Confident79 Ų7960.9 Ų60.942%0.42231%0.309SS..PPolyproline II helixtrans-70162.2156.9-70.1-35.4000110.2R200 L251R200-D249 IonicContact CZ-OD1 2.72Å; R200-D249 IonicContact NH1-OD1 2.82Å; R200-D249 PolarHBondContact NH1-OD1 2.95Å; D249-L251 PolarHBondContact O-N 3.14Å; D249-L251 VanDerWaalsContact O-N 3.14Å
250P84.5Confident82.3Confident43 Ų4360 Ų6028%0.27931%0.305SS..PPolyproline II helixtrans-59.1119.4178.2-15.427.2000110.7M255 W279 P292 F294P250-M255 HydrophobicContact CB-CE 3.27Å; P250-M255 HydrophobicContact CB-SD 4.05Å; P250-W279 HydrophobicContact CB-CH2 3.87Å; P250-W279 HydrophobicContact CB-CZ3 4.31Å; P250-W279 HydrophobicContact CG-CH2 3.75Å; P250-W279 HydrophobicContact CG-CZ3 3.66Å; P250-P292 HydrophobicContact CG-CB 4.46Å; P250-P292 HydrophobicContact CG-CG 3.7Å; P250-F294 HydrophobicContact CB-CD1 4.41Å; P250-F294 HydrophobicContact CB-CD2 4.16Å; P250-F294 HydrophobicContact CB-CE1 3.99Å; P250-F294 HydrophobicContact CB-CE2 3.74Å; P250-F294 HydrophobicContact CB-CG 4.5Å; P250-F294 HydrophobicContact CB-CZ 3.65Å; P250-F294 HydrophobicContact CG-CD2 3.88Å; P250-F294 HydrophobicContact CG-CE2 3.55Å; P250-F294 HydrophobicContact CG-CZ 4Å
251L88.4Confident82.4Confident16 Ų1658 Ų588%0.08430%0.297CS..PPolyproline II helixtrans-90.5150.2-178.5-56.2174.3000110.3F194 Q198 D249 W253 T254 M255 F296F194-L251 HydrophobicContact CB-CD1 3.7Å; F194-L251 HydrophobicContact CD1-CD1 4.34Å; F194-L251 HydrophobicContact CG-CD1 4.34Å; Q198-L251 HydrophobicContact CB-CD2 4.37Å; D249-L251 PolarHBondContact O-N 3.14Å; D249-L251 VanDerWaalsContact O-N 3.14Å; L251-W253 VanDerWaalsContact C-N 3.32Å; L251-W253 HydrophobicContact CD1-CZ2 4.38Å; L251-W253 PolarHBondContact O-N 2.84Å; L251-T254 HydrophobicContact CB-CG2 4.1Å; L251-T254 PolarHBondContact N-OG1 3.14Å; L251-T254 VanDerWaalsContact N-OG1 3.14Å; L251-T254 WeakPolarHBondContact O-CA 3.41Å; L251-T254 WeakPolarHBondContact O-CB 3.43Å; L251-T254 PolarHBondContact O-N 3.32Å; L251-T254 PolarHBondContact O-OG1 3.42Å; L251-M255 PolarHBondContact O-N 3.05Å; L251-F296 HydrophobicContact CD1-CE2 4.47Å; L251-F296 HydrophobicContact CD1-CZ 4.23Å
252E84.9Confident82.8Confident168 Ų16862.9 Ų62.979%0.78532%0.317SS*.Hα-helixtrans-48.3-50.9-179.2-173.4-176.3179.200112.7T254 M255E252-T254 PolarHBondContact O-N 2.92Å; E252-T254 VanDerWaalsContact O-N 3.15Å; E252-M255 WeakPolarHBondContact O-CB 3.46Å; E252-M255 PolarHBondContact O-N 2.61Å
253W89.9Confident83.5Confident57 Ų5760 Ų6022%0.21631%0.308CS..Hα-helixtrans-65-21.7-178.971-98.7000113.7L193 L251 Y266 P268 V274 F296L193-W253 HydrophobicContact CB-CZ2 3.99Å; L193-W253 HydrophobicContact CD2-CH2 4.38Å; L193-W253 HydrophobicContact CD2-CZ2 4.22Å; L193-W253 PolarHBondContact O-NE1 3.15Å; L251-W253 VanDerWaalsContact C-N 3.32Å; L251-W253 HydrophobicContact CD1-CZ2 4.38Å; L251-W253 PolarHBondContact O-N 2.84Å; W253-Y266 WeakPolarHBondContact CZ3-O 3.5Å; W253-P268 HydrophobicContact CE3-CG 4.22Å; W253-V274 HydrophobicContact CH2-CG2 4.14Å; W253-F296 AromaticContact CH2-CE1 3.69Å; W253-F296 HydrophobicContact CH2-CE1 3.69Å; W253-F296 HydrophobicContact CH2-CZ 4.08Å; W253-F296 AromaticContact CZ2-CE1 3.59Å; W253-F296 HydrophobicContact CZ2-CE1 3.59Å; W253-F296 AromaticContact CZ2-CZ 3.67Å; W253-F296 HydrophobicContact CZ2-CZ 3.67Å
254T87.7Confident84.2Confident2 Ų260.5 Ų60.51%0.01231%0.31CS..Hα-helixtrans-78-24177.264.90000112.1L251 E252 H256 N257 T258 L265 F294 F296L251-T254 HydrophobicContact CB-CG2 4.1Å; L251-T254 PolarHBondContact N-OG1 3.14Å; L251-T254 VanDerWaalsContact N-OG1 3.14Å; L251-T254 WeakPolarHBondContact O-CA 3.41Å; L251-T254 WeakPolarHBondContact O-CB 3.43Å; L251-T254 PolarHBondContact O-N 3.32Å; L251-T254 PolarHBondContact O-OG1 3.42Å; E252-T254 PolarHBondContact O-N 2.92Å; E252-T254 VanDerWaalsContact O-N 3.15Å; T254-H256 VanDerWaalsContact C-N 3.28Å; T254-H256 PolarHBondContact O-N 2.91Å; T254-N257 PolarHBondContact O-N 2.86Å; T254-T258 WeakPolarHBondContact O-CG2 3.28Å; T254-L265 HydrophobicContact CG2-CD2 3.94Å; T254-F294 HydrophobicContact CG2-CD1 4.4Å; T254-F294 WeakPolarHBondContact OG1-CE1 3.37Å; T254-F296 HydrophobicContact CG2-CZ 4.39Å
255M79.1Confident84.9Confident70 Ų7057.5 Ų57.535%0.34529%0.294SS..Hα-helixtrans-63.8-30.1-171-64.8-61.790.600114P250 L251 E252 N257 T258 W279 F294P250-M255 HydrophobicContact CB-CE 3.27Å; P250-M255 HydrophobicContact CB-SD 4.05Å; L251-M255 PolarHBondContact O-N 3.05Å; E252-M255 WeakPolarHBondContact O-CB 3.46Å; E252-M255 PolarHBondContact O-N 2.61Å; M255-N257 PolarHBondContact O-N 3.41Å; M255-N257 VanDerWaalsContact O-N 3.15Å; M255-T258 WeakPolarHBondContact CA-OG1 3.42Å; M255-T258 HydrophobicContact CE-CG2 4.34Å; M255-T258 WeakPolarHBondContact CE-OG1 3.39Å; M255-T258 PolarHBondContact O-N 2.83Å; M255-T258 PolarHBondContact O-OG1 3.26Å; M255-W279 HydrophobicContact CE-CH2 4.03Å; M255-W279 HydrophobicContact CE-CZ2 3.93Å; M255-W279 HydrophobicContact SD-CH2 4.06Å; M255-W279 HydrophobicContact SD-CZ2 4.19Å; M255-F294 HydrophobicContact CE-CE1 3.74Å; M255-F294 HydrophobicContact CE-CZ 3.75Å
256H74.2Confident85.2Confident152 Ų15259.1 Ų59.170%0.70430%0.299SS*.THydrogen-bonded Turntrans-64.8-18.8-179.9-56.4-57.6000113.9T254T254-H256 VanDerWaalsContact C-N 3.28Å; T254-H256 PolarHBondContact O-N 2.91Å
257N73.4Confident85.4Confident103 Ų10358.9 Ų58.955%0.55130%0.298SS*.THydrogen-bonded Turntrans-123.613.7-175.1-67.383.4000113.2T254 M255T254-N257 PolarHBondContact O-N 2.86Å; M255-N257 PolarHBondContact O-N 3.41Å; M255-N257 VanDerWaalsContact O-N 3.15Å
258T79Confident85.6Confident3 Ų362.9 Ų62.92%0.01832%0.323CS..  trans-115.631.7-176.261.60000113.2M88 T254 M255 D260 L265 F277 W279 F294M88-T258 WeakPolarHBondContact CE-O 3.45Å; M88-T258 VanDerWaalsContact SD-O 3.37Å; T254-T258 WeakPolarHBondContact O-CG2 3.28Å; M255-T258 WeakPolarHBondContact CA-OG1 3.42Å; M255-T258 HydrophobicContact CE-CG2 4.34Å; M255-T258 WeakPolarHBondContact CE-OG1 3.39Å; M255-T258 PolarHBondContact O-N 2.83Å; M255-T258 PolarHBondContact O-OG1 3.26Å; T258-D260 VanDerWaalsContact C-N 3.3Å; T258-L265 HydrophobicContact CG2-CD2 4.17Å; T258-F277 HydrophobicContact CG2-CD1 3.61Å; T258-F277 HydrophobicContact CG2-CD2 4Å; T258-F277 HydrophobicContact CG2-CE1 3.59Å; T258-F277 HydrophobicContact CG2-CE2 4Å; T258-F277 HydrophobicContact CG2-CG 3.82Å; T258-F277 HydrophobicContact CG2-CZ 3.81Å; T258-W279 PolarHBondContact O-NE1 3Å; T258-W279 VanDerWaalsContact O-NE1 3.11Å; T258-F294 HydrophobicContact CG2-CE1 3.61Å; T258-F294 HydrophobicContact CG2-CZ 3.89Å
259S74.8Confident85.9Confident62 Ų6265.3 Ų65.343%0.43435%0.349SS..  trans-68.9-28.1176.751.80000113.1M88M88-S259 VanDerWaalsContact CE-O 3.31Å; M88-S259 WeakPolarHBondContact CE-O 3.37Å
260D79.4Confident86.4Confident111 Ų11163.1 Ų63.159%0.59434%0.339SS*.SBendtrans-75.1162.2170.2-68.4-45.4000111.6M88 T258 Q262 F277M88-D260 VanDerWaalsContact CE-O 3.27Å; M88-D260 WeakPolarHBondContact CE-O 3.35Å; T258-D260 VanDerWaalsContact C-N 3.3Å; D260-Q262 VanDerWaalsContact C-N 3.3Å; D260-Q262 PolarHBondContact O-N 3.19Å; D260-F277 VanDerWaalsContact O-CE2 3.3Å; D260-F277 WeakPolarHBondContact O-CE2 3.38Å
261V74.8Confident87Confident16 Ų1666.7 Ų66.710%0.09736%0.356CS..SBendtrans-70.7-29.1178.5-1790000112.2V90 W279 C280V90-V261 HydrophobicContact CG2-CB 4.44Å; V90-V261 HydrophobicContact CG2-CG1 3.84Å; V90-V261 HydrophobicContact CG2-CG2 3.95Å; V261-W279 HydrophobicContact CG1-CB 4.35Å; V261-W279 VanDerWaalsContact O-CD1 3.25Å; V261-W279 PolarHBondContact O-N 3.29Å; V261-C280 VanDerWaalsContact CG1-SG 3.6Å
262Q85.3Confident87.4Confident120 Ų12067 Ų6756%0.56136%0.361SS*.EExtended strand (participates in β ladder)trans-146.8152.6177.663.8-179.48.100109.8D260 F277 N278D260-Q262 VanDerWaalsContact C-N 3.3Å; D260-Q262 PolarHBondContact O-N 3.19Å; Q262-F277 CarbonylContact C-O 3.6Å; Q262-F277 VanDerWaalsContact CA-O 3.24Å; Q262-F277 WeakPolarHBondContact CA-O 3.39Å; Q262-N278 HydrophobicContact CB-CB 4.26Å
263G91.7Very high88Confident27 Ų2763.4 Ų63.428%0.27834%0.343SS..EExtended strand (participates in β ladder)trans-179.4-166.6-177.300000114.7S276 F277G263-S276 CarbonylContact O-C 3.58Å; G263-S276 VanDerWaalsContact O-CA 3.24Å; G263-S276 WeakPolarHBondContact O-CA 3.41Å; G263-S276 VanDerWaalsContact O-CB 3.28Å; G263-S276 WeakPolarHBondContact O-CB 3.33Å; G263-F277 PolarHBondContact N-O 3.15Å; G263-F277 PolarHBondContact O-N 2.87Å
264K95.6Very high88.3Confident112 Ų11260.7 Ų60.749%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-106.3140.2-179-64.4174.8-179.2171.80109.4Y266 K273K264-Y266 HydrophobicContact CB-CD2 4.44Å; K264-Y266 HydrophobicContact CB-CE2 3.66Å; K264-Y266 VanDerWaalsContact CD-OH 3.27Å; K264-Y266 WeakPolarHBondContact CD-OH 3.36Å; K264-K273 HydrophobicContact CD-CD 4.19Å; K264-K273 HydrophobicContact CG-CD 4.4Å
265L95.3Very high88.8Confident2 Ų260.7 Ų60.71%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-94.7130.3173.2-63.2172.6000109.5T254 T258 K273 V274 G275 F277 F294 F296T254-L265 HydrophobicContact CG2-CD2 3.94Å; T258-L265 HydrophobicContact CG2-CD2 4.17Å; L265-K273 CarbonylContact O-C 3.56Å; L265-K273 WeakPolarHBondContact O-CA 3.46Å; L265-V274 HydrophobicContact CB-CG2 4.03Å; L265-V274 WeakPolarHBondContact O-CG2 3.44Å; L265-V274 PolarHBondContact O-N 3.38Å; L265-G275 PolarHBondContact N-O 2.84Å; L265-G275 PolarHBondContact O-N 3.22Å; L265-F277 HydrophobicContact CD2-CB 4.33Å; L265-F277 HydrophobicContact CD2-CD1 3.71Å; L265-F277 HydrophobicContact CD2-CG 4.39Å; L265-F277 HydrophobicContact CG-CB 4.4Å; L265-F277 HydrophobicContact CG-CD1 4.12Å; L265-F294 HydrophobicContact CD1-CD1 4.25Å; L265-F294 HydrophobicContact CD2-CD1 4.3Å; L265-F294 HydrophobicContact CD2-CE1 4.39Å; L265-F296 HydrophobicContact CD1-CD1 4.44Å; L265-F296 HydrophobicContact CD1-CE1 3.92Å; L265-F296 HydrophobicContact CD1-CE2 4.42Å; L265-F296 HydrophobicContact CD1-CZ 3.91Å
266Y95.5Very high89.5Confident91 Ų9159.3 Ų59.336%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-118.2139.1179.3-60.4-84.9000110.7W253 K264 N271 A272 K273W253-Y266 WeakPolarHBondContact CZ3-O 3.5Å; K264-Y266 HydrophobicContact CB-CD2 4.44Å; K264-Y266 HydrophobicContact CB-CE2 3.66Å; K264-Y266 VanDerWaalsContact CD-OH 3.27Å; K264-Y266 WeakPolarHBondContact CD-OH 3.36Å; Y266-N271 WeakPolarHBondContact CB-OD1 3.28Å; Y266-N271 WeakPolarHBondContact CD1-O 3.44Å; Y266-A272 CarbonylContact C-O 3.5Å; Y266-A272 WeakPolarHBondContact CA-O 3.34Å; Y266-K273 HydrophobicContact CD1-CB 4.14Å; Y266-K273 HydrophobicContact CE1-CB 4.03Å
267C96.3Very high90.4Very high2 Ų252.3 Ų52.31%0.01430%0.298CS..  trans-61.7128.5179.2174.30000110.9C186 C189 G269 C270 N271 A272 V274C186-C267 HydrophobicContact CB-CB 4.17Å; C186-C267 VanDerWaalsContact CB-SG 3.51Å; C186-C267 VanDerWaalsContact SG-SG 3.64Å; C189-C267 PolarHBondContact SG-SG 2.84Å; C267-G269 PolarHBondContact O-N 3.15Å; C267-G269 PolarHBondContact SG-N 3.08Å; C267-G269 VanDerWaalsContact SG-N 3.39Å; C267-C270 PolarHBondContact O-N 3.37Å; C267-N271 VanDerWaalsContact O-CA 3.23Å; C267-N271 WeakPolarHBondContact O-CA 3.37Å; C267-N271 PolarHBondContact O-N 3.23Å; C267-A272 PolarHBondContact N-O 3.46Å; C267-V274 HydrophobicContact CB-CG1 3.83Å
268P94.7Very high91.1Very high84 Ų8448.7 Ų48.755%0.54528%0.278SS..THydrogen-bonded Turntrans-65.9-21.1-179.726.5-34.5000113.2Q191 L193 W253Q191-P268 HydrophobicContact CG-CG 4.42Å; L193-P268 HydrophobicContact CD2-CG 4.46Å; W253-P268 HydrophobicContact CE3-CG 4.22Å
269G94.5Very high91.2Very high51 Ų5150.6 Ų50.653%0.52629%0.285SS..THydrogen-bonded Turntrans-86.4-30.7-179.900000115.2C267C267-G269 PolarHBondContact O-N 3.15Å; C267-G269 PolarHBondContact SG-N 3.08Å; C267-G269 VanDerWaalsContact SG-N 3.39Å
270C96.6Very high91.5Very high34 Ų3448.3 Ų48.323%0.2327%0.269CS..THydrogen-bonded Turntrans-141.96.5-173.470.20000115.3C186 K188 C189 C267 A272C186-C270 VanDerWaalsContact SG-SG 3.61Å; K188-C270 HydrophobicContact CD-CB 4.37Å; C189-C270 HydrophobicContact CB-CB 3.7Å; C189-C270 PolarHBondContact SG-SG 3.46Å; C267-C270 PolarHBondContact O-N 3.37Å; C270-A272 PolarHBondContact O-N 2.89Å
271N95.6Very high91.8Very high118 Ų11843 Ų4363%0.63124%0.241SC*.  trans56.116.4-179.6-154.534.8000115.5Y266 C267Y266-N271 WeakPolarHBondContact CB-OD1 3.28Å; Y266-N271 WeakPolarHBondContact CD1-O 3.44Å; C267-N271 VanDerWaalsContact O-CA 3.23Å; C267-N271 WeakPolarHBondContact O-CA 3.37Å; C267-N271 PolarHBondContact O-N 3.23Å
272A96.9Very high92.2Very high23 Ų2344 Ų4419%0.1924%0.244CC..  trans-69.2139.9172.600000110.3K188 Y266 C267 C270 V274K188-A272 HydrophobicContact CB-CB 4.21Å; K188-A272 HydrophobicContact CD-CB 3.8Å; Y266-A272 CarbonylContact C-O 3.5Å; Y266-A272 WeakPolarHBondContact CA-O 3.34Å; C267-A272 PolarHBondContact N-O 3.46Å; C270-A272 PolarHBondContact O-N 2.89Å; A272-V274 PolarHBondContact O-N 3.16Å
273K97.1Very high92.2Very high91 Ų9142.3 Ų42.340%0.39624%0.244SC..EExtended strand (participates in β ladder)trans-62.1123.5172.8-174.3-172.2177.8-169.60109.2K264 L265 Y266 G275 H300K264-K273 HydrophobicContact CD-CD 4.19Å; K264-K273 HydrophobicContact CG-CD 4.4Å; L265-K273 CarbonylContact O-C 3.56Å; L265-K273 WeakPolarHBondContact O-CA 3.46Å; Y266-K273 HydrophobicContact CD1-CB 4.14Å; Y266-K273 HydrophobicContact CE1-CB 4.03Å; K273-G275 VanDerWaalsContact CE-O 3.28Å; K273-G275 WeakPolarHBondContact CE-O 3.44Å; K273-H300 PolarHBondContact O-ND1 2.76Å
274V97.3Very high92.1Very high0 Ų041.3 Ų41.30%023%0.232CC..EExtended strand (participates in β ladder)trans-113.6-14.7-179.9-69.20000113.2L193 W253 L265 C267 A272 F296 N297 L301L193-V274 HydrophobicContact CD1-CB 4Å; L193-V274 HydrophobicContact CD1-CG1 3.8Å; L193-V274 HydrophobicContact CD1-CG2 4.13Å; W253-V274 HydrophobicContact CH2-CG2 4.14Å; L265-V274 HydrophobicContact CB-CG2 4.03Å; L265-V274 WeakPolarHBondContact O-CG2 3.44Å; L265-V274 PolarHBondContact O-N 3.38Å; C267-V274 HydrophobicContact CB-CG1 3.83Å; A272-V274 PolarHBondContact O-N 3.16Å; V274-F296 HydrophobicContact CB-CD1 4.46Å; V274-F296 HydrophobicContact CG2-CD1 4.22Å; V274-F296 HydrophobicContact CG2-CE1 4.18Å; V274-N297 PolarHBondContact O-N 2.85Å; V274-L301 HydrophobicContact CB-CD2 4.25Å; V274-L301 HydrophobicContact CG1-CD2 4.27Å
275G96.7Very high91.7Very high3 Ų340.4 Ų40.43%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-178.3-159.4-178.200000112.8L265 K273 H295L265-G275 PolarHBondContact N-O 2.84Å; L265-G275 PolarHBondContact O-N 3.22Å; K273-G275 VanDerWaalsContact CE-O 3.28Å; K273-G275 WeakPolarHBondContact CE-O 3.44Å; G275-H295 CarbonylContact C-O 3.58Å; G275-H295 WeakPolarHBondContact CA-O 3.19Å
276S95.6Very high91.2Very high40 Ų4041.5 Ų41.528%0.2824%0.243SC..EExtended strand (participates in β ladder)trans-143.3161.5173.738.60000110.1G263 H295G263-S276 CarbonylContact O-C 3.58Å; G263-S276 VanDerWaalsContact O-CA 3.24Å; G263-S276 WeakPolarHBondContact O-CA 3.41Å; G263-S276 VanDerWaalsContact O-CB 3.28Å; G263-S276 WeakPolarHBondContact O-CB 3.33Å; S276-H295 PolarHBondContact N-O 3.07Å; S276-H295 PolarHBondContact O-N 3.13Å; S276-H295 VanDerWaalsContact O-O 3.14Å
277F91.6Very high90.6Very high6 Ų639.7 Ų39.73%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-131.7150.2171.971.5-87.9000111.3T258 D260 Q262 G263 L265 W279 A293 F294T258-F277 HydrophobicContact CG2-CD1 3.61Å; T258-F277 HydrophobicContact CG2-CD2 4Å; T258-F277 HydrophobicContact CG2-CE1 3.59Å; T258-F277 HydrophobicContact CG2-CE2 4Å; T258-F277 HydrophobicContact CG2-CG 3.82Å; T258-F277 HydrophobicContact CG2-CZ 3.81Å; D260-F277 VanDerWaalsContact O-CE2 3.3Å; D260-F277 WeakPolarHBondContact O-CE2 3.38Å; Q262-F277 CarbonylContact C-O 3.6Å; Q262-F277 VanDerWaalsContact CA-O 3.24Å; Q262-F277 WeakPolarHBondContact CA-O 3.39Å; G263-F277 PolarHBondContact N-O 3.15Å; G263-F277 PolarHBondContact O-N 2.87Å; L265-F277 HydrophobicContact CD2-CB 4.33Å; L265-F277 HydrophobicContact CD2-CD1 3.71Å; L265-F277 HydrophobicContact CD2-CG 4.39Å; L265-F277 HydrophobicContact CG-CB 4.4Å; L265-F277 HydrophobicContact CG-CD1 4.12Å; F277-W279 AromaticContact CD2-CD1 3.8Å; F277-W279 AromaticContact CD2-NE1 3.83Å; F277-W279 AromaticContact CE2-CD1 3.74Å; F277-W279 AromaticContact CE2-NE1 3.72Å; F277-A293 CarbonylContact C-O 3.53Å; F277-A293 WeakPolarHBondContact CA-O 3.17Å; F277-F294 HydrophobicContact CB-CD1 3.87Å; F277-F294 HydrophobicContact CB-CD2 4.16Å; F277-F294 HydrophobicContact CB-CE1 3.86Å; F277-F294 HydrophobicContact CB-CE2 4.11Å; F277-F294 HydrophobicContact CB-CG 4.01Å; F277-F294 HydrophobicContact CB-CZ 3.96Å; F277-F294 HydrophobicContact CD2-CZ 4.29Å; F277-F294 HydrophobicContact CG-CE1 4.28Å; F277-F294 HydrophobicContact CG-CZ 4.26Å
278N88Confident90Very high27 Ų2740.7 Ų40.714%0.14426%0.259CS..EExtended strand (participates in β ladder)trans-142.4115.1167.1-172.4-14.1000109.7Q262 C280 G281 A293Q262-N278 HydrophobicContact CB-CB 4.26Å; N278-C280 PolarHBondContact O-N 3.2Å; N278-C280 WeakPolarHBondContact OD1-CB 3.37Å; N278-C280 PolarHBondContact OD1-N 2.93Å; N278-G281 PolarHBondContact ND2-O 3.47Å; N278-G281 WeakPolarHBondContact O-CA 3.35Å; N278-G281 PolarHBondContact O-N 3.46Å; N278-A293 HydrophobicContact CB-CB 4.36Å; N278-A293 PolarHBondContact N-O 3.42Å; N278-A293 PolarHBondContact O-N 2.82Å
279W81.7Confident89.5Confident43 Ų4342.9 Ų42.916%0.16326%0.256CS..THydrogen-bonded Turntrans-66.9-25.2178.9-72.4103000113.2M88 V90 P250 M255 T258 V261 F277 V291 P292 F294M88-W279 HydrophobicContact CE-CD2 4.43Å; M88-W279 HydrophobicContact CE-CG 4.2Å; M88-W279 VanDerWaalsContact CE-NE1 3.27Å; M88-W279 HydrophobicContact CG-CD2 3.85Å; M88-W279 HydrophobicContact CG-CE3 4.16Å; M88-W279 HydrophobicContact CG-CG 4.31Å; M88-W279 HydrophobicContact CG-CH2 4.22Å; M88-W279 HydrophobicContact CG-CZ2 3.9Å; M88-W279 HydrophobicContact CG-CZ3 4.34Å; M88-W279 HydrophobicContact SD-CD2 4.38Å; M88-W279 HydrophobicContact SD-CZ2 3.79Å; V90-W279 HydrophobicContact CG1-CB 4.48Å; V90-W279 HydrophobicContact CG2-CB 4.03Å; P250-W279 HydrophobicContact CB-CH2 3.87Å; P250-W279 HydrophobicContact CB-CZ3 4.31Å; P250-W279 HydrophobicContact CG-CH2 3.75Å; P250-W279 HydrophobicContact CG-CZ3 3.66Å; M255-W279 HydrophobicContact CE-CH2 4.03Å; M255-W279 HydrophobicContact CE-CZ2 3.93Å; M255-W279 HydrophobicContact SD-CH2 4.06Å; M255-W279 HydrophobicContact SD-CZ2 4.19Å; T258-W279 PolarHBondContact O-NE1 3Å; T258-W279 VanDerWaalsContact O-NE1 3.11Å; V261-W279 HydrophobicContact CG1-CB 4.35Å; V261-W279 VanDerWaalsContact O-CD1 3.25Å; V261-W279 PolarHBondContact O-N 3.29Å; F277-W279 AromaticContact CD2-CD1 3.8Å; F277-W279 AromaticContact CD2-NE1 3.83Å; F277-W279 AromaticContact CE2-CD1 3.74Å; F277-W279 AromaticContact CE2-NE1 3.72Å; W279-V291 WeakPolarHBondContact O-CG2 3.5Å; W279-P292 HydrophobicContact CE3-CB 3.97Å; W279-P292 HydrophobicContact CZ3-CB 4.44Å; W279-F294 HydrophobicContact CD2-CE2 4.18Å; W279-F294 HydrophobicContact CD2-CZ 4.41Å; W279-F294 AromaticContact CE2-CZ 3.86Å; W279-F294 HydrophobicContact CE3-CE2 4.24Å; W279-F294 HydrophobicContact CH2-CE2 4.19Å; W279-F294 HydrophobicContact CH2-CZ 4.03Å; W279-F294 HydrophobicContact CZ2-CE2 4.13Å; W279-F294 AromaticContact CZ2-CZ 3.67Å; W279-F294 HydrophobicContact CZ2-CZ 3.67Å; W279-F294 HydrophobicContact CZ3-CE2 4.25Å
280C80.6Confident89Confident13 Ų1340.6 Ų40.69%0.08823%0.232CC..THydrogen-bonded Turntrans-81.8-4.5172.9-60.20000112.8F123 V261 N278 W289F123-C280 HydrophobicContact CB-CB 4.06Å; V261-C280 VanDerWaalsContact CG1-SG 3.6Å; N278-C280 PolarHBondContact O-N 3.2Å; N278-C280 WeakPolarHBondContact OD1-CB 3.37Å; N278-C280 PolarHBondContact OD1-N 2.93Å; C280-W289 WeakPolarHBondContact O-CZ2 3.27Å; C280-W289 PolarHBondContact O-NE1 2.68Å
281G85.7Confident88.3Confident0 Ų040.8 Ų40.80%023%0.232CC..  trans90.5173.3-178.500000114.4N278 W289 V290N278-G281 PolarHBondContact ND2-O 3.47Å; N278-G281 WeakPolarHBondContact O-CA 3.35Å; N278-G281 PolarHBondContact O-N 3.46Å; G281-W289 WeakPolarHBondContact O-CZ2 3.22Å; G281-V290 CarbonylContact C-O 3.57Å; G281-V290 WeakPolarHBondContact CA-O 3.23Å
282E84.2Confident87.8Confident36 Ų3636.5 Ų36.517%0.16821%0.21CC..EExtended strand (participates in β ladder)trans-146.5155.617681.8-171.9-164.600110.2F247 C284 V290 A293 H295F247-E282 HydrophobicContact CE1-CG 3.71Å; F247-E282 WeakPolarHBondContact CE1-OE1 3.3Å; F247-E282 HydrophobicContact CZ-CG 3.91Å; F247-E282 VanDerWaalsContact CZ-OE1 3.25Å; F247-E282 WeakPolarHBondContact CZ-OE1 3.02Å; E282-C284 PolarHBondContact O-N 3.39Å; E282-V290 PolarHBondContact N-O 3.08Å; E282-V290 PolarHBondContact O-N 2.65Å; E282-A293 HydrophobicContact CB-CB 3.84Å; E282-A293 HydrophobicContact CG-CB 3.49Å; E282-A293 VanDerWaalsContact CG-CB 3.49Å; E282-H295 WeakPolarHBondContact OE1-CB 3.16Å; E282-H295 IonicContact OE1-CE1 3.92Å; E282-H295 IonicContact OE1-CG 2.61Å; E282-H295 IonicContact OE1-ND1 3.01Å; E282-H295 PolarHBondContact OE1-ND1 2.93Å
283P85.9Confident87.4Confident86 Ų8635.4 Ų35.456%0.55820%0.201SC*.EExtended strand (participates in β ladder)trans-74.7124.3175.230.3-31.4000109.9W289P283-W289 HydrophobicContact CB-CE3 4.21Å; P283-W289 HydrophobicContact CB-CZ3 4.32Å; P283-W289 HydrophobicContact CG-CZ3 4.26Å
284C89.4Confident87.2Confident5 Ų531.1 Ų31.13%0.03418%0.183CC..  trans-67.7154.5164.2179.60000109.8H202 F247 E282 C286 G287 T288 V290H202-C284 VanDerWaalsContact CE1-SG 3.59Å; H202-C284 PolarHBondContact NE2-SG 3.4Å; F247-C284 HydrophobicContact CE2-CB 4.01Å; F247-C284 HydrophobicContact CZ-CB 4.41Å; E282-C284 PolarHBondContact O-N 3.39Å; C284-C286 PolarHBondContact O-N 3.18Å; C284-C286 PolarHBondContact SG-SG 2.69Å; C284-G287 WeakPolarHBondContact O-CA 3.39Å; C284-G287 PolarHBondContact O-N 2.68Å; C284-T288 WeakPolarHBondContact CB-O 3.48Å; C284-T288 PolarHBondContact N-O 2.91Å; C284-V290 HydrophobicContact CB-CG2 4.01Å
285V87.2Confident87Confident94 Ų9432.7 Ų32.757%0.5719%0.19SC*.THydrogen-bonded Turntrans-61.3-14.1175-54.60000113.8K243 E245 G287K243-V285 HydrophobicContact CB-CG2 3.31Å; K243-V285 HydrophobicContact CD-CG2 4.06Å; K243-V285 HydrophobicContact CG-CG2 3.54Å; E245-V285 HydrophobicContact CG-CG2 3.81Å; V285-G287 VanDerWaalsContact C-N 3.29Å
286C83.9Confident87Confident24 Ų2432.6 Ų32.616%0.16219%0.189CC..THydrogen-bonded Turntrans-81.2-6.417071.50000113.9H202 K204 P205 K243 C284 T288H202-C286 PolarHBondContact NE2-SG 2.82Å; H202-C286 VanDerWaalsContact NE2-SG 3.36Å; K204-C286 HydrophobicContact CG-CB 4.24Å; P205-C286 WeakPolarHBondContact CD-O 3.48Å; K243-C286 HydrophobicContact CG-CB 3.92Å; C284-C286 PolarHBondContact O-N 3.18Å; C284-C286 PolarHBondContact SG-SG 2.69Å; C286-T288 PolarHBondContact SG-OG1 2.89Å
287G83.7Confident86.9Confident53 Ų5333.7 Ų33.755%0.54619%0.192SC..SBendtrans95.5-13.6-177.500000114.5C284 V285C284-G287 WeakPolarHBondContact O-CA 3.39Å; C284-G287 PolarHBondContact O-N 2.68Å; V285-G287 VanDerWaalsContact C-N 3.29Å
288T83.7Confident87Confident24 Ų2441.3 Ų41.315%0.14722%0.22CC..PPolyproline II helixtrans-70.5132.9178.6-53.60000111.1H202 Q203 P205 C284 C286 V290H202-T288 HydrophobicContact CB-CG2 4.29Å; Q203-T288 WeakPolarHBondContact O-CB 3.45Å; Q203-T288 VanDerWaalsContact O-CG2 3.29Å; Q203-T288 WeakPolarHBondContact O-CG2 3.34Å; Q203-T288 PolarHBondContact O-OG1 3Å; P205-T288 VanDerWaalsContact CD-OG1 3.28Å; P205-T288 WeakPolarHBondContact CD-OG1 3.49Å; C284-T288 WeakPolarHBondContact CB-O 3.48Å; C284-T288 PolarHBondContact N-O 2.91Å; C286-T288 PolarHBondContact SG-OG1 2.89Å; T288-V290 PolarHBondContact O-N 2.96Å
289W83.9Confident87.3Confident130 Ų13045.9 Ų45.949%0.49225%0.245SC..EExtended strand (participates in β ladder)trans-75.7117.4169.2-166.1-96.3000109.9F123 C280 G281 P283F123-W289 AromaticContact CE2-NE1 3.78Å; F123-W289 AromaticContact CZ-NE1 3.97Å; C280-W289 WeakPolarHBondContact O-CZ2 3.27Å; C280-W289 PolarHBondContact O-NE1 2.68Å; G281-W289 WeakPolarHBondContact O-CZ2 3.22Å; P283-W289 HydrophobicContact CB-CE3 4.21Å; P283-W289 HydrophobicContact CB-CZ3 4.32Å; P283-W289 HydrophobicContact CG-CZ3 4.26Å
290V84.7Confident88Confident3 Ų347.1 Ų47.12%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-102.1127.3179.3-177.20000108.9H202 F247 G281 E282 C284 T288H202-V290 HydrophobicContact CB-CG2 4.48Å; F247-V290 HydrophobicContact CB-CG1 4.18Å; F247-V290 HydrophobicContact CD1-CB 4.11Å; F247-V290 HydrophobicContact CD1-CG1 3.68Å; F247-V290 HydrophobicContact CD2-CG1 4.49Å; F247-V290 HydrophobicContact CD2-CG2 4.25Å; F247-V290 HydrophobicContact CE1-CB 4.06Å; F247-V290 HydrophobicContact CE1-CG1 4.15Å; F247-V290 HydrophobicContact CE1-CG2 4.44Å; F247-V290 HydrophobicContact CE2-CG2 4.18Å; F247-V290 HydrophobicContact CG-CB 4.42Å; F247-V290 HydrophobicContact CG-CG1 3.86Å; F247-V290 HydrophobicContact CG-CG2 4.43Å; F247-V290 HydrophobicContact CZ-CB 4.36Å; F247-V290 HydrophobicContact CZ-CG2 4.28Å; G281-V290 CarbonylContact C-O 3.57Å; G281-V290 WeakPolarHBondContact CA-O 3.23Å; E282-V290 PolarHBondContact N-O 3.08Å; E282-V290 PolarHBondContact O-N 2.65Å; C284-V290 HydrophobicContact CB-CG2 4.01Å; T288-V290 PolarHBondContact O-N 2.96Å
291V80.6Confident88.7Confident38 Ų3847 Ų4723%0.2325%0.251CS..SBendtrans-144.5134.4-177.862.70000112.3F123 R200 W279F123-V291 HydrophobicContact CD1-CG1 4.43Å; F123-V291 HydrophobicContact CD1-CG2 3.65Å; F123-V291 HydrophobicContact CE1-CB 4.13Å; F123-V291 HydrophobicContact CE1-CG1 3.67Å; F123-V291 HydrophobicContact CE1-CG2 3.74Å; F123-V291 HydrophobicContact CG-CG2 4.36Å; F123-V291 HydrophobicContact CZ-CG1 4.18Å; F123-V291 HydrophobicContact CZ-CG2 4.5Å; R200-V291 PolarHBondContact NH1-O 3.21Å; R200-V291 PolarHBondContact NH2-O 3.38Å; R200-V291 VanDerWaalsContact NH2-O 3.12Å; W279-V291 WeakPolarHBondContact O-CG2 3.5Å
292P84.6Confident89.1Confident27 Ų2748.1 Ų48.118%0.17526%0.257CS..SBendcis-61.4152.1-16.431.5-36000110.2P250 W279 F294P250-P292 HydrophobicContact CG-CB 4.46Å; P250-P292 HydrophobicContact CG-CG 3.7Å; W279-P292 HydrophobicContact CE3-CB 3.97Å; W279-P292 HydrophobicContact CZ3-CB 4.44Å; P292-F294 HydrophobicContact CB-CD2 4.11Å; P292-F294 HydrophobicContact CB-CE2 4.07Å; P292-F294 HydrophobicContact CG-CD2 4.39Å; P292-F294 HydrophobicContact CG-CE2 4.5Å
293A88.5Confident89.6Confident0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-98.293.3-179.600000110.1F247 F277 N278 E282F247-A293 HydrophobicContact CD1-CB 4.4Å; F247-A293 HydrophobicContact CE1-CB 4.01Å; F277-A293 CarbonylContact C-O 3.53Å; F277-A293 WeakPolarHBondContact CA-O 3.17Å; N278-A293 HydrophobicContact CB-CB 4.36Å; N278-A293 PolarHBondContact N-O 3.42Å; N278-A293 PolarHBondContact O-N 2.82Å; E282-A293 HydrophobicContact CB-CB 3.84Å; E282-A293 HydrophobicContact CG-CB 3.49Å; E282-A293 VanDerWaalsContact CG-CB 3.49Å
294F92.6Very high89.9Confident1 Ų148.2 Ų48.20%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-100.994.3167.6-78.8-114000108.4F247 C248 P250 T254 M255 T258 L265 F277 W279 P292F247-F294 CarbonylContact C-O 3.53Å; F247-F294 WeakPolarHBondContact CA-O 3.34Å; C248-F294 PolarHBondContact N-O 2.62Å; C248-F294 WeakPolarHBondContact O-CB 3.41Å; P250-F294 HydrophobicContact CB-CD1 4.41Å; P250-F294 HydrophobicContact CB-CD2 4.16Å; P250-F294 HydrophobicContact CB-CE1 3.99Å; P250-F294 HydrophobicContact CB-CE2 3.74Å; P250-F294 HydrophobicContact CB-CG 4.5Å; P250-F294 HydrophobicContact CB-CZ 3.65Å; P250-F294 HydrophobicContact CG-CD2 3.88Å; P250-F294 HydrophobicContact CG-CE2 3.55Å; P250-F294 HydrophobicContact CG-CZ 4Å; T254-F294 HydrophobicContact CG2-CD1 4.4Å; T254-F294 WeakPolarHBondContact OG1-CE1 3.37Å; M255-F294 HydrophobicContact CE-CE1 3.74Å; M255-F294 HydrophobicContact CE-CZ 3.75Å; T258-F294 HydrophobicContact CG2-CE1 3.61Å; T258-F294 HydrophobicContact CG2-CZ 3.89Å; L265-F294 HydrophobicContact CD1-CD1 4.25Å; L265-F294 HydrophobicContact CD2-CD1 4.3Å; L265-F294 HydrophobicContact CD2-CE1 4.39Å; F277-F294 HydrophobicContact CB-CD1 3.87Å; F277-F294 HydrophobicContact CB-CD2 4.16Å; F277-F294 HydrophobicContact CB-CE1 3.86Å; F277-F294 HydrophobicContact CB-CE2 4.11Å; F277-F294 HydrophobicContact CB-CG 4.01Å; F277-F294 HydrophobicContact CB-CZ 3.96Å; F277-F294 HydrophobicContact CD2-CZ 4.29Å; F277-F294 HydrophobicContact CG-CE1 4.28Å; F277-F294 HydrophobicContact CG-CZ 4.26Å; W279-F294 HydrophobicContact CD2-CE2 4.18Å; W279-F294 HydrophobicContact CD2-CZ 4.41Å; W279-F294 AromaticContact CE2-CZ 3.86Å; W279-F294 HydrophobicContact CE3-CE2 4.24Å; W279-F294 HydrophobicContact CH2-CE2 4.19Å; W279-F294 HydrophobicContact CH2-CZ 4.03Å; W279-F294 HydrophobicContact CZ2-CE2 4.13Å; W279-F294 AromaticContact CZ2-CZ 3.67Å; W279-F294 HydrophobicContact CZ2-CZ 3.67Å; W279-F294 HydrophobicContact CZ3-CE2 4.25Å; P292-F294 HydrophobicContact CB-CD2 4.11Å; P292-F294 HydrophobicContact CB-CE2 4.07Å; P292-F294 HydrophobicContact CG-CD2 4.39Å; P292-F294 HydrophobicContact CG-CE2 4.5Å
295H94.9Very high90Very high33 Ų3351.3 Ų51.315%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-107.8119-168.8-176.2-171000111.8E245 F247 G275 S276 E282E245-H295 IonicContact OE2-CE1 2.75Å; E245-H295 PolarHBondContact OE2-CE1 3.26Å; E245-H295 IonicContact OE2-NE2 3.73Å; E245-H295 PolarHBondContact OE2-NE2 3.41Å; E245-H295 VanDerWaalsContact OE2-NE2 3.1Å; F247-H295 HydrophobicContact CD1-CB 3.89Å; F247-H295 HydrophobicContact CE1-CB 3.61Å; F247-H295 AromaticContact CE1-CG 3.88Å; F247-H295 HydrophobicContact CZ-CB 4.21Å; F247-H295 AromaticContact CZ-CG 3.96Å; F247-H295 AromaticContact CZ-ND1 3.88Å; G275-H295 CarbonylContact C-O 3.58Å; G275-H295 WeakPolarHBondContact CA-O 3.19Å; S276-H295 PolarHBondContact N-O 3.07Å; S276-H295 PolarHBondContact O-N 3.13Å; S276-H295 VanDerWaalsContact O-O 3.14Å; E282-H295 WeakPolarHBondContact OE1-CB 3.16Å; E282-H295 IonicContact OE1-CE1 3.92Å; E282-H295 IonicContact OE1-CG 2.61Å; E282-H295 IonicContact OE1-ND1 3.01Å; E282-H295 PolarHBondContact OE1-ND1 2.93Å
296F96Very high89.9Confident1 Ų150.8 Ų50.80%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-94.4130.2176.5-65.9-86.7000112.5F194 L246 C248 L251 W253 T254 L265 V274 R298 L301F194-F296 HydrophobicContact CD1-CD1 4.39Å; F194-F296 HydrophobicContact CD1-CD2 4.1Å; F194-F296 HydrophobicContact CD1-CE1 4.23Å; F194-F296 AromaticContact CD1-CE2 3.95Å; F194-F296 HydrophobicContact CD1-CE2 3.95Å; F194-F296 HydrophobicContact CD1-CG 4.32Å; F194-F296 HydrophobicContact CD1-CZ 4.01Å; F194-F296 HydrophobicContact CE1-CB 3.97Å; F194-F296 AromaticContact CE1-CD1 3.68Å; F194-F296 HydrophobicContact CE1-CD1 3.68Å; F194-F296 AromaticContact CE1-CD2 3.45Å; F194-F296 HydrophobicContact CE1-CD2 3.45Å; F194-F296 VanDerWaalsContact CE1-CD2 3.45Å; F194-F296 AromaticContact CE1-CE1 3.97Å; F194-F296 HydrophobicContact CE1-CE1 3.97Å; F194-F296 AromaticContact CE1-CE2 3.77Å; F194-F296 HydrophobicContact CE1-CE2 3.77Å; F194-F296 AromaticContact CE1-CG 3.4Å; F194-F296 HydrophobicContact CE1-CG 3.4Å; F194-F296 HydrophobicContact CE1-CZ 4.02Å; F194-F296 HydrophobicContact CZ-CB 4.07Å; F194-F296 AromaticContact CZ-CD2 3.87Å; F194-F296 HydrophobicContact CZ-CD2 3.87Å; F194-F296 HydrophobicContact CZ-CE2 4.49Å; F194-F296 AromaticContact CZ-CG 3.92Å; F194-F296 HydrophobicContact CZ-CG 3.92Å; L246-F296 HydrophobicContact CB-CB 4.1Å; L246-F296 PolarHBondContact O-N 2.78Å; C248-F296 HydrophobicContact CB-CE2 4.06Å; L251-F296 HydrophobicContact CD1-CE2 4.47Å; L251-F296 HydrophobicContact CD1-CZ 4.23Å; W253-F296 AromaticContact CH2-CE1 3.69Å; W253-F296 HydrophobicContact CH2-CE1 3.69Å; W253-F296 HydrophobicContact CH2-CZ 4.08Å; W253-F296 AromaticContact CZ2-CE1 3.59Å; W253-F296 HydrophobicContact CZ2-CE1 3.59Å; W253-F296 AromaticContact CZ2-CZ 3.67Å; W253-F296 HydrophobicContact CZ2-CZ 3.67Å; T254-F296 HydrophobicContact CG2-CZ 4.39Å; L265-F296 HydrophobicContact CD1-CD1 4.44Å; L265-F296 HydrophobicContact CD1-CE1 3.92Å; L265-F296 HydrophobicContact CD1-CE2 4.42Å; L265-F296 HydrophobicContact CD1-CZ 3.91Å; V274-F296 HydrophobicContact CB-CD1 4.46Å; V274-F296 HydrophobicContact CG2-CD1 4.22Å; V274-F296 HydrophobicContact CG2-CE1 4.18Å; F296-R298 PolarHBondContact O-N 2.83Å; F296-L301 HydrophobicContact CB-CD1 3.63Å; F296-L301 HydrophobicContact CD1-CD1 4.43Å; F296-L301 HydrophobicContact CG-CD1 4.3Å
297N94.4Very high89.6Confident64 Ų6460.1 Ų60.134%0.34229%0.294SS..  trans-78.9117.4178.9-171.3-46000110.1V274 N299 H300V274-N297 PolarHBondContact O-N 2.85Å; N297-N299 PolarHBondContact O-N 2.62Å; N297-N299 VanDerWaalsContact O-N 3.15Å; N297-N299 VanDerWaalsContact OD1-CB 3.28Å; N297-N299 WeakPolarHBondContact OD1-CB 3.46Å; N297-N299 PolarHBondContact OD1-N 2.82Å; N297-H300 HydrophobicContact CB-CB 4.49Å; N297-H300 WeakPolarHBondContact O-CB 3.5Å; N297-H300 PolarHBondContact O-N 2.87Å
298R92.4Very high88.2Confident165 Ų16563.7 Ų63.762%0.62331%0.31SS*.G310 helixtrans-53.9-34.4178.5-179176.1165.6148.6-3.9113.6L246 F296 H300 L301L246-R298 HydrophobicContact CD1-CB 4.23Å; F296-R298 PolarHBondContact O-N 2.83Å; R298-H300 PolarHBondContact O-N 2.79Å; R298-L301 PolarHBondContact O-N 2.9Å; R298-L301 VanDerWaalsContact O-N 3.16Å; R298-L301 VanDerWaalsContact O-O 3.04Å
299N94.5Very high86.3Confident124 Ų12473 Ų7366%0.66334%0.343SS*.G310 helixtrans-67.9-17.5179.1-64.1-25.5000112.8R187 N297R187-N299 WeakPolarHBondContact CD-O 3.39Å; N297-N299 PolarHBondContact O-N 2.62Å; N297-N299 VanDerWaalsContact O-N 3.15Å; N297-N299 VanDerWaalsContact OD1-CB 3.28Å; N297-N299 WeakPolarHBondContact OD1-CB 3.46Å; N297-N299 PolarHBondContact OD1-N 2.82Å
300H95.7Very high84Confident68 Ų6873.6 Ų73.632%0.31536%0.356SS..G310 helixtrans-98.50.7178.6-57.1170000112.7R187 K273 N297 R298R187-H300 VanDerWaalsContact CB-O 3.22Å; R187-H300 WeakPolarHBondContact CB-O 3.36Å; R187-H300 PolarHBondContact N-O 3.25Å; K273-H300 PolarHBondContact O-ND1 2.76Å; N297-H300 HydrophobicContact CB-CB 4.49Å; N297-H300 WeakPolarHBondContact O-CB 3.5Å; N297-H300 PolarHBondContact O-N 2.87Å; R298-H300 PolarHBondContact O-N 2.79Å
301L96.1Very high81.8Confident11 Ų1179.8 Ų79.86%0.05839%0.393CS..EExtended strand (participates in β ladder)trans-125.3151.1-174.3-59.5-174000112.5F184 R185 L193 F194 L246 V274 F296 R298F184-L301 HydrophobicContact CB-CD1 4.36Å; F184-L301 HydrophobicContact CD1-CD1 4.3Å; R185-L301 CarbonylContact O-C 3.49Å; R185-L301 VanDerWaalsContact O-CA 3.27Å; R185-L301 WeakPolarHBondContact O-CA 3.45Å; L193-L301 HydrophobicContact CD1-CD2 3.38Å; F194-L301 HydrophobicContact CE1-CD1 3.83Å; F194-L301 HydrophobicContact CZ-CD1 3.79Å; L246-L301 HydrophobicContact CD1-CD1 3.98Å; V274-L301 HydrophobicContact CB-CD2 4.25Å; V274-L301 HydrophobicContact CG1-CD2 4.27Å; F296-L301 HydrophobicContact CB-CD1 3.63Å; F296-L301 HydrophobicContact CD1-CD1 4.43Å; F296-L301 HydrophobicContact CG-CD1 4.3Å; R298-L301 PolarHBondContact O-N 2.9Å; R298-L301 VanDerWaalsContact O-N 3.16Å; R298-L301 VanDerWaalsContact O-O 3.04Å
302D95.2Very high79.6Confident24 Ų2484.9 Ų84.913%0.12842%0.418CS..EExtended strand (participates in β ladder)trans-113128.3166.8-62.4-44.6000109.7R185 R187 R190R185-D302 PolarHBondContact N-O 2.85Å; R185-D302 PolarHBondContact O-N 3.43Å; R187-D302 WeakPolarHBondContact CA-OD2 3.43Å; R187-D302 IonicContact CZ-OD1 3.84Å; R187-D302 IonicContact NH1-OD1 2.69Å; R187-D302 PolarHBondContact NH1-OD1 3.01Å; R190-D302 IonicContact CZ-OD2 3.66Å; R190-D302 IonicContact NH1-OD2 2.62Å; R190-D302 PolarHBondContact NH1-OD2 3.04Å
303R93.5Very high77.2Confident84 Ų8488.8 Ų88.832%0.31744%0.441SS..EExtended strand (participates in β ladder)trans-87.9120.7172.8-174.6-176.3-172.2-972.4109.2L177 N178 T180 S182 F184L177-R303 PolarHBondContact O-NH2 2.79Å; N178-R303 PolarHBondContact O-NH2 3.17Å; T180-R303 PolarHBondContact O-NH2 3.38Å; T180-R303 VanDerWaalsContact O-NH2 3.08Å; T180-R303 PolarHBondContact OG1-NH1 3.36Å; T180-R303 VanDerWaalsContact OG1-NH1 3.09Å; T180-R303 PolarHBondContact OG1-NH2 2.79Å; S182-R303 PolarHBondContact OG-NE 3.09Å; S182-R303 PolarHBondContact OG-NH1 3.43Å; S182-R303 PolarHBondContact OG-NH2 3.27Å; F184-R303 HydrophobicContact CD1-CB 4.38Å; F184-R303 HydrophobicContact CE1-CB 4.14Å; F184-R303 HydrophobicContact CE1-CG 4.1Å; F184-R303 HydrophobicContact CZ-CG 4.14Å
304V92.6Very high75.3Confident40 Ų4095.3 Ų95.324%0.24247%0.474CS..EExtended strand (participates in β ladder)trans-119.8115.2179.3-178.80000109.6S182 S183 I306S182-V304 CarbonylContact C-O 3.57Å; S182-V304 WeakPolarHBondContact CA-O 3.43Å; S183-V304 PolarHBondContact N-O 2.81Å; S183-V304 PolarHBondContact O-N 3.27Å; S183-V304 PolarHBondContact OG-O 3.44Å; V304-I306 PolarHBondContact O-N 3.28Å
305P91.5Very high72.4Confident70 Ų70100.6 Ų100.646%0.45551%0.509SS..EExtended strand (participates in β ladder)trans-55.9131.5174.7-25.434.8000111.8R307P305-R307 PolarHBondContact O-N 3.43Å
306I84.4Confident69.5Low82 Ų82104.2 Ų104.242%0.42154%0.538SS..  trans-78.7112.5174.3-59.2168.3000106.5P181 V304P181-I306 HydrophobicContact CB-CB 4.45Å; P181-I306 HydrophobicContact CB-CD1 4.38Å; P181-I306 PolarHBondContact O-N 3.07Å; V304-I306 PolarHBondContact O-N 3.28Å
307R78.7Confident66.7Low220 Ų220113.4 Ų113.483%0.8358%0.578SS**  trans-80134.4171.9-65.8-178.5177.9179.8-1.4108.1P305 R309P305-R307 PolarHBondContact O-N 3.43Å; R307-R309 PolarHBondContact O-N 3.4Å
308S53.3Low63.7Low128 Ų128115.9 Ų115.990%0.89560%0.598SS**SBendtrans-66.123.8-175.7-330000115.7
309R43.8Very low61.1Low221 Ų221114.5 Ų114.583%0.83461%0.607SS**SBendtrans-111.6113171.7-74.2-176.8175.7164.2-0.9108.2R307R307-R309 PolarHBondContact O-N 3.4Å
310N36.6Very low58.3Low142 Ų142117.4 Ų117.476%0.75962%0.616SS**  trans80.281.5177.3-50.2-18.4000114.3I312N310-I312 VanDerWaalsContact C-N 3.26Å; N310-I312 PolarHBondContact O-N 3.18Å
311V36.9Very low55.3Low133 Ų133121.3 Ų121.381%0.80664%0.64SS**  trans-6493.2156.5179.60000106.7T313V311-T313 VanDerWaalsContact C-N 3.32Å; V311-T313 PolarHBondContact O-N 2.92Å
312I36.2Very low52.5Low145 Ų145126.1 Ų126.174%0.74468%0.675SS**  trans-81.293.9160.3-59.3174.4000104.5N310 I314N310-I312 VanDerWaalsContact C-N 3.26Å; N310-I312 PolarHBondContact O-N 3.18Å; I312-I314 PolarHBondContact O-N 3.03Å; I312-I314 VanDerWaalsContact O-N 3.15Å
313T33.9Very low49.6Very low109 Ų109129.4 Ų129.467%0.66970%0.699SS**PPolyproline II helixtrans-55.5117166-390000106.7V311 P315V311-T313 VanDerWaalsContact C-N 3.32Å; V311-T313 PolarHBondContact O-N 2.92Å; T313-P315 WeakPolarHBondContact O-CD 3.2Å
314I47.2Very low46.9Very low136 Ų136130.9 Ų130.970%0.69772%0.72SS**PPolyproline II helixtrans-66.9116.1171.4-59.6172.6000105.5I312 S316I312-I314 PolarHBondContact O-N 3.03Å; I312-I314 VanDerWaalsContact O-N 3.15Å; I314-S316 PolarHBondContact O-N 2.87Å
315P32.6Very low44Very low113 Ų113136.8 Ų136.873%0.73475%0.749SS**PPolyproline II helixtrans-67.9123.9177.8-13.628.6000108.6T313 K317T313-P315 WeakPolarHBondContact O-CD 3.2Å; P315-K317 PolarHBondContact O-N 3.27Å
316S34.8Very low41.2Very low109 Ų109138.9 Ų138.976%0.76276%0.76SS**PPolyproline II helixtrans-53.6131.9153.744.70000107.7I314I314-S316 PolarHBondContact O-N 2.87Å
317K36.2Very low38.9Very low194 Ų194141 Ų14184%0.84378%0.777SS**PPolyproline II helixtrans-51.2140.5174.7-101.7-178.8174.2-177.10109.6P315 V319P315-K317 PolarHBondContact O-N 3.27Å; K317-V319 PolarHBondContact O-N 2.95Å
318P32.6Very low36.5Very low116 Ų116137.8 Ų137.875%0.75378%0.776SS**PPolyproline II helixtrans-61.1134.1177.7-15.228.1000109.8E320P318-E320 PolarHBondContact O-N 3.06Å
319V37.4Very low35.5Very low136 Ų136135.5 Ų135.582%0.82477%0.765SS**  trans-59.8115.1163.2177.90000106K317 D321K317-V319 PolarHBondContact O-N 2.95Å; V319-D321 PolarHBondContact O-N 3.35Å
320E34.6Very low35.1Very low184 Ų184132 Ų13286%0.8676%0.763SS**  trans-62.3110.6171-78.4178.5172.200107.6P318 S322P318-E320 PolarHBondContact O-N 3.06Å; E320-S322 VanDerWaalsContact C-N 3.3Å; E320-S322 PolarHBondContact O-N 3.46Å
321D33.7Very low34.8Very low150 Ų150133 Ų13380%0.80277%0.766SS**  trans-6889.4177.3-144.41.1000107.3V319 S323V319-D321 PolarHBondContact O-N 3.35Å; D321-S323 PolarHBondContact O-N 3.47Å
322S37.4Very low34.7Very low113 Ų113133.5 Ų133.579%0.7976%0.763SS**  trans-73.777168.861.80000108E320E320-S322 VanDerWaalsContact C-N 3.3Å; E320-S322 PolarHBondContact O-N 3.46Å
323S33.8Very low34.9Very low92 Ų92135.2 Ų135.264%0.64377%0.768SS**  trans-57132.6165.754.40000109.2D321 L325D321-S323 PolarHBondContact O-N 3.47Å; S323-L325 PolarHBondContact O-N 3.38Å
324P35.8Very low34.7Very low115 Ų115139.4 Ų139.475%0.74780%0.802SS**  trans-68.9121.4-176.225.2-31.2000110.6V326P324-V326 PolarHBondContact O-N 3.26Å
325L32.5Very low34.1Very low164 Ų164139.6 Ų139.686%0.85981%0.807SS**  trans-62.998.7163.6-85.5157.1000108.4S323 T327S323-L325 PolarHBondContact O-N 3.38Å; L325-T327 VanDerWaalsContact C-N 3.35Å; L325-T327 PolarHBondContact O-N 2.76Å
326V32.3Very low34.2Very low115 Ų115140.9 Ų140.970%0.69781%0.811SS**  trans-67.295.8162177.50000107.2P324 N328P324-V326 PolarHBondContact O-N 3.26Å; V326-N328 PolarHBondContact O-N 3.15Å
327T36Very low34.1Very low126 Ų126142.7 Ų142.777%0.77381%0.814SS**  trans-90.989.6160.552.60000108.1L325 A329L325-T327 VanDerWaalsContact C-N 3.35Å; L325-T327 PolarHBondContact O-N 2.76Å; T327-A329 PolarHBondContact O-N 2.94Å
328N28.2Very low34Very low152 Ų152139.7 Ų139.781%0.81381%0.812SS**  trans-73.1107.4152-87.6-24.4000107.3V326V326-N328 PolarHBondContact O-N 3.15Å
329A33.4Very low34.1Very low80 Ų80141.2 Ų141.266%0.66182%0.816SS**  trans-163.6132.915200000110.3T327T327-A329 PolarHBondContact O-N 2.94Å
330D35.5Very low33.9Very low147 Ų147141.5 Ų141.579%0.78682%0.815SS**  trans10093.4159.7-53.6-21.3000115.4
331M30.5Very low33.8Very low165 Ų165138.5 Ų138.581%0.81381%0.812SS**  44.3106.877.3-77.8-174.7158.600112.1
332N35.2Very low33.8Very low142 Ų142137.6 Ų137.676%0.75981%0.812SS**  177.6150.2104.6-97.6-39.4000114.7
333Q38.8Very low33.5Very low182 Ų182139.7 Ų139.785%0.8581%0.814SS**  trans9184.8154.3-70163.844.900118.9
334S30.5Very low33.5Very low196 Ų196144 Ų144100%1.37183%0.83SS**  -141.2099.966.20000110.5

Retrieved 334 of 334 residues in 146.7 ms (Link to these results)

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