A0A087XYI9_POEFO Loading...

Aconitate decarboxylase 1

AlphaFold DB , UniProt , Accession A0A087XYI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 474 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	43.6	Very low	82.2	Confident	243 Å²	243	85.1 Å²	85.1	100%	1.197	41%	0.406	S	S	*	.				0	117.9	0	-80.7	174.1	179.1	0	0	107.7	R3	M1-R3 PolarHBondContact O-N 3.25Å
2	L	45.7	Very low	83.4	Confident	175 Å²	175	80.1 Å²	80.1	92%	0.916	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-59.4	129	169.7	-75.2	154	0	0	0	107.7	K4	L2-K4 PolarHBondContact O-N 3.22Å
3	R	58.3	Low	84.4	Confident	249 Å²	249	74.2 Å²	74.2	94%	0.94	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-61.7	118.9	173.5	-90.5	-179.3	172.4	173.4	-2.4	107.6	M1	M1-R3 PolarHBondContact O-N 3.25Å
4	K	76.7	Confident	85.4	Confident	120 Å²	120	69.1 Å²	69.1	52%	0.522	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-58.9	142.9	172.1	-68.8	-175.7	173.6	178.8	0	109.8	L2 E8	L2-K4 PolarHBondContact O-N 3.22Å; K4-E8 WeakPolarHBondContact CA-OE2 3.21Å; K4-E8 WeakPolarHBondContact CB-OE2 3.39Å
5	G	93.4	Very high	86.3	Confident	27 Å²	27	70 Å²	70	28%	0.278	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-64.2	161.5	172.6	0	0	0	0	0	111.7	E8 S9 D235	G5-E8 PolarHBondContact O-N 3.29Å; G5-S9 WeakPolarHBondContact O-CB 3.48Å; G5-S9 PolarHBondContact O-N 2.92Å; G5-D235 WeakPolarHBondContact CA-OD1 3.37Å
6	V	97.4	Very high	86.9	Confident	14 Å²	14	69.1 Å²	69.1	9%	0.085	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-50.1	177.1	176.7	0	0	0	0	109.9	E8 S9 F10 F145 L234 D235 P249 S250 T251	V6-E8 VanDerWaalsContact C-N 3.35Å; V6-E8 PolarHBondContact O-N 3.41Å; V6-S9 PolarHBondContact O-N 2.53Å; V6-S9 VanDerWaalsContact O-N 3.14Å; V6-S9 PolarHBondContact O-OG 3.36Å; V6-F10 HydrophobicContact CG1-CD2 4.07Å; V6-F10 HydrophobicContact CG1-CE2 3.94Å; V6-F10 WeakPolarHBondContact O-CD2 3.37Å; V6-F10 PolarHBondContact O-N 3.22Å; V6-F10 VanDerWaalsContact O-N 3.11Å; V6-F145 HydrophobicContact CG1-CE2 4.09Å; V6-F145 HydrophobicContact CG1-CZ 3.81Å; V6-L234 HydrophobicContact CB-CB 4.43Å; V6-L234 HydrophobicContact CG1-CB 3.9Å; V6-L234 HydrophobicContact CG1-CD1 4.44Å; V6-D235 PolarHBondContact N-OD1 2.65Å; V6-P249 HydrophobicContact CG1-CB 4.18Å; V6-P249 HydrophobicContact CG2-CB 4.16Å; V6-S250 WeakPolarHBondContact CG1-O 3.04Å; V6-T251 HydrophobicContact CG2-CG2 4.11Å
7	T	98.4	Very high	87.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56.8	-47.4	178.1	-53.2	0	0	0	0	112.1	S9 F10 G11 S183 P231 S232 M233 L234 D235	T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 3.29Å; T7-F10 PolarHBondContact O-N 3.04Å; T7-G11 PolarHBondContact O-N 3.03Å; T7-S183 PolarHBondContact O-OG 3.01Å; T7-P231 WeakPolarHBondContact CB-O 3.42Å; T7-P231 WeakPolarHBondContact CG2-O 3.12Å; T7-S232 VanDerWaalsContact OG1-C 3.23Å; T7-S232 WeakPolarHBondContact OG1-CA 3.45Å; T7-M233 PolarHBondContact OG1-N 3.44Å; T7-M233 VanDerWaalsContact OG1-N 3.14Å; T7-L234 HydrophobicContact CG2-CG 4.45Å; T7-L234 WeakPolarHBondContact OG1-CB 3.41Å; T7-L234 PolarHBondContact OG1-N 3.45Å; T7-D235 WeakPolarHBondContact CB-OD2 3.46Å; T7-D235 PolarHBondContact N-OD2 3.48Å; T7-D235 PolarHBondContact OG1-OD2 3.1Å
8	E	97.1	Very high	87.9	Confident	95 Å²	95	62.6 Å²	62.6	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-40.1	177.7	-170	-167.5	171	0	0	111.9	K4 G5 V6 F10 G11 A12	K4-E8 WeakPolarHBondContact CA-OE2 3.21Å; K4-E8 WeakPolarHBondContact CB-OE2 3.39Å; G5-E8 PolarHBondContact O-N 3.29Å; V6-E8 VanDerWaalsContact C-N 3.35Å; V6-E8 PolarHBondContact O-N 3.41Å; E8-F10 VanDerWaalsContact C-N 3.31Å; E8-F10 PolarHBondContact O-N 3.47Å; E8-G11 PolarHBondContact O-N 2.92Å; E8-A12 WeakPolarHBondContact O-CB 3.37Å; E8-A12 PolarHBondContact O-N 3.12Å
9	S	97.1	Very high	88.2	Confident	12 Å²	12	61.3 Å²	61.3	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-36.4	177.5	77.2	0	0	0	0	112.5	G5 V6 T7 A13 T251 M252	G5-S9 WeakPolarHBondContact O-CB 3.48Å; G5-S9 PolarHBondContact O-N 2.92Å; V6-S9 PolarHBondContact O-N 2.53Å; V6-S9 VanDerWaalsContact O-N 3.14Å; V6-S9 PolarHBondContact O-OG 3.36Å; T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 3.29Å; S9-A13 WeakPolarHBondContact O-CB 3.22Å; S9-A13 PolarHBondContact O-N 3.3Å; S9-T251 WeakPolarHBondContact OG-CA 3.39Å; S9-M252 PolarHBondContact OG-N 2.94Å
10	F	98.3	Very high	88.4	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-47.3	174.4	-86.2	-112.4	0	0	0	111.5	V6 T7 E8 A12 A13 I14 V138 R141 L142 F145 L186 L234 M252	V6-F10 HydrophobicContact CG1-CD2 4.07Å; V6-F10 HydrophobicContact CG1-CE2 3.94Å; V6-F10 WeakPolarHBondContact O-CD2 3.37Å; V6-F10 PolarHBondContact O-N 3.22Å; V6-F10 VanDerWaalsContact O-N 3.11Å; T7-F10 PolarHBondContact O-N 3.04Å; E8-F10 VanDerWaalsContact C-N 3.31Å; E8-F10 PolarHBondContact O-N 3.47Å; F10-A12 VanDerWaalsContact C-N 3.3Å; F10-A12 PolarHBondContact O-N 3.22Å; F10-A13 PolarHBondContact O-N 3.32Å; F10-I14 WeakPolarHBondContact O-CD1 3.45Å; F10-I14 VanDerWaalsContact O-CG1 3.26Å; F10-I14 WeakPolarHBondContact O-CG1 3.41Å; F10-I14 PolarHBondContact O-N 3.07Å; F10-V138 HydrophobicContact CD1-CG1 4.22Å; F10-V138 HydrophobicContact CD1-CG2 4.2Å; F10-V138 HydrophobicContact CE1-CG1 4.28Å; F10-R141 HydrophobicContact CE1-CB 3.94Å; F10-R141 HydrophobicContact CZ-CB 3.68Å; F10-L142 HydrophobicContact CD1-CD2 4.46Å; F10-L142 HydrophobicContact CE1-CD2 3.73Å; F10-L142 HydrophobicContact CE1-CG 3.97Å; F10-L142 HydrophobicContact CZ-CD2 3.89Å; F10-L142 HydrophobicContact CZ-CG 4.44Å; F10-F145 HydrophobicContact CE2-CE1 4.44Å; F10-F145 HydrophobicContact CE2-CE2 4.45Å; F10-F145 AromaticContact CE2-CZ 3.61Å; F10-F145 HydrophobicContact CE2-CZ 3.61Å; F10-F145 HydrophobicContact CZ-CE1 4.24Å; F10-F145 HydrophobicContact CZ-CE2 4.3Å; F10-F145 AromaticContact CZ-CZ 3.56Å; F10-F145 HydrophobicContact CZ-CZ 3.56Å; F10-L186 HydrophobicContact CB-CD1 3.7Å; F10-L186 HydrophobicContact CD1-CD1 4.45Å; F10-L186 HydrophobicContact CG-CD1 4.48Å; F10-L234 HydrophobicContact CB-CD1 3.91Å; F10-L234 HydrophobicContact CD1-CD1 3.91Å; F10-L234 HydrophobicContact CD2-CD1 3.77Å; F10-L234 HydrophobicContact CE1-CD1 4.37Å; F10-L234 HydrophobicContact CE2-CD1 4.26Å; F10-L234 HydrophobicContact CG-CD1 3.58Å; F10-M252 HydrophobicContact CB-CG 4.38Å; F10-M252 HydrophobicContact CD1-CG 4.2Å; F10-M252 HydrophobicContact CD1-SD 4.2Å; F10-M252 HydrophobicContact CD2-CG 3.5Å; F10-M252 VanDerWaalsContact CD2-CG 3.5Å; F10-M252 HydrophobicContact CD2-SD 4.23Å; F10-M252 HydrophobicContact CE1-CG 4.39Å; F10-M252 HydrophobicContact CE1-SD 3.92Å; F10-M252 HydrophobicContact CE2-CG 3.69Å; F10-M252 HydrophobicContact CE2-SD 3.94Å; F10-M252 HydrophobicContact CG-CG 3.77Å; F10-M252 HydrophobicContact CG-SD 4.36Å; F10-M252 HydrophobicContact CZ-CG 4.16Å; F10-M252 HydrophobicContact CZ-SD 3.8Å
11	G	98.1	Very high	88.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-42.4	177	0	0	0	0	0	112.6	T7 E8 H15 C182	T7-G11 PolarHBondContact O-N 3.03Å; E8-G11 PolarHBondContact O-N 2.92Å; G11-H15 PolarHBondContact O-N 3.38Å; G11-C182 WeakPolarHBondContact O-CB 3.42Å
12	A	96.7	Very high	91.3	Very high	25 Å²	25	52.5 Å²	52.5	21%	0.207	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-45.4	175.3	0	0	0	0	0	112.7	E8 F10 H15 A16	E8-A12 WeakPolarHBondContact O-CB 3.37Å; E8-A12 PolarHBondContact O-N 3.12Å; F10-A12 VanDerWaalsContact C-N 3.3Å; F10-A12 PolarHBondContact O-N 3.22Å; A12-H15 PolarHBondContact O-N 3.25Å; A12-A16 VanDerWaalsContact O-CB 3.23Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.11Å
13	A	97.1	Very high	93.7	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-44.7	179.9	0	0	0	0	0	112.4	S9 F10 H15 A16 L17 M252	S9-A13 WeakPolarHBondContact O-CB 3.22Å; S9-A13 PolarHBondContact O-N 3.3Å; F10-A13 PolarHBondContact O-N 3.32Å; A13-H15 VanDerWaalsContact C-N 3.26Å; A13-H15 PolarHBondContact O-N 2.83Å; A13-A16 PolarHBondContact O-N 3.12Å; A13-L17 WeakPolarHBondContact O-CB 3.35Å; A13-L17 VanDerWaalsContact O-CG 3.26Å; A13-L17 WeakPolarHBondContact O-CG 3.37Å; A13-L17 PolarHBondContact O-N 3.22Å; A13-M252 HydrophobicContact CB-CB 3.9Å; A13-M252 HydrophobicContact CB-CE 3.75Å; A13-M252 HydrophobicContact CB-CG 3.87Å
14	I	98.3	Very high	95.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-56.3	-43.7	176.7	-68.3	163.6	0	0	0	110.4	F10 V134 V138 A169 A172 K173 C182 L186	F10-I14 WeakPolarHBondContact O-CD1 3.45Å; F10-I14 VanDerWaalsContact O-CG1 3.26Å; F10-I14 WeakPolarHBondContact O-CG1 3.41Å; F10-I14 PolarHBondContact O-N 3.07Å; I14-V134 HydrophobicContact CB-CG1 4.28Å; I14-V134 HydrophobicContact CG1-CG1 3.98Å; I14-V134 HydrophobicContact CG2-CG1 4.06Å; I14-V138 HydrophobicContact CD1-CG2 4.06Å; I14-V138 HydrophobicContact CG1-CG2 3.97Å; I14-A169 HydrophobicContact CD1-CB 3.64Å; I14-A169 HydrophobicContact CG1-CB 4.03Å; I14-A172 HydrophobicContact CG2-CB 4.28Å; I14-K173 HydrophobicContact CG2-CB 4.33Å; I14-K173 WeakPolarHBondContact O-CD 2.89Å; I14-C182 HydrophobicContact CB-CB 4.16Å; I14-C182 HydrophobicContact CD1-CB 4.5Å; I14-C182 HydrophobicContact CG2-CB 4.11Å; I14-L186 HydrophobicContact CD1-CD1 3.78Å; I14-L186 HydrophobicContact CD1-CD2 4.19Å; I14-L186 HydrophobicContact CD1-CG 4.16Å
15	H	97.7	Very high	96.6	Very high	83 Å²	83	36.9 Å²	36.9	38%	0.384	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-51.4	177.4	176.7	78.2	0	0	0	111.9	G11 A12 A13 K173 L177 P179	G11-H15 PolarHBondContact O-N 3.38Å; A12-H15 PolarHBondContact O-N 3.25Å; A13-H15 VanDerWaalsContact C-N 3.26Å; A13-H15 PolarHBondContact O-N 2.83Å; H15-K173 PolarHBondContact O-NZ 2.95Å; H15-L177 PolarHBondContact ND1-O 3.47Å; H15-P179 HydrophobicContact CB-CB 4.43Å; H15-P179 HydrophobicContact CB-CG 3.91Å
16	A	96.3	Very high	96.8	Very high	55 Å²	55	35.6 Å²	35.6	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-78.1	-27.2	-166.3	0	0	0	0	0	115.3	A12 A13 G18	A12-A16 VanDerWaalsContact O-CB 3.23Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.11Å; A13-A16 PolarHBondContact O-N 3.12Å; A16-G18 PolarHBondContact O-N 3.02Å
17	L	96.7	Very high	96.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	23%	0.225	C	C	.	.			trans	-60.1	121.7	-179.5	-77.9	167.1	0	0	0	110.9	A13 Q21 V134 K173 C255 F260 W262	A13-L17 WeakPolarHBondContact O-CB 3.35Å; A13-L17 VanDerWaalsContact O-CG 3.26Å; A13-L17 WeakPolarHBondContact O-CG 3.37Å; A13-L17 PolarHBondContact O-N 3.22Å; L17-Q21 HydrophobicContact CD2-CB 4.17Å; L17-Q21 HydrophobicContact CD2-CG 4.18Å; L17-V134 HydrophobicContact CB-CG2 4.12Å; L17-V134 HydrophobicContact CD1-CG2 3.96Å; L17-K173 WeakPolarHBondContact O-CE 3.37Å; L17-K173 PolarHBondContact O-NZ 3.44Å; L17-C255 HydrophobicContact CD2-CB 4.41Å; L17-F260 HydrophobicContact CD1-CE1 4.24Å; L17-F260 HydrophobicContact CD1-CE2 4.31Å; L17-F260 HydrophobicContact CD1-CZ 3.82Å; L17-F260 HydrophobicContact CD2-CD1 3.71Å; L17-F260 HydrophobicContact CD2-CD2 4.12Å; L17-F260 HydrophobicContact CD2-CE1 3.63Å; L17-F260 HydrophobicContact CD2-CE2 4.05Å; L17-F260 HydrophobicContact CD2-CG 3.96Å; L17-F260 HydrophobicContact CD2-CZ 3.81Å; L17-F260 HydrophobicContact CG-CZ 4.41Å; L17-W262 HydrophobicContact CD1-CH2 3.87Å; L17-W262 HydrophobicContact CD1-CZ3 4.29Å; L17-W262 HydrophobicContact CD2-CH2 4.29Å; L17-W262 HydrophobicContact CD2-CZ2 4.12Å; L17-W262 HydrophobicContact CG-CH2 4.48Å
18	G	94.9	Very high	96.9	Very high	19 Å²	19	39.8 Å²	39.8	20%	0.196	25%	0.247	C	C	.	.			trans	-112.1	176.8	180	0	0	0	0	0	112.5	A16 S20 Q21 L130	A16-G18 PolarHBondContact O-N 3.02Å; G18-S20 PolarHBondContact O-N 3.13Å; G18-Q21 VanDerWaalsContact C-OE1 3.23Å; G18-Q21 PolarHBondContact O-N 2.73Å; G18-Q21 PolarHBondContact O-OE1 2.89Å; G18-L130 WeakPolarHBondContact O-CD1 3.43Å
19	A	93.7	Very high	97	Very high	39 Å²	39	38.4 Å²	38.4	32%	0.322	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-63.8	-27.2	178	0	0	0	0	0	112.6	Q21 L22 L126	A19-Q21 PolarHBondContact O-N 3.36Å; A19-L22 WeakPolarHBondContact O-CB 3.44Å; A19-L22 PolarHBondContact O-N 2.9Å; A19-L126 HydrophobicContact CB-CD1 4.38Å; A19-L126 HydrophobicContact CB-CD2 3.76Å; A19-L126 HydrophobicContact CB-CG 3.9Å
20	S	93.4	Very high	97	Very high	109 Å²	109	37.8 Å²	37.8	76%	0.762	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67.2	-16.4	177.3	55.1	0	0	0	0	113.9	G18	G18-S20 PolarHBondContact O-N 3.13Å
21	Q	95.1	Very high	97.1	Very high	53 Å²	53	39.1 Å²	39.1	25%	0.248	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-86.8	-11.6	172.6	-71.2	83.9	2.3	0	0	112.7	L17 G18 A19 T23 W262	L17-Q21 HydrophobicContact CD2-CB 4.17Å; L17-Q21 HydrophobicContact CD2-CG 4.18Å; G18-Q21 VanDerWaalsContact C-OE1 3.23Å; G18-Q21 PolarHBondContact O-N 2.73Å; G18-Q21 PolarHBondContact O-OE1 2.89Å; A19-Q21 PolarHBondContact O-N 3.36Å; Q21-T23 PolarHBondContact O-N 3.16Å; Q21-W262 HydrophobicContact CB-CZ2 4.39Å; Q21-W262 PolarHBondContact O-NE1 2.96Å
22	L	96.3	Very high	97.1	Very high	18 Å²	18	40.5 Å²	40.5	9%	0.094	24%	0.244	C	C	.	.			trans	-71.5	127	174.7	-66.5	174.8	0	0	0	109.6	A19 V26 I27 L126 L129 L130 N133 W262	A19-L22 WeakPolarHBondContact O-CB 3.44Å; A19-L22 PolarHBondContact O-N 2.9Å; L22-V26 HydrophobicContact CD2-CG1 4.14Å; L22-I27 HydrophobicContact CB-CD1 4.04Å; L22-I27 HydrophobicContact CB-CG1 4.05Å; L22-L126 HydrophobicContact CD1-CD1 3.84Å; L22-L129 HydrophobicContact CD1-CB 4.28Å; L22-L130 HydrophobicContact CD1-CB 4.13Å; L22-L130 HydrophobicContact CD2-CD1 4.33Å; L22-L130 HydrophobicContact CG-CD1 4.26Å; L22-N133 HydrophobicContact CD2-CB 4.04Å; L22-W262 HydrophobicContact CD2-CZ2 4.01Å
23	T	96.8	Very high	97.2	Very high	52 Å²	52	39.3 Å²	39.3	32%	0.319	24%	0.235	S	C	.	.			trans	-98.7	157.5	173.6	65.5	0	0	0	0	110.5	Q21 G25 V26 I27 E265	Q21-T23 PolarHBondContact O-N 3.16Å; T23-G25 PolarHBondContact O-N 3.43Å; T23-V26 PolarHBondContact O-N 3.47Å; T23-V26 VanDerWaalsContact O-N 3.08Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.22Å; T23-V26 PolarHBondContact OG1-N 3Å; T23-I27 WeakPolarHBondContact O-CG1 3.39Å; T23-I27 PolarHBondContact O-N 3.49Å; T23-E265 VanDerWaalsContact CB-OE1 3.29Å; T23-E265 WeakPolarHBondContact CB-OE1 2.94Å; T23-E265 WeakPolarHBondContact CG2-OE1 3.46Å; T23-E265 PolarHBondContact OG1-OE1 3.33Å
24	D	97.3	Very high	97.3	Very high	126 Å²	126	39.1 Å²	39.1	67%	0.674	23%	0.233	S	C	*	.	H	α-helix	trans	-56.7	-36.5	178	-64.7	-22	0	0	0	112	I27 N28	D24-I27 PolarHBondContact O-N 3.02Å; D24-N28 VanDerWaalsContact O-CB 3.28Å; D24-N28 WeakPolarHBondContact O-CB 3.34Å; D24-N28 PolarHBondContact O-N 3.29Å; D24-N28 PolarHBondContact O-ND2 3.34Å
25	G	97.9	Very high	97.3	Very high	38 Å²	38	39.3 Å²	39.3	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-45.5	176.6	0	0	0	0	0	112.4	T23 R29	T23-G25 PolarHBondContact O-N 3.43Å; G25-R29 WeakPolarHBondContact O-CG 3.49Å; G25-R29 PolarHBondContact O-N 3.42Å; G25-R29 VanDerWaalsContact O-N 3.08Å
26	V	98.3	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-51.1	175.7	172.6	0	0	0	0	110.1	L22 T23 N28 R29 S30 N133 W262 L264 E265	L22-V26 HydrophobicContact CD2-CG1 4.14Å; T23-V26 PolarHBondContact O-N 3.47Å; T23-V26 VanDerWaalsContact O-N 3.08Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.22Å; T23-V26 PolarHBondContact OG1-N 3Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-N28 PolarHBondContact O-N 2.9Å; V26-R29 PolarHBondContact O-N 3.01Å; V26-S30 WeakPolarHBondContact O-CB 3.47Å; V26-S30 PolarHBondContact O-N 2.93Å; V26-S30 PolarHBondContact O-OG 3.44Å; V26-N133 HydrophobicContact CG1-CB 4.24Å; V26-N133 WeakPolarHBondContact CG1-OD1 3.32Å; V26-W262 HydrophobicContact CG1-CG 4.44Å; V26-W262 HydrophobicContact CG2-CB 3.61Å; V26-W262 HydrophobicContact CG2-CG 3.67Å; V26-L264 HydrophobicContact CG1-CD2 4.39Å; V26-E265 HydrophobicContact CG2-CG 3.53Å
27	I	98.7	Very high	97.5	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-53.8	-48.8	179.1	-69.4	169.6	0	0	0	110.7	L22 T23 D24 R29 S30 K31 L129	L22-I27 HydrophobicContact CB-CD1 4.04Å; L22-I27 HydrophobicContact CB-CG1 4.05Å; T23-I27 WeakPolarHBondContact O-CG1 3.39Å; T23-I27 PolarHBondContact O-N 3.49Å; D24-I27 PolarHBondContact O-N 3.02Å; I27-R29 PolarHBondContact O-N 3Å; I27-S30 PolarHBondContact O-N 2.67Å; I27-K31 HydrophobicContact CG2-CD 4.42Å; I27-K31 WeakPolarHBondContact O-CG 3.35Å; I27-K31 PolarHBondContact O-N 3.45Å; I27-L129 HydrophobicContact CG1-CD1 4.47Å; I27-L129 HydrophobicContact CG2-CD1 4.13Å
28	N	98.6	Very high	97.6	Very high	85 Å²	85	32.8 Å²	32.8	46%	0.455	19%	0.194	S	C	.	.	H	α-helix	trans	-64.1	-42.5	-179.2	-73.4	-31	0	0	0	112.6	D24 V26 R32	D24-N28 VanDerWaalsContact O-CB 3.28Å; D24-N28 WeakPolarHBondContact O-CB 3.34Å; D24-N28 PolarHBondContact O-N 3.29Å; D24-N28 PolarHBondContact O-ND2 3.34Å; V26-N28 VanDerWaalsContact C-N 3.31Å; V26-N28 PolarHBondContact O-N 2.9Å; N28-R32 WeakPolarHBondContact O-CD 3.4Å; N28-R32 VanDerWaalsContact O-CG 3.29Å; N28-R32 WeakPolarHBondContact O-CG 3.26Å; N28-R32 PolarHBondContact O-N 3.4Å
29	R	98.8	Very high	97.8	Very high	65 Å²	65	31.9 Å²	31.9	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-41.7	176.1	-74.4	178.9	171.9	154.1	7.5	111.8	G25 V26 I27 R32 M33 L264 E265 D268	G25-R29 WeakPolarHBondContact O-CG 3.49Å; G25-R29 PolarHBondContact O-N 3.42Å; G25-R29 VanDerWaalsContact O-N 3.08Å; V26-R29 PolarHBondContact O-N 3.01Å; I27-R29 PolarHBondContact O-N 3Å; R29-R32 WeakPolarHBondContact O-CB 3.45Å; R29-R32 PolarHBondContact O-N 3.41Å; R29-M33 VanDerWaalsContact O-CG 3.28Å; R29-M33 WeakPolarHBondContact O-CG 3.13Å; R29-M33 PolarHBondContact O-N 3.2Å; R29-L264 HydrophobicContact CB-CD1 4.17Å; R29-L264 HydrophobicContact CB-CD2 3.83Å; R29-L264 HydrophobicContact CB-CG 3.86Å; R29-L264 WeakPolarHBondContact CD-O 3.32Å; R29-L264 PolarHBondContact NH1-O 3.4Å; R29-E265 PolarHBondContact NH1-O 2.99Å; R29-D268 WeakPolarHBondContact CD-OD1 3.44Å; R29-D268 IonicContact CZ-OD2 3.38Å; R29-D268 IonicContact NE-OD1 2.63Å; R29-D268 IonicContact NE-OD2 3.53Å; R29-D268 PolarHBondContact NE-OD2 2.9Å; R29-D268 IonicContact NH2-OD2 2.72Å
30	S	98.9	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-41.7	177.1	-47	0	0	0	0	112.5	V26 I27 R32 M33 M34 N133	V26-S30 WeakPolarHBondContact O-CB 3.47Å; V26-S30 PolarHBondContact O-N 2.93Å; V26-S30 PolarHBondContact O-OG 3.44Å; I27-S30 PolarHBondContact O-N 2.67Å; S30-R32 VanDerWaalsContact C-N 3.27Å; S30-R32 PolarHBondContact O-N 2.93Å; S30-M33 WeakPolarHBondContact O-CB 3.46Å; S30-M33 PolarHBondContact O-N 3.21Å; S30-M34 WeakPolarHBondContact O-CB 3.18Å; S30-M34 VanDerWaalsContact O-CG 3.26Å; S30-M34 WeakPolarHBondContact O-CG 3.18Å; S30-M34 PolarHBondContact O-N 3.39Å; S30-N133 PolarHBondContact OG-ND2 2.95Å; S30-N133 PolarHBondContact OG-OD1 3.34Å
31	K	98.9	Very high	98.3	Very high	29 Å²	29	25 Å²	25	13%	0.126	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-43.7	175.2	-76.8	-167.9	-75.1	-161.5	0	111.5	I27 M34 L35 I442 G443 I445 E446	I27-K31 HydrophobicContact CG2-CD 4.42Å; I27-K31 WeakPolarHBondContact O-CG 3.35Å; I27-K31 PolarHBondContact O-N 3.45Å; K31-M34 PolarHBondContact O-N 2.85Å; K31-L35 WeakPolarHBondContact O-CB 3.49Å; K31-L35 PolarHBondContact O-N 3.19Å; K31-I442 HydrophobicContact CB-CG2 4.29Å; K31-I442 WeakPolarHBondContact CD-O 3.39Å; K31-I442 WeakPolarHBondContact CG-O 3.47Å; K31-I442 VanDerWaalsContact O-CG2 3.29Å; K31-I442 WeakPolarHBondContact O-CG2 3.33Å; K31-G443 WeakPolarHBondContact CD-O 3.43Å; K31-G443 PolarHBondContact NZ-O 3.43Å; K31-I445 HydrophobicContact CD-CG2 4Å; K31-I445 HydrophobicContact CG-CG2 3.8Å; K31-E446 IonicContact NZ-OE1 2.89Å; K31-E446 PolarHBondContact NZ-OE1 3.43Å; K31-E446 IonicContact NZ-OE2 3.81Å; K31-E446 PolarHBondContact NZ-OE2 2.99Å
32	R	98.9	Very high	98.5	Very high	29 Å²	29	22.4 Å²	22.4	11%	0.109	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-46.3	176	-67.9	165.7	57.9	77.4	-2.1	111.8	N28 R29 S30 M34 L35 D36 F271 L413 S414 L418	N28-R32 WeakPolarHBondContact O-CD 3.4Å; N28-R32 VanDerWaalsContact O-CG 3.29Å; N28-R32 WeakPolarHBondContact O-CG 3.26Å; N28-R32 PolarHBondContact O-N 3.4Å; R29-R32 WeakPolarHBondContact O-CB 3.45Å; R29-R32 PolarHBondContact O-N 3.41Å; S30-R32 VanDerWaalsContact C-N 3.27Å; S30-R32 PolarHBondContact O-N 2.93Å; R32-M34 PolarHBondContact O-N 3.41Å; R32-L35 PolarHBondContact O-N 2.85Å; R32-D36 WeakPolarHBondContact O-CB 3.25Å; R32-D36 PolarHBondContact O-N 3.17Å; R32-F271 HydrophobicContact CB-CE2 3.97Å; R32-F271 HydrophobicContact CB-CZ 3.79Å; R32-L413 PolarHBondContact NH1-O 3.46Å; R32-L413 PolarHBondContact NH2-O 3.17Å; R32-S414 PolarHBondContact NH1-O 3.07Å; R32-L418 HydrophobicContact CB-CD2 3.49Å; R32-L418 VanDerWaalsContact CB-CD2 3.49Å; R32-L418 HydrophobicContact CG-CD2 3.69Å
33	M	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-45.3	175.9	-69.7	164.7	71.9	0	0	112.1	R29 S30 T37 P104 S105 F132 I136 L264 V269 F271	R29-M33 VanDerWaalsContact O-CG 3.28Å; R29-M33 WeakPolarHBondContact O-CG 3.13Å; R29-M33 PolarHBondContact O-N 3.2Å; S30-M33 WeakPolarHBondContact O-CB 3.46Å; S30-M33 PolarHBondContact O-N 3.21Å; M33-T37 VanDerWaalsContact O-CB 3.25Å; M33-T37 WeakPolarHBondContact O-CB 3.36Å; M33-T37 PolarHBondContact O-N 2.7Å; M33-T37 PolarHBondContact O-OG1 2.93Å; M33-P104 HydrophobicContact CE-CG 4.09Å; M33-S105 WeakPolarHBondContact CE-OG 3.45Å; M33-F132 HydrophobicContact CB-CE1 4.23Å; M33-F132 HydrophobicContact CB-CZ 4Å; M33-F132 HydrophobicContact CE-CE1 4.03Å; M33-F132 HydrophobicContact CE-CZ 4Å; M33-F132 HydrophobicContact SD-CE1 4.33Å; M33-I136 HydrophobicContact CE-CD1 3.62Å; M33-I136 HydrophobicContact CE-CG1 3.92Å; M33-I136 HydrophobicContact CE-CG2 4.13Å; M33-L264 HydrophobicContact SD-CD1 3.88Å; M33-L264 HydrophobicContact SD-CD2 3.78Å; M33-V269 HydrophobicContact CE-CG1 3.86Å; M33-V269 HydrophobicContact CG-CG1 4.12Å; M33-V269 HydrophobicContact CG-CG2 3.66Å; M33-V269 HydrophobicContact SD-CG1 3.91Å; M33-V269 HydrophobicContact SD-CG2 4.33Å; M33-F271 HydrophobicContact CG-CE1 4.48Å; M33-F271 HydrophobicContact CG-CZ 4.14Å
34	M	98.9	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-45.7	179.2	-68.5	173.2	76	0	0	111.5	S30 K31 R32 T37 L38 L109 L128 L129 F132 I442 I445	S30-M34 WeakPolarHBondContact O-CB 3.18Å; S30-M34 VanDerWaalsContact O-CG 3.26Å; S30-M34 WeakPolarHBondContact O-CG 3.18Å; S30-M34 PolarHBondContact O-N 3.39Å; K31-M34 PolarHBondContact O-N 2.85Å; R32-M34 PolarHBondContact O-N 3.41Å; M34-T37 PolarHBondContact O-N 3.12Å; M34-L38 VanDerWaalsContact O-CG 3.28Å; M34-L38 WeakPolarHBondContact O-CG 3.32Å; M34-L38 PolarHBondContact O-N 2.87Å; M34-L109 HydrophobicContact CB-CD2 4.21Å; M34-L109 HydrophobicContact CE-CD1 3.64Å; M34-L109 HydrophobicContact CG-CD1 4.23Å; M34-L109 HydrophobicContact CG-CD2 4.33Å; M34-L128 HydrophobicContact CE-CD2 3.98Å; M34-L128 HydrophobicContact CE-CG 4.21Å; M34-L129 HydrophobicContact SD-CD2 3.94Å; M34-F132 HydrophobicContact CG-CD1 4.45Å; M34-F132 HydrophobicContact CG-CD2 4.29Å; M34-F132 HydrophobicContact CG-CE1 4.26Å; M34-F132 HydrophobicContact CG-CE2 4.11Å; M34-F132 HydrophobicContact CG-CG 4.45Å; M34-F132 HydrophobicContact CG-CZ 4.08Å; M34-F132 HydrophobicContact SD-CG 4.45Å; M34-I442 HydrophobicContact CB-CD1 4.17Å; M34-I442 HydrophobicContact CB-CG2 4.42Å; M34-I442 HydrophobicContact CE-CD1 4.13Å; M34-I445 HydrophobicContact CE-CD1 3.45Å; M34-I445 VanDerWaalsContact CE-CD1 3.45Å; M34-I445 HydrophobicContact SD-CD1 4.2Å
35	L	98.9	Very high	98.7	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-48.3	178.1	-170.5	66.2	0	0	0	111.3	K31 R32 T37 L38 G39 V419 F422 V438 I439 I442	K31-L35 WeakPolarHBondContact O-CB 3.49Å; K31-L35 PolarHBondContact O-N 3.19Å; R32-L35 PolarHBondContact O-N 2.85Å; L35-T37 VanDerWaalsContact C-N 3.35Å; L35-T37 PolarHBondContact O-N 3.09Å; L35-L38 PolarHBondContact O-N 3.31Å; L35-G39 PolarHBondContact O-N 3.46Å; L35-V419 HydrophobicContact CD2-CG2 3.9Å; L35-F422 HydrophobicContact CD1-CB 4.26Å; L35-F422 HydrophobicContact CD1-CD1 3.93Å; L35-F422 HydrophobicContact CD1-CD2 3.66Å; L35-F422 HydrophobicContact CD1-CE1 4.22Å; L35-F422 HydrophobicContact CD1-CE2 3.98Å; L35-F422 HydrophobicContact CD1-CG 3.64Å; L35-F422 HydrophobicContact CD1-CZ 4.27Å; L35-F422 HydrophobicContact CD2-CB 4.27Å; L35-F422 HydrophobicContact CG-CB 3.95Å; L35-F422 HydrophobicContact CG-CD2 3.98Å; L35-F422 HydrophobicContact CG-CG 3.88Å; L35-F422 WeakPolarHBondContact O-CD2 3.32Å; L35-V438 HydrophobicContact CD1-CG1 4.24Å; L35-I439 HydrophobicContact CD1-CG1 4.37Å; L35-I442 HydrophobicContact CB-CG2 3.96Å; L35-I442 HydrophobicContact CD1-CB 4.33Å; L35-I442 HydrophobicContact CD1-CG1 4.48Å; L35-I442 HydrophobicContact CD1-CG2 4.42Å
36	D	98.9	Very high	98.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-58.5	-47.9	178	-166.2	67	0	0	0	111.8	R32 L38 G39 V40 F271 L418 K421	R32-D36 WeakPolarHBondContact O-CB 3.25Å; R32-D36 PolarHBondContact O-N 3.17Å; D36-L38 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 3.42Å; D36-G39 PolarHBondContact O-N 3.29Å; D36-V40 WeakPolarHBondContact O-CG2 3.19Å; D36-V40 PolarHBondContact O-N 2.68Å; D36-F271 HydrophobicContact CB-CD1 3.63Å; D36-F271 HydrophobicContact CB-CE1 3.49Å; D36-F271 VanDerWaalsContact CB-CE1 3.49Å; D36-F271 WeakPolarHBondContact OD2-CD1 3.44Å; D36-L418 HydrophobicContact CB-CD1 4.09Å; D36-K421 WeakPolarHBondContact OD1-CD 3.16Å; D36-K421 WeakPolarHBondContact OD1-CE 3.45Å; D36-K421 IonicContact OD1-NZ 3.65Å; D36-K421 PolarHBondContact OD1-NZ 2.98Å; D36-K421 IonicContact OD2-NZ 3.15Å; D36-K421 PolarHBondContact OD2-NZ 3.16Å
37	T	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.8	-43.5	-179.5	-61.9	0	0	0	0	111.6	M33 M34 L35 V40 G41 V89 S105 L109	M33-T37 VanDerWaalsContact O-CB 3.25Å; M33-T37 WeakPolarHBondContact O-CB 3.36Å; M33-T37 PolarHBondContact O-N 2.7Å; M33-T37 PolarHBondContact O-OG1 2.93Å; M34-T37 PolarHBondContact O-N 3.12Å; L35-T37 VanDerWaalsContact C-N 3.35Å; L35-T37 PolarHBondContact O-N 3.09Å; T37-V40 WeakPolarHBondContact O-CG2 3.3Å; T37-G41 WeakPolarHBondContact O-CA 3.39Å; T37-G41 PolarHBondContact O-N 3.25Å; T37-V89 HydrophobicContact CG2-CB 4.45Å; T37-V89 HydrophobicContact CG2-CG1 3.86Å; T37-V89 HydrophobicContact CG2-CG2 3.66Å; T37-S105 WeakPolarHBondContact OG1-CB 3.27Å; T37-L109 HydrophobicContact CG2-CB 4.25Å; T37-L109 HydrophobicContact CG2-CD2 3.77Å
38	L	98.9	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-43.2	176.9	-69.2	172.6	0	0	0	111.4	M34 L35 D36 G41 L42 W69 L109 L113 F422 V438 I442 L454 L458	M34-L38 VanDerWaalsContact O-CG 3.28Å; M34-L38 WeakPolarHBondContact O-CG 3.32Å; M34-L38 PolarHBondContact O-N 2.87Å; L35-L38 PolarHBondContact O-N 3.31Å; D36-L38 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 3.42Å; L38-G41 PolarHBondContact O-N 2.82Å; L38-L42 WeakPolarHBondContact O-CB 3.3Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.2Å; L38-L42 PolarHBondContact O-N 3.33Å; L38-W69 HydrophobicContact CD2-CD2 4.34Å; L38-W69 HydrophobicContact CD2-CE3 4.28Å; L38-W69 HydrophobicContact CD2-CH2 3.83Å; L38-W69 HydrophobicContact CD2-CZ2 3.91Å; L38-W69 HydrophobicContact CD2-CZ3 4.01Å; L38-L109 HydrophobicContact CD2-CD2 3.96Å; L38-L109 HydrophobicContact CG-CD2 3.9Å; L38-L113 HydrophobicContact CD2-CD1 4.13Å; L38-F422 HydrophobicContact CB-CE2 4.2Å; L38-V438 HydrophobicContact CD1-CG1 3.9Å; L38-I442 HydrophobicContact CD1-CD1 3.87Å; L38-I442 HydrophobicContact CD1-CG1 3.96Å; L38-L454 HydrophobicContact CD1-CD1 4.11Å; L38-L454 HydrophobicContact CD1-CD2 4.26Å; L38-L458 HydrophobicContact CD1-CD2 4.49Å; L38-L458 HydrophobicContact CD2-CD1 3.81Å; L38-L458 HydrophobicContact CD2-CD2 3.97Å
39	G	98.8	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.4	-55	178	0	0	0	0	0	112	L35 D36 G41 L42 L43 N425	L35-G39 PolarHBondContact O-N 3.46Å; D36-G39 PolarHBondContact O-N 3.29Å; G39-G41 VanDerWaalsContact C-N 3.27Å; G39-G41 PolarHBondContact O-N 2.9Å; G39-L42 PolarHBondContact O-N 3.18Å; G39-L43 PolarHBondContact O-N 3.25Å; G39-L43 VanDerWaalsContact O-N 3.09Å; G39-N425 WeakPolarHBondContact O-CB 3.33Å
40	V	98.9	Very high	98.5	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-66.8	-31.5	179.2	-56.4	0	0	0	0	112.1	D36 T37 G44 V89 F94 D95	D36-V40 WeakPolarHBondContact O-CG2 3.19Å; D36-V40 PolarHBondContact O-N 2.68Å; T37-V40 WeakPolarHBondContact O-CG2 3.3Å; V40-G44 PolarHBondContact O-N 3.38Å; V40-V89 HydrophobicContact CG2-CG1 4.12Å; V40-F94 HydrophobicContact CB-CB 4.27Å; V40-F94 HydrophobicContact CG1-CB 3.99Å; V40-F94 HydrophobicContact CG1-CD1 4.2Å; V40-F94 HydrophobicContact CG1-CD2 4.29Å; V40-F94 HydrophobicContact CG1-CG 3.88Å; V40-D95 HydrophobicContact CG2-CB 4.07Å
41	G	98.8	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-50.5	172.7	0	0	0	0	0	112.2	T37 L38 G39 G44 T45 A88	T37-G41 WeakPolarHBondContact O-CA 3.39Å; T37-G41 PolarHBondContact O-N 3.25Å; L38-G41 PolarHBondContact O-N 2.82Å; G39-G41 VanDerWaalsContact C-N 3.27Å; G39-G41 PolarHBondContact O-N 2.9Å; G41-G44 WeakPolarHBondContact O-CA 3.38Å; G41-G44 PolarHBondContact O-N 3.33Å; G41-G44 VanDerWaalsContact O-N 3.14Å; G41-T45 WeakPolarHBondContact O-CG2 3.37Å; G41-T45 PolarHBondContact O-N 3.01Å; G41-T45 VanDerWaalsContact O-N 3.17Å; G41-A88 VanDerWaalsContact O-CB 3.25Å; G41-A88 WeakPolarHBondContact O-CB 3.45Å
42	L	98.7	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-50.6	177.1	-74	163.4	0	0	0	111.2	L38 G39 G44 T45 W69 F422 A426 V429 L430 L458	L38-L42 WeakPolarHBondContact O-CB 3.3Å; L38-L42 VanDerWaalsContact O-CG 3.27Å; L38-L42 WeakPolarHBondContact O-CG 3.2Å; L38-L42 PolarHBondContact O-N 3.33Å; G39-L42 PolarHBondContact O-N 3.18Å; L42-G44 PolarHBondContact O-N 2.89Å; L42-T45 WeakPolarHBondContact O-CB 3.13Å; L42-T45 WeakPolarHBondContact O-CG2 3.39Å; L42-T45 PolarHBondContact O-N 3.08Å; L42-T45 VanDerWaalsContact O-N 3.12Å; L42-T45 PolarHBondContact O-OG1 3.47Å; L42-W69 HydrophobicContact CD2-CB 4.17Å; L42-F422 HydrophobicContact CD1-CE2 4.34Å; L42-A426 HydrophobicContact CD1-CB 3.69Å; L42-V429 HydrophobicContact CD2-CG1 4.19Å; L42-V429 WeakPolarHBondContact O-CG2 3.33Å; L42-L430 HydrophobicContact CD1-CD1 3.53Å; L42-L430 HydrophobicContact CD1-CG 4.02Å; L42-L430 HydrophobicContact CD2-CD1 4.18Å; L42-L430 HydrophobicContact CD2-CD2 4Å; L42-L430 HydrophobicContact CD2-CG 4.02Å; L42-L458 HydrophobicContact CD1-CD2 4.13Å; L42-L458 HydrophobicContact CD2-CD2 4.41Å; L42-L458 HydrophobicContact CG-CD2 4.47Å
43	L	98.4	Very high	98.4	Very high	19 Å²	19	22.6 Å²	22.6	10%	0.099	11%	0.114	C	C	.	.	H	α-helix	trans	-56	-42.3	174.7	179.1	62.9	0	0	0	111.4	G39 T45 R46 M92 F94 V349 N425	G39-L43 PolarHBondContact O-N 3.25Å; G39-L43 VanDerWaalsContact O-N 3.09Å; L43-T45 PolarHBondContact O-N 3.3Å; L43-R46 WeakPolarHBondContact O-CB 3.34Å; L43-R46 PolarHBondContact O-N 2.98Å; L43-M92 HydrophobicContact CD2-CE 3.93Å; L43-M92 HydrophobicContact CD2-SD 3.97Å; L43-M92 HydrophobicContact CG-CE 4.35Å; L43-M92 HydrophobicContact CG-SD 3.88Å; L43-F94 HydrophobicContact CD2-CD1 4.23Å; L43-F94 HydrophobicContact CD2-CE1 4.25Å; L43-V349 HydrophobicContact CD2-CG2 4Å; L43-N425 HydrophobicContact CB-CB 4.09Å; L43-N425 HydrophobicContact CD2-CB 4.47Å; L43-N425 WeakPolarHBondContact CD2-OD1 3.48Å
44	G	98.6	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-21.1	179.7	0	0	0	0	0	115.4	V40 G41 L42 R46 T47 F50 A88 S91	V40-G44 PolarHBondContact O-N 3.38Å; G41-G44 WeakPolarHBondContact O-CA 3.38Å; G41-G44 PolarHBondContact O-N 3.33Å; G41-G44 VanDerWaalsContact O-N 3.14Å; L42-G44 PolarHBondContact O-N 2.89Å; G44-R46 PolarHBondContact O-N 3.43Å; G44-R46 VanDerWaalsContact O-N 3.09Å; G44-T47 WeakPolarHBondContact O-CB 3.35Å; G44-T47 WeakPolarHBondContact O-CG2 3.4Å; G44-T47 PolarHBondContact O-N 3.37Å; G44-T47 VanDerWaalsContact O-N 3.08Å; G44-T47 PolarHBondContact O-OG1 3.44Å; G44-F50 WeakPolarHBondContact O-CB 3.32Å; G44-A88 WeakPolarHBondContact CA-O 3.43Å; G44-S91 WeakPolarHBondContact CA-OG 3.12Å
45	T	98.2	Very high	98.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.3	175.4	69.1	0	0	0	0	113.5	G41 L42 L43 F50 W69 R71 A88	G41-T45 WeakPolarHBondContact O-CG2 3.37Å; G41-T45 PolarHBondContact O-N 3.01Å; G41-T45 VanDerWaalsContact O-N 3.17Å; L42-T45 WeakPolarHBondContact O-CB 3.13Å; L42-T45 WeakPolarHBondContact O-CG2 3.39Å; L42-T45 PolarHBondContact O-N 3.08Å; L42-T45 VanDerWaalsContact O-N 3.12Å; L42-T45 PolarHBondContact O-OG1 3.47Å; L43-T45 PolarHBondContact O-N 3.3Å; T45-F50 HydrophobicContact CG2-CE1 4.46Å; T45-F50 HydrophobicContact CG2-CE2 4.14Å; T45-F50 HydrophobicContact CG2-CZ 4.02Å; T45-F50 WeakPolarHBondContact O-CD1 3.33Å; T45-F50 WeakPolarHBondContact O-CE1 3.41Å; T45-W69 VanDerWaalsContact CG2-O 3.26Å; T45-W69 WeakPolarHBondContact CG2-O 3.25Å; T45-R71 PolarHBondContact O-NH2 3.01Å; T45-A88 HydrophobicContact CG2-CB 4.24Å
46	R	96.1	Very high	98.3	Very high	143 Å²	143	35.2 Å²	35.2	54%	0.54	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.5	177.7	-58.1	-179.7	62.7	110.8	1.5	112.9	L43 G44 S428 V429	L43-R46 WeakPolarHBondContact O-CB 3.34Å; L43-R46 PolarHBondContact O-N 2.98Å; G44-R46 PolarHBondContact O-N 3.43Å; G44-R46 VanDerWaalsContact O-N 3.09Å; R46-S428 PolarHBondContact NH1-O 3.2Å; R46-V429 HydrophobicContact CG-CG2 4.16Å
47	T	97.7	Very high	98.3	Very high	19 Å²	19	35.1 Å²	35.1	12%	0.117	17%	0.166	C	C	.	.	S	Bend	trans	-79.3	153.8	-175.4	64.6	0	0	0	0	113.3	G44 V49 F50 N51 S91 M92	G44-T47 WeakPolarHBondContact O-CB 3.35Å; G44-T47 WeakPolarHBondContact O-CG2 3.4Å; G44-T47 PolarHBondContact O-N 3.37Å; G44-T47 VanDerWaalsContact O-N 3.08Å; G44-T47 PolarHBondContact O-OG1 3.44Å; T47-V49 VanDerWaalsContact C-N 3.31Å; T47-V49 PolarHBondContact O-N 3.45Å; T47-V49 WeakPolarHBondContact OG1-CG1 3.47Å; T47-F50 PolarHBondContact O-N 2.9Å; T47-F50 WeakPolarHBondContact OG1-CB 3.31Å; T47-F50 PolarHBondContact OG1-N 2.96Å; T47-N51 PolarHBondContact O-N 3.26Å; T47-N51 PolarHBondContact O-ND2 2.97Å; T47-S91 WeakPolarHBondContact CG2-OG 3.1Å; T47-S91 WeakPolarHBondContact OG1-CB 3.24Å; T47-M92 HydrophobicContact CG2-CG 3.72Å; T47-M92 HydrophobicContact CG2-SD 4Å
48	A	96.9	Very high	98.1	Very high	57 Å²	57	38.6 Å²	38.6	47%	0.471	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-36.1	176.5	0	0	0	0	0	112.7	N51 K52	A48-N51 PolarHBondContact O-N 2.84Å; A48-K52 VanDerWaalsContact O-CG 3.29Å; A48-K52 WeakPolarHBondContact O-CG 3.36Å; A48-K52 PolarHBondContact O-N 3.45Å
49	V	98.3	Very high	98	Very high	10 Å²	10	45.5 Å²	45.5	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-43.2	178.5	62.4	0	0	0	0	111.6	T47 K52 V53 I87 Q203 P206	T47-V49 VanDerWaalsContact C-N 3.31Å; T47-V49 PolarHBondContact O-N 3.45Å; T47-V49 WeakPolarHBondContact OG1-CG1 3.47Å; V49-K52 PolarHBondContact O-N 3.42Å; V49-V53 PolarHBondContact O-N 2.49Å; V49-V53 VanDerWaalsContact O-N 3.17Å; V49-I87 HydrophobicContact CG1-CG2 4.17Å; V49-I87 HydrophobicContact CG2-CG2 4.04Å; V49-Q203 HydrophobicContact CB-CG 3.8Å; V49-Q203 HydrophobicContact CG2-CG 3.95Å; V49-Q203 WeakPolarHBondContact CG2-O 3.42Å; V49-P206 HydrophobicContact CG1-CB 4.37Å; V49-P206 HydrophobicContact CG1-CG 4.18Å; V49-P206 HydrophobicContact CG2-CB 4.3Å; V49-P206 HydrophobicContact CG2-CG 4.37Å
50	F	98.5	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-50.6	174.5	172.7	-93.2	0	0	0	111	G44 T45 T47 K52 V53 L54 I68 V84 A88	G44-F50 WeakPolarHBondContact O-CB 3.32Å; T45-F50 HydrophobicContact CG2-CE1 4.46Å; T45-F50 HydrophobicContact CG2-CE2 4.14Å; T45-F50 HydrophobicContact CG2-CZ 4.02Å; T45-F50 WeakPolarHBondContact O-CD1 3.33Å; T45-F50 WeakPolarHBondContact O-CE1 3.41Å; T47-F50 PolarHBondContact O-N 2.9Å; T47-F50 WeakPolarHBondContact OG1-CB 3.31Å; T47-F50 PolarHBondContact OG1-N 2.96Å; F50-K52 VanDerWaalsContact C-N 3.33Å; F50-K52 PolarHBondContact O-N 2.94Å; F50-V53 PolarHBondContact O-N 2.92Å; F50-L54 HydrophobicContact CE1-CB 4.4Å; F50-L54 HydrophobicContact CE1-CD2 3.7Å; F50-L54 HydrophobicContact CZ-CD2 4.11Å; F50-L54 VanDerWaalsContact O-CB 3.28Å; F50-L54 WeakPolarHBondContact O-CB 3.45Å; F50-L54 PolarHBondContact O-N 3.25Å; F50-I68 HydrophobicContact CE2-CG2 4.18Å; F50-I68 HydrophobicContact CZ-CG2 3.62Å; F50-V84 HydrophobicContact CD2-CB 4.44Å; F50-V84 WeakPolarHBondContact CD2-O 3.34Å; F50-V84 HydrophobicContact CE2-CB 4.04Å; F50-V84 HydrophobicContact CE2-CG2 4.36Å; F50-A88 HydrophobicContact CD2-CB 3.66Å; F50-A88 HydrophobicContact CE2-CB 4Å
51	N	98.1	Very high	97.7	Very high	71 Å²	71	54.7 Å²	54.7	38%	0.38	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-38.7	-178.5	-72.3	-40	0	0	0	112.9	T47 A48 K55	T47-N51 PolarHBondContact O-N 3.26Å; T47-N51 PolarHBondContact O-ND2 2.97Å; A48-N51 PolarHBondContact O-N 2.84Å; N51-K55 WeakPolarHBondContact O-CB 3.45Å; N51-K55 PolarHBondContact O-N 2.75Å
52	K	98.6	Very high	97.5	Very high	121 Å²	121	57.3 Å²	57.3	53%	0.526	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-47.7	175.9	-74.6	172.7	-173.9	-177.2	0	111.7	A48 V49 F50 K55 Y56	A48-K52 VanDerWaalsContact O-CG 3.29Å; A48-K52 WeakPolarHBondContact O-CG 3.36Å; A48-K52 PolarHBondContact O-N 3.45Å; V49-K52 PolarHBondContact O-N 3.42Å; F50-K52 VanDerWaalsContact C-N 3.33Å; F50-K52 PolarHBondContact O-N 2.94Å; K52-K55 PolarHBondContact O-N 3.47Å; K52-Y56 PolarHBondContact O-N 3.06Å; K52-Y56 VanDerWaalsContact O-N 3.15Å
53	V	98.3	Very high	97.2	Very high	22 Å²	22	66.3 Å²	66.3	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-77.7	-29.8	-177.4	-175.4	0	0	0	0	112.1	V49 F50 Y56 S57 L83 V84 I87	V49-V53 PolarHBondContact O-N 2.49Å; V49-V53 VanDerWaalsContact O-N 3.17Å; F50-V53 PolarHBondContact O-N 2.92Å; V53-Y56 HydrophobicContact CG1-CD1 4.48Å; V53-Y56 PolarHBondContact O-N 3.15Å; V53-S57 VanDerWaalsContact O-CB 3.28Å; V53-S57 WeakPolarHBondContact O-CB 3.49Å; V53-S57 PolarHBondContact O-N 3.47Å; V53-S57 PolarHBondContact O-OG 3.44Å; V53-L83 HydrophobicContact CG1-CD2 3.84Å; V53-L83 HydrophobicContact CG1-CG 4.05Å; V53-V84 HydrophobicContact CG1-CG1 4.24Å; V53-I87 HydrophobicContact CB-CD1 3.7Å; V53-I87 HydrophobicContact CG1-CD1 3.48Å; V53-I87 VanDerWaalsContact CG1-CD1 3.48Å; V53-I87 HydrophobicContact CG2-CD1 3.75Å
54	L	98.1	Very high	96.9	Very high	8 Å²	8	70.4 Å²	70.4	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-46.6	169.2	175.4	57.8	0	0	0	111.1	F50 Y56 S57 Q58 I68 L76 V84	F50-L54 HydrophobicContact CE1-CB 4.4Å; F50-L54 HydrophobicContact CE1-CD2 3.7Å; F50-L54 HydrophobicContact CZ-CD2 4.11Å; F50-L54 VanDerWaalsContact O-CB 3.28Å; F50-L54 WeakPolarHBondContact O-CB 3.45Å; F50-L54 PolarHBondContact O-N 3.25Å; L54-Y56 PolarHBondContact O-N 2.68Å; L54-S57 PolarHBondContact O-N 2.95Å; L54-Q58 HydrophobicContact CD1-CG 4.34Å; L54-Q58 VanDerWaalsContact O-CG 3.28Å; L54-Q58 WeakPolarHBondContact O-CG 3.21Å; L54-Q58 PolarHBondContact O-N 2.95Å; L54-I68 HydrophobicContact CD1-CD1 3.42Å; L54-I68 VanDerWaalsContact CD1-CD1 3.42Å; L54-I68 HydrophobicContact CD1-CG1 4.45Å; L54-L76 HydrophobicContact CD1-CD1 4.09Å; L54-V84 HydrophobicContact CB-CG1 4.46Å
55	K	98.1	Very high	96.8	Very high	160 Å²	160	76.3 Å²	76.3	70%	0.696	37%	0.368	S	S	*	.	H	α-helix	trans	-60.4	-43.2	176.3	-175.7	176.8	179.8	178.6	0	112.2	N51 K52	N51-K55 WeakPolarHBondContact O-CB 3.45Å; N51-K55 PolarHBondContact O-N 2.75Å; K52-K55 PolarHBondContact O-N 3.47Å
56	Y	98.4	Very high	96.7	Very high	102 Å²	102	76.3 Å²	76.3	40%	0.4	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-45.7	173.3	165.3	-104.3	0	0	0	111.8	K52 V53 L54 Q58 M59 F60 Y80	K52-Y56 PolarHBondContact O-N 3.06Å; K52-Y56 VanDerWaalsContact O-N 3.15Å; V53-Y56 HydrophobicContact CG1-CD1 4.48Å; V53-Y56 PolarHBondContact O-N 3.15Å; L54-Y56 PolarHBondContact O-N 2.68Å; Y56-Q58 VanDerWaalsContact C-N 3.26Å; Y56-Q58 PolarHBondContact O-N 3.29Å; Y56-M59 HydrophobicContact CD2-SD 4.3Å; Y56-M59 VanDerWaalsContact O-CB 3.31Å; Y56-M59 WeakPolarHBondContact O-CB 3.37Å; Y56-M59 WeakPolarHBondContact O-CG 3.17Å; Y56-M59 PolarHBondContact O-N 3.43Å; Y56-M59 VanDerWaalsContact O-N 3.16Å; Y56-F60 HydrophobicContact CD1-CE2 4.48Å; Y56-F60 HydrophobicContact CD2-CE2 4.43Å; Y56-F60 AromaticContact CE1-CE2 3.93Å; Y56-F60 HydrophobicContact CE1-CE2 3.93Å; Y56-F60 AromaticContact CE2-CE2 3.87Å; Y56-F60 HydrophobicContact CE2-CE2 3.87Å; Y56-F60 HydrophobicContact CE2-CZ 4.15Å; Y56-F60 AromaticContact CZ-CE2 3.59Å; Y56-F60 AromaticContact CZ-CZ 3.91Å; Y56-Y80 AromaticContact CE1-CE1 3.96Å; Y56-Y80 HydrophobicContact CE1-CE1 3.96Å
57	S	98.2	Very high	96.7	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-27.3	-175.4	-59.3	0	0	0	0	112.9	V53 L54 M59 F60 L76 V84	V53-S57 VanDerWaalsContact O-CB 3.28Å; V53-S57 WeakPolarHBondContact O-CB 3.49Å; V53-S57 PolarHBondContact O-N 3.47Å; V53-S57 PolarHBondContact O-OG 3.44Å; L54-S57 PolarHBondContact O-N 2.95Å; S57-M59 PolarHBondContact O-N 3.01Å; S57-F60 PolarHBondContact O-N 3.38Å; S57-F60 VanDerWaalsContact O-N 3.15Å; S57-L76 WeakPolarHBondContact O-CD2 3.32Å; S57-V84 WeakPolarHBondContact OG-CG1 3.31Å
58	Q	96.4	Very high	96.7	Very high	74 Å²	74	69.1 Å²	69.1	35%	0.346	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.3	175.6	-76.5	163.6	-2.6	0	0	114.1	L54 Y56 F60 L76	L54-Q58 HydrophobicContact CD1-CG 4.34Å; L54-Q58 VanDerWaalsContact O-CG 3.28Å; L54-Q58 WeakPolarHBondContact O-CG 3.21Å; L54-Q58 PolarHBondContact O-N 2.95Å; Y56-Q58 VanDerWaalsContact C-N 3.26Å; Y56-Q58 PolarHBondContact O-N 3.29Å; Q58-F60 PolarHBondContact O-N 2.89Å; Q58-L76 HydrophobicContact CG-CD2 4.3Å
59	M	97	Very high	96.7	Very high	144 Å²	144	66.7 Å²	66.7	71%	0.709	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.2	173.5	-59.9	173.6	62.8	0	0	112.5	Y56 S57	Y56-M59 HydrophobicContact CD2-SD 4.3Å; Y56-M59 VanDerWaalsContact O-CB 3.31Å; Y56-M59 WeakPolarHBondContact O-CB 3.37Å; Y56-M59 WeakPolarHBondContact O-CG 3.17Å; Y56-M59 PolarHBondContact O-N 3.43Å; Y56-M59 VanDerWaalsContact O-N 3.16Å; S57-M59 PolarHBondContact O-N 3.01Å
60	F	96.6	Very high	96.5	Very high	73 Å²	73	66.4 Å²	66.4	32%	0.32	32%	0.319	S	S	.	.			trans	-109.9	138.4	-176.9	-55.5	-84.1	0	0	0	111.2	Y56 S57 Q58 P77 Y80	Y56-F60 HydrophobicContact CD1-CE2 4.48Å; Y56-F60 HydrophobicContact CD2-CE2 4.43Å; Y56-F60 AromaticContact CE1-CE2 3.93Å; Y56-F60 HydrophobicContact CE1-CE2 3.93Å; Y56-F60 AromaticContact CE2-CE2 3.87Å; Y56-F60 HydrophobicContact CE2-CE2 3.87Å; Y56-F60 HydrophobicContact CE2-CZ 4.15Å; Y56-F60 AromaticContact CZ-CE2 3.59Å; Y56-F60 AromaticContact CZ-CZ 3.91Å; S57-F60 PolarHBondContact O-N 3.38Å; S57-F60 VanDerWaalsContact O-N 3.15Å; Q58-F60 PolarHBondContact O-N 2.89Å; F60-P77 HydrophobicContact CB-CG 4.36Å; F60-Y80 HydrophobicContact CB-CD2 4.32Å; F60-Y80 HydrophobicContact CB-CE2 4.04Å; F60-Y80 HydrophobicContact CD1-CE2 4.33Å; F60-Y80 AromaticContact CD1-CZ 3.97Å; F60-Y80 HydrophobicContact CD2-CD1 4.03Å; F60-Y80 AromaticContact CD2-CE1 3.39Å; F60-Y80 HydrophobicContact CD2-CE1 3.39Å; F60-Y80 HydrophobicContact CD2-CE2 4.11Å; F60-Y80 AromaticContact CD2-CZ 3.43Å; F60-Y80 VanDerWaalsContact CD2-CZ 3.43Å; F60-Y80 WeakPolarHBondContact CE1-OH 3.33Å; F60-Y80 HydrophobicContact CE2-CD1 4.49Å; F60-Y80 AromaticContact CE2-CE1 3.55Å; F60-Y80 HydrophobicContact CE2-CE1 3.55Å; F60-Y80 AromaticContact CE2-CZ 3.69Å; F60-Y80 WeakPolarHBondContact CE2-OH 3.42Å; F60-Y80 HydrophobicContact CG-CE1 4.04Å; F60-Y80 AromaticContact CG-CE2 3.89Å; F60-Y80 HydrophobicContact CG-CE2 3.89Å; F60-Y80 AromaticContact CG-CZ 3.59Å; F60-Y80 HydrophobicContact CZ-CE1 4.29Å; F60-Y80 WeakPolarHBondContact CZ-OH 3.42Å
61	T	93.8	Very high	96.2	Very high	123 Å²	123	69.9 Å²	69.9	76%	0.755	33%	0.332	S	S	*	.			trans	-127.4	155.8	177.9	59.1	0	0	0	0	110.4
62	S	94	Very high	95.7	Very high	56 Å²	56	69.9 Å²	69.9	39%	0.392	34%	0.337	S	S	.	.			trans	-158.5	156.4	178.1	-176.4	0	0	0	0	108.8	R65	S62-R65 WeakPolarHBondContact O-CG 3.31Å
63	E	91.9	Very high	95	Very high	189 Å²	189	69.3 Å²	69.3	88%	0.883	34%	0.34	S	S	*	.	S	Bend	trans	-62.8	-43.4	172.5	-64.3	-175.7	163.4	0	0	111.3
64	H	93.9	Very high	94.5	Very high	105 Å²	105	73 Å²	73	49%	0.486	35%	0.351	S	S	.	.	S	Bend	trans	-81.8	128.6	173.6	-65.3	-52.7	0	0	0	110.4	P78 T118	H64-P78 WeakPolarHBondContact O-CD 3.5Å; H64-T118 HydrophobicContact CB-CG2 3.95Å
65	R	95	Very high	94.3	Very high	124 Å²	124	74.9 Å²	74.9	47%	0.468	36%	0.364	S	S	.	.			trans	-131.5	144.6	-176.8	-53.2	-166.9	70.6	162.4	-2.3	110.9	S62 T75 L76	S62-R65 WeakPolarHBondContact O-CG 3.31Å; R65-T75 PolarHBondContact NE-OG1 3.26Å; R65-T75 PolarHBondContact NH2-O 3.13Å; R65-T75 PolarHBondContact NH2-OG1 3.11Å; R65-L76 CarbonylContact C-O 3.47Å; R65-L76 WeakPolarHBondContact CA-O 3.31Å
66	S	96.6	Very high	94.3	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.2	178.7	-50.5	0	0	0	0	110.8	T75 L76 P78 A114 E117	S66-T75 CarbonylContact O-C 3.6Å; S66-T75 WeakPolarHBondContact O-CA 3.41Å; S66-T75 VanDerWaalsContact O-CB 3.31Å; S66-T75 WeakPolarHBondContact O-CB 3.42Å; S66-L76 PolarHBondContact N-O 3.33Å; S66-L76 PolarHBondContact O-N 2.93Å; S66-P78 WeakPolarHBondContact OG-CA 3.32Å; S66-P78 WeakPolarHBondContact OG-CB 3.49Å; S66-A114 PolarHBondContact OG-O 2.91Å; S66-E117 WeakPolarHBondContact CA-OE2 3.27Å; S66-E117 WeakPolarHBondContact CB-OE2 3.45Å
67	S	96	Very high	94.3	Very high	11 Å²	11	63.1 Å²	63.1	8%	0.077	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.9	-173.6	-57.3	0	0	0	0	112.6	N85 E117 R459	S67-N85 PolarHBondContact O-ND2 3.48Å; S67-E117 WeakPolarHBondContact CB-OE1 3.48Å; S67-E117 PolarHBondContact N-OE2 2.93Å; S67-E117 PolarHBondContact OG-OE1 3.44Å; S67-E117 PolarHBondContact OG-OE2 3.18Å; S67-R459 PolarHBondContact OG-NH1 2.94Å
68	I	97.1	Very high	94.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.8	165.8	-59.4	161.3	0	0	0	106.7	F50 L54 G70 R71 R74 L76 V84	F50-I68 HydrophobicContact CE2-CG2 4.18Å; F50-I68 HydrophobicContact CZ-CG2 3.62Å; L54-I68 HydrophobicContact CD1-CD1 3.42Å; L54-I68 VanDerWaalsContact CD1-CD1 3.42Å; L54-I68 HydrophobicContact CD1-CG1 4.45Å; I68-G70 PolarHBondContact O-N 3.21Å; I68-R71 HydrophobicContact CB-CB 4.02Å; I68-R71 HydrophobicContact CB-CG 4.31Å; I68-R71 HydrophobicContact CG2-CB 3.98Å; I68-R71 HydrophobicContact CG2-CG 3.7Å; I68-R71 PolarHBondContact O-N 3.08Å; I68-R71 VanDerWaalsContact O-N 3.14Å; I68-R74 HydrophobicContact CD1-CB 3.61Å; I68-L76 HydrophobicContact CD1-CD1 3.65Å; I68-L76 HydrophobicContact CD1-CG 3.62Å; I68-L76 HydrophobicContact CG1-CD1 3.92Å; I68-L76 HydrophobicContact CG1-CG 4.08Å; I68-V84 HydrophobicContact CG1-CG2 4.09Å; I68-V84 HydrophobicContact CG2-CG2 4.12Å
69	W	97.6	Very high	94.4	Very high	6 Å²	6	62 Å²	62	2%	0.023	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	136.3	-175.4	-57.2	-15.5	0	0	0	110.4	L38 L42 T45 R71 N85 V89 L109 P110 L113	L38-W69 HydrophobicContact CD2-CD2 4.34Å; L38-W69 HydrophobicContact CD2-CE3 4.28Å; L38-W69 HydrophobicContact CD2-CH2 3.83Å; L38-W69 HydrophobicContact CD2-CZ2 3.91Å; L38-W69 HydrophobicContact CD2-CZ3 4.01Å; L42-W69 HydrophobicContact CD2-CB 4.17Å; T45-W69 VanDerWaalsContact CG2-O 3.26Å; T45-W69 WeakPolarHBondContact CG2-O 3.25Å; W69-R71 PolarHBondContact O-N 3.13Å; W69-N85 HydrophobicContact CD2-CB 3.89Å; W69-N85 HydrophobicContact CE3-CB 4.16Å; W69-N85 HydrophobicContact CG-CB 4.38Å; W69-N85 HydrophobicContact CH2-CB 4.36Å; W69-N85 HydrophobicContact CZ2-CB 4.07Å; W69-N85 HydrophobicContact CZ3-CB 4.4Å; W69-N85 PolarHBondContact N-OD1 2.81Å; W69-N85 PolarHBondContact NE1-ND2 2.85Å; W69-V89 HydrophobicContact CH2-CG2 4Å; W69-V89 HydrophobicContact CZ3-CG2 3.51Å; W69-L109 HydrophobicContact CH2-CD2 4.46Å; W69-L109 HydrophobicContact CH2-CG 4.47Å; W69-P110 HydrophobicContact CH2-CB 4.38Å; W69-P110 HydrophobicContact CH2-CG 3.77Å; W69-P110 HydrophobicContact CZ2-CB 4.28Å; W69-P110 HydrophobicContact CZ2-CG 4.15Å; W69-L113 HydrophobicContact CZ2-CD1 3.85Å
70	G	94.9	Very high	94.5	Very high	5 Å²	5	57 Å²	57	5%	0.052	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	14.1	-179.3	0	0	0	0	0	115.5	I68 V429 L458 T461	I68-G70 PolarHBondContact O-N 3.21Å; G70-V429 VanDerWaalsContact CA-CG1 3.48Å; G70-L458 PolarHBondContact N-O 3.14Å; G70-T461 VanDerWaalsContact O-CG2 3.27Å; G70-T461 WeakPolarHBondContact O-CG2 3.48Å
71	R	91.6	Very high	94.6	Very high	73 Å²	73	53.5 Å²	53.5	28%	0.275	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	86.8	177.8	-57.4	-65	179	-176.9	-0.7	110.1	T45 I68 W69 D73 R74	T45-R71 PolarHBondContact O-NH2 3.01Å; I68-R71 HydrophobicContact CB-CB 4.02Å; I68-R71 HydrophobicContact CB-CG 4.31Å; I68-R71 HydrophobicContact CG2-CB 3.98Å; I68-R71 HydrophobicContact CG2-CG 3.7Å; I68-R71 PolarHBondContact O-N 3.08Å; I68-R71 VanDerWaalsContact O-N 3.14Å; W69-R71 PolarHBondContact O-N 3.13Å; R71-D73 PolarHBondContact O-N 3.34Å; R71-R74 HydrophobicContact CB-CB 4.2Å; R71-R74 PolarHBondContact O-N 3.47Å
72	S	86.7	Confident	94.8	Very high	71 Å²	71	47.7 Å²	47.7	50%	0.497	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-27.4	-178.2	51.2	0	0	0	0	114.1	R459	S72-R459 WeakPolarHBondContact CB-O 3.46Å
73	D	84.3	Confident	95.1	Very high	108 Å²	108	45 Å²	45	58%	0.578	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-3.1	-176.4	67.1	-39.1	0	0	0	114	R71	R71-D73 PolarHBondContact O-N 3.34Å
74	R	87.5	Confident	95.4	Very high	100 Å²	100	36 Å²	36	38%	0.377	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.6	-166.5	-66.9	169.5	-162.5	-106	-1.5	113.4	I68 R71	I68-R74 HydrophobicContact CD1-CB 3.61Å; R71-R74 HydrophobicContact CB-CB 4.2Å; R71-R74 PolarHBondContact O-N 3.47Å
75	T	95.7	Very high	95.6	Very high	48 Å²	48	31 Å²	31	29%	0.294	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159	170.4	56.6	0	0	0	0	109.7	R65 S66	R65-T75 PolarHBondContact NE-OG1 3.26Å; R65-T75 PolarHBondContact NH2-O 3.13Å; R65-T75 PolarHBondContact NH2-OG1 3.11Å; S66-T75 CarbonylContact O-C 3.6Å; S66-T75 WeakPolarHBondContact O-CA 3.41Å; S66-T75 VanDerWaalsContact O-CB 3.31Å; S66-T75 WeakPolarHBondContact O-CB 3.42Å
76	L	97.9	Very high	95.8	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	163.9	179.3	-73.3	172.7	0	0	0	110	L54 S57 Q58 R65 S66 I68 A81 V84	L54-L76 HydrophobicContact CD1-CD1 4.09Å; S57-L76 WeakPolarHBondContact O-CD2 3.32Å; Q58-L76 HydrophobicContact CG-CD2 4.3Å; R65-L76 CarbonylContact C-O 3.47Å; R65-L76 WeakPolarHBondContact CA-O 3.31Å; S66-L76 PolarHBondContact N-O 3.33Å; S66-L76 PolarHBondContact O-N 2.93Å; I68-L76 HydrophobicContact CD1-CD1 3.65Å; I68-L76 HydrophobicContact CD1-CG 3.62Å; I68-L76 HydrophobicContact CG1-CD1 3.92Å; I68-L76 HydrophobicContact CG1-CG 4.08Å; L76-A81 HydrophobicContact CB-CB 4.22Å; L76-V84 HydrophobicContact CD1-CG1 4.01Å; L76-V84 HydrophobicContact CD1-CG2 3.83Å
77	P	98.3	Very high	95.9	Very high	12 Å²	12	25.1 Å²	25.1	8%	0.078	13%	0.131	C	C	.	.			trans	-52.2	145	163	-21.3	31.8	0	0	0	110.2	F60 C79 Y80 A81	F60-P77 HydrophobicContact CB-CG 4.36Å; P77-C79 VanDerWaalsContact C-N 3.32Å; P77-C79 PolarHBondContact O-N 2.86Å; P77-Y80 HydrophobicContact CB-CD2 4.15Å; P77-Y80 HydrophobicContact CG-CD2 4.34Å; P77-Y80 CarbonylContact O-C 3.32Å; P77-Y80 WeakPolarHBondContact O-CA 3.34Å; P77-Y80 PolarHBondContact O-N 3.2Å; P77-A81 PolarHBondContact O-N 3.07Å
78	P	97.8	Very high	96	Very high	23 Å²	23	24.6 Å²	24.6	15%	0.149	13%	0.128	C	C	.	.	H	α-helix	trans	-54.9	-42.8	-168.1	19.9	-34.8	0	0	0	113.7	H64 S66 Y80 A81 A82 A114 T118 L217	H64-P78 WeakPolarHBondContact O-CD 3.5Å; S66-P78 WeakPolarHBondContact OG-CA 3.32Å; S66-P78 WeakPolarHBondContact OG-CB 3.49Å; P78-Y80 VanDerWaalsContact C-N 3.26Å; P78-Y80 PolarHBondContact O-N 2.95Å; P78-A81 PolarHBondContact O-N 3.27Å; P78-A82 WeakPolarHBondContact O-CB 3.4Å; P78-A82 PolarHBondContact O-N 3.11Å; P78-A114 HydrophobicContact CB-CB 4.38Å; P78-A114 WeakPolarHBondContact O-CB 3.39Å; P78-T118 HydrophobicContact CB-CG2 3.87Å; P78-T118 HydrophobicContact CG-CG2 3.96Å; P78-L217 HydrophobicContact CB-CD2 4.29Å
79	C	98.4	Very high	96.1	Very high	28 Å²	28	24.6 Å²	24.6	19%	0.189	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-33.9	176.5	-67.2	0	0	0	0	113.1	P77 L83 R214	P77-C79 VanDerWaalsContact C-N 3.32Å; P77-C79 PolarHBondContact O-N 2.86Å; C79-L83 WeakPolarHBondContact O-CB 3.3Å; C79-L83 PolarHBondContact O-N 2.77Å; C79-L83 VanDerWaalsContact O-N 3.12Å; C79-R214 HydrophobicContact CB-CG 4.03Å; C79-R214 WeakPolarHBondContact O-CB 3.39Å; C79-R214 VanDerWaalsContact O-CG 3.32Å; C79-R214 WeakPolarHBondContact O-CG 3.27Å
80	Y	98.7	Very high	96.2	Very high	38 Å²	38	24.4 Å²	24.4	15%	0.149	13%	0.127	C	C	.	.	H	α-helix	trans	-85.4	-30.2	178.4	-72.4	-89	0	0	0	112.6	Y56 F60 P77 P78 L83 V84	Y56-Y80 AromaticContact CE1-CE1 3.96Å; Y56-Y80 HydrophobicContact CE1-CE1 3.96Å; F60-Y80 HydrophobicContact CB-CD2 4.32Å; F60-Y80 HydrophobicContact CB-CE2 4.04Å; F60-Y80 HydrophobicContact CD1-CE2 4.33Å; F60-Y80 AromaticContact CD1-CZ 3.97Å; F60-Y80 HydrophobicContact CD2-CD1 4.03Å; F60-Y80 AromaticContact CD2-CE1 3.39Å; F60-Y80 HydrophobicContact CD2-CE1 3.39Å; F60-Y80 HydrophobicContact CD2-CE2 4.11Å; F60-Y80 AromaticContact CD2-CZ 3.43Å; F60-Y80 VanDerWaalsContact CD2-CZ 3.43Å; F60-Y80 WeakPolarHBondContact CE1-OH 3.33Å; F60-Y80 HydrophobicContact CE2-CD1 4.49Å; F60-Y80 AromaticContact CE2-CE1 3.55Å; F60-Y80 HydrophobicContact CE2-CE1 3.55Å; F60-Y80 AromaticContact CE2-CZ 3.69Å; F60-Y80 WeakPolarHBondContact CE2-OH 3.42Å; F60-Y80 HydrophobicContact CG-CE1 4.04Å; F60-Y80 AromaticContact CG-CE2 3.89Å; F60-Y80 HydrophobicContact CG-CE2 3.89Å; F60-Y80 AromaticContact CG-CZ 3.59Å; F60-Y80 HydrophobicContact CZ-CE1 4.29Å; F60-Y80 WeakPolarHBondContact CZ-OH 3.42Å; P77-Y80 HydrophobicContact CB-CD2 4.15Å; P77-Y80 HydrophobicContact CG-CD2 4.34Å; P77-Y80 CarbonylContact O-C 3.32Å; P77-Y80 WeakPolarHBondContact O-CA 3.34Å; P77-Y80 PolarHBondContact O-N 3.2Å; P78-Y80 VanDerWaalsContact C-N 3.26Å; P78-Y80 PolarHBondContact O-N 2.95Å; Y80-L83 HydrophobicContact CD1-CD2 4.11Å; Y80-L83 WeakPolarHBondContact O-CB 3.31Å; Y80-L83 PolarHBondContact O-N 3.02Å; Y80-V84 WeakPolarHBondContact O-CG2 3.15Å; Y80-V84 PolarHBondContact O-N 2.92Å
81	A	98.6	Very high	96.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.1	-46.9	167.8	0	0	0	0	0	110.8	L76 P77 P78 L83 V84 N85 A114	L76-A81 HydrophobicContact CB-CB 4.22Å; P77-A81 PolarHBondContact O-N 3.07Å; P78-A81 PolarHBondContact O-N 3.27Å; A81-L83 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 2.84Å; A81-V84 WeakPolarHBondContact O-CG2 3.27Å; A81-V84 PolarHBondContact O-N 3.07Å; A81-N85 VanDerWaalsContact O-CB 3.3Å; A81-N85 WeakPolarHBondContact O-CB 3.19Å; A81-N85 VanDerWaalsContact O-CG 3.27Å; A81-N85 PolarHBondContact O-N 2.7Å; A81-N85 PolarHBondContact O-ND2 3.02Å; A81-A114 HydrophobicContact CB-CB 4.13Å
82	A	98.8	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-41.9	173.5	0	0	0	0	0	112	P78 G86 A114 A213 L217	P78-A82 WeakPolarHBondContact O-CB 3.4Å; P78-A82 PolarHBondContact O-N 3.11Å; A82-G86 PolarHBondContact O-N 2.79Å; A82-A114 HydrophobicContact CB-CB 4.12Å; A82-A213 HydrophobicContact CB-CB 4.2Å; A82-L217 HydrophobicContact CB-CD2 4.32Å
83	L	98.9	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-55.3	175.7	177.6	62.7	0	0	0	112.3	V53 C79 Y80 A81 I87 F207 G210 R214	V53-L83 HydrophobicContact CG1-CD2 3.84Å; V53-L83 HydrophobicContact CG1-CG 4.05Å; C79-L83 WeakPolarHBondContact O-CB 3.3Å; C79-L83 PolarHBondContact O-N 2.77Å; C79-L83 VanDerWaalsContact O-N 3.12Å; Y80-L83 HydrophobicContact CD1-CD2 4.11Å; Y80-L83 WeakPolarHBondContact O-CB 3.31Å; Y80-L83 PolarHBondContact O-N 3.02Å; A81-L83 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 2.84Å; L83-I87 HydrophobicContact CD1-CD1 3.85Å; L83-I87 HydrophobicContact CG-CD1 4.01Å; L83-I87 WeakPolarHBondContact O-CD1 3.42Å; L83-I87 WeakPolarHBondContact O-CG1 3.18Å; L83-I87 PolarHBondContact O-N 3.22Å; L83-F207 HydrophobicContact CD1-CD2 4.18Å; L83-F207 HydrophobicContact CD1-CE2 3.86Å; L83-F207 HydrophobicContact CD2-CE2 4.49Å; L83-G210 WeakPolarHBondContact CA-O 3.46Å; L83-G210 WeakPolarHBondContact CD1-O 3.28Å; L83-G210 WeakPolarHBondContact O-CA 3.27Å; L83-R214 HydrophobicContact CB-CB 4.14Å
84	V	98.8	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-70.9	-38.2	-174.3	-60.8	0	0	0	0	111.9	F50 V53 L54 S57 I68 L76 Y80 A81 I87 A88	F50-V84 HydrophobicContact CD2-CB 4.44Å; F50-V84 WeakPolarHBondContact CD2-O 3.34Å; F50-V84 HydrophobicContact CE2-CB 4.04Å; F50-V84 HydrophobicContact CE2-CG2 4.36Å; V53-V84 HydrophobicContact CG1-CG1 4.24Å; L54-V84 HydrophobicContact CB-CG1 4.46Å; S57-V84 WeakPolarHBondContact OG-CG1 3.31Å; I68-V84 HydrophobicContact CG1-CG2 4.09Å; I68-V84 HydrophobicContact CG2-CG2 4.12Å; L76-V84 HydrophobicContact CD1-CG1 4.01Å; L76-V84 HydrophobicContact CD1-CG2 3.83Å; Y80-V84 WeakPolarHBondContact O-CG2 3.15Å; Y80-V84 PolarHBondContact O-N 2.92Å; A81-V84 WeakPolarHBondContact O-CG2 3.27Å; A81-V84 PolarHBondContact O-N 3.07Å; V84-I87 PolarHBondContact O-N 2.92Å; V84-A88 PolarHBondContact O-N 3.03Å
85	N	98.9	Very high	98.5	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-69.2	-40	177.8	-67.9	-24.6	0	0	0	110.7	S67 W69 A81 I87 A88 V89 P110	S67-N85 PolarHBondContact O-ND2 3.48Å; W69-N85 HydrophobicContact CD2-CB 3.89Å; W69-N85 HydrophobicContact CE3-CB 4.16Å; W69-N85 HydrophobicContact CG-CB 4.38Å; W69-N85 HydrophobicContact CH2-CB 4.36Å; W69-N85 HydrophobicContact CZ2-CB 4.07Å; W69-N85 HydrophobicContact CZ3-CB 4.4Å; W69-N85 PolarHBondContact N-OD1 2.81Å; W69-N85 PolarHBondContact NE1-ND2 2.85Å; A81-N85 VanDerWaalsContact O-CB 3.3Å; A81-N85 WeakPolarHBondContact O-CB 3.19Å; A81-N85 VanDerWaalsContact O-CG 3.27Å; A81-N85 PolarHBondContact O-N 2.7Å; A81-N85 PolarHBondContact O-ND2 3.02Å; N85-I87 PolarHBondContact O-N 3.2Å; N85-A88 VanDerWaalsContact O-CB 3.31Å; N85-A88 WeakPolarHBondContact O-CB 3.5Å; N85-A88 PolarHBondContact O-N 2.92Å; N85-A88 VanDerWaalsContact O-N 3.13Å; N85-V89 WeakPolarHBondContact O-CG2 3.49Å; N85-V89 PolarHBondContact O-N 3.47Å; N85-P110 HydrophobicContact CB-CB 3.94Å; N85-P110 HydrophobicContact CB-CG 4.43Å
86	G	98.9	Very high	98.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-64.7	-36.9	172.9	0	0	0	0	0	113.3	A82 A88 V89 H90 I209	A82-G86 PolarHBondContact O-N 2.79Å; G86-A88 VanDerWaalsContact C-N 3.33Å; G86-V89 PolarHBondContact O-N 3.39Å; G86-H90 PolarHBondContact O-N 2.93Å; G86-I209 WeakPolarHBondContact O-CG2 3.31Å
87	I	98.9	Very high	98.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.6	-41.5	169.7	-76.3	159.6	0	0	0	111.1	V49 V53 L83 V84 N85 V89 H90 S91 P206 F207	V49-I87 HydrophobicContact CG1-CG2 4.17Å; V49-I87 HydrophobicContact CG2-CG2 4.04Å; V53-I87 HydrophobicContact CB-CD1 3.7Å; V53-I87 HydrophobicContact CG1-CD1 3.48Å; V53-I87 VanDerWaalsContact CG1-CD1 3.48Å; V53-I87 HydrophobicContact CG2-CD1 3.75Å; L83-I87 HydrophobicContact CD1-CD1 3.85Å; L83-I87 HydrophobicContact CG-CD1 4.01Å; L83-I87 WeakPolarHBondContact O-CD1 3.42Å; L83-I87 WeakPolarHBondContact O-CG1 3.18Å; L83-I87 PolarHBondContact O-N 3.22Å; V84-I87 PolarHBondContact O-N 2.92Å; N85-I87 PolarHBondContact O-N 3.2Å; I87-V89 VanDerWaalsContact C-N 3.34Å; I87-V89 PolarHBondContact O-N 2.92Å; I87-H90 CarbonylContact O-C 3.34Å; I87-H90 PolarHBondContact O-N 2.84Å; I87-S91 VanDerWaalsContact O-CA 3.28Å; I87-S91 WeakPolarHBondContact O-CA 3.23Å; I87-S91 WeakPolarHBondContact O-CB 3.37Å; I87-S91 PolarHBondContact O-N 2.8Å; I87-P206 HydrophobicContact CG2-CB 4.11Å; I87-F207 HydrophobicContact CD1-CD2 4.02Å
88	A	98.9	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-58.4	-49.3	178	0	0	0	0	0	110.3	G41 G44 T45 F50 V84 N85 G86 H90 S91	G41-A88 VanDerWaalsContact O-CB 3.25Å; G41-A88 WeakPolarHBondContact O-CB 3.45Å; G44-A88 WeakPolarHBondContact CA-O 3.43Å; T45-A88 HydrophobicContact CG2-CB 4.24Å; F50-A88 HydrophobicContact CD2-CB 3.66Å; F50-A88 HydrophobicContact CE2-CB 4Å; V84-A88 PolarHBondContact O-N 3.03Å; N85-A88 VanDerWaalsContact O-CB 3.31Å; N85-A88 WeakPolarHBondContact O-CB 3.5Å; N85-A88 PolarHBondContact O-N 2.92Å; N85-A88 VanDerWaalsContact O-N 3.13Å; G86-A88 VanDerWaalsContact C-N 3.33Å; A88-H90 VanDerWaalsContact C-N 3.31Å; A88-H90 PolarHBondContact O-N 2.94Å; A88-S91 WeakPolarHBondContact O-CB 3.42Å; A88-S91 PolarHBondContact O-N 3.41Å; A88-S91 PolarHBondContact O-OG 3.31Å
89	V	98.9	Very high	98.7	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.006	3%	0.027	C	C	.	.	H	α-helix	trans	-53	-48	178.3	171.7	0	0	0	0	111.7	T37 V40 W69 N85 G86 I87 D95 P110	T37-V89 HydrophobicContact CG2-CB 4.45Å; T37-V89 HydrophobicContact CG2-CG1 3.86Å; T37-V89 HydrophobicContact CG2-CG2 3.66Å; V40-V89 HydrophobicContact CG2-CG1 4.12Å; W69-V89 HydrophobicContact CH2-CG2 4Å; W69-V89 HydrophobicContact CZ3-CG2 3.51Å; N85-V89 WeakPolarHBondContact O-CG2 3.49Å; N85-V89 PolarHBondContact O-N 3.47Å; G86-V89 PolarHBondContact O-N 3.39Å; I87-V89 VanDerWaalsContact C-N 3.34Å; I87-V89 PolarHBondContact O-N 2.92Å; V89-D95 HydrophobicContact CG1-CB 3.62Å; V89-P110 HydrophobicContact CG2-CG 4.37Å
90	H	98.8	Very high	98.7	Very high	2 Å²	2	4 Å²	4	1%	0.009	2%	0.018	C	C	.	.	H	α-helix	trans	-96.2	5.6	-174.3	-158	54.9	0	0	0	114.1	G86 I87 A88 M92 D93 D95 H103 H157 K205 P206 I209	G86-H90 PolarHBondContact O-N 2.93Å; I87-H90 CarbonylContact O-C 3.34Å; I87-H90 PolarHBondContact O-N 2.84Å; A88-H90 VanDerWaalsContact C-N 3.31Å; A88-H90 PolarHBondContact O-N 2.94Å; H90-M92 PolarHBondContact O-N 3.12Å; H90-M92 VanDerWaalsContact O-N 3.16Å; H90-D93 IonicContact CE1-OD1 2.7Å; H90-D93 PolarHBondContact O-N 3.47Å; H90-D95 IonicContact CE1-OD1 3.78Å; H90-D95 IonicContact CE1-OD2 3.91Å; H90-D95 IonicContact CG-OD2 3.77Å; H90-D95 IonicContact ND1-OD1 3.63Å; H90-D95 PolarHBondContact ND1-OD1 2.86Å; H90-D95 IonicContact ND1-OD2 3Å; H90-D95 PolarHBondContact ND1-OD2 3.44Å; H90-H103 AromaticContact CE1-CD2 3.44Å; H90-H103 PolarHBondContact CE1-CD2 3.09Å; H90-H103 VanDerWaalsContact CE1-CD2 3.44Å; H90-H103 AromaticContact CE1-CG 3.72Å; H90-H103 AromaticContact CE1-NE2 3.75Å; H90-H157 AromaticContact NE2-CE1 3.72Å; H90-K205 WeakPolarHBondContact NE2-CE 3.46Å; H90-P206 WeakPolarHBondContact O-CG 3.28Å; H90-I209 HydrophobicContact CB-CB 3.72Å; H90-I209 HydrophobicContact CB-CG1 3.6Å; H90-I209 HydrophobicContact CB-CG2 4.13Å; H90-I209 VanDerWaalsContact CD2-CG1 3.44Å; H90-I209 WeakPolarHBondContact CD2-CG1 3.5Å; H90-I209 VanDerWaalsContact CG-CG1 3.45Å
91	S	98.6	Very high	98.7	Very high	2 Å²	2	2.5 Å²	2.5	1%	0.014	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32	-171.8	58	0	0	0	0	113.6	G44 T47 I87 A88	G44-S91 WeakPolarHBondContact CA-OG 3.12Å; T47-S91 WeakPolarHBondContact CG2-OG 3.1Å; T47-S91 WeakPolarHBondContact OG1-CB 3.24Å; I87-S91 VanDerWaalsContact O-CA 3.28Å; I87-S91 WeakPolarHBondContact O-CA 3.23Å; I87-S91 WeakPolarHBondContact O-CB 3.37Å; I87-S91 PolarHBondContact O-N 2.8Å; A88-S91 WeakPolarHBondContact O-CB 3.42Å; A88-S91 PolarHBondContact O-N 3.41Å; A88-S91 PolarHBondContact O-OG 3.31Å
92	M	98.5	Very high	98.7	Very high	11 Å²	11	2.6 Å²	2.6	5%	0.054	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	9.8	-174.1	-60.7	169.4	65.5	0	0	112.9	L43 T47 H90 F94 P275 R331 V349	L43-M92 HydrophobicContact CD2-CE 3.93Å; L43-M92 HydrophobicContact CD2-SD 3.97Å; L43-M92 HydrophobicContact CG-CE 4.35Å; L43-M92 HydrophobicContact CG-SD 3.88Å; T47-M92 HydrophobicContact CG2-CG 3.72Å; T47-M92 HydrophobicContact CG2-SD 4Å; H90-M92 PolarHBondContact O-N 3.12Å; H90-M92 VanDerWaalsContact O-N 3.16Å; M92-F94 VanDerWaalsContact C-N 3.26Å; M92-F94 HydrophobicContact CB-CB 4.35Å; M92-F94 PolarHBondContact O-N 2.85Å; M92-P275 HydrophobicContact CB-CB 4.03Å; M92-P275 HydrophobicContact CE-CB 4.16Å; M92-P275 HydrophobicContact CE-CG 4.31Å; M92-P275 CarbonylContact O-C 3.56Å; M92-P275 WeakPolarHBondContact O-CB 2.96Å; M92-R331 WeakPolarHBondContact O-CD 3.29Å; M92-V349 HydrophobicContact CE-CB 4.33Å; M92-V349 HydrophobicContact CE-CG1 3.51Å; M92-V349 HydrophobicContact CE-CG2 4.05Å
93	D	98.5	Very high	98.7	Very high	4 Å²	4	3.3 Å²	3.3	2%	0.021	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	45.1	-174.1	-161.2	21.4	0	0	0	112	H90 H103 K205 K272 A276 H277 H332	H90-D93 IonicContact CE1-OD1 2.7Å; H90-D93 PolarHBondContact O-N 3.47Å; D93-H103 IonicContact OD1-CE1 2.64Å; D93-H103 IonicContact OD1-NE2 3.33Å; D93-K205 IonicContact OD1-NZ 3.11Å; D93-K205 PolarHBondContact OD1-NZ 3.27Å; D93-K205 IonicContact OD2-NZ 3.44Å; D93-K205 PolarHBondContact OD2-NZ 3.21Å; D93-K272 VanDerWaalsContact C-NZ 3.29Å; D93-K272 WeakPolarHBondContact O-CD 3.39Å; D93-K272 WeakPolarHBondContact O-CE 3.29Å; D93-K272 PolarHBondContact O-NZ 2.7Å; D93-K272 IonicContact OD1-NZ 2.77Å; D93-K272 PolarHBondContact OD1-NZ 2.72Å; D93-A276 PolarHBondContact O-N 3.37Å; D93-H277 VanDerWaalsContact OD2-CA 3.3Å; D93-H277 WeakPolarHBondContact OD2-CA 3.29Å; D93-H277 PolarHBondContact OD2-N 2.92Å; D93-H332 IonicContact OD2-CE1 3.07Å; D93-H332 IonicContact OD2-NE2 3.04Å; D93-H332 PolarHBondContact OD2-NE2 2.78Å
94	F	98.8	Very high	98.7	Very high	9 Å²	9	3.3 Å²	3.3	4%	0.039	2%	0.017	C	C	.	.			trans	-114.4	-9.9	-173.2	-155.8	170.9	0	0	0	113.3	V40 L43 M92 K272 P275 V349	V40-F94 HydrophobicContact CB-CB 4.27Å; V40-F94 HydrophobicContact CG1-CB 3.99Å; V40-F94 HydrophobicContact CG1-CD1 4.2Å; V40-F94 HydrophobicContact CG1-CD2 4.29Å; V40-F94 HydrophobicContact CG1-CG 3.88Å; L43-F94 HydrophobicContact CD2-CD1 4.23Å; L43-F94 HydrophobicContact CD2-CE1 4.25Å; M92-F94 VanDerWaalsContact C-N 3.26Å; M92-F94 HydrophobicContact CB-CB 4.35Å; M92-F94 PolarHBondContact O-N 2.85Å; F94-K272 HydrophobicContact CD2-CB 3.81Å; F94-K272 HydrophobicContact CE2-CB 4.2Å; F94-K272 VanDerWaalsContact CE2-O 3.25Å; F94-K272 WeakPolarHBondContact CE2-O 3.37Å; F94-P275 HydrophobicContact CB-CB 3.82Å; F94-P275 HydrophobicContact CD1-CB 3.49Å; F94-P275 VanDerWaalsContact CD1-CB 3.49Å; F94-P275 HydrophobicContact CD1-CG 4.17Å; F94-P275 HydrophobicContact CD2-CB 4.29Å; F94-P275 HydrophobicContact CE1-CB 4.01Å; F94-P275 HydrophobicContact CE1-CG 4.21Å; F94-P275 HydrophobicContact CG-CB 3.63Å; F94-V349 HydrophobicContact CE1-CG2 4.01Å
95	D	98.9	Very high	98.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-67.6	166.5	176	56.8	-22.4	0	0	0	113.2	V40 V89 H90 H103 K272	V40-D95 HydrophobicContact CG2-CB 4.07Å; V89-D95 HydrophobicContact CG1-CB 3.62Å; H90-D95 IonicContact CE1-OD1 3.78Å; H90-D95 IonicContact CE1-OD2 3.91Å; H90-D95 IonicContact CG-OD2 3.77Å; H90-D95 IonicContact ND1-OD1 3.63Å; H90-D95 PolarHBondContact ND1-OD1 2.86Å; H90-D95 IonicContact ND1-OD2 3Å; H90-D95 PolarHBondContact ND1-OD2 3.44Å; D95-H103 IonicContact OD1-ND1 3.82Å; D95-H103 IonicContact OD2-CG 3.03Å; D95-K272 WeakPolarHBondContact O-CD 3.41Å; D95-K272 WeakPolarHBondContact O-CE 3.34Å; D95-K272 IonicContact OD1-NZ 3.43Å
96	D	98.8	Very high	98.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.			trans	-56.2	156.9	-178.2	68.3	-5.6	0	0	0	113	H103 P104 S105 V269 A270 F271	D96-H103 PolarHBondContact O-ND1 3.29Å; D96-P104 WeakPolarHBondContact OD1-CD 3.42Å; D96-S105 PolarHBondContact OD1-N 3.32Å; D96-S105 VanDerWaalsContact OD2-CB 3.26Å; D96-S105 WeakPolarHBondContact OD2-CB 3.19Å; D96-S105 PolarHBondContact OD2-OG 3.43Å; D96-V269 HydrophobicContact CB-CB 4.39Å; D96-V269 HydrophobicContact CB-CG2 4.46Å; D96-A270 WeakPolarHBondContact CA-O 3.43Å; D96-F271 HydrophobicContact CB-CD1 4.14Å; D96-F271 HydrophobicContact CB-CE1 4.02Å
97	T	98.9	Very high	98.7	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.006	2%	0.017	C	C	.	.	B	Isolated β-bridge	trans	-135.7	139.7	178.5	-51.6	0	0	0	0	109.9	T102 H103 A270 K272 L278 F381	T97-T102 WeakPolarHBondContact CA-O 3.44Å; T97-H103 PolarHBondContact OG1-CE1 3.2Å; T97-H103 VanDerWaalsContact OG1-CE1 3.29Å; T97-H103 PolarHBondContact OG1-ND1 3.03Å; T97-A270 PolarHBondContact N-O 2.76Å; T97-A270 PolarHBondContact O-N 3.04Å; T97-K272 WeakPolarHBondContact OG1-CE 3.44Å; T97-L278 HydrophobicContact CG2-CB 4.41Å; T97-L278 HydrophobicContact CG2-CD2 3.73Å; T97-F381 HydrophobicContact CG2-CD2 4.04Å; T97-F381 HydrophobicContact CG2-CE2 3.81Å
98	W	98.7	Very high	98.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	B	Isolated β-bridge	trans	-123.3	178.6	-173	-154	33.9	0	0	0	113.6	P100 A101 T102 P104 I136 I263 L264 Q267 V269	W98-P100 CarbonylContact C-O 3.57Å; W98-P100 CarbonylContact O-C 3.58Å; W98-A101 WeakPolarHBondContact O-CA 3.21Å; W98-T102 HydrophobicContact CB-CG2 4.31Å; W98-T102 HydrophobicContact CE3-CG2 4.45Å; W98-T102 PolarHBondContact N-O 3.25Å; W98-P104 HydrophobicContact CB-CG 3.92Å; W98-P104 HydrophobicContact CE3-CB 4.31Å; W98-P104 HydrophobicContact CE3-CG 4.44Å; W98-P104 HydrophobicContact CG-CG 4.37Å; W98-I136 HydrophobicContact CE3-CG2 4.42Å; W98-I136 HydrophobicContact CH2-CG2 3.61Å; W98-I136 HydrophobicContact CZ2-CG2 4.07Å; W98-I136 HydrophobicContact CZ3-CG2 3.79Å; W98-I136 WeakPolarHBondContact CZ3-O 3.43Å; W98-I263 HydrophobicContact CH2-CB 3.94Å; W98-I263 HydrophobicContact CH2-CG2 3.56Å; W98-I263 HydrophobicContact CZ2-CB 4.07Å; W98-I263 HydrophobicContact CZ2-CG2 3.43Å; W98-I263 VanDerWaalsContact CZ2-CG2 3.43Å; W98-L264 HydrophobicContact CZ2-CB 4.42Å; W98-L264 HydrophobicContact CZ2-CD1 4.25Å; W98-Q267 PolarHBondContact NE1-O 3.44Å; W98-V269 HydrophobicContact CB-CG1 4.22Å; W98-V269 VanDerWaalsContact CD1-CG1 3.45Å; W98-V269 HydrophobicContact CG-CG1 3.91Å
99	H	98.3	Very high	98.7	Very high	14 Å²	14	3.3 Å²	3.3	7%	0.065	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	124.8	177.6	-168.7	64.9	0	0	0	111.5	R144 Y150 Q267 W409	H99-R144 PolarHBondContact O-NH2 3.17Å; H99-Y150 AromaticContact CE1-CD1 3.65Å; H99-Y150 AromaticContact NE2-CD1 3.35Å; H99-Y150 VanDerWaalsContact NE2-CD1 3.35Å; H99-Y150 WeakPolarHBondContact NE2-CD1 3.35Å; H99-Y150 AromaticContact NE2-CE1 3.87Å; H99-Q267 HydrophobicContact CB-CG 3.96Å; H99-Q267 WeakPolarHBondContact O-CG 3.35Å; H99-W409 HydrophobicContact CB-CH2 3.7Å; H99-W409 HydrophobicContact CB-CZ2 3.74Å; H99-W409 HydrophobicContact CB-CZ3 4.26Å
100	P	98.5	Very high	98.7	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.006	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	cis	-60.7	164.7	-3	-18.1	30.3	0	0	0	114.2	W98 T102 M143 R144 A149 Y150	W98-P100 CarbonylContact C-O 3.57Å; W98-P100 CarbonylContact O-C 3.58Å; P100-T102 PolarHBondContact O-N 3.06Å; P100-T102 VanDerWaalsContact O-N 3.15Å; P100-M143 HydrophobicContact CB-CB 3.98Å; P100-M143 HydrophobicContact CB-CE 3.97Å; P100-M143 HydrophobicContact CG-CB 3.96Å; P100-R144 HydrophobicContact CG-CG 4.18Å; P100-A149 HydrophobicContact CB-CB 4.12Å; P100-A149 WeakPolarHBondContact CB-O 3.36Å; P100-Y150 HydrophobicContact CB-CD1 4.45Å; P100-Y150 HydrophobicContact CB-CD2 4.36Å; P100-Y150 HydrophobicContact CB-CG 4.26Å; P100-Y150 HydrophobicContact CG-CD1 4.02Å; P100-Y150 HydrophobicContact CG-CD2 4.01Å; P100-Y150 HydrophobicContact CG-CE1 3.84Å; P100-Y150 HydrophobicContact CG-CE2 3.86Å; P100-Y150 HydrophobicContact CG-CG 4.1Å
101	A	97.6	Very high	98.7	Very high	6 Å²	6	3.1 Å²	3.1	5%	0.05	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	107.4	-157.6	0	0	0	0	0	114.4	W98 M143 A149 P158 F381	W98-A101 WeakPolarHBondContact O-CA 3.21Å; A101-M143 WeakPolarHBondContact O-CE 3.3Å; A101-A149 PolarHBondContact N-O 2.98Å; A101-P158 VanDerWaalsContact O-CB 3.31Å; A101-P158 WeakPolarHBondContact O-CB 3.25Å; A101-P158 WeakPolarHBondContact O-CG 3.4Å; A101-F381 HydrophobicContact CB-CD2 3.93Å; A101-F381 HydrophobicContact CB-CE2 3.81Å
102	T	98.7	Very high	98.7	Very high	3 Å²	3	3 Å²	3	2%	0.018	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-156.5	173.8	173.1	-167	0	0	0	0	111.4	T97 W98 P100 P104	T97-T102 WeakPolarHBondContact CA-O 3.44Å; W98-T102 HydrophobicContact CB-CG2 4.31Å; W98-T102 HydrophobicContact CE3-CG2 4.45Å; W98-T102 PolarHBondContact N-O 3.25Å; P100-T102 PolarHBondContact O-N 3.06Å; P100-T102 VanDerWaalsContact O-N 3.15Å; T102-P104 HydrophobicContact CG2-CB 4.16Å
103	H	98.9	Very high	98.7	Very high	15 Å²	15	3.2 Å²	3.2	7%	0.069	2%	0.017	C	C	.	.			trans	-113.3	89.7	172.1	-63	-73.2	0	0	0	108	H90 D93 D95 D96 T97 P159 I209 K272	H90-H103 AromaticContact CE1-CD2 3.44Å; H90-H103 PolarHBondContact CE1-CD2 3.09Å; H90-H103 VanDerWaalsContact CE1-CD2 3.44Å; H90-H103 AromaticContact CE1-CG 3.72Å; H90-H103 AromaticContact CE1-NE2 3.75Å; D93-H103 IonicContact OD1-CE1 2.64Å; D93-H103 IonicContact OD1-NE2 3.33Å; D95-H103 IonicContact OD1-ND1 3.82Å; D95-H103 IonicContact OD2-CG 3.03Å; D96-H103 PolarHBondContact O-ND1 3.29Å; T97-H103 PolarHBondContact OG1-CE1 3.2Å; T97-H103 VanDerWaalsContact OG1-CE1 3.29Å; T97-H103 PolarHBondContact OG1-ND1 3.03Å; H103-P159 HydrophobicContact CB-CG 4.09Å; H103-I209 HydrophobicContact CB-CD1 4.04Å; H103-K272 PolarHBondContact CE1-NZ 3.21Å
104	P	98.9	Very high	98.7	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.			trans	-83	-30	-159.3	34.1	-40	0	0	0	114.2	M33 D96 W98 T102 I136 Q139 V269	M33-P104 HydrophobicContact CE-CG 4.09Å; D96-P104 WeakPolarHBondContact OD1-CD 3.42Å; W98-P104 HydrophobicContact CB-CG 3.92Å; W98-P104 HydrophobicContact CE3-CB 4.31Å; W98-P104 HydrophobicContact CE3-CG 4.44Å; W98-P104 HydrophobicContact CG-CG 4.37Å; T102-P104 HydrophobicContact CG2-CB 4.16Å; P104-I136 HydrophobicContact CB-CD1 3.76Å; P104-I136 HydrophobicContact CG-CD1 4.33Å; P104-Q139 PolarHBondContact O-NE2 3.35Å; P104-V269 HydrophobicContact CG-CG1 4.44Å
105	S	98.9	Very high	98.6	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-80.7	-37.1	-169.2	-63.3	0	0	0	0	113.4	M33 T37 D96 A107 V108 L109 F132	M33-S105 WeakPolarHBondContact CE-OG 3.45Å; T37-S105 WeakPolarHBondContact OG1-CB 3.27Å; D96-S105 PolarHBondContact OD1-N 3.32Å; D96-S105 VanDerWaalsContact OD2-CB 3.26Å; D96-S105 WeakPolarHBondContact OD2-CB 3.19Å; D96-S105 PolarHBondContact OD2-OG 3.43Å; S105-A107 PolarHBondContact O-N 3.02Å; S105-V108 PolarHBondContact O-N 3.26Å; S105-L109 PolarHBondContact O-N 3.25Å; S105-F132 WeakPolarHBondContact OG-CZ 3.42Å
106	G	98.8	Very high	98.6	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-63.9	-22.8	-178.7	0	0	0	0	0	114.4	P110 I209	G106-P110 WeakPolarHBondContact O-CD 3.25Å; G106-P110 VanDerWaalsContact O-CG 3.25Å; G106-P110 WeakPolarHBondContact O-CG 3.36Å; G106-I209 VanDerWaalsContact O-CG2 3.25Å; G106-I209 WeakPolarHBondContact O-CG2 3.29Å
107	A	98.9	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-81.6	-25.9	174.2	0	0	0	0	0	112.7	S105 G163 S167 A212 A213	S105-A107 PolarHBondContact O-N 3.02Å; A107-G163 WeakPolarHBondContact CB-O 3.31Å; A107-S167 WeakPolarHBondContact O-CB 3.33Å; A107-A212 HydrophobicContact CB-CB 3.92Å; A107-A213 VanDerWaalsContact O-CA 3.27Å; A107-A213 WeakPolarHBondContact O-CA 3.42Å; A107-A213 WeakPolarHBondContact O-CB 3.11Å
108	V	98.9	Very high	98.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-100.5	-53	-169.9	177.5	0	0	0	0	111.8	S105 A111 L112 F132 I136 A170	S105-V108 PolarHBondContact O-N 3.26Å; V108-A111 PolarHBondContact O-N 2.79Å; V108-L112 HydrophobicContact CG1-CD1 3.64Å; V108-L112 HydrophobicContact CG1-CG 4.18Å; V108-L112 WeakPolarHBondContact O-CG 3.29Å; V108-L112 PolarHBondContact O-N 3.2Å; V108-F132 HydrophobicContact CB-CD2 4.24Å; V108-F132 HydrophobicContact CB-CE2 4.35Å; V108-F132 HydrophobicContact CG1-CB 4.49Å; V108-F132 HydrophobicContact CG1-CD2 3.7Å; V108-F132 HydrophobicContact CG1-CE2 4.3Å; V108-F132 HydrophobicContact CG1-CG 4.34Å; V108-I136 HydrophobicContact CG2-CD1 4.38Å; V108-A170 HydrophobicContact CG1-CB 3.64Å
109	L	98.9	Very high	98	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.3	-46	-172.1	-176.6	62.9	0	0	0	113.2	M34 T37 L38 W69 S105 A111 L112 L113 F132	M34-L109 HydrophobicContact CB-CD2 4.21Å; M34-L109 HydrophobicContact CE-CD1 3.64Å; M34-L109 HydrophobicContact CG-CD1 4.23Å; M34-L109 HydrophobicContact CG-CD2 4.33Å; T37-L109 HydrophobicContact CG2-CB 4.25Å; T37-L109 HydrophobicContact CG2-CD2 3.77Å; L38-L109 HydrophobicContact CD2-CD2 3.96Å; L38-L109 HydrophobicContact CG-CD2 3.9Å; W69-L109 HydrophobicContact CH2-CD2 4.46Å; W69-L109 HydrophobicContact CH2-CG 4.47Å; S105-L109 PolarHBondContact O-N 3.25Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 2.84Å; L109-L112 PolarHBondContact O-N 3.21Å; L109-L113 HydrophobicContact CD1-CD1 4.15Å; L109-L113 HydrophobicContact CD1-CD2 4.38Å; L109-L113 HydrophobicContact CD1-CG 3.97Å; L109-L113 HydrophobicContact CG-CD1 4.22Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.24Å; L109-F132 HydrophobicContact CB-CD2 4.3Å; L109-F132 HydrophobicContact CB-CE2 4.05Å; L109-F132 HydrophobicContact CD1-CD2 4.49Å
110	P	98.9	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-37.6	176.3	-25.8	37.2	0	0	0	113.8	W69 N85 V89 G106 A114 A213	W69-P110 HydrophobicContact CH2-CB 4.38Å; W69-P110 HydrophobicContact CH2-CG 3.77Å; W69-P110 HydrophobicContact CZ2-CB 4.28Å; W69-P110 HydrophobicContact CZ2-CG 4.15Å; N85-P110 HydrophobicContact CB-CB 3.94Å; N85-P110 HydrophobicContact CB-CG 4.43Å; V89-P110 HydrophobicContact CG2-CG 4.37Å; G106-P110 WeakPolarHBondContact O-CD 3.25Å; G106-P110 VanDerWaalsContact O-CG 3.25Å; G106-P110 WeakPolarHBondContact O-CG 3.36Å; P110-A114 VanDerWaalsContact O-CB 3.23Å; P110-A114 WeakPolarHBondContact O-CB 3.33Å; P110-A114 PolarHBondContact O-N 2.99Å; P110-A213 HydrophobicContact CB-CB 4.33Å
111	A	98.9	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-45.5	178.5	0	0	0	0	0	111.2	V108 L109 L115 S167 A213 L217	V108-A111 PolarHBondContact O-N 2.79Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 2.84Å; A111-L115 WeakPolarHBondContact O-CB 3.39Å; A111-L115 PolarHBondContact O-N 3.26Å; A111-S167 WeakPolarHBondContact CB-OG 3.32Å; A111-A213 HydrophobicContact CB-CB 4.32Å; A111-L217 HydrophobicContact CB-CB 4.3Å
112	L	98.8	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-46.8	178.8	-70.9	176	0	0	0	112.7	V108 L109 A114 L115 A116 L128 A131 F132 A170 L174	V108-L112 HydrophobicContact CG1-CD1 3.64Å; V108-L112 HydrophobicContact CG1-CG 4.18Å; V108-L112 WeakPolarHBondContact O-CG 3.29Å; V108-L112 PolarHBondContact O-N 3.2Å; L109-L112 PolarHBondContact O-N 3.21Å; L112-A114 PolarHBondContact O-N 3Å; L112-L115 PolarHBondContact O-N 2.85Å; L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.33Å; L112-A116 PolarHBondContact O-N 2.78Å; L112-L128 HydrophobicContact CB-CD1 3.57Å; L112-L128 HydrophobicContact CD1-CD1 3.99Å; L112-L128 HydrophobicContact CG-CD1 4.32Å; L112-A131 HydrophobicContact CD1-CB 4.1Å; L112-A131 HydrophobicContact CD2-CB 3.69Å; L112-F132 VanDerWaalsContact CD1-CA 3.49Å; L112-F132 HydrophobicContact CD1-CB 3.82Å; L112-F132 HydrophobicContact CD1-CD2 4.44Å; L112-A170 HydrophobicContact CD1-CB 4.16Å; L112-A170 HydrophobicContact CD2-CB 3.85Å; L112-A170 HydrophobicContact CG-CB 4.07Å; L112-L174 HydrophobicContact CD2-CB 4.02Å; L112-L174 HydrophobicContact CD2-CD2 3.89Å; L112-L174 HydrophobicContact CD2-CG 4.5Å
113	L	98.3	Very high	96.9	Very high	15 Å²	15	21.7 Å²	21.7	8%	0.079	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-41.4	179.1	-66.7	-171.6	0	0	0	111.5	L38 W69 L109 E117 L128 L454 L458	L38-L113 HydrophobicContact CD2-CD1 4.13Å; W69-L113 HydrophobicContact CZ2-CD1 3.85Å; L109-L113 HydrophobicContact CD1-CD1 4.15Å; L109-L113 HydrophobicContact CD1-CD2 4.38Å; L109-L113 HydrophobicContact CD1-CG 3.97Å; L109-L113 HydrophobicContact CG-CD1 4.22Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.24Å; L113-E117 PolarHBondContact O-N 3.37Å; L113-L128 HydrophobicContact CD2-CD1 4.28Å; L113-L128 HydrophobicContact CD2-CD2 3.63Å; L113-L454 HydrophobicContact CD1-CD2 4.19Å; L113-L454 HydrophobicContact CD2-CD2 4.03Å; L113-L458 HydrophobicContact CD1-CD1 4.08Å
114	A	98.1	Very high	96.8	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-43.6	175.7	0	0	0	0	0	111.7	S66 P78 A81 A82 P110 L112	S66-A114 PolarHBondContact OG-O 2.91Å; P78-A114 HydrophobicContact CB-CB 4.38Å; P78-A114 WeakPolarHBondContact O-CB 3.39Å; A81-A114 HydrophobicContact CB-CB 4.13Å; A82-A114 HydrophobicContact CB-CB 4.12Å; P110-A114 VanDerWaalsContact O-CB 3.23Å; P110-A114 WeakPolarHBondContact O-CB 3.33Å; P110-A114 PolarHBondContact O-N 2.99Å; L112-A114 PolarHBondContact O-N 3Å
115	L	98.1	Very high	96.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-47.1	178.2	175.4	56.8	0	0	0	112.2	A111 L112 E117 T118 L119 L174 L175 L217 R221	A111-L115 WeakPolarHBondContact O-CB 3.39Å; A111-L115 PolarHBondContact O-N 3.26Å; L112-L115 PolarHBondContact O-N 2.85Å; L115-E117 PolarHBondContact O-N 3.36Å; L115-T118 WeakPolarHBondContact O-CA 3.46Å; L115-T118 PolarHBondContact O-N 2.73Å; L115-T118 PolarHBondContact O-OG1 3.48Å; L115-L119 HydrophobicContact CD1-CD2 3.99Å; L115-L119 HydrophobicContact CG-CD2 4.38Å; L115-L119 PolarHBondContact O-N 3.26Å; L115-L174 HydrophobicContact CB-CD2 4.42Å; L115-L174 HydrophobicContact CD2-CB 4.13Å; L115-L174 HydrophobicContact CD2-CD2 3.94Å; L115-L174 HydrophobicContact CD2-CG 4.42Å; L115-L174 HydrophobicContact CG-CD2 4.07Å; L115-L175 HydrophobicContact CD1-CD2 3.96Å; L115-L175 HydrophobicContact CD1-CG 4.41Å; L115-L175 HydrophobicContact CD2-CD1 4.46Å; L115-L175 HydrophobicContact CD2-CD2 4.37Å; L115-L175 HydrophobicContact CD2-CG 3.98Å; L115-L217 HydrophobicContact CB-CD1 3.78Å; L115-L217 HydrophobicContact CD1-CD1 4.02Å; L115-L217 HydrophobicContact CD2-CD1 3.86Å; L115-L217 HydrophobicContact CG-CD1 4.09Å; L115-R221 VanDerWaalsContact CD1-NH2 3.3Å
116	A	97.3	Very high	96.7	Very high	2 Å²	2	25 Å²	25	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-57.1	-36.1	-175.9	0	0	0	0	0	113	L112 T118 L119 P123 L174	L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.33Å; L112-A116 PolarHBondContact O-N 2.78Å; A116-T118 PolarHBondContact O-N 3.17Å; A116-L119 PolarHBondContact O-N 2.84Å; A116-P123 HydrophobicContact CB-CG 3.67Å; A116-L174 HydrophobicContact CB-CD2 4.24Å
117	E	95.4	Very high	96.7	Very high	40 Å²	40	28.5 Å²	28.5	19%	0.187	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.5	176.3	-70.2	179.2	147.4	0	0	113.5	S66 S67 L113 L115 R122 R459	S66-E117 WeakPolarHBondContact CA-OE2 3.27Å; S66-E117 WeakPolarHBondContact CB-OE2 3.45Å; S67-E117 WeakPolarHBondContact CB-OE1 3.48Å; S67-E117 PolarHBondContact N-OE2 2.93Å; S67-E117 PolarHBondContact OG-OE1 3.44Å; S67-E117 PolarHBondContact OG-OE2 3.18Å; L113-E117 PolarHBondContact O-N 3.37Å; L115-E117 PolarHBondContact O-N 3.36Å; E117-R122 PolarHBondContact O-NH2 2.97Å; E117-R459 IonicContact OE1-NH1 3.87Å; E117-R459 PolarHBondContact OE1-NH1 3.19Å
118	T	94.7	Very high	96.7	Very high	14 Å²	14	28.5 Å²	28.5	9%	0.086	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.9	-178.8	70.9	0	0	0	0	114.3	H64 P78 L115 A116 R221	H64-T118 HydrophobicContact CB-CG2 3.95Å; P78-T118 HydrophobicContact CB-CG2 3.87Å; P78-T118 HydrophobicContact CG-CG2 3.96Å; L115-T118 WeakPolarHBondContact O-CA 3.46Å; L115-T118 PolarHBondContact O-N 2.73Å; L115-T118 PolarHBondContact O-OG1 3.48Å; A116-T118 PolarHBondContact O-N 3.17Å; T118-R221 PolarHBondContact OG1-NH2 2.98Å
119	L	94.9	Very high	96.7	Very high	22 Å²	22	28.5 Å²	28.5	12%	0.115	16%	0.162	C	C	.	.	S	Bend	trans	-72.8	148.5	-178	-63.9	-179.5	0	0	0	111.1	L115 A116 S121 R122 P123 L174 L175	L115-L119 HydrophobicContact CD1-CD2 3.99Å; L115-L119 HydrophobicContact CG-CD2 4.38Å; L115-L119 PolarHBondContact O-N 3.26Å; A116-L119 PolarHBondContact O-N 2.84Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 WeakPolarHBondContact CB-O 3.42Å; L119-S121 PolarHBondContact O-N 2.81Å; L119-R122 PolarHBondContact O-NH1 2.87Å; L119-P123 HydrophobicContact CD1-CG 4.27Å; L119-L174 HydrophobicContact CD1-CD2 4.13Å; L119-L174 HydrophobicContact CD1-CG 3.99Å; L119-L175 HydrophobicContact CD2-CD2 3.9Å
120	P	89.8	Confident	96.7	Very high	136 Å²	136	29 Å²	29	88%	0.883	16%	0.164	S	C	*	.	S	Bend	trans	-60.4	-42.8	176.1	-24.8	34.6	0	0	0	112.7
121	S	91.1	Very high	96.7	Very high	97 Å²	97	29 Å²	29	68%	0.678	16%	0.164	S	C	*	.	S	Bend	trans	-107.3	133	173	-56.4	0	0	0	0	109.3	L119	L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 WeakPolarHBondContact CB-O 3.42Å; L119-S121 PolarHBondContact O-N 2.81Å
122	R	91.3	Very high	96.7	Very high	102 Å²	102	29 Å²	29	39%	0.385	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-70.9	128.8	178.1	-64.2	-65.3	177.7	-95.7	5.9	109.3	E117 L119 E450	E117-R122 PolarHBondContact O-NH2 2.97Å; L119-R122 PolarHBondContact O-NH1 2.87Å; R122-E450 HydrophobicContact CB-CB 4.22Å; R122-E450 HydrophobicContact CB-CG 4.17Å
123	P	96.3	Very high	96.7	Very high	10 Å²	10	29 Å²	29	7%	0.065	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-70.8	151.6	178.1	27.3	-29.6	0	0	0	110.4	A116 L119 D127 L174 C451	A116-P123 HydrophobicContact CB-CG 3.67Å; L119-P123 HydrophobicContact CD1-CG 4.27Å; P123-D127 HydrophobicContact CB-CB 3.86Å; P123-L174 HydrophobicContact CB-CD1 3.81Å; P123-L174 HydrophobicContact CG-CD1 4.04Å; P123-L174 HydrophobicContact CG-CD2 4.46Å; P123-C451 PolarHBondContact O-N 2.95Å
124	S	97.9	Very high	96.7	Very high	27 Å²	27	28.4 Å²	28.4	19%	0.189	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-70.1	165.7	171.6	69.5	0	0	0	0	111	L126 D127 L128 P449	S124-L126 PolarHBondContact O-N 3.12Å; S124-L126 PolarHBondContact OG-N 3.42Å; S124-D127 WeakPolarHBondContact CB-OD2 3.27Å; S124-D127 PolarHBondContact N-OD2 2.72Å; S124-D127 PolarHBondContact O-N 3.41Å; S124-D127 PolarHBondContact OG-N 3.2Å; S124-D127 VanDerWaalsContact OG-N 3.1Å; S124-D127 PolarHBondContact OG-OD2 2.95Å; S124-L128 PolarHBondContact O-N 3.37Å; S124-P449 VanDerWaalsContact CA-O 3.3Å; S124-P449 WeakPolarHBondContact CA-O 3.49Å; S124-P449 WeakPolarHBondContact CB-O 3.48Å
125	G	98	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-27.9	171.9	0	0	0	0	0	112.8	L128 L129 I445 V448	G125-L128 PolarHBondContact O-N 3.44Å; G125-L129 WeakPolarHBondContact O-CB 2.96Å; G125-L129 WeakPolarHBondContact O-CG 3.37Å; G125-L129 PolarHBondContact O-N 2.79Å; G125-I445 CarbonylContact C-O 3.53Å; G125-I445 WeakPolarHBondContact CA-O 3.36Å; G125-V448 PolarHBondContact N-O 3.11Å
126	L	97.8	Very high	96.8	Very high	56 Å²	56	28.3 Å²	28.3	29%	0.293	16%	0.16	S	C	.	.	H	α-helix	trans	-70	-39.1	173.6	-170.1	61.1	0	0	0	112.3	A19 L22 S124 L128 L129 L130 E446	A19-L126 HydrophobicContact CB-CD1 4.38Å; A19-L126 HydrophobicContact CB-CD2 3.76Å; A19-L126 HydrophobicContact CB-CG 3.9Å; L22-L126 HydrophobicContact CD1-CD1 3.84Å; S124-L126 PolarHBondContact O-N 3.12Å; S124-L126 PolarHBondContact OG-N 3.42Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 PolarHBondContact O-N 3.35Å; L126-L129 PolarHBondContact O-N 3.01Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 PolarHBondContact O-N 2.63Å; L126-E446 HydrophobicContact CD1-CB 4.34Å
127	D	98.4	Very high	96.8	Very high	74 Å²	74	28.3 Å²	28.3	40%	0.396	16%	0.16	S	C	.	.	H	α-helix	trans	-62.6	-41.3	172.8	-62.2	-49	0	0	0	111	P123 S124 L130 A131 L174	P123-D127 HydrophobicContact CB-CB 3.86Å; S124-D127 WeakPolarHBondContact CB-OD2 3.27Å; S124-D127 PolarHBondContact N-OD2 2.72Å; S124-D127 PolarHBondContact O-N 3.41Å; S124-D127 PolarHBondContact OG-N 3.2Å; S124-D127 VanDerWaalsContact OG-N 3.1Å; S124-D127 PolarHBondContact OG-OD2 2.95Å; D127-L130 PolarHBondContact O-N 3.16Å; D127-A131 WeakPolarHBondContact O-CB 3.43Å; D127-A131 PolarHBondContact O-N 3.33Å; D127-L174 HydrophobicContact CB-CD1 4.4Å
128	L	98.4	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-44.5	176.7	-175.4	62.7	0	0	0	111.6	M34 L112 L113 S124 G125 L126 A131 F132 I445 C451	M34-L128 HydrophobicContact CE-CD2 3.98Å; M34-L128 HydrophobicContact CE-CG 4.21Å; L112-L128 HydrophobicContact CB-CD1 3.57Å; L112-L128 HydrophobicContact CD1-CD1 3.99Å; L112-L128 HydrophobicContact CG-CD1 4.32Å; L113-L128 HydrophobicContact CD2-CD1 4.28Å; L113-L128 HydrophobicContact CD2-CD2 3.63Å; S124-L128 PolarHBondContact O-N 3.37Å; G125-L128 PolarHBondContact O-N 3.44Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 PolarHBondContact O-N 3.35Å; L128-A131 PolarHBondContact O-N 3.34Å; L128-F132 VanDerWaalsContact O-CB 3.22Å; L128-F132 WeakPolarHBondContact O-CB 3.47Å; L128-F132 PolarHBondContact O-N 3.22Å; L128-I445 HydrophobicContact CD2-CD1 4.11Å; L128-C451 HydrophobicContact CD2-CB 3.96Å
129	L	98.6	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-44.1	174.2	-85.5	176.2	0	0	0	112.1	L22 I27 M34 G125 L126 F132 N133 I445 E446	L22-L129 HydrophobicContact CD1-CB 4.28Å; I27-L129 HydrophobicContact CG1-CD1 4.47Å; I27-L129 HydrophobicContact CG2-CD1 4.13Å; M34-L129 HydrophobicContact SD-CD2 3.94Å; G125-L129 WeakPolarHBondContact O-CB 2.96Å; G125-L129 WeakPolarHBondContact O-CG 3.37Å; G125-L129 PolarHBondContact O-N 2.79Å; L126-L129 PolarHBondContact O-N 3.01Å; L129-F132 PolarHBondContact O-N 3.46Å; L129-N133 WeakPolarHBondContact O-CB 3.42Å; L129-N133 PolarHBondContact O-N 3.13Å; L129-N133 PolarHBondContact O-ND2 3.45Å; L129-I445 HydrophobicContact CD1-CG2 3.54Å; L129-I445 HydrophobicContact CD2-CG2 3.84Å; L129-I445 HydrophobicContact CG-CG2 3.65Å; L129-E446 HydrophobicContact CD1-CB 3.84Å
130	L	98.8	Very high	97.4	Very high	11 Å²	11	24.8 Å²	24.8	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-50.7	178.7	176.9	60.4	0	0	0	110.9	G18 L22 L126 D127 F132 N133 V134	G18-L130 WeakPolarHBondContact O-CD1 3.43Å; L22-L130 HydrophobicContact CD1-CB 4.13Å; L22-L130 HydrophobicContact CD2-CD1 4.33Å; L22-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 PolarHBondContact O-N 2.63Å; D127-L130 PolarHBondContact O-N 3.16Å; L130-F132 VanDerWaalsContact C-N 3.3Å; L130-F132 PolarHBondContact O-N 3.39Å; L130-N133 PolarHBondContact O-N 2.81Å; L130-V134 HydrophobicContact CD1-CG2 4.34Å; L130-V134 WeakPolarHBondContact O-CG2 3.26Å; L130-V134 PolarHBondContact O-N 3.5Å
131	A	98.9	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-39.3	178.7	0	0	0	0	0	112	L112 D127 L128 V134 G135 A170 K173 L174	L112-A131 HydrophobicContact CD1-CB 4.1Å; L112-A131 HydrophobicContact CD2-CB 3.69Å; D127-A131 WeakPolarHBondContact O-CB 3.43Å; D127-A131 PolarHBondContact O-N 3.33Å; L128-A131 PolarHBondContact O-N 3.34Å; A131-V134 PolarHBondContact O-N 3.3Å; A131-G135 PolarHBondContact O-N 3.31Å; A131-G135 VanDerWaalsContact O-N 3.12Å; A131-A170 WeakPolarHBondContact O-CA 3.38Å; A131-A170 VanDerWaalsContact O-CB 3.23Å; A131-A170 WeakPolarHBondContact O-CB 3.25Å; A131-K173 HydrophobicContact CB-CB 4.3Å; A131-K173 HydrophobicContact CB-CG 4.15Å; A131-L174 HydrophobicContact CB-CB 4.03Å; A131-L174 HydrophobicContact CB-CD1 4.24Å
132	F	98.9	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.4	-53.4	174.3	-179.8	-95.4	0	0	0	110.7	M33 M34 S105 V108 L109 L112 L128 L129 L130 V134 G135 I136	M33-F132 HydrophobicContact CB-CE1 4.23Å; M33-F132 HydrophobicContact CB-CZ 4Å; M33-F132 HydrophobicContact CE-CE1 4.03Å; M33-F132 HydrophobicContact CE-CZ 4Å; M33-F132 HydrophobicContact SD-CE1 4.33Å; M34-F132 HydrophobicContact CG-CD1 4.45Å; M34-F132 HydrophobicContact CG-CD2 4.29Å; M34-F132 HydrophobicContact CG-CE1 4.26Å; M34-F132 HydrophobicContact CG-CE2 4.11Å; M34-F132 HydrophobicContact CG-CG 4.45Å; M34-F132 HydrophobicContact CG-CZ 4.08Å; M34-F132 HydrophobicContact SD-CG 4.45Å; S105-F132 WeakPolarHBondContact OG-CZ 3.42Å; V108-F132 HydrophobicContact CB-CD2 4.24Å; V108-F132 HydrophobicContact CB-CE2 4.35Å; V108-F132 HydrophobicContact CG1-CB 4.49Å; V108-F132 HydrophobicContact CG1-CD2 3.7Å; V108-F132 HydrophobicContact CG1-CE2 4.3Å; V108-F132 HydrophobicContact CG1-CG 4.34Å; L109-F132 HydrophobicContact CB-CD2 4.3Å; L109-F132 HydrophobicContact CB-CE2 4.05Å; L109-F132 HydrophobicContact CD1-CD2 4.49Å; L112-F132 VanDerWaalsContact CD1-CA 3.49Å; L112-F132 HydrophobicContact CD1-CB 3.82Å; L112-F132 HydrophobicContact CD1-CD2 4.44Å; L128-F132 VanDerWaalsContact O-CB 3.22Å; L128-F132 WeakPolarHBondContact O-CB 3.47Å; L128-F132 PolarHBondContact O-N 3.22Å; L129-F132 PolarHBondContact O-N 3.46Å; L130-F132 VanDerWaalsContact C-N 3.3Å; L130-F132 PolarHBondContact O-N 3.39Å; F132-V134 PolarHBondContact O-N 3.1Å; F132-G135 WeakPolarHBondContact O-CA 3.14Å; F132-G135 PolarHBondContact O-N 2.85Å; F132-I136 HydrophobicContact CD1-CG1 3.99Å; F132-I136 HydrophobicContact CE1-CD1 4.06Å; F132-I136 HydrophobicContact CE1-CG1 3.67Å; F132-I136 HydrophobicContact CE2-CD1 4.25Å; F132-I136 HydrophobicContact CZ-CD1 3.83Å; F132-I136 HydrophobicContact CZ-CG1 3.97Å; F132-I136 WeakPolarHBondContact O-CG1 3.22Å; F132-I136 PolarHBondContact O-N 3.12Å
133	N	98.9	Very high	98.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-64.1	-36.3	-179	-80.3	-64	0	0	0	113.6	L22 V26 S30 L129 L130 G135 I136 E137 W262	L22-N133 HydrophobicContact CD2-CB 4.04Å; V26-N133 HydrophobicContact CG1-CB 4.24Å; V26-N133 WeakPolarHBondContact CG1-OD1 3.32Å; S30-N133 PolarHBondContact OG-ND2 2.95Å; S30-N133 PolarHBondContact OG-OD1 3.34Å; L129-N133 WeakPolarHBondContact O-CB 3.42Å; L129-N133 PolarHBondContact O-N 3.13Å; L129-N133 PolarHBondContact O-ND2 3.45Å; L130-N133 PolarHBondContact O-N 2.81Å; N133-G135 VanDerWaalsContact C-N 3.29Å; N133-G135 PolarHBondContact O-N 2.92Å; N133-I136 PolarHBondContact O-N 3.43Å; N133-E137 WeakPolarHBondContact O-CB 3.48Å; N133-E137 PolarHBondContact O-N 3.34Å; N133-W262 HydrophobicContact CB-CE3 4.24Å; N133-W262 HydrophobicContact CB-CH2 4.04Å; N133-W262 HydrophobicContact CB-CZ3 3.81Å; N133-W262 WeakPolarHBondContact O-CZ3 3.44Å
134	V	98.9	Very high	98.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-42	172	169.4	0	0	0	0	111.1	I14 L17 L130 A131 F132 E137 V138 A169 K173 W262	I14-V134 HydrophobicContact CB-CG1 4.28Å; I14-V134 HydrophobicContact CG1-CG1 3.98Å; I14-V134 HydrophobicContact CG2-CG1 4.06Å; L17-V134 HydrophobicContact CB-CG2 4.12Å; L17-V134 HydrophobicContact CD1-CG2 3.96Å; L130-V134 HydrophobicContact CD1-CG2 4.34Å; L130-V134 WeakPolarHBondContact O-CG2 3.26Å; L130-V134 PolarHBondContact O-N 3.5Å; A131-V134 PolarHBondContact O-N 3.3Å; F132-V134 PolarHBondContact O-N 3.1Å; V134-E137 PolarHBondContact O-N 3.29Å; V134-V138 WeakPolarHBondContact O-CG2 3.36Å; V134-V138 PolarHBondContact O-N 3.11Å; V134-A169 HydrophobicContact CG1-CB 4.28Å; V134-K173 HydrophobicContact CB-CB 4.4Å; V134-K173 HydrophobicContact CB-CG 4.4Å; V134-K173 HydrophobicContact CG1-CB 4.2Å; V134-K173 HydrophobicContact CG2-CD 4.26Å; V134-K173 HydrophobicContact CG2-CG 4.12Å; V134-W262 HydrophobicContact CG2-CH2 4.09Å
135	G	98.9	Very high	98.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.3	-40.7	175	0	0	0	0	0	114	A131 F132 N133 Q139 G166	A131-G135 PolarHBondContact O-N 3.31Å; A131-G135 VanDerWaalsContact O-N 3.12Å; F132-G135 WeakPolarHBondContact O-CA 3.14Å; F132-G135 PolarHBondContact O-N 2.85Å; N133-G135 VanDerWaalsContact C-N 3.29Å; N133-G135 PolarHBondContact O-N 2.92Å; G135-Q139 VanDerWaalsContact O-CG 3.31Å; G135-Q139 WeakPolarHBondContact O-CG 3.41Å; G135-Q139 PolarHBondContact O-N 3.33Å; G135-Q139 PolarHBondContact O-NE2 2.86Å; G135-G166 VanDerWaalsContact CA-O 3.31Å; G135-G166 WeakPolarHBondContact CA-O 3.25Å; G135-G166 WeakPolarHBondContact O-CA 3.08Å
136	I	98.9	Very high	98.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-66.7	-43.9	176.1	-58.5	-58.7	0	0	0	110.7	M33 W98 P104 V108 F132 N133 Q139 G140	M33-I136 HydrophobicContact CE-CD1 3.62Å; M33-I136 HydrophobicContact CE-CG1 3.92Å; M33-I136 HydrophobicContact CE-CG2 4.13Å; W98-I136 HydrophobicContact CE3-CG2 4.42Å; W98-I136 HydrophobicContact CH2-CG2 3.61Å; W98-I136 HydrophobicContact CZ2-CG2 4.07Å; W98-I136 HydrophobicContact CZ3-CG2 3.79Å; W98-I136 WeakPolarHBondContact CZ3-O 3.43Å; P104-I136 HydrophobicContact CB-CD1 3.76Å; P104-I136 HydrophobicContact CG-CD1 4.33Å; V108-I136 HydrophobicContact CG2-CD1 4.38Å; F132-I136 HydrophobicContact CD1-CG1 3.99Å; F132-I136 HydrophobicContact CE1-CD1 4.06Å; F132-I136 HydrophobicContact CE1-CG1 3.67Å; F132-I136 HydrophobicContact CE2-CD1 4.25Å; F132-I136 HydrophobicContact CZ-CD1 3.83Å; F132-I136 HydrophobicContact CZ-CG1 3.97Å; F132-I136 WeakPolarHBondContact O-CG1 3.22Å; F132-I136 PolarHBondContact O-N 3.12Å; N133-I136 PolarHBondContact O-N 3.43Å; I136-Q139 WeakPolarHBondContact O-CB 3.46Å; I136-Q139 PolarHBondContact O-N 3.14Å; I136-G140 PolarHBondContact O-N 2.87Å
137	E	98.8	Very high	98.6	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-47.5	-179.3	-179.3	64.9	-169.8	0	0	111.9	N133 V134 Q139 G140 R141 M252 F260 W262 I263	N133-E137 WeakPolarHBondContact O-CB 3.48Å; N133-E137 PolarHBondContact O-N 3.34Å; V134-E137 PolarHBondContact O-N 3.29Å; E137-Q139 VanDerWaalsContact C-N 3.29Å; E137-Q139 PolarHBondContact O-N 3.39Å; E137-G140 PolarHBondContact O-N 3.35Å; E137-G140 VanDerWaalsContact O-N 3.15Å; E137-R141 HydrophobicContact CG-CG 4.39Å; E137-R141 VanDerWaalsContact O-CG 3.24Å; E137-R141 WeakPolarHBondContact O-CG 3.39Å; E137-R141 PolarHBondContact O-N 3.23Å; E137-R141 IonicContact OE1-CZ 2.67Å; E137-R141 IonicContact OE1-NE 2.73Å; E137-R141 PolarHBondContact OE1-NE 3.28Å; E137-R141 IonicContact OE1-NH2 2.81Å; E137-R141 PolarHBondContact OE1-NH2 2.81Å; E137-M252 HydrophobicContact CG-CE 4.12Å; E137-F260 HydrophobicContact CG-CZ 4.02Å; E137-W262 HydrophobicContact CB-CE3 3.75Å; E137-W262 HydrophobicContact CB-CZ3 3.67Å; E137-W262 HydrophobicContact CG-CE3 3.93Å; E137-W262 HydrophobicContact CG-CZ3 4.03Å; E137-I263 PolarHBondContact OE2-N 3.44Å
138	V	98.9	Very high	98.4	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-58.6	-43.6	176.5	167.6	0	0	0	0	110.6	F10 I14 V134 G140 R141 L142 M165 A169 L186	F10-V138 HydrophobicContact CD1-CG1 4.22Å; F10-V138 HydrophobicContact CD1-CG2 4.2Å; F10-V138 HydrophobicContact CE1-CG1 4.28Å; I14-V138 HydrophobicContact CD1-CG2 4.06Å; I14-V138 HydrophobicContact CG1-CG2 3.97Å; V134-V138 WeakPolarHBondContact O-CG2 3.36Å; V134-V138 PolarHBondContact O-N 3.11Å; V138-G140 PolarHBondContact O-N 2.96Å; V138-R141 PolarHBondContact O-N 3.36Å; V138-L142 HydrophobicContact CG1-CD1 3.84Å; V138-L142 HydrophobicContact CG1-CG 4.29Å; V138-L142 WeakPolarHBondContact O-CB 3.45Å; V138-L142 WeakPolarHBondContact O-CG 3.09Å; V138-L142 PolarHBondContact O-N 2.9Å; V138-M165 HydrophobicContact CG1-CB 4.28Å; V138-A169 HydrophobicContact CB-CB 3.95Å; V138-A169 HydrophobicContact CG1-CB 4.12Å; V138-A169 HydrophobicContact CG2-CB 3.64Å; V138-L186 HydrophobicContact CG1-CD2 4.31Å
139	Q	98.9	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.6	-49.7	175	-74.3	178.8	77.4	0	0	112.2	P104 G135 I136 E137 R141 L142 M143 V162	P104-Q139 PolarHBondContact O-NE2 3.35Å; G135-Q139 VanDerWaalsContact O-CG 3.31Å; G135-Q139 WeakPolarHBondContact O-CG 3.41Å; G135-Q139 PolarHBondContact O-N 3.33Å; G135-Q139 PolarHBondContact O-NE2 2.86Å; I136-Q139 WeakPolarHBondContact O-CB 3.46Å; I136-Q139 PolarHBondContact O-N 3.14Å; E137-Q139 VanDerWaalsContact C-N 3.29Å; E137-Q139 PolarHBondContact O-N 3.39Å; Q139-R141 VanDerWaalsContact C-N 3.34Å; Q139-R141 PolarHBondContact O-N 2.83Å; Q139-L142 PolarHBondContact O-N 3.09Å; Q139-M143 WeakPolarHBondContact O-CB 3.44Å; Q139-M143 VanDerWaalsContact O-CG 3.28Å; Q139-M143 WeakPolarHBondContact O-CG 3.44Å; Q139-M143 PolarHBondContact O-N 3.31Å; Q139-V162 HydrophobicContact CB-CB 4.26Å; Q139-V162 HydrophobicContact CB-CG2 4.27Å; Q139-V162 HydrophobicContact CG-CB 4.13Å; Q139-V162 HydrophobicContact CG-CG2 4.25Å; Q139-V162 WeakPolarHBondContact CG-O 3.35Å
140	G	98.7	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-38.6	-177.1	0	0	0	0	0	112.7	I136 E137 V138 R144	I136-G140 PolarHBondContact O-N 2.87Å; E137-G140 PolarHBondContact O-N 3.35Å; E137-G140 VanDerWaalsContact O-N 3.15Å; V138-G140 PolarHBondContact O-N 2.96Å; G140-R144 WeakPolarHBondContact O-CD 3.35Å; G140-R144 VanDerWaalsContact O-CG 3.27Å; G140-R144 WeakPolarHBondContact O-CG 3.03Å; G140-R144 PolarHBondContact O-N 3.5Å; G140-R144 PolarHBondContact O-NH1 3.29Å
141	R	98.5	Very high	98.1	Very high	52 Å²	52	25.6 Å²	25.6	20%	0.196	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-46.2	178.2	-65.8	-77.3	176.1	-164.3	-3.9	111.1	F10 E137 V138 Q139 M143 R144 F145 M252 R261 I263	F10-R141 HydrophobicContact CE1-CB 3.94Å; F10-R141 HydrophobicContact CZ-CB 3.68Å; E137-R141 HydrophobicContact CG-CG 4.39Å; E137-R141 VanDerWaalsContact O-CG 3.24Å; E137-R141 WeakPolarHBondContact O-CG 3.39Å; E137-R141 PolarHBondContact O-N 3.23Å; E137-R141 IonicContact OE1-CZ 2.67Å; E137-R141 IonicContact OE1-NE 2.73Å; E137-R141 PolarHBondContact OE1-NE 3.28Å; E137-R141 IonicContact OE1-NH2 2.81Å; E137-R141 PolarHBondContact OE1-NH2 2.81Å; V138-R141 PolarHBondContact O-N 3.36Å; Q139-R141 VanDerWaalsContact C-N 3.34Å; Q139-R141 PolarHBondContact O-N 2.83Å; R141-M143 VanDerWaalsContact C-N 3.34Å; R141-M143 PolarHBondContact O-N 3.21Å; R141-R144 WeakPolarHBondContact O-CB 3.42Å; R141-R144 PolarHBondContact O-N 2.65Å; R141-F145 VanDerWaalsContact O-CD1 3.32Å; R141-F145 WeakPolarHBondContact O-CD1 3.46Å; R141-M252 HydrophobicContact CB-SD 4.19Å; R141-M252 HydrophobicContact CG-CE 4.4Å; R141-M252 HydrophobicContact CG-SD 3.69Å; R141-R261 PolarHBondContact NH2-O 2.78Å; R141-I263 HydrophobicContact CB-CD1 4.4Å; R141-I263 HydrophobicContact CG-CD1 3.65Å
142	L	98.8	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-39.3	178.3	-66.6	179	0	0	0	112.3	F10 V138 Q139 R144 F145 V162 M165 L234 L240 Y244	F10-L142 HydrophobicContact CD1-CD2 4.46Å; F10-L142 HydrophobicContact CE1-CD2 3.73Å; F10-L142 HydrophobicContact CE1-CG 3.97Å; F10-L142 HydrophobicContact CZ-CD2 3.89Å; F10-L142 HydrophobicContact CZ-CG 4.44Å; V138-L142 HydrophobicContact CG1-CD1 3.84Å; V138-L142 HydrophobicContact CG1-CG 4.29Å; V138-L142 WeakPolarHBondContact O-CB 3.45Å; V138-L142 WeakPolarHBondContact O-CG 3.09Å; V138-L142 PolarHBondContact O-N 2.9Å; Q139-L142 PolarHBondContact O-N 3.09Å; L142-R144 PolarHBondContact O-N 3.12Å; L142-F145 HydrophobicContact CD2-CD2 3.93Å; L142-F145 HydrophobicContact CD2-CE2 3.46Å; L142-F145 VanDerWaalsContact CD2-CE2 3.46Å; L142-F145 HydrophobicContact CD2-CZ 4.06Å; L142-F145 VanDerWaalsContact O-CB 3.29Å; L142-F145 WeakPolarHBondContact O-CB 3.5Å; L142-F145 PolarHBondContact O-N 3.14Å; L142-F145 VanDerWaalsContact O-N 3.09Å; L142-V162 HydrophobicContact CB-CG1 3.78Å; L142-M165 HydrophobicContact CD1-CB 3.47Å; L142-M165 VanDerWaalsContact CD1-CB 3.47Å; L142-M165 HydrophobicContact CD1-CE 4.27Å; L142-M165 HydrophobicContact CD1-CG 3.66Å; L142-L234 HydrophobicContact CD2-CD1 3.99Å; L142-L234 HydrophobicContact CD2-CD2 3.95Å; L142-L240 HydrophobicContact CD1-CD2 4.11Å; L142-L240 HydrophobicContact CD2-CD2 3.81Å; L142-L240 HydrophobicContact CG-CD2 4.38Å; L142-Y244 PolarHBondContact O-OH 3.4Å
143	M	98.6	Very high	97.5	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-26.2	174.2	-73.6	-64.5	-79	0	0	112.7	P100 A101 Q139 R141 F145 A149 P158 V162	P100-M143 HydrophobicContact CB-CB 3.98Å; P100-M143 HydrophobicContact CB-CE 3.97Å; P100-M143 HydrophobicContact CG-CB 3.96Å; A101-M143 WeakPolarHBondContact O-CE 3.3Å; Q139-M143 WeakPolarHBondContact O-CB 3.44Å; Q139-M143 VanDerWaalsContact O-CG 3.28Å; Q139-M143 WeakPolarHBondContact O-CG 3.44Å; Q139-M143 PolarHBondContact O-N 3.31Å; R141-M143 VanDerWaalsContact C-N 3.34Å; R141-M143 PolarHBondContact O-N 3.21Å; M143-F145 PolarHBondContact O-N 2.89Å; M143-A149 HydrophobicContact CB-CB 4.49Å; M143-A149 HydrophobicContact CE-CB 3.75Å; M143-A149 WeakPolarHBondContact O-CB 3.28Å; M143-A149 HydrophobicContact SD-CB 4.23Å; M143-P158 HydrophobicContact CE-CB 3.81Å; M143-P158 HydrophobicContact CE-CG 4.25Å; M143-P158 HydrophobicContact SD-CB 3.96Å; M143-V162 HydrophobicContact CG-CB 4.31Å; M143-V162 HydrophobicContact CG-CG1 3.89Å; M143-V162 HydrophobicContact CG-CG2 3.81Å; M143-V162 HydrophobicContact SD-CB 4.39Å; M143-V162 HydrophobicContact SD-CG1 3.77Å; M143-V162 HydrophobicContact SD-CG2 3.73Å
144	R	98.3	Very high	97.1	Very high	69 Å²	69	32.3 Å²	32.3	26%	0.26	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.5	178.7	-69.6	170.6	169.5	66	3.9	113.2	H99 P100 G140 R141 L142 S146 I263	H99-R144 PolarHBondContact O-NH2 3.17Å; P100-R144 HydrophobicContact CG-CG 4.18Å; G140-R144 WeakPolarHBondContact O-CD 3.35Å; G140-R144 VanDerWaalsContact O-CG 3.27Å; G140-R144 WeakPolarHBondContact O-CG 3.03Å; G140-R144 PolarHBondContact O-N 3.5Å; G140-R144 PolarHBondContact O-NH1 3.29Å; R141-R144 WeakPolarHBondContact O-CB 3.42Å; R141-R144 PolarHBondContact O-N 2.65Å; L142-R144 PolarHBondContact O-N 3.12Å; R144-S146 PolarHBondContact O-N 3.19Å; R144-I263 VanDerWaalsContact CZ-CG2 3.44Å
145	F	98.4	Very high	96.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	0.5	174.5	-65.3	-5.5	0	0	0	113.2	V6 F10 R141 L142 M143 Y247 S248 P249 S250	V6-F145 HydrophobicContact CG1-CE2 4.09Å; V6-F145 HydrophobicContact CG1-CZ 3.81Å; F10-F145 HydrophobicContact CE2-CE1 4.44Å; F10-F145 HydrophobicContact CE2-CE2 4.45Å; F10-F145 AromaticContact CE2-CZ 3.61Å; F10-F145 HydrophobicContact CE2-CZ 3.61Å; F10-F145 HydrophobicContact CZ-CE1 4.24Å; F10-F145 HydrophobicContact CZ-CE2 4.3Å; F10-F145 AromaticContact CZ-CZ 3.56Å; F10-F145 HydrophobicContact CZ-CZ 3.56Å; R141-F145 VanDerWaalsContact O-CD1 3.32Å; R141-F145 WeakPolarHBondContact O-CD1 3.46Å; L142-F145 HydrophobicContact CD2-CD2 3.93Å; L142-F145 HydrophobicContact CD2-CE2 3.46Å; L142-F145 VanDerWaalsContact CD2-CE2 3.46Å; L142-F145 HydrophobicContact CD2-CZ 4.06Å; L142-F145 VanDerWaalsContact O-CB 3.29Å; L142-F145 WeakPolarHBondContact O-CB 3.5Å; L142-F145 PolarHBondContact O-N 3.14Å; L142-F145 VanDerWaalsContact O-N 3.09Å; M143-F145 PolarHBondContact O-N 2.89Å; F145-Y247 HydrophobicContact CB-CD2 4.02Å; F145-Y247 HydrophobicContact CB-CE2 3.74Å; F145-Y247 AromaticContact CD2-CE2 3.69Å; F145-Y247 HydrophobicContact CD2-CE2 3.69Å; F145-Y247 AromaticContact CD2-CZ 3.83Å; F145-Y247 WeakPolarHBondContact CD2-OH 3.29Å; F145-Y247 HydrophobicContact CG-CE2 4.23Å; F145-Y247 CarbonylContact O-C 3.54Å; F145-Y247 WeakPolarHBondContact O-CA 3.41Å; F145-S248 WeakPolarHBondContact CA-O 3.36Å; F145-S248 PolarHBondContact O-N 3.23Å; F145-P249 HydrophobicContact CD2-CB 3.86Å; F145-P249 HydrophobicContact CE2-CB 3.8Å; F145-P249 HydrophobicContact CG-CB 4.27Å; F145-P249 HydrophobicContact CZ-CB 4.2Å; F145-S250 WeakPolarHBondContact CE1-O 3.46Å; F145-S250 WeakPolarHBondContact CE1-OG 3.3Å; F145-S250 VanDerWaalsContact CZ-O 3.24Å; F145-S250 WeakPolarHBondContact CZ-O 3.44Å
146	S	98.1	Very high	96.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.021	17%	0.169	C	C	.	.			trans	-151.1	140.7	177.9	161.3	0	0	0	0	110.3	R144 E148 D246	R144-S146 PolarHBondContact O-N 3.19Å; S146-E148 PolarHBondContact O-N 3.21Å; S146-E148 VanDerWaalsContact OG-CG 3.3Å; S146-E148 WeakPolarHBondContact OG-CG 3.47Å; S146-E148 PolarHBondContact OG-N 2.81Å; S146-E148 VanDerWaalsContact OG-N 3.14Å; S146-D246 WeakPolarHBondContact CB-OD1 3.48Å; S146-D246 PolarHBondContact OG-OD1 2.64Å
147	R	96.8	Very high	96.8	Very high	203 Å²	203	39.9 Å²	39.9	77%	0.766	17%	0.171	S	C	*	.	S	Bend	trans	-72.4	-25.3	175.8	-57.9	176.4	175.5	176.7	-0.2	111	A149 Y150 D246	R147-A149 PolarHBondContact O-N 2.98Å; R147-Y150 PolarHBondContact O-N 3.2Å; R147-D246 WeakPolarHBondContact CB-OD2 3.2Å; R147-D246 WeakPolarHBondContact CG-OD2 3.49Å; R147-D246 PolarHBondContact N-OD1 2.66Å; R147-D246 PolarHBondContact N-OD2 2.9Å
148	E	95.1	Very high	96.7	Very high	42 Å²	42	40.5 Å²	40.5	20%	0.196	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.4	-32.3	178.8	99.4	177.1	135.9	0	0	112.3	S146 Y150 N151 R155 Y244 K245 D246	S146-E148 PolarHBondContact O-N 3.21Å; S146-E148 VanDerWaalsContact OG-CG 3.3Å; S146-E148 WeakPolarHBondContact OG-CG 3.47Å; S146-E148 PolarHBondContact OG-N 2.81Å; S146-E148 VanDerWaalsContact OG-N 3.14Å; E148-Y150 PolarHBondContact O-N 3.49Å; E148-N151 PolarHBondContact O-N 2.97Å; E148-N151 VanDerWaalsContact O-N 3.08Å; E148-R155 IonicContact OE1-CZ 3.86Å; E148-R155 IonicContact OE1-NH2 2.86Å; E148-R155 PolarHBondContact OE1-NH2 3.19Å; E148-R155 IonicContact OE2-NE 3.77Å; E148-R155 IonicContact OE2-NH2 3.71Å; E148-Y244 WeakPolarHBondContact OE1-CA 3.49Å; E148-K245 PolarHBondContact OE1-N 3.47Å; E148-K245 WeakPolarHBondContact OE2-CD 3.44Å; E148-K245 VanDerWaalsContact OE2-CE 3.26Å; E148-K245 WeakPolarHBondContact OE2-CE 3.43Å; E148-K245 WeakPolarHBondContact OE2-CG 3.2Å; E148-K245 IonicContact OE2-NZ 3.79Å; E148-D246 PolarHBondContact N-OD1 3.32Å
149	A	96.9	Very high	96.7	Very high	9 Å²	9	40.4 Å²	40.4	7%	0.074	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-67.5	-19.5	-176.3	0	0	0	0	0	113.7	P100 A101 M143 R147 N151 Y244	P100-A149 HydrophobicContact CB-CB 4.12Å; P100-A149 WeakPolarHBondContact CB-O 3.36Å; A101-A149 PolarHBondContact N-O 2.98Å; M143-A149 HydrophobicContact CB-CB 4.49Å; M143-A149 HydrophobicContact CE-CB 3.75Å; M143-A149 WeakPolarHBondContact O-CB 3.28Å; M143-A149 HydrophobicContact SD-CB 4.23Å; R147-A149 PolarHBondContact O-N 2.98Å; A149-N151 PolarHBondContact O-N 3.44Å; A149-Y244 HydrophobicContact CB-CE1 4.45Å
150	Y	96.8	Very high	96.7	Very high	84 Å²	84	40.8 Å²	40.8	33%	0.329	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-73.7	-12.6	175.3	-73	-100.1	0	0	0	113	H99 P100 R147 E148 S380	H99-Y150 AromaticContact CE1-CD1 3.65Å; H99-Y150 AromaticContact NE2-CD1 3.35Å; H99-Y150 VanDerWaalsContact NE2-CD1 3.35Å; H99-Y150 WeakPolarHBondContact NE2-CD1 3.35Å; H99-Y150 AromaticContact NE2-CE1 3.87Å; P100-Y150 HydrophobicContact CB-CD1 4.45Å; P100-Y150 HydrophobicContact CB-CD2 4.36Å; P100-Y150 HydrophobicContact CB-CG 4.26Å; P100-Y150 HydrophobicContact CG-CD1 4.02Å; P100-Y150 HydrophobicContact CG-CD2 4.01Å; P100-Y150 HydrophobicContact CG-CE1 3.84Å; P100-Y150 HydrophobicContact CG-CE2 3.86Å; P100-Y150 HydrophobicContact CG-CG 4.1Å; R147-Y150 PolarHBondContact O-N 3.2Å; E148-Y150 PolarHBondContact O-N 3.49Å; Y150-S380 WeakPolarHBondContact O-CB 3.41Å; Y150-S380 PolarHBondContact O-OG 3.28Å
151	N	95	Very high	96.7	Very high	63 Å²	63	41.1 Å²	41.1	34%	0.337	18%	0.179	S	C	.	.	S	Bend	trans	-103.2	165.9	174.9	-59.2	-49.3	0	0	0	110.6	E148 A149 P379	E148-N151 PolarHBondContact O-N 2.97Å; E148-N151 VanDerWaalsContact O-N 3.08Å; A149-N151 PolarHBondContact O-N 3.44Å; N151-P379 CarbonylContact C-O 3.56Å; N151-P379 VanDerWaalsContact CA-O 3.26Å; N151-P379 WeakPolarHBondContact CA-O 3.33Å; N151-P379 WeakPolarHBondContact CB-O 3.46Å
152	I	91.7	Very high	96.7	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.056	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-56.6	130.7	167.3	-70.2	172.8	0	0	0	108.2	Y318 P379 F381 M384	I152-Y318 HydrophobicContact CG2-CE1 3.44Å; I152-Y318 VanDerWaalsContact CG2-CE1 3.44Å; I152-Y318 WeakPolarHBondContact CG2-OH 3.36Å; I152-P379 HydrophobicContact CB-CB 4.29Å; I152-P379 HydrophobicContact CD1-CB 4.21Å; I152-P379 WeakPolarHBondContact CG1-O 3.46Å; I152-P379 PolarHBondContact N-O 3.43Å; I152-F381 HydrophobicContact CD1-CE1 4.01Å; I152-F381 HydrophobicContact CD1-CZ 4.47Å; I152-F381 HydrophobicContact CG1-CE1 3.99Å; I152-F381 HydrophobicContact CG1-CZ 4.04Å; I152-M384 HydrophobicContact CD1-SD 4.4Å
153	P	93.3	Very high	96.8	Very high	23 Å²	23	38.7 Å²	38.7	15%	0.149	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-65.4	154	-171.9	26.9	-37.2	0	0	0	112.8	F156 P158 L197	P153-F156 WeakPolarHBondContact CB-O 3.48Å; P153-P158 HydrophobicContact CB-CG 3.9Å; P153-P158 HydrophobicContact CG-CG 4.06Å; P153-L197 HydrophobicContact CB-CD1 4.34Å; P153-L197 HydrophobicContact CG-CD1 3.9Å; P153-L197 WeakPolarHBondContact O-CD2 3.45Å
154	E	90.7	Very high	96.8	Very high	107 Å²	107	38.6 Å²	38.6	50%	0.5	17%	0.169	S	C	.	.	S	Bend	trans	-121.3	-20.5	178.7	-61.6	-170.2	142.9	0	0	114.9	K245	E154-K245 IonicContact OE2-NZ 3.78Å; E154-K245 PolarHBondContact OE2-NZ 3.22Å
155	R	94.2	Very high	96.8	Very high	91 Å²	91	35.3 Å²	35.3	34%	0.343	16%	0.157	S	C	.	.	S	Bend	trans	-121.2	-66.6	-170.3	-62.9	-174.3	-63.8	154.6	13	112.4	E148 L197 Y243 Y244 K245	E148-R155 IonicContact OE1-CZ 3.86Å; E148-R155 IonicContact OE1-NH2 2.86Å; E148-R155 PolarHBondContact OE1-NH2 3.19Å; E148-R155 IonicContact OE2-NE 3.77Å; E148-R155 IonicContact OE2-NH2 3.71Å; R155-L197 WeakPolarHBondContact O-CB 3.26Å; R155-L197 PolarHBondContact O-N 3.21Å; R155-Y243 PolarHBondContact NH2-O 3.07Å; R155-Y244 PolarHBondContact NH2-O 3.28Å; R155-K245 VanDerWaalsContact NE-CE 3.35Å
156	F	97.3	Very high	96.8	Very high	62 Å²	62	35.2 Å²	35.2	27%	0.272	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-107.8	151.5	177.5	-66	-77.2	0	0	0	110.7	P153 P158 I161 A195 Y243	P153-F156 WeakPolarHBondContact CB-O 3.48Å; F156-P158 WeakPolarHBondContact O-CD 3.44Å; F156-I161 HydrophobicContact CB-CD1 3.46Å; F156-I161 VanDerWaalsContact CB-CD1 3.46Å; F156-I161 HydrophobicContact CB-CG1 4.4Å; F156-I161 HydrophobicContact CG-CD1 4.18Å; F156-A195 CarbonylContact C-O 3.54Å; F156-A195 WeakPolarHBondContact CA-O 3.34Å; F156-Y243 HydrophobicContact CD1-CD1 4.32Å; F156-Y243 HydrophobicContact CD2-CD1 4.09Å; F156-Y243 HydrophobicContact CE1-CD1 4.27Å; F156-Y243 HydrophobicContact CE1-CE1 4.5Å; F156-Y243 HydrophobicContact CE2-CD1 4.03Å; F156-Y243 HydrophobicContact CG-CD1 4.24Å; F156-Y243 HydrophobicContact CZ-CD1 4.13Å
157	H	98.2	Very high	96.9	Very high	9 Å²	9	35 Å²	35	4%	0.042	16%	0.156	C	C	.	.			trans	-79.8	113	173.9	-174	-133.9	0	0	0	109.7	H90 P159 S160 A195 L197 H208	H90-H157 AromaticContact NE2-CE1 3.72Å; H157-P159 VanDerWaalsContact C-CD 3.41Å; H157-P159 VanDerWaalsContact O-N 3.16Å; H157-S160 WeakPolarHBondContact O-CB 3.28Å; H157-S160 PolarHBondContact O-N 3.09Å; H157-S160 PolarHBondContact O-OG 3.33Å; H157-A195 PolarHBondContact N-O 2.85Å; H157-L197 HydrophobicContact CB-CD1 4.5Å; H157-H208 AromaticContact CE1-ND1 3.89Å; H157-H208 AromaticContact CG-ND1 3.51Å; H157-H208 WeakPolarHBondContact ND1-CB 3.39Å; H157-H208 AromaticContact ND1-CG 3.58Å; H157-H208 AromaticContact ND1-ND1 2.98Å; H157-H208 PolarHBondContact ND1-ND1 3.2Å
158	P	98.6	Very high	97	Very high	15 Å²	15	25.4 Å²	25.4	10%	0.097	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-52.9	-39.4	-171.4	-28	36	0	0	0	115.7	A101 M143 P153 F156 S160 I161 V162	A101-P158 VanDerWaalsContact O-CB 3.31Å; A101-P158 WeakPolarHBondContact O-CB 3.25Å; A101-P158 WeakPolarHBondContact O-CG 3.4Å; M143-P158 HydrophobicContact CE-CB 3.81Å; M143-P158 HydrophobicContact CE-CG 4.25Å; M143-P158 HydrophobicContact SD-CB 3.96Å; P153-P158 HydrophobicContact CB-CG 3.9Å; P153-P158 HydrophobicContact CG-CG 4.06Å; F156-P158 WeakPolarHBondContact O-CD 3.44Å; P158-S160 PolarHBondContact O-N 3.02Å; P158-S160 VanDerWaalsContact O-N 3.17Å; P158-I161 WeakPolarHBondContact O-CA 3.45Å; P158-I161 PolarHBondContact O-N 2.75Å; P158-V162 WeakPolarHBondContact O-CG2 3.37Å; P158-V162 PolarHBondContact O-N 2.97Å
159	P	98.8	Very high	97.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63.1	-24.4	178	-19.5	29.1	0	0	0	114.6	H103 H157 I161 G163 I209 A212	H103-P159 HydrophobicContact CB-CG 4.09Å; H157-P159 VanDerWaalsContact C-CD 3.41Å; H157-P159 VanDerWaalsContact O-N 3.16Å; P159-I161 PolarHBondContact O-N 3.14Å; P159-G163 WeakPolarHBondContact O-CA 3.42Å; P159-G163 PolarHBondContact O-N 3.11Å; P159-G163 VanDerWaalsContact O-N 3.14Å; P159-I209 HydrophobicContact CB-CD1 3.24Å; P159-I209 HydrophobicContact CB-CG1 4.23Å; P159-I209 HydrophobicContact CG-CD1 4.01Å; P159-A212 WeakPolarHBondContact O-CB 3.2Å
160	S	98.8	Very high	97.3	Very high	8 Å²	8	23 Å²	23	6%	0.056	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-76	-10.9	173.5	71.4	0	0	0	0	113.6	H157 P158 V164 A193 G194 A195	H157-S160 WeakPolarHBondContact O-CB 3.28Å; H157-S160 PolarHBondContact O-N 3.09Å; H157-S160 PolarHBondContact O-OG 3.33Å; P158-S160 PolarHBondContact O-N 3.02Å; P158-S160 VanDerWaalsContact O-N 3.17Å; S160-V164 WeakPolarHBondContact O-CG2 3.34Å; S160-A193 WeakPolarHBondContact O-CA 3.47Å; S160-G194 PolarHBondContact O-N 3.08Å; S160-A195 WeakPolarHBondContact OG-CB 3.37Å; S160-A195 PolarHBondContact OG-N 2.81Å
161	I	98.8	Very high	97.4	Very high	7 Å²	7	19 Å²	19	4%	0.036	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-75.3	177.1	-59.7	156.8	0	0	0	108.1	F156 P158 P159 G163 V164 M165 L240 Y243	F156-I161 HydrophobicContact CB-CD1 3.46Å; F156-I161 VanDerWaalsContact CB-CD1 3.46Å; F156-I161 HydrophobicContact CB-CG1 4.4Å; F156-I161 HydrophobicContact CG-CD1 4.18Å; P158-I161 WeakPolarHBondContact O-CA 3.45Å; P158-I161 PolarHBondContact O-N 2.75Å; P159-I161 PolarHBondContact O-N 3.14Å; I161-G163 VanDerWaalsContact C-N 3.32Å; I161-G163 PolarHBondContact O-N 3.2Å; I161-V164 PolarHBondContact O-N 3.41Å; I161-M165 WeakPolarHBondContact O-CG 3.38Å; I161-M165 PolarHBondContact O-N 3.21Å; I161-L240 HydrophobicContact CG2-CD1 4.09Å; I161-Y243 HydrophobicContact CD1-CD1 4.17Å; I161-Y243 HydrophobicContact CD1-CG 3.98Å; I161-Y243 HydrophobicContact CG1-CD1 4.08Å; I161-Y243 HydrophobicContact CG1-CD2 4.46Å; I161-Y243 HydrophobicContact CG1-CG 3.97Å; I161-Y243 HydrophobicContact CG2-CD2 3.93Å; I161-Y243 HydrophobicContact CG2-CG 4.12Å
162	V	98.9	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.9	-30.8	-173.2	-62.5	0	0	0	0	111.7	Q139 L142 M143 P158 V164 M165 G166 Y244	Q139-V162 HydrophobicContact CB-CB 4.26Å; Q139-V162 HydrophobicContact CB-CG2 4.27Å; Q139-V162 HydrophobicContact CG-CB 4.13Å; Q139-V162 HydrophobicContact CG-CG2 4.25Å; Q139-V162 WeakPolarHBondContact CG-O 3.35Å; L142-V162 HydrophobicContact CB-CG1 3.78Å; M143-V162 HydrophobicContact CG-CB 4.31Å; M143-V162 HydrophobicContact CG-CG1 3.89Å; M143-V162 HydrophobicContact CG-CG2 3.81Å; M143-V162 HydrophobicContact SD-CB 4.39Å; M143-V162 HydrophobicContact SD-CG1 3.77Å; M143-V162 HydrophobicContact SD-CG2 3.73Å; P158-V162 WeakPolarHBondContact O-CG2 3.37Å; P158-V162 PolarHBondContact O-N 2.97Å; V162-V164 VanDerWaalsContact C-N 3.32Å; V162-V164 PolarHBondContact O-N 3.24Å; V162-M165 CarbonylContact O-C 3.6Å; V162-M165 WeakPolarHBondContact O-CB 3.29Å; V162-M165 PolarHBondContact O-N 3.39Å; V162-M165 VanDerWaalsContact O-N 3.14Å; V162-G166 PolarHBondContact O-N 2.89Å; V162-Y244 VanDerWaalsContact CG1-OH 3.28Å; V162-Y244 WeakPolarHBondContact CG1-OH 3.48Å
163	G	98.9	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-36	176.4	0	0	0	0	0	113	A107 P159 I161 M165 G166 S167	A107-G163 WeakPolarHBondContact CB-O 3.31Å; P159-G163 WeakPolarHBondContact O-CA 3.42Å; P159-G163 PolarHBondContact O-N 3.11Å; P159-G163 VanDerWaalsContact O-N 3.14Å; I161-G163 VanDerWaalsContact C-N 3.32Å; I161-G163 PolarHBondContact O-N 3.2Å; G163-M165 VanDerWaalsContact C-N 3.32Å; G163-G166 PolarHBondContact O-N 3.47Å; G163-S167 WeakPolarHBondContact O-CB 3.36Å; G163-S167 PolarHBondContact O-N 3.1Å
164	V	98.9	Very high	98.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-43.8	174.5	-173.4	0	0	0	0	109.6	S160 I161 V162 S167 A168 A189 A193 A212 R215 G216	S160-V164 WeakPolarHBondContact O-CG2 3.34Å; I161-V164 PolarHBondContact O-N 3.41Å; V162-V164 VanDerWaalsContact C-N 3.32Å; V162-V164 PolarHBondContact O-N 3.24Å; V164-S167 PolarHBondContact O-N 2.87Å; V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 2.92Å; V164-A189 HydrophobicContact CG1-CB 3.98Å; V164-A193 HydrophobicContact CB-CB 4.5Å; V164-A193 HydrophobicContact CG2-CB 4.37Å; V164-A212 HydrophobicContact CG2-CB 3.92Å; V164-R215 HydrophobicContact CG1-CB 3.92Å; V164-G216 WeakPolarHBondContact O-CA 3.14Å
165	M	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.8	-40.7	178.1	-53.3	-61.2	-78.3	0	0	111.9	V138 L142 I161 V162 G163 A168 A169 L186 A189 A190 L234 L240	V138-M165 HydrophobicContact CG1-CB 4.28Å; L142-M165 HydrophobicContact CD1-CB 3.47Å; L142-M165 VanDerWaalsContact CD1-CB 3.47Å; L142-M165 HydrophobicContact CD1-CE 4.27Å; L142-M165 HydrophobicContact CD1-CG 3.66Å; I161-M165 WeakPolarHBondContact O-CG 3.38Å; I161-M165 PolarHBondContact O-N 3.21Å; V162-M165 CarbonylContact O-C 3.6Å; V162-M165 WeakPolarHBondContact O-CB 3.29Å; V162-M165 PolarHBondContact O-N 3.39Å; V162-M165 VanDerWaalsContact O-N 3.14Å; G163-M165 VanDerWaalsContact C-N 3.32Å; M165-A168 PolarHBondContact O-N 3.06Å; M165-A169 WeakPolarHBondContact O-CB 3.38Å; M165-A169 PolarHBondContact O-N 3.36Å; M165-L186 HydrophobicContact CB-CD2 4.36Å; M165-L186 HydrophobicContact CE-CB 3.76Å; M165-L186 HydrophobicContact CE-CD2 3.95Å; M165-L186 HydrophobicContact CE-CG 4.39Å; M165-L186 WeakPolarHBondContact CE-O 3.28Å; M165-A189 HydrophobicContact SD-CB 3.72Å; M165-A190 HydrophobicContact CE-CB 4.47Å; M165-A190 HydrophobicContact SD-CB 4.28Å; M165-L234 HydrophobicContact CE-CD2 3.72Å; M165-L240 HydrophobicContact CE-CD1 4.4Å; M165-L240 HydrophobicContact SD-CD1 4.4Å
166	G	98.9	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-43.8	175.5	0	0	0	0	0	112.4	G135 V162 G163 A168 A169 A170	G135-G166 VanDerWaalsContact CA-O 3.31Å; G135-G166 WeakPolarHBondContact CA-O 3.25Å; G135-G166 WeakPolarHBondContact O-CA 3.08Å; V162-G166 PolarHBondContact O-N 2.89Å; G163-G166 PolarHBondContact O-N 3.47Å; G166-A168 VanDerWaalsContact C-N 3.35Å; G166-A169 PolarHBondContact O-N 3.1Å; G166-A170 VanDerWaalsContact O-CB 3.24Å; G166-A170 WeakPolarHBondContact O-CB 3.49Å; G166-A170 PolarHBondContact O-N 3.35Å
167	S	98.9	Very high	98.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-43	173.5	173.1	0	0	0	0	111.9	A107 A111 G163 V164 S171 A212 A213 G216 L217	A107-S167 WeakPolarHBondContact O-CB 3.33Å; A111-S167 WeakPolarHBondContact CB-OG 3.32Å; G163-S167 WeakPolarHBondContact O-CB 3.36Å; G163-S167 PolarHBondContact O-N 3.1Å; V164-S167 PolarHBondContact O-N 2.87Å; S167-S171 WeakPolarHBondContact O-CB 3.32Å; S167-S171 PolarHBondContact O-N 2.92Å; S167-S171 PolarHBondContact O-OG 3.18Å; S167-A212 WeakPolarHBondContact CB-O 3.2Å; S167-A212 PolarHBondContact OG-O 2.9Å; S167-A213 PolarHBondContact OG-O 3.38Å; S167-G216 WeakPolarHBondContact OG-CA 3.47Å; S167-L217 PolarHBondContact OG-N 3.04Å; S167-L217 VanDerWaalsContact OG-N 3.16Å
168	A	98.9	Very high	98.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-46.3	176.4	0	0	0	0	0	112.1	V164 M165 G166 S171 A172 A189 G216 A219	V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 2.92Å; M165-A168 PolarHBondContact O-N 3.06Å; G166-A168 VanDerWaalsContact C-N 3.35Å; A168-S171 PolarHBondContact O-N 3.49Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.27Å; A168-A189 HydrophobicContact CB-CB 3.76Å; A168-G216 VanDerWaalsContact CA-O 3.3Å; A168-G216 WeakPolarHBondContact CA-O 3.3Å; A168-A219 HydrophobicContact CB-CB 4.39Å
169	A	98.9	Very high	98.7	Very high	1 Å²	1	13 Å²	13	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-46.5	178	0	0	0	0	0	112.4	I14 V134 V138 M165 G166 A172 K173 L186	I14-A169 HydrophobicContact CD1-CB 3.64Å; I14-A169 HydrophobicContact CG1-CB 4.03Å; V134-A169 HydrophobicContact CG1-CB 4.28Å; V138-A169 HydrophobicContact CB-CB 3.95Å; V138-A169 HydrophobicContact CG1-CB 4.12Å; V138-A169 HydrophobicContact CG2-CB 3.64Å; M165-A169 WeakPolarHBondContact O-CB 3.38Å; M165-A169 PolarHBondContact O-N 3.36Å; G166-A169 PolarHBondContact O-N 3.1Å; A169-A172 PolarHBondContact O-N 3.3Å; A169-K173 WeakPolarHBondContact O-CB 3.11Å; A169-K173 PolarHBondContact O-N 2.82Å; A169-L186 HydrophobicContact CB-CD2 4.39Å
170	A	98.9	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-45.8	178.3	0	0	0	0	0	111.5	V108 L112 A131 G166 K173 L174	V108-A170 HydrophobicContact CG1-CB 3.64Å; L112-A170 HydrophobicContact CD1-CB 4.16Å; L112-A170 HydrophobicContact CD2-CB 3.85Å; L112-A170 HydrophobicContact CG-CB 4.07Å; A131-A170 WeakPolarHBondContact O-CA 3.38Å; A131-A170 VanDerWaalsContact O-CB 3.23Å; A131-A170 WeakPolarHBondContact O-CB 3.25Å; G166-A170 VanDerWaalsContact O-CB 3.24Å; G166-A170 WeakPolarHBondContact O-CB 3.49Å; G166-A170 PolarHBondContact O-N 3.35Å; A170-K173 PolarHBondContact O-N 3.13Å; A170-L174 PolarHBondContact O-N 2.96Å
171	S	98.9	Very high	98.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-41.8	178	-58.4	0	0	0	0	111.7	S167 A168 K173 L174 L175	S167-S171 WeakPolarHBondContact O-CB 3.32Å; S167-S171 PolarHBondContact O-N 2.92Å; S167-S171 PolarHBondContact O-OG 3.18Å; A168-S171 PolarHBondContact O-N 3.49Å; S171-K173 VanDerWaalsContact C-N 3.33Å; S171-K173 PolarHBondContact O-N 3.02Å; S171-L174 PolarHBondContact O-N 3.46Å; S171-L175 WeakPolarHBondContact O-CB 3.37Å; S171-L175 WeakPolarHBondContact O-CG 3.33Å; S171-L175 PolarHBondContact O-N 3.18Å
172	A	98.9	Very high	98.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-40	175.3	0	0	0	0	0	112	I14 A168 A169 L175 G176 L177 A185 A220	I14-A172 HydrophobicContact CG2-CB 4.28Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.27Å; A169-A172 PolarHBondContact O-N 3.3Å; A172-L175 PolarHBondContact O-N 2.79Å; A172-G176 PolarHBondContact O-N 3.47Å; A172-L177 HydrophobicContact CB-CB 4.35Å; A172-L177 HydrophobicContact CB-CD1 3.71Å; A172-L177 HydrophobicContact CB-CG 4.14Å; A172-L177 PolarHBondContact O-N 2.84Å; A172-A185 HydrophobicContact CB-CB 4.44Å; A172-A220 HydrophobicContact CB-CB 4.32Å
173	K	98.9	Very high	98.7	Very high	42 Å²	42	18.5 Å²	18.5	18%	0.183	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-48.3	174.8	179.9	67.6	-151.3	174.7	0	111.5	I14 H15 L17 A131 V134 A169 A170 S171 L175 G176	I14-K173 HydrophobicContact CG2-CB 4.33Å; I14-K173 WeakPolarHBondContact O-CD 2.89Å; H15-K173 PolarHBondContact O-NZ 2.95Å; L17-K173 WeakPolarHBondContact O-CE 3.37Å; L17-K173 PolarHBondContact O-NZ 3.44Å; A131-K173 HydrophobicContact CB-CB 4.3Å; A131-K173 HydrophobicContact CB-CG 4.15Å; V134-K173 HydrophobicContact CB-CB 4.4Å; V134-K173 HydrophobicContact CB-CG 4.4Å; V134-K173 HydrophobicContact CG1-CB 4.2Å; V134-K173 HydrophobicContact CG2-CD 4.26Å; V134-K173 HydrophobicContact CG2-CG 4.12Å; A169-K173 WeakPolarHBondContact O-CB 3.11Å; A169-K173 PolarHBondContact O-N 2.82Å; A170-K173 PolarHBondContact O-N 3.13Å; S171-K173 VanDerWaalsContact C-N 3.33Å; S171-K173 PolarHBondContact O-N 3.02Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.27Å; K173-G176 PolarHBondContact O-N 3.26Å; K173-G176 VanDerWaalsContact O-N 3.11Å
174	L	98.4	Very high	98.7	Very high	24 Å²	24	19.7 Å²	19.7	13%	0.126	13%	0.127	C	C	.	.	H	α-helix	trans	-67.6	-31.7	-179.3	-166.1	66.7	0	0	0	112.5	L112 L115 A116 L119 P123 D127 A131 A170 S171 G176	L112-L174 HydrophobicContact CD2-CB 4.02Å; L112-L174 HydrophobicContact CD2-CD2 3.89Å; L112-L174 HydrophobicContact CD2-CG 4.5Å; L115-L174 HydrophobicContact CB-CD2 4.42Å; L115-L174 HydrophobicContact CD2-CB 4.13Å; L115-L174 HydrophobicContact CD2-CD2 3.94Å; L115-L174 HydrophobicContact CD2-CG 4.42Å; L115-L174 HydrophobicContact CG-CD2 4.07Å; A116-L174 HydrophobicContact CB-CD2 4.24Å; L119-L174 HydrophobicContact CD1-CD2 4.13Å; L119-L174 HydrophobicContact CD1-CG 3.99Å; P123-L174 HydrophobicContact CB-CD1 3.81Å; P123-L174 HydrophobicContact CG-CD1 4.04Å; P123-L174 HydrophobicContact CG-CD2 4.46Å; D127-L174 HydrophobicContact CB-CD1 4.4Å; A131-L174 HydrophobicContact CB-CB 4.03Å; A131-L174 HydrophobicContact CB-CD1 4.24Å; A170-L174 PolarHBondContact O-N 2.96Å; S171-L174 PolarHBondContact O-N 3.46Å; L174-G176 PolarHBondContact O-N 3.09Å
175	L	98.5	Very high	98.7	Very high	24 Å²	24	19.6 Å²	19.6	13%	0.126	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.7	173.6	-72.9	169.7	0	0	0	113.7	L115 L119 S171 A172 K173 L177 A220	L115-L175 HydrophobicContact CD1-CD2 3.96Å; L115-L175 HydrophobicContact CD1-CG 4.41Å; L115-L175 HydrophobicContact CD2-CD1 4.46Å; L115-L175 HydrophobicContact CD2-CD2 4.37Å; L115-L175 HydrophobicContact CD2-CG 3.98Å; L119-L175 HydrophobicContact CD2-CD2 3.9Å; S171-L175 WeakPolarHBondContact O-CB 3.37Å; S171-L175 WeakPolarHBondContact O-CG 3.33Å; S171-L175 PolarHBondContact O-N 3.18Å; A172-L175 PolarHBondContact O-N 2.79Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.27Å; L175-L177 HydrophobicContact CB-CD2 3.78Å; L175-L177 HydrophobicContact CB-CG 3.88Å; L175-L177 HydrophobicContact CD1-CD2 4.48Å; L175-A220 HydrophobicContact CD1-CB 4.1Å
176	G	98.1	Very high	98.7	Very high	59 Å²	59	19.7 Å²	19.7	61%	0.608	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	34.9	-176.8	0	0	0	0	0	113.6	A172 K173 L174	A172-G176 PolarHBondContact O-N 3.47Å; K173-G176 PolarHBondContact O-N 3.26Å; K173-G176 VanDerWaalsContact O-N 3.11Å; L174-G176 PolarHBondContact O-N 3.09Å
177	L	98.8	Very high	98.7	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.026	13%	0.128	C	C	.	.			trans	-64.8	151.2	-177.3	-59.8	-169.1	0	0	0	112.3	H15 A172 L175 Q181 A220 A223 Q224	H15-L177 PolarHBondContact ND1-O 3.47Å; A172-L177 HydrophobicContact CB-CB 4.35Å; A172-L177 HydrophobicContact CB-CD1 3.71Å; A172-L177 HydrophobicContact CB-CG 4.14Å; A172-L177 PolarHBondContact O-N 2.84Å; L175-L177 HydrophobicContact CB-CD2 3.78Å; L175-L177 HydrophobicContact CB-CG 3.88Å; L175-L177 HydrophobicContact CD1-CD2 4.48Å; L177-Q181 HydrophobicContact CB-CB 3.87Å; L177-Q181 HydrophobicContact CD1-CB 4.21Å; L177-Q181 HydrophobicContact CG-CB 4.48Å; L177-A220 WeakPolarHBondContact CD1-O 3.47Å; L177-A223 HydrophobicContact CD1-CB 4.47Å; L177-Q224 HydrophobicContact CD2-CB 3.77Å; L177-Q224 HydrophobicContact CD2-CG 3.82Å
178	S	98.7	Very high	98.7	Very high	45 Å²	45	20.6 Å²	20.6	32%	0.315	13%	0.132	S	C	.	.			trans	-66.6	160.9	173.6	66.8	0	0	0	0	111.9	S180 Q181 C182	S178-S180 VanDerWaalsContact C-N 3.28Å; S178-S180 PolarHBondContact O-N 2.97Å; S178-Q181 VanDerWaalsContact N-OE1 3.14Å; S178-Q181 PolarHBondContact O-N 3.27Å; S178-Q181 VanDerWaalsContact O-N 3.09Å; S178-Q181 WeakPolarHBondContact OG-CB 3.48Å; S178-Q181 VanDerWaalsContact OG-CG 3.31Å; S178-Q181 WeakPolarHBondContact OG-CG 3.28Å; S178-Q181 PolarHBondContact OG-N 2.94Å; S178-Q181 PolarHBondContact OG-OE1 2.77Å; S178-C182 PolarHBondContact O-N 3.07Å; S178-C182 PolarHBondContact O-SG 3.39Å; S178-C182 VanDerWaalsContact O-SG 3.34Å
179	P	97.9	Very high	98.7	Very high	55 Å²	55	20.6 Å²	20.6	36%	0.357	13%	0.132	S	C	.	.	H	α-helix	trans	-53.5	-41.1	178.8	-28.4	35.6	0	0	0	114.3	H15 C182 S183	H15-P179 HydrophobicContact CB-CB 4.43Å; H15-P179 HydrophobicContact CB-CG 3.91Å; P179-C182 PolarHBondContact O-N 3.4Å; P179-S183 PolarHBondContact O-N 2.83Å; P179-S183 VanDerWaalsContact O-N 3.1Å; P179-S183 PolarHBondContact O-OG 3.18Å
180	S	98.3	Very high	98.7	Very high	67 Å²	67	20.8 Å²	20.8	47%	0.469	13%	0.134	S	C	.	.	H	α-helix	trans	-67	-44.1	177.2	156.3	0	0	0	0	111.5	S178 C182 S183 H184	S178-S180 VanDerWaalsContact C-N 3.28Å; S178-S180 PolarHBondContact O-N 2.97Å; S180-C182 VanDerWaalsContact C-N 3.31Å; S180-C182 PolarHBondContact O-N 2.81Å; S180-S183 WeakPolarHBondContact O-CB 3.42Å; S180-S183 PolarHBondContact O-N 3.21Å; S180-S183 VanDerWaalsContact O-N 3.14Å; S180-H184 PolarHBondContact O-CD2 3.41Å; S180-H184 PolarHBondContact O-N 2.69Å; S180-H184 PolarHBondContact OG-CD2 2.99Å; S180-H184 PolarHBondContact OG-NE2 3.36Å
181	Q	98.8	Very high	98.7	Very high	51 Å²	51	25.5 Å²	25.5	24%	0.238	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-35.6	175.8	-72.9	172.4	-55	0	0	112.2	L177 S178 H184 A185 A223 Q224	L177-Q181 HydrophobicContact CB-CB 3.87Å; L177-Q181 HydrophobicContact CD1-CB 4.21Å; L177-Q181 HydrophobicContact CG-CB 4.48Å; S178-Q181 VanDerWaalsContact N-OE1 3.14Å; S178-Q181 PolarHBondContact O-N 3.27Å; S178-Q181 VanDerWaalsContact O-N 3.09Å; S178-Q181 WeakPolarHBondContact OG-CB 3.48Å; S178-Q181 VanDerWaalsContact OG-CG 3.31Å; S178-Q181 WeakPolarHBondContact OG-CG 3.28Å; S178-Q181 PolarHBondContact OG-N 2.94Å; S178-Q181 PolarHBondContact OG-OE1 2.77Å; Q181-H184 PolarHBondContact O-N 3.37Å; Q181-A185 WeakPolarHBondContact O-CB 3.47Å; Q181-A185 PolarHBondContact O-N 2.82Å; Q181-A223 PolarHBondContact NE2-O 2.98Å; Q181-A223 WeakPolarHBondContact O-CB 3.3Å; Q181-Q224 PolarHBondContact NE2-O 2.71Å
182	C	98.8	Very high	98.5	Very high	1 Å²	1	28 Å²	28	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-44.6	171.9	-67.4	0	0	0	0	111.5	G11 I14 S178 P179 S180 A185 L186	G11-C182 WeakPolarHBondContact O-CB 3.42Å; I14-C182 HydrophobicContact CB-CB 4.16Å; I14-C182 HydrophobicContact CD1-CB 4.5Å; I14-C182 HydrophobicContact CG2-CB 4.11Å; S178-C182 PolarHBondContact O-N 3.07Å; S178-C182 PolarHBondContact O-SG 3.39Å; S178-C182 VanDerWaalsContact O-SG 3.34Å; P179-C182 PolarHBondContact O-N 3.4Å; S180-C182 VanDerWaalsContact C-N 3.31Å; S180-C182 PolarHBondContact O-N 2.81Å; C182-A185 PolarHBondContact O-N 3.43Å; C182-L186 WeakPolarHBondContact O-CG 3.27Å; C182-L186 PolarHBondContact O-N 3.11Å; C182-L186 VanDerWaalsContact O-N 3.16Å
183	S	98.8	Very high	98.5	Very high	12 Å²	12	28.5 Å²	28.5	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-44.6	174.2	-62.8	0	0	0	0	112.1	T7 P179 S180 L186 A187	T7-S183 PolarHBondContact O-OG 3.01Å; P179-S183 PolarHBondContact O-N 2.83Å; P179-S183 VanDerWaalsContact O-N 3.1Å; P179-S183 PolarHBondContact O-OG 3.18Å; S180-S183 WeakPolarHBondContact O-CB 3.42Å; S180-S183 PolarHBondContact O-N 3.21Å; S180-S183 VanDerWaalsContact O-N 3.14Å; S183-L186 PolarHBondContact O-N 3.5Å; S183-A187 PolarHBondContact O-N 3.12Å
184	H	98.9	Very high	98.4	Very high	25 Å²	25	27.8 Å²	27.8	12%	0.116	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-36.2	177.6	-65.4	-48.7	0	0	0	112.5	S180 Q181 L186 A187 I188 A223 G229	S180-H184 PolarHBondContact O-CD2 3.41Å; S180-H184 PolarHBondContact O-N 2.69Å; S180-H184 PolarHBondContact OG-CD2 2.99Å; S180-H184 PolarHBondContact OG-NE2 3.36Å; Q181-H184 PolarHBondContact O-N 3.37Å; H184-L186 VanDerWaalsContact C-N 3.32Å; H184-L186 PolarHBondContact O-N 2.98Å; H184-A187 PolarHBondContact O-N 2.98Å; H184-A187 VanDerWaalsContact O-N 3.13Å; H184-I188 WeakPolarHBondContact O-CD1 3.31Å; H184-I188 VanDerWaalsContact O-CG1 3.26Å; H184-I188 WeakPolarHBondContact O-CG1 3.33Å; H184-I188 PolarHBondContact O-N 3.41Å; H184-A223 HydrophobicContact CB-CB 4.25Å; H184-G229 PolarHBondContact ND1-N 2.82Å; H184-G229 PolarHBondContact ND1-O 2.84Å
185	A	98.9	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-43.6	173.9	0	0	0	0	0	111.4	A172 Q181 C182 A189 A220 A223	A172-A185 HydrophobicContact CB-CB 4.44Å; Q181-A185 WeakPolarHBondContact O-CB 3.47Å; Q181-A185 PolarHBondContact O-N 2.82Å; C182-A185 PolarHBondContact O-N 3.43Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 2.85Å; A185-A220 HydrophobicContact CB-CB 4.46Å; A185-A223 HydrophobicContact CB-CB 3.81Å
186	L	98.9	Very high	98.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-40.8	173.6	-63.5	175.5	0	0	0	111.7	F10 I14 V138 M165 A169 C182 S183 H184 A189 A190 L234	F10-L186 HydrophobicContact CB-CD1 3.7Å; F10-L186 HydrophobicContact CD1-CD1 4.45Å; F10-L186 HydrophobicContact CG-CD1 4.48Å; I14-L186 HydrophobicContact CD1-CD1 3.78Å; I14-L186 HydrophobicContact CD1-CD2 4.19Å; I14-L186 HydrophobicContact CD1-CG 4.16Å; V138-L186 HydrophobicContact CG1-CD2 4.31Å; M165-L186 HydrophobicContact CB-CD2 4.36Å; M165-L186 HydrophobicContact CE-CB 3.76Å; M165-L186 HydrophobicContact CE-CD2 3.95Å; M165-L186 HydrophobicContact CE-CG 4.39Å; M165-L186 WeakPolarHBondContact CE-O 3.28Å; A169-L186 HydrophobicContact CB-CD2 4.39Å; C182-L186 WeakPolarHBondContact O-CG 3.27Å; C182-L186 PolarHBondContact O-N 3.11Å; C182-L186 VanDerWaalsContact O-N 3.16Å; S183-L186 PolarHBondContact O-N 3.5Å; H184-L186 VanDerWaalsContact C-N 3.32Å; H184-L186 PolarHBondContact O-N 2.98Å; L186-A189 PolarHBondContact O-N 3.24Å; L186-A190 PolarHBondContact O-N 3.13Å; L186-L234 HydrophobicContact CD1-CD1 4.29Å
187	A	98.8	Very high	98.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-42.1	178.7	0	0	0	0	0	112.8	S183 H184 M233	S183-A187 PolarHBondContact O-N 3.12Å; H184-A187 PolarHBondContact O-N 2.98Å; H184-A187 VanDerWaalsContact O-N 3.13Å; A187-M233 HydrophobicContact CB-CB 4.03Å; A187-M233 HydrophobicContact CB-CE 4.38Å; A187-M233 HydrophobicContact CB-CG 4.43Å
188	I	98.9	Very high	98	Very high	19 Å²	19	32 Å²	32	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-42.3	175.6	-64.8	158.7	0	0	0	110.5	H184 A190 S191 A219 L222 A223 L227	H184-I188 WeakPolarHBondContact O-CD1 3.31Å; H184-I188 VanDerWaalsContact O-CG1 3.26Å; H184-I188 WeakPolarHBondContact O-CG1 3.33Å; H184-I188 PolarHBondContact O-N 3.41Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.43Å; I188-S191 PolarHBondContact O-N 3.13Å; I188-A219 HydrophobicContact CB-CB 4.01Å; I188-A219 HydrophobicContact CG2-CB 3.75Å; I188-L222 HydrophobicContact CD1-CB 4.09Å; I188-L222 HydrophobicContact CG2-CD1 4.02Å; I188-A223 HydrophobicContact CD1-CB 4.11Å; I188-L227 HydrophobicContact CD1-CB 3.92Å; I188-L227 HydrophobicContact CD1-CD2 3.86Å; I188-L227 HydrophobicContact CD1-CG 3.86Å; I188-L227 WeakPolarHBondContact CD1-O 3.38Å; I188-L227 HydrophobicContact CG1-CD2 4.09Å; I188-L227 HydrophobicContact CG1-CG 4.28Å; I188-L227 HydrophobicContact CG2-CD2 4.49Å
189	A	98.8	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-41.8	178	0	0	0	0	0	112.2	V164 M165 A168 A185 L186 S191 S192 A193 A219	V164-A189 HydrophobicContact CG1-CB 3.98Å; M165-A189 HydrophobicContact SD-CB 3.72Å; A168-A189 HydrophobicContact CB-CB 3.76Å; A185-A189 WeakPolarHBondContact O-CB 3.45Å; A185-A189 PolarHBondContact O-N 2.85Å; L186-A189 PolarHBondContact O-N 3.24Å; A189-S191 VanDerWaalsContact C-N 3.26Å; A189-S191 PolarHBondContact O-N 3.03Å; A189-S192 PolarHBondContact O-N 2.98Å; A189-A193 PolarHBondContact O-N 2.79Å; A189-A219 HydrophobicContact CB-CB 3.87Å
190	A	98.6	Very high	97.6	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-38.2	178.1	0	0	0	0	0	112.5	M165 L186 I188 S192 A193 M233 L240 Y243	M165-A190 HydrophobicContact CE-CB 4.47Å; M165-A190 HydrophobicContact SD-CB 4.28Å; L186-A190 PolarHBondContact O-N 3.13Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.43Å; A190-S192 PolarHBondContact O-N 2.89Å; A190-A193 VanDerWaalsContact O-CB 3.32Å; A190-A193 WeakPolarHBondContact O-CB 3.28Å; A190-A193 PolarHBondContact O-N 2.73Å; A190-A193 VanDerWaalsContact O-N 3.16Å; A190-M233 HydrophobicContact CB-CE 4.25Å; A190-M233 HydrophobicContact CB-CG 3.58Å; A190-M233 HydrophobicContact CB-SD 3.81Å; A190-L240 HydrophobicContact CB-CD1 4.37Å; A190-Y243 PolarHBondContact O-OH 3.22Å
191	S	98.3	Very high	97.3	Very high	99 Å²	99	28.3 Å²	28.3	69%	0.692	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.1	177.3	-61.3	0	0	0	0	114.4	I188 A189	I188-S191 PolarHBondContact O-N 3.13Å; A189-S191 VanDerWaalsContact C-N 3.26Å; A189-S191 PolarHBondContact O-N 3.03Å
192	S	96.3	Very high	97.2	Very high	52 Å²	52	28.1 Å²	28.1	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7.9	176	-65.1	0	0	0	0	113	A189 A190	A189-S192 PolarHBondContact O-N 2.98Å; A190-S192 PolarHBondContact O-N 2.89Å
193	A	97.5	Very high	97.1	Very high	11 Å²	11	31.4 Å²	31.4	9%	0.091	21%	0.211	C	C	.	.			trans	-93.5	160.6	-174.2	0	0	0	0	0	112.7	S160 V164 A189 A190 Y243	S160-A193 WeakPolarHBondContact O-CA 3.47Å; V164-A193 HydrophobicContact CB-CB 4.5Å; V164-A193 HydrophobicContact CG2-CB 4.37Å; A189-A193 PolarHBondContact O-N 2.79Å; A190-A193 VanDerWaalsContact O-CB 3.32Å; A190-A193 WeakPolarHBondContact O-CB 3.28Å; A190-A193 PolarHBondContact O-N 2.73Å; A190-A193 VanDerWaalsContact O-N 3.16Å; A193-Y243 HydrophobicContact CB-CE2 4.09Å; A193-Y243 PolarHBondContact O-OH 3.41Å
194	G	97.7	Very high	97.1	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	23%	0.225	S	C	.	.			trans	92	116.8	172.6	0	0	0	0	0	114.3	S160	S160-G194 PolarHBondContact O-N 3.08Å
195	A	98.4	Very high	97.1	Very high	15 Å²	15	32.9 Å²	32.9	12%	0.124	22%	0.221	C	C	.	.			trans	-128.1	133.4	169	0	0	0	0	0	109.4	F156 H157 S160 H208	F156-A195 CarbonylContact C-O 3.54Å; F156-A195 WeakPolarHBondContact CA-O 3.34Å; H157-A195 PolarHBondContact N-O 2.85Å; S160-A195 WeakPolarHBondContact OG-CB 3.37Å; S160-A195 PolarHBondContact OG-N 2.81Å; A195-H208 WeakPolarHBondContact CB-NE2 3.21Å
196	P	97.6	Very high	97.1	Very high	76 Å²	76	33 Å²	33	49%	0.494	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-60.6	145.3	177.6	-24	34	0	0	0	112.8	A198	P196-A198 PolarHBondContact O-N 3.32Å
197	L	94.8	Very high	97.1	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.084	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67	-18.4	-179.9	-169.4	69.1	0	0	0	113.3	P153 R155 H157 N199 A200 Y318	P153-L197 HydrophobicContact CB-CD1 4.34Å; P153-L197 HydrophobicContact CG-CD1 3.9Å; P153-L197 WeakPolarHBondContact O-CD2 3.45Å; R155-L197 WeakPolarHBondContact O-CB 3.26Å; R155-L197 PolarHBondContact O-N 3.21Å; H157-L197 HydrophobicContact CB-CD1 4.5Å; L197-N199 PolarHBondContact O-N 2.98Å; L197-A200 HydrophobicContact CD1-CB 4.01Å; L197-A200 HydrophobicContact CG-CB 4.37Å; L197-A200 WeakPolarHBondContact O-CB 3.45Å; L197-A200 PolarHBondContact O-N 3.44Å; L197-Y318 HydrophobicContact CD1-CE1 4.46Å; L197-Y318 HydrophobicContact CD2-CD1 3.74Å; L197-Y318 HydrophobicContact CD2-CE1 4Å; L197-Y318 HydrophobicContact CD2-CG 4.45Å; L197-Y318 HydrophobicContact CG-CD1 4.32Å
198	A	95.3	Very high	97.1	Very high	92 Å²	92	36.4 Å²	36.4	76%	0.76	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-55	-25.7	-178.8	0	0	0	0	0	113.8	P196	P196-A198 PolarHBondContact O-N 3.32Å
199	N	96.5	Very high	97.1	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.332	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-86.5	2.6	176.4	-82.5	-38.8	0	0	0	114.7	L197 A201 T202 T204 K205	L197-N199 PolarHBondContact O-N 2.98Å; N199-A201 PolarHBondContact O-N 3.22Å; N199-T202 PolarHBondContact O-N 3.42Å; N199-T202 VanDerWaalsContact O-N 3.15Å; N199-T202 PolarHBondContact O-OG1 2.74Å; N199-T202 PolarHBondContact OD1-OG1 2.62Å; N199-T204 HydrophobicContact CB-CG2 4.39Å; N199-K205 WeakPolarHBondContact O-CB 3.15Å; N199-K205 PolarHBondContact O-N 3.02Å
200	A	91.4	Very high	97.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-41.1	-176	0	0	0	0	0	113.1	L197 T202 K205 Y318 H332	L197-A200 HydrophobicContact CD1-CB 4.01Å; L197-A200 HydrophobicContact CG-CB 4.37Å; L197-A200 WeakPolarHBondContact O-CB 3.45Å; L197-A200 PolarHBondContact O-N 3.44Å; A200-T202 VanDerWaalsContact C-N 3.3Å; A200-T202 PolarHBondContact O-N 2.84Å; A200-K205 HydrophobicContact CB-CD 4.32Å; A200-K205 WeakPolarHBondContact O-CB 3.41Å; A200-K205 WeakPolarHBondContact O-CD 3.42Å; A200-Y318 HydrophobicContact CB-CD2 3.95Å; A200-Y318 HydrophobicContact CB-CE2 4.31Å; A200-H332 PolarHBondContact O-CE1 2.83Å; A200-H332 PolarHBondContact O-NE2 3.31Å
201	A	91.9	Very high	97.1	Very high	27 Å²	27	36.9 Å²	36.9	22%	0.223	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	20.9	178.8	0	0	0	0	0	113.3	N199 H328 H332	N199-A201 PolarHBondContact O-N 3.22Å; A201-H328 VanDerWaalsContact O-CB 3.31Å; A201-H328 WeakPolarHBondContact O-CB 3.48Å; A201-H332 HydrophobicContact CB-CB 4.19Å
202	T	96.4	Very high	97.1	Very high	48 Å²	48	32.2 Å²	32.2	29%	0.294	21%	0.205	S	C	.	.	S	Bend	trans	-118.1	170.2	-179.3	81.4	0	0	0	0	111.5	N199 A200 T204 K205	N199-T202 PolarHBondContact O-N 3.42Å; N199-T202 VanDerWaalsContact O-N 3.15Å; N199-T202 PolarHBondContact O-OG1 2.74Å; N199-T202 PolarHBondContact OD1-OG1 2.62Å; A200-T202 VanDerWaalsContact C-N 3.3Å; A200-T202 PolarHBondContact O-N 2.84Å; T202-T204 PolarHBondContact O-N 3.36Å; T202-T204 PolarHBondContact OG1-N 3.05Å; T202-K205 PolarHBondContact O-N 3.35Å
203	Q	97.2	Very high	97.3	Very high	70 Å²	70	29.7 Å²	29.7	33%	0.327	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.7	175	-170.5	167.8	70.8	0	0	113.8	V49 P206 H328	V49-Q203 HydrophobicContact CB-CG 3.8Å; V49-Q203 HydrophobicContact CG2-CG 3.95Å; V49-Q203 WeakPolarHBondContact CG2-O 3.42Å; Q203-P206 WeakPolarHBondContact O-CD 3.3Å; Q203-H328 VanDerWaalsContact CA-CD2 3.5Å; Q203-H328 WeakPolarHBondContact CA-CD2 3.34Å; Q203-H328 WeakPolarHBondContact CA-NE2 3.39Å; Q203-H328 PolarHBondContact N-CD2 3.39Å
204	T	98.5	Very high	97.3	Very high	61 Å²	61	30.2 Å²	30.2	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-19.9	178.9	-55.2	0	0	0	0	112.8	N199 T202 P206 F207	N199-T204 HydrophobicContact CB-CG2 4.39Å; T202-T204 PolarHBondContact O-N 3.36Å; T202-T204 PolarHBondContact OG1-N 3.05Å; T204-P206 VanDerWaalsContact C-CD 3.44Å; T204-P206 VanDerWaalsContact C-N 3.34Å; T204-F207 HydrophobicContact CG2-CB 4.28Å; T204-F207 WeakPolarHBondContact O-CA 3.31Å; T204-F207 WeakPolarHBondContact O-CB 3.22Å; T204-F207 PolarHBondContact O-N 3.29Å
205	K	98.5	Very high	97.4	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.03	18%	0.184	C	C	.	.	H	α-helix	trans	-50.2	-45	179	179.5	177.6	168.6	-173.5	0	113.7	H90 D93 N199 A200 T202 F207 H208 H332	H90-K205 WeakPolarHBondContact NE2-CE 3.46Å; D93-K205 IonicContact OD1-NZ 3.11Å; D93-K205 PolarHBondContact OD1-NZ 3.27Å; D93-K205 IonicContact OD2-NZ 3.44Å; D93-K205 PolarHBondContact OD2-NZ 3.21Å; N199-K205 WeakPolarHBondContact O-CB 3.15Å; N199-K205 PolarHBondContact O-N 3.02Å; A200-K205 HydrophobicContact CB-CD 4.32Å; A200-K205 WeakPolarHBondContact O-CB 3.41Å; A200-K205 WeakPolarHBondContact O-CD 3.42Å; T202-K205 PolarHBondContact O-N 3.35Å; K205-F207 PolarHBondContact O-N 3.13Å; K205-H208 VanDerWaalsContact O-CB 3.26Å; K205-H208 WeakPolarHBondContact O-CB 3.35Å; K205-H208 PolarHBondContact O-N 2.9Å; K205-H332 PolarHBondContact NZ-NE2 2.91Å
206	P	98.8	Very high	97.4	Very high	2 Å²	2	31 Å²	31	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-30.5	177.3	-25.7	37	0	0	0	114	V49 I87 H90 Q203 T204 H208 I209 G210	V49-P206 HydrophobicContact CG1-CB 4.37Å; V49-P206 HydrophobicContact CG1-CG 4.18Å; V49-P206 HydrophobicContact CG2-CB 4.3Å; V49-P206 HydrophobicContact CG2-CG 4.37Å; I87-P206 HydrophobicContact CG2-CB 4.11Å; H90-P206 WeakPolarHBondContact O-CG 3.28Å; Q203-P206 WeakPolarHBondContact O-CD 3.3Å; T204-P206 VanDerWaalsContact C-CD 3.44Å; T204-P206 VanDerWaalsContact C-N 3.34Å; P206-H208 PolarHBondContact O-N 2.7Å; P206-I209 PolarHBondContact O-N 3.19Å; P206-G210 PolarHBondContact O-N 2.84Å
207	F	98.7	Very high	97.5	Very high	66 Å²	66	27.4 Å²	27.4	29%	0.289	16%	0.156	S	C	.	.	H	α-helix	trans	-63	-26.6	176.3	-172.6	-97.4	0	0	0	112.1	L83 I87 T204 K205 I209 N211	L83-F207 HydrophobicContact CD1-CD2 4.18Å; L83-F207 HydrophobicContact CD1-CE2 3.86Å; L83-F207 HydrophobicContact CD2-CE2 4.49Å; I87-F207 HydrophobicContact CD1-CD2 4.02Å; T204-F207 HydrophobicContact CG2-CB 4.28Å; T204-F207 WeakPolarHBondContact O-CA 3.31Å; T204-F207 WeakPolarHBondContact O-CB 3.22Å; T204-F207 PolarHBondContact O-N 3.29Å; K205-F207 PolarHBondContact O-N 3.13Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.49Å; F207-N211 HydrophobicContact CD1-CB 4.08Å; F207-N211 HydrophobicContact CE1-CB 3.81Å; F207-N211 HydrophobicContact CZ-CB 4.2Å; F207-N211 WeakPolarHBondContact O-CB 3.38Å; F207-N211 PolarHBondContact O-N 3Å
208	H	98.9	Very high	97.7	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-43.1	177	-61.1	171.6	0	0	0	111.6	H157 A195 K205 P206 A212	H157-H208 AromaticContact CE1-ND1 3.89Å; H157-H208 AromaticContact CG-ND1 3.51Å; H157-H208 WeakPolarHBondContact ND1-CB 3.39Å; H157-H208 AromaticContact ND1-CG 3.58Å; H157-H208 AromaticContact ND1-ND1 2.98Å; H157-H208 PolarHBondContact ND1-ND1 3.2Å; A195-H208 WeakPolarHBondContact CB-NE2 3.21Å; K205-H208 VanDerWaalsContact O-CB 3.26Å; K205-H208 WeakPolarHBondContact O-CB 3.35Å; K205-H208 PolarHBondContact O-N 2.9Å; P206-H208 PolarHBondContact O-N 2.7Å; H208-A212 VanDerWaalsContact O-CB 3.32Å; H208-A212 WeakPolarHBondContact O-CB 3.38Å; H208-A212 PolarHBondContact O-N 3.35Å
209	I	98.9	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-73.2	-46.7	178.2	-69.5	-70.6	0	0	0	111.5	G86 H90 H103 G106 P159 P206 F207 N211 A212 A213	G86-I209 WeakPolarHBondContact O-CG2 3.31Å; H90-I209 HydrophobicContact CB-CB 3.72Å; H90-I209 HydrophobicContact CB-CG1 3.6Å; H90-I209 HydrophobicContact CB-CG2 4.13Å; H90-I209 VanDerWaalsContact CD2-CG1 3.44Å; H90-I209 WeakPolarHBondContact CD2-CG1 3.5Å; H90-I209 VanDerWaalsContact CG-CG1 3.45Å; H103-I209 HydrophobicContact CB-CD1 4.04Å; G106-I209 VanDerWaalsContact O-CG2 3.25Å; G106-I209 WeakPolarHBondContact O-CG2 3.29Å; P159-I209 HydrophobicContact CB-CD1 3.24Å; P159-I209 HydrophobicContact CB-CG1 4.23Å; P159-I209 HydrophobicContact CG-CD1 4.01Å; P206-I209 PolarHBondContact O-N 3.19Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.49Å; I209-N211 VanDerWaalsContact C-N 3.28Å; I209-N211 PolarHBondContact O-N 3.31Å; I209-A212 WeakPolarHBondContact O-CB 3.36Å; I209-A212 PolarHBondContact O-N 3.43Å; I209-A212 VanDerWaalsContact O-N 3.14Å; I209-A213 PolarHBondContact O-N 3.16Å
210	G	98.9	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-39.7	176.8	0	0	0	0	0	112.4	L83 P206 A213 R214	L83-G210 WeakPolarHBondContact CA-O 3.46Å; L83-G210 WeakPolarHBondContact CD1-O 3.28Å; L83-G210 WeakPolarHBondContact O-CA 3.27Å; P206-G210 PolarHBondContact O-N 2.84Å; G210-A213 PolarHBondContact O-N 2.8Å; G210-R214 WeakPolarHBondContact O-CB 3.45Å; G210-R214 PolarHBondContact O-N 3.24Å
211	N	98.8	Very high	98.3	Very high	34 Å²	34	26 Å²	26	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-36.2	175.9	-164.8	50.9	0	0	0	111.5	F207 I209 R214 R215	F207-N211 HydrophobicContact CD1-CB 4.08Å; F207-N211 HydrophobicContact CE1-CB 3.81Å; F207-N211 HydrophobicContact CZ-CB 4.2Å; F207-N211 WeakPolarHBondContact O-CB 3.38Å; F207-N211 PolarHBondContact O-N 3Å; I209-N211 VanDerWaalsContact C-N 3.28Å; I209-N211 PolarHBondContact O-N 3.31Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 PolarHBondContact OD1-NE 3.45Å; N211-R214 PolarHBondContact OD1-NH2 2.96Å; N211-R215 WeakPolarHBondContact O-CB 3.39Å; N211-R215 WeakPolarHBondContact O-CG 3.43Å; N211-R215 PolarHBondContact O-N 3.36Å; N211-R215 VanDerWaalsContact OD1-CG 3.26Å; N211-R215 WeakPolarHBondContact OD1-CG 3.49Å
212	A	98.9	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-49	172	0	0	0	0	0	112.2	A107 P159 V164 S167 H208 I209 R214 G216	A107-A212 HydrophobicContact CB-CB 3.92Å; P159-A212 WeakPolarHBondContact O-CB 3.2Å; V164-A212 HydrophobicContact CG2-CB 3.92Å; S167-A212 WeakPolarHBondContact CB-O 3.2Å; S167-A212 PolarHBondContact OG-O 2.9Å; H208-A212 VanDerWaalsContact O-CB 3.32Å; H208-A212 WeakPolarHBondContact O-CB 3.38Å; H208-A212 PolarHBondContact O-N 3.35Å; I209-A212 WeakPolarHBondContact O-CB 3.36Å; I209-A212 PolarHBondContact O-N 3.43Å; I209-A212 VanDerWaalsContact O-N 3.14Å; A212-R214 PolarHBondContact O-N 3.47Å; A212-G216 PolarHBondContact O-N 2.59Å; A212-G216 VanDerWaalsContact O-N 3.11Å
213	A	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-50.7	175.4	0	0	0	0	0	111.6	A82 A107 P110 A111 S167 I209 G210 L217	A82-A213 HydrophobicContact CB-CB 4.2Å; A107-A213 VanDerWaalsContact O-CA 3.27Å; A107-A213 WeakPolarHBondContact O-CA 3.42Å; A107-A213 WeakPolarHBondContact O-CB 3.11Å; P110-A213 HydrophobicContact CB-CB 4.33Å; A111-A213 HydrophobicContact CB-CB 4.32Å; S167-A213 PolarHBondContact OG-O 3.38Å; I209-A213 PolarHBondContact O-N 3.16Å; G210-A213 PolarHBondContact O-N 2.8Å; A213-L217 WeakPolarHBondContact O-CB 3.39Å; A213-L217 PolarHBondContact O-N 3.4Å
214	R	98.8	Very high	98.8	Very high	22 Å²	22	25.5 Å²	25.5	8%	0.083	12%	0.119	C	C	.	.	H	α-helix	trans	-59.6	-53.8	179.5	178.1	177	69.5	158.1	5.2	113.2	C79 L83 G210 N211 A212 L217 E218	C79-R214 HydrophobicContact CB-CG 4.03Å; C79-R214 WeakPolarHBondContact O-CB 3.39Å; C79-R214 VanDerWaalsContact O-CG 3.32Å; C79-R214 WeakPolarHBondContact O-CG 3.27Å; L83-R214 HydrophobicContact CB-CB 4.14Å; G210-R214 WeakPolarHBondContact O-CB 3.45Å; G210-R214 PolarHBondContact O-N 3.24Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 PolarHBondContact OD1-NE 3.45Å; N211-R214 PolarHBondContact OD1-NH2 2.96Å; A212-R214 PolarHBondContact O-N 3.47Å; R214-L217 PolarHBondContact O-N 3.49Å; R214-E218 WeakPolarHBondContact O-CB 3.29Å; R214-E218 PolarHBondContact O-N 3.35Å
215	R	98.9	Very high	98.8	Very high	58 Å²	58	30.4 Å²	30.4	22%	0.219	14%	0.14	C	C	.	.	H	α-helix	trans	-72.3	-34	-169.9	-66.2	-73	102	154.2	-3.2	111.8	V164 N211 E218 A219	V164-R215 HydrophobicContact CG1-CB 3.92Å; N211-R215 WeakPolarHBondContact O-CB 3.39Å; N211-R215 WeakPolarHBondContact O-CG 3.43Å; N211-R215 PolarHBondContact O-N 3.36Å; N211-R215 VanDerWaalsContact OD1-CG 3.26Å; N211-R215 WeakPolarHBondContact OD1-CG 3.49Å; R215-E218 IonicContact CZ-OE2 2.65Å; R215-E218 IonicContact NE-OE2 3.63Å; R215-E218 PolarHBondContact NE-OE2 3.32Å; R215-E218 IonicContact NH1-OE2 2.88Å; R215-E218 IonicContact NH2-OE1 3.59Å; R215-E218 IonicContact NH2-OE2 2.87Å; R215-E218 PolarHBondContact NH2-OE2 3.02Å; R215-A219 WeakPolarHBondContact O-CB 3.49Å; R215-A219 PolarHBondContact O-N 3.44Å
216	G	98.9	Very high	98.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-44.1	174	0	0	0	0	0	112.6	V164 S167 A168 A212 E218 A219 A220	V164-G216 WeakPolarHBondContact O-CA 3.14Å; S167-G216 WeakPolarHBondContact OG-CA 3.47Å; A168-G216 VanDerWaalsContact CA-O 3.3Å; A168-G216 WeakPolarHBondContact CA-O 3.3Å; A212-G216 PolarHBondContact O-N 2.59Å; A212-G216 VanDerWaalsContact O-N 3.11Å; G216-E218 VanDerWaalsContact C-N 3.33Å; G216-E218 PolarHBondContact O-N 3.41Å; G216-A219 PolarHBondContact O-N 2.76Å; G216-A220 PolarHBondContact O-N 3.38Å
217	L	98.9	Very high	98.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-45.4	174.1	176.2	59.1	0	0	0	111.9	P78 A82 A111 L115 S167 A213 R214 A220 R221	P78-L217 HydrophobicContact CB-CD2 4.29Å; A82-L217 HydrophobicContact CB-CD2 4.32Å; A111-L217 HydrophobicContact CB-CB 4.3Å; L115-L217 HydrophobicContact CB-CD1 3.78Å; L115-L217 HydrophobicContact CD1-CD1 4.02Å; L115-L217 HydrophobicContact CD2-CD1 3.86Å; L115-L217 HydrophobicContact CG-CD1 4.09Å; S167-L217 PolarHBondContact OG-N 3.04Å; S167-L217 VanDerWaalsContact OG-N 3.16Å; A213-L217 WeakPolarHBondContact O-CB 3.39Å; A213-L217 PolarHBondContact O-N 3.4Å; R214-L217 PolarHBondContact O-N 3.49Å; L217-A220 PolarHBondContact O-N 3.04Å; L217-R221 PolarHBondContact O-N 3.11Å; L217-R221 VanDerWaalsContact O-N 3.11Å
218	E	98.8	Very high	98.8	Very high	63 Å²	63	40.3 Å²	40.3	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-43.7	176	-176.2	173.5	-169.8	0	0	112.1	R214 R215 G216 A220 R221 L222	R214-E218 WeakPolarHBondContact O-CB 3.29Å; R214-E218 PolarHBondContact O-N 3.35Å; R215-E218 IonicContact CZ-OE2 2.65Å; R215-E218 IonicContact NE-OE2 3.63Å; R215-E218 PolarHBondContact NE-OE2 3.32Å; R215-E218 IonicContact NH1-OE2 2.88Å; R215-E218 IonicContact NH2-OE1 3.59Å; R215-E218 IonicContact NH2-OE2 2.87Å; R215-E218 PolarHBondContact NH2-OE2 3.02Å; G216-E218 VanDerWaalsContact C-N 3.33Å; G216-E218 PolarHBondContact O-N 3.41Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 3.43Å; E218-R221 PolarHBondContact O-N 3.17Å; E218-L222 HydrophobicContact CG-CD1 4.09Å; E218-L222 HydrophobicContact CG-CG 4.5Å; E218-L222 WeakPolarHBondContact O-CG 3.49Å; E218-L222 PolarHBondContact O-N 3.11Å
219	A	98.9	Very high	98.8	Very high	2 Å²	2	41 Å²	41	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-42	177.1	0	0	0	0	0	112.6	A168 I188 A189 R215 G216 L222 A223	A168-A219 HydrophobicContact CB-CB 4.39Å; I188-A219 HydrophobicContact CB-CB 4.01Å; I188-A219 HydrophobicContact CG2-CB 3.75Å; A189-A219 HydrophobicContact CB-CB 3.87Å; R215-A219 WeakPolarHBondContact O-CB 3.49Å; R215-A219 PolarHBondContact O-N 3.44Å; G216-A219 PolarHBondContact O-N 2.76Å; A219-L222 PolarHBondContact O-N 3.34Å; A219-A223 WeakPolarHBondContact O-CB 3.47Å; A219-A223 PolarHBondContact O-N 3.4Å
220	A	98.9	Very high	98.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.9	0	0	0	0	0	112.3	A172 L175 L177 A185 G216 L217 E218 A223 Q224	A172-A220 HydrophobicContact CB-CB 4.32Å; L175-A220 HydrophobicContact CD1-CB 4.1Å; L177-A220 WeakPolarHBondContact CD1-O 3.47Å; A185-A220 HydrophobicContact CB-CB 4.46Å; G216-A220 PolarHBondContact O-N 3.38Å; L217-A220 PolarHBondContact O-N 3.04Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 3.43Å; A220-A223 PolarHBondContact O-N 2.81Å; A220-Q224 WeakPolarHBondContact O-CB 3.29Å; A220-Q224 PolarHBondContact O-N 3.22Å
221	R	98.6	Very high	98.6	Very high	76 Å²	76	48.8 Å²	48.8	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-40.7	174.8	-74.5	-65.8	-167.5	169.7	6.6	112.4	L115 T118 L217 E218 Q224 M225	L115-R221 VanDerWaalsContact CD1-NH2 3.3Å; T118-R221 PolarHBondContact OG1-NH2 2.98Å; L217-R221 PolarHBondContact O-N 3.11Å; L217-R221 VanDerWaalsContact O-N 3.11Å; E218-R221 PolarHBondContact O-N 3.17Å; R221-Q224 WeakPolarHBondContact O-CB 3.28Å; R221-Q224 PolarHBondContact O-N 3.42Å; R221-M225 WeakPolarHBondContact O-CG 3.16Å; R221-M225 PolarHBondContact O-N 3.34Å
222	L	98.9	Very high	98.5	Very high	62 Å²	62	49.4 Å²	49.4	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-43.5	175.3	-71.9	169.8	0	0	0	111.5	I188 E218 A219 Q224 M225 G226 L227	I188-L222 HydrophobicContact CD1-CB 4.09Å; I188-L222 HydrophobicContact CG2-CD1 4.02Å; E218-L222 HydrophobicContact CG-CD1 4.09Å; E218-L222 HydrophobicContact CG-CG 4.5Å; E218-L222 WeakPolarHBondContact O-CG 3.49Å; E218-L222 PolarHBondContact O-N 3.11Å; A219-L222 PolarHBondContact O-N 3.34Å; L222-Q224 VanDerWaalsContact C-N 3.33Å; L222-Q224 PolarHBondContact O-N 3.08Å; L222-M225 CarbonylContact O-C 3.56Å; L222-M225 PolarHBondContact O-N 2.97Å; L222-M225 VanDerWaalsContact O-N 3.13Å; L222-G226 PolarHBondContact O-N 2.8Å; L222-L227 HydrophobicContact CB-CB 4.12Å; L222-L227 HydrophobicContact CB-CD2 3.94Å; L222-L227 HydrophobicContact CD1-CD2 4.08Å; L222-L227 HydrophobicContact CD2-CD2 4.33Å; L222-L227 HydrophobicContact CG-CD2 4.35Å; L222-L227 WeakPolarHBondContact O-CB 3.35Å; L222-L227 PolarHBondContact O-N 2.89Å
223	A	98.9	Very high	98.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-37.3	173.8	0	0	0	0	0	112.5	L177 Q181 H184 A185 I188 A219 A220 M225 G226	L177-A223 HydrophobicContact CD1-CB 4.47Å; Q181-A223 PolarHBondContact NE2-O 2.98Å; Q181-A223 WeakPolarHBondContact O-CB 3.3Å; H184-A223 HydrophobicContact CB-CB 4.25Å; A185-A223 HydrophobicContact CB-CB 3.81Å; I188-A223 HydrophobicContact CD1-CB 4.11Å; A219-A223 WeakPolarHBondContact O-CB 3.47Å; A219-A223 PolarHBondContact O-N 3.4Å; A220-A223 PolarHBondContact O-N 2.81Å; A223-M225 PolarHBondContact O-N 3.08Å; A223-G226 PolarHBondContact O-N 3.21Å
224	Q	98.6	Very high	98.5	Very high	72 Å²	72	50.6 Å²	50.6	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-37.2	172.6	-173.5	177.4	46.9	0	0	111.7	L177 Q181 A220 R221 L222 G226	L177-Q224 HydrophobicContact CD2-CB 3.77Å; L177-Q224 HydrophobicContact CD2-CG 3.82Å; Q181-Q224 PolarHBondContact NE2-O 2.71Å; A220-Q224 WeakPolarHBondContact O-CB 3.29Å; A220-Q224 PolarHBondContact O-N 3.22Å; R221-Q224 WeakPolarHBondContact O-CB 3.28Å; R221-Q224 PolarHBondContact O-N 3.42Å; L222-Q224 VanDerWaalsContact C-N 3.33Å; L222-Q224 PolarHBondContact O-N 3.08Å; Q224-G226 PolarHBondContact O-N 2.65Å
225	M	98.5	Very high	98.5	Very high	164 Å²	164	52 Å²	52	81%	0.808	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0.5	176.8	-63.8	-176.5	77.8	0	0	114	R221 L222 A223	R221-M225 WeakPolarHBondContact O-CG 3.16Å; R221-M225 PolarHBondContact O-N 3.34Å; L222-M225 CarbonylContact O-C 3.56Å; L222-M225 PolarHBondContact O-N 2.97Å; L222-M225 VanDerWaalsContact O-N 3.13Å; A223-M225 PolarHBondContact O-N 3.08Å
226	G	98.6	Very high	98.4	Very high	50 Å²	50	52.6 Å²	52.6	52%	0.515	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	14	177	0	0	0	0	0	115	L222 A223 Q224 E228	L222-G226 PolarHBondContact O-N 2.8Å; A223-G226 PolarHBondContact O-N 3.21Å; Q224-G226 PolarHBondContact O-N 2.65Å; G226-E228 PolarHBondContact O-N 2.73Å
227	L	98.8	Very high	98.3	Very high	87 Å²	87	58 Å²	58	46%	0.455	32%	0.316	S	S	.	.			trans	-66.7	130.4	167.5	-175.2	63.6	0	0	0	109.3	I188 L222	I188-L227 HydrophobicContact CD1-CB 3.92Å; I188-L227 HydrophobicContact CD1-CD2 3.86Å; I188-L227 HydrophobicContact CD1-CG 3.86Å; I188-L227 WeakPolarHBondContact CD1-O 3.38Å; I188-L227 HydrophobicContact CG1-CD2 4.09Å; I188-L227 HydrophobicContact CG1-CG 4.28Å; I188-L227 HydrophobicContact CG2-CD2 4.49Å; L222-L227 HydrophobicContact CB-CB 4.12Å; L222-L227 HydrophobicContact CB-CD2 3.94Å; L222-L227 HydrophobicContact CD1-CD2 4.08Å; L222-L227 HydrophobicContact CD2-CD2 4.33Å; L222-L227 HydrophobicContact CG-CD2 4.35Å; L222-L227 WeakPolarHBondContact O-CB 3.35Å; L222-L227 PolarHBondContact O-N 2.89Å
228	E	98.6	Very high	98.2	Very high	145 Å²	145	63.5 Å²	63.5	68%	0.678	35%	0.35	S	S	*	.			trans	-104.2	156.2	-179.7	-62.9	-179.5	-175.6	0	0	111.5	G226	G226-E228 PolarHBondContact O-N 2.73Å
229	G	98.2	Very high	98.2	Very high	24 Å²	24	61 Å²	61	25%	0.247	34%	0.341	C	S	.	.			trans	-141.1	176.3	173.4	0	0	0	0	0	110.5	H184	H184-G229 PolarHBondContact ND1-N 2.82Å; H184-G229 PolarHBondContact ND1-O 2.84Å
230	N	98	Very high	98.1	Very high	70 Å²	70	61 Å²	61	37%	0.374	34%	0.34	S	S	.	.			trans	-58.2	123.1	-175	-171.4	-39.1	0	0	0	111.6	S232 M233	N230-S232 PolarHBondContact O-N 2.83Å; N230-S232 VanDerWaalsContact O-N 3.11Å; N230-S232 PolarHBondContact OD1-N 3.23Å; N230-M233 HydrophobicContact CB-CE 4.08Å; N230-M233 PolarHBondContact O-N 3.24Å
231	P	95.9	Very high	98	Very high	92 Å²	92	61.2 Å²	61.2	60%	0.597	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.9	-176.6	30.5	-37.4	0	0	0	113.9	T7	T7-P231 WeakPolarHBondContact CB-O 3.42Å; T7-P231 WeakPolarHBondContact CG2-O 3.12Å
232	S	97.6	Very high	98	Very high	48 Å²	48	61.2 Å²	61.2	34%	0.336	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	24.8	179	-58.7	0	0	0	0	111.9	T7 N230 L234 D235 M236	T7-S232 VanDerWaalsContact OG1-C 3.23Å; T7-S232 WeakPolarHBondContact OG1-CA 3.45Å; N230-S232 PolarHBondContact O-N 2.83Å; N230-S232 VanDerWaalsContact O-N 3.11Å; N230-S232 PolarHBondContact OD1-N 3.23Å; S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact O-N 2.93Å; S232-D235 WeakPolarHBondContact CA-OD2 3.35Å; S232-D235 WeakPolarHBondContact O-CB 3.4Å; S232-D235 PolarHBondContact O-N 3.39Å; S232-M236 WeakPolarHBondContact O-CG 3.26Å; S232-M236 PolarHBondContact O-N 2.84Å
233	M	98.4	Very high	97.9	Very high	24 Å²	24	60 Å²	60	12%	0.118	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-38	-174.4	-176.2	59.9	74.9	0	0	114	T7 A187 A190 N230 G239 L240	T7-M233 PolarHBondContact OG1-N 3.44Å; T7-M233 VanDerWaalsContact OG1-N 3.14Å; A187-M233 HydrophobicContact CB-CB 4.03Å; A187-M233 HydrophobicContact CB-CE 4.38Å; A187-M233 HydrophobicContact CB-CG 4.43Å; A190-M233 HydrophobicContact CB-CE 4.25Å; A190-M233 HydrophobicContact CB-CG 3.58Å; A190-M233 HydrophobicContact CB-SD 3.81Å; N230-M233 HydrophobicContact CB-CE 4.08Å; N230-M233 PolarHBondContact O-N 3.24Å; M233-G239 WeakPolarHBondContact O-CA 3.36Å; M233-L240 PolarHBondContact O-N 2.69Å
234	L	98.6	Very high	97.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.2	177.9	-55.4	-173	0	0	0	113.1	V6 T7 F10 L142 M165 L186 S232 L240 Y247 P249	V6-L234 HydrophobicContact CB-CB 4.43Å; V6-L234 HydrophobicContact CG1-CB 3.9Å; V6-L234 HydrophobicContact CG1-CD1 4.44Å; T7-L234 HydrophobicContact CG2-CG 4.45Å; T7-L234 WeakPolarHBondContact OG1-CB 3.41Å; T7-L234 PolarHBondContact OG1-N 3.45Å; F10-L234 HydrophobicContact CB-CD1 3.91Å; F10-L234 HydrophobicContact CD1-CD1 3.91Å; F10-L234 HydrophobicContact CD2-CD1 3.77Å; F10-L234 HydrophobicContact CE1-CD1 4.37Å; F10-L234 HydrophobicContact CE2-CD1 4.26Å; F10-L234 HydrophobicContact CG-CD1 3.58Å; L142-L234 HydrophobicContact CD2-CD1 3.99Å; L142-L234 HydrophobicContact CD2-CD2 3.95Å; M165-L234 HydrophobicContact CE-CD2 3.72Å; L186-L234 HydrophobicContact CD1-CD1 4.29Å; S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact O-N 2.93Å; L234-L240 HydrophobicContact CD2-CB 4.1Å; L234-L240 HydrophobicContact CD2-CD2 3.65Å; L234-L240 HydrophobicContact CD2-CG 4.41Å; L234-Y247 WeakPolarHBondContact O-CE1 3.34Å; L234-Y247 PolarHBondContact O-OH 3.15Å; L234-P249 VanDerWaalsContact O-CB 3.28Å; L234-P249 WeakPolarHBondContact O-CB 3.19Å
235	D	98.4	Very high	97.7	Very high	52 Å²	52	63 Å²	63	28%	0.278	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.6	-173.6	-58.2	-114.6	0	0	0	111.8	G5 V6 T7 S232	G5-D235 WeakPolarHBondContact CA-OD1 3.37Å; V6-D235 PolarHBondContact N-OD1 2.65Å; T7-D235 WeakPolarHBondContact CB-OD2 3.46Å; T7-D235 PolarHBondContact N-OD2 3.48Å; T7-D235 PolarHBondContact OG1-OD2 3.1Å; S232-D235 WeakPolarHBondContact CA-OD2 3.35Å; S232-D235 WeakPolarHBondContact O-CB 3.4Å; S232-D235 PolarHBondContact O-N 3.39Å
236	M	96.9	Very high	97.6	Very high	70 Å²	70	58.2 Å²	58.2	35%	0.345	33%	0.332	S	S	.	.			trans	-106.5	140.1	-165.2	-60.6	173.5	79.5	0	0	112.7	S232 V238 G239 G241	S232-M236 WeakPolarHBondContact O-CG 3.26Å; S232-M236 PolarHBondContact O-N 2.84Å; M236-V238 HydrophobicContact CB-CG2 4.14Å; M236-V238 HydrophobicContact CE-CG2 3.67Å; M236-V238 PolarHBondContact O-N 3.44Å; M236-G239 WeakPolarHBondContact O-CA 3.25Å; M236-G239 PolarHBondContact O-N 3.07Å; M236-G241 PolarHBondContact O-N 3.28Å
237	D	96.9	Very high	97.6	Very high	115 Å²	115	57 Å²	57	62%	0.615	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-34.2	169.9	-67.8	-41.4	0	0	0	112.3	G239 G241 V242	D237-G239 VanDerWaalsContact C-N 3.27Å; D237-G241 CarbonylContact O-C 3.2Å; D237-G241 WeakPolarHBondContact O-CA 3.23Å; D237-V242 WeakPolarHBondContact O-CG1 3.21Å; D237-V242 PolarHBondContact O-N 2.89Å
238	V	97.2	Very high	97.5	Very high	117 Å²	117	56.9 Å²	56.9	71%	0.709	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.6	174.3	-60.1	0	0	0	0	113.4	M236	M236-V238 HydrophobicContact CB-CG2 4.14Å; M236-V238 HydrophobicContact CE-CG2 3.67Å; M236-V238 PolarHBondContact O-N 3.44Å
239	G	97.8	Very high	97.5	Very high	11 Å²	11	52 Å²	52	11%	0.113	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-125.6	171.7	0	0	0	0	0	110.6	M233 M236 D237 G241 V242	M233-G239 WeakPolarHBondContact O-CA 3.36Å; M236-G239 WeakPolarHBondContact O-CA 3.25Å; M236-G239 PolarHBondContact O-N 3.07Å; D237-G239 VanDerWaalsContact C-N 3.27Å; G239-G241 PolarHBondContact O-N 2.91Å; G239-V242 WeakPolarHBondContact O-CG1 3.46Å; G239-V242 VanDerWaalsContact O-CG2 3.32Å; G239-V242 WeakPolarHBondContact O-CG2 3.25Å; G239-V242 PolarHBondContact O-N 3.41Å
240	L	97.8	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-62.8	-21.9	175.2	-166.9	74	0	0	0	112.5	L142 I161 M165 A190 M233 L234 V242 Y243 Y244	L142-L240 HydrophobicContact CD1-CD2 4.11Å; L142-L240 HydrophobicContact CD2-CD2 3.81Å; L142-L240 HydrophobicContact CG-CD2 4.38Å; I161-L240 HydrophobicContact CG2-CD1 4.09Å; M165-L240 HydrophobicContact CE-CD1 4.4Å; M165-L240 HydrophobicContact SD-CD1 4.4Å; A190-L240 HydrophobicContact CB-CD1 4.37Å; M233-L240 PolarHBondContact O-N 2.69Å; L234-L240 HydrophobicContact CD2-CB 4.1Å; L234-L240 HydrophobicContact CD2-CD2 3.65Å; L234-L240 HydrophobicContact CD2-CG 4.41Å; L240-V242 PolarHBondContact O-N 2.9Å; L240-V242 VanDerWaalsContact O-N 3.11Å; L240-Y243 HydrophobicContact CD1-CD2 3.85Å; L240-Y243 HydrophobicContact CD1-CE2 4.06Å; L240-Y243 HydrophobicContact CG-CD2 4.39Å; L240-Y243 WeakPolarHBondContact O-CD2 3.25Å; L240-Y243 PolarHBondContact O-N 3.37Å; L240-Y244 HydrophobicContact CD2-CE2 4.36Å; L240-Y244 HydrophobicContact CG-CE2 4.3Å
241	G	97.8	Very high	97.3	Very high	5 Å²	5	54.5 Å²	54.5	5%	0.052	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-58.9	-22.2	179.7	0	0	0	0	0	114.9	M236 D237 G239 Y243 Y244 Y247	M236-G241 PolarHBondContact O-N 3.28Å; D237-G241 CarbonylContact O-C 3.2Å; D237-G241 WeakPolarHBondContact O-CA 3.23Å; G239-G241 PolarHBondContact O-N 2.91Å; G241-Y243 PolarHBondContact O-N 3.26Å; G241-Y244 PolarHBondContact O-N 2.81Å; G241-Y247 VanDerWaalsContact CA-CD1 3.42Å; G241-Y247 VanDerWaalsContact CA-CG 3.4Å
242	V	97.8	Very high	97.2	Very high	77 Å²	77	50.8 Å²	50.8	47%	0.467	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-58.3	-23.6	178.7	-58.9	0	0	0	0	113.3	D237 G239 L240	D237-V242 WeakPolarHBondContact O-CG1 3.21Å; D237-V242 PolarHBondContact O-N 2.89Å; G239-V242 WeakPolarHBondContact O-CG1 3.46Å; G239-V242 VanDerWaalsContact O-CG2 3.32Å; G239-V242 WeakPolarHBondContact O-CG2 3.25Å; G239-V242 PolarHBondContact O-N 3.41Å; L240-V242 PolarHBondContact O-N 2.9Å; L240-V242 VanDerWaalsContact O-N 3.11Å
243	Y	97.5	Very high	96.8	Very high	35 Å²	35	50.6 Å²	50.6	14%	0.137	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-86.7	-9.2	179.9	-58	-64.5	0	0	0	113.9	R155 F156 I161 A190 A193 L240 G241	R155-Y243 PolarHBondContact NH2-O 3.07Å; F156-Y243 HydrophobicContact CD1-CD1 4.32Å; F156-Y243 HydrophobicContact CD2-CD1 4.09Å; F156-Y243 HydrophobicContact CE1-CD1 4.27Å; F156-Y243 HydrophobicContact CE1-CE1 4.5Å; F156-Y243 HydrophobicContact CE2-CD1 4.03Å; F156-Y243 HydrophobicContact CG-CD1 4.24Å; F156-Y243 HydrophobicContact CZ-CD1 4.13Å; I161-Y243 HydrophobicContact CD1-CD1 4.17Å; I161-Y243 HydrophobicContact CD1-CG 3.98Å; I161-Y243 HydrophobicContact CG1-CD1 4.08Å; I161-Y243 HydrophobicContact CG1-CD2 4.46Å; I161-Y243 HydrophobicContact CG1-CG 3.97Å; I161-Y243 HydrophobicContact CG2-CD2 3.93Å; I161-Y243 HydrophobicContact CG2-CG 4.12Å; A190-Y243 PolarHBondContact O-OH 3.22Å; A193-Y243 HydrophobicContact CB-CE2 4.09Å; A193-Y243 PolarHBondContact O-OH 3.41Å; L240-Y243 HydrophobicContact CD1-CD2 3.85Å; L240-Y243 HydrophobicContact CD1-CE2 4.06Å; L240-Y243 HydrophobicContact CG-CD2 4.39Å; L240-Y243 WeakPolarHBondContact O-CD2 3.25Å; L240-Y243 PolarHBondContact O-N 3.37Å; G241-Y243 PolarHBondContact O-N 3.26Å
244	Y	97.3	Very high	95.9	Very high	19 Å²	19	54.3 Å²	54.3	8%	0.075	31%	0.308	C	S	.	.			trans	-117.3	152.3	-174.5	-63.6	-78	0	0	0	112	L142 E148 A149 R155 V162 L240 G241 Y247	L142-Y244 PolarHBondContact O-OH 3.4Å; E148-Y244 WeakPolarHBondContact OE1-CA 3.49Å; A149-Y244 HydrophobicContact CB-CE1 4.45Å; R155-Y244 PolarHBondContact NH2-O 3.28Å; V162-Y244 VanDerWaalsContact CG1-OH 3.28Å; V162-Y244 WeakPolarHBondContact CG1-OH 3.48Å; L240-Y244 HydrophobicContact CD2-CE2 4.36Å; L240-Y244 HydrophobicContact CG-CE2 4.3Å; G241-Y244 PolarHBondContact O-N 2.81Å; Y244-Y247 AromaticContact CD2-CD2 3.47Å; Y244-Y247 HydrophobicContact CD2-CD2 3.47Å; Y244-Y247 VanDerWaalsContact CD2-CD2 3.47Å; Y244-Y247 AromaticContact CD2-CE2 3.64Å; Y244-Y247 HydrophobicContact CD2-CE2 3.64Å; Y244-Y247 HydrophobicContact CE2-CD2 4.25Å; Y244-Y247 HydrophobicContact CE2-CE2 4.01Å; Y244-Y247 AromaticContact CG-CD2 3.9Å; Y244-Y247 HydrophobicContact CG-CD2 3.9Å; Y244-Y247 HydrophobicContact CG-CE2 4.47Å
245	K	95.6	Very high	95	Very high	117 Å²	117	55 Å²	55	51%	0.509	31%	0.313	S	S	.	.	S	Bend	trans	-84.8	-41.7	178	-75.6	-179.3	-165.1	163.6	0	110.9	E148 E154 R155	E148-K245 PolarHBondContact OE1-N 3.47Å; E148-K245 WeakPolarHBondContact OE2-CD 3.44Å; E148-K245 VanDerWaalsContact OE2-CE 3.26Å; E148-K245 WeakPolarHBondContact OE2-CE 3.43Å; E148-K245 WeakPolarHBondContact OE2-CG 3.2Å; E148-K245 IonicContact OE2-NZ 3.79Å; E154-K245 IonicContact OE2-NZ 3.78Å; E154-K245 PolarHBondContact OE2-NZ 3.22Å; R155-K245 VanDerWaalsContact NE-CE 3.35Å
246	D	95.9	Very high	93.8	Very high	64 Å²	64	56.9 Å²	56.9	34%	0.342	34%	0.335	S	S	.	.	S	Bend	trans	-125.4	65.5	-174.3	62.8	-35.9	0	0	0	109.5	S146 R147 E148 S248	S146-D246 WeakPolarHBondContact CB-OD1 3.48Å; S146-D246 PolarHBondContact OG-OD1 2.64Å; R147-D246 WeakPolarHBondContact CB-OD2 3.2Å; R147-D246 WeakPolarHBondContact CG-OD2 3.49Å; R147-D246 PolarHBondContact N-OD1 2.66Å; R147-D246 PolarHBondContact N-OD2 2.9Å; E148-D246 PolarHBondContact N-OD1 3.32Å; D246-S248 PolarHBondContact O-N 3.12Å
247	Y	98.1	Very high	92.4	Very high	25 Å²	25	56.8 Å²	56.8	10%	0.098	34%	0.341	C	S	.	.			trans	-70.2	124.1	-176.1	-165.2	-120.7	0	0	0	111.7	F145 L234 G241 Y244 P249	F145-Y247 HydrophobicContact CB-CD2 4.02Å; F145-Y247 HydrophobicContact CB-CE2 3.74Å; F145-Y247 AromaticContact CD2-CE2 3.69Å; F145-Y247 HydrophobicContact CD2-CE2 3.69Å; F145-Y247 AromaticContact CD2-CZ 3.83Å; F145-Y247 WeakPolarHBondContact CD2-OH 3.29Å; F145-Y247 HydrophobicContact CG-CE2 4.23Å; F145-Y247 CarbonylContact O-C 3.54Å; F145-Y247 WeakPolarHBondContact O-CA 3.41Å; L234-Y247 WeakPolarHBondContact O-CE1 3.34Å; L234-Y247 PolarHBondContact O-OH 3.15Å; G241-Y247 VanDerWaalsContact CA-CD1 3.42Å; G241-Y247 VanDerWaalsContact CA-CG 3.4Å; Y244-Y247 AromaticContact CD2-CD2 3.47Å; Y244-Y247 HydrophobicContact CD2-CD2 3.47Å; Y244-Y247 VanDerWaalsContact CD2-CD2 3.47Å; Y244-Y247 AromaticContact CD2-CE2 3.64Å; Y244-Y247 HydrophobicContact CD2-CE2 3.64Å; Y244-Y247 HydrophobicContact CE2-CD2 4.25Å; Y244-Y247 HydrophobicContact CE2-CE2 4.01Å; Y244-Y247 AromaticContact CG-CD2 3.9Å; Y244-Y247 HydrophobicContact CG-CD2 3.9Å; Y244-Y247 HydrophobicContact CG-CE2 4.47Å; Y247-P249 HydrophobicContact CD1-CG 4.15Å; Y247-P249 HydrophobicContact CE1-CB 3.91Å; Y247-P249 HydrophobicContact CE1-CG 3.72Å
248	S	98.2	Very high	91	Very high	85 Å²	85	55 Å²	55	59%	0.594	35%	0.35	S	S	*	.			trans	-142.5	77.7	-176.9	-166.1	0	0	0	0	109	F145 D246	F145-S248 WeakPolarHBondContact CA-O 3.36Å; F145-S248 PolarHBondContact O-N 3.23Å; D246-S248 PolarHBondContact O-N 3.12Å
249	P	97.6	Very high	89.8	Confident	41 Å²	41	52.9 Å²	52.9	27%	0.266	34%	0.344	S	S	.	.			trans	-70.8	149.1	-175.6	30.9	-35.7	0	0	0	111.5	V6 F145 L234 Y247	V6-P249 HydrophobicContact CG1-CB 4.18Å; V6-P249 HydrophobicContact CG2-CB 4.16Å; F145-P249 HydrophobicContact CD2-CB 3.86Å; F145-P249 HydrophobicContact CE2-CB 3.8Å; F145-P249 HydrophobicContact CG-CB 4.27Å; F145-P249 HydrophobicContact CZ-CB 4.2Å; L234-P249 VanDerWaalsContact O-CB 3.28Å; L234-P249 WeakPolarHBondContact O-CB 3.19Å; Y247-P249 HydrophobicContact CD1-CG 4.15Å; Y247-P249 HydrophobicContact CE1-CB 3.91Å; Y247-P249 HydrophobicContact CE1-CG 3.72Å
250	S	96.6	Very high	89.4	Confident	66 Å²	66	53.4 Å²	53.4	46%	0.462	34%	0.344	S	S	.	.			trans	-138.8	149.3	177.6	54.9	0	0	0	0	111	V6 F145	V6-S250 WeakPolarHBondContact CG1-O 3.04Å; F145-S250 WeakPolarHBondContact CE1-O 3.46Å; F145-S250 WeakPolarHBondContact CE1-OG 3.3Å; F145-S250 VanDerWaalsContact CZ-O 3.24Å; F145-S250 WeakPolarHBondContact CZ-O 3.44Å
251	T	96	Very high	89.2	Confident	81 Å²	81	60.1 Å²	60.1	50%	0.497	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-69	154.2	-179.1	53.9	0	0	0	0	111.9	V6 S9	V6-T251 HydrophobicContact CG2-CG2 4.11Å; S9-T251 WeakPolarHBondContact OG-CA 3.39Å
252	M	93.4	Very high	89.2	Confident	15 Å²	15	60 Å²	60	7%	0.074	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-64.2	144.6	169.6	-73.2	-66.1	-79.5	0	0	111	S9 F10 A13 E137 R141 F260	S9-M252 PolarHBondContact OG-N 2.94Å; F10-M252 HydrophobicContact CB-CG 4.38Å; F10-M252 HydrophobicContact CD1-CG 4.2Å; F10-M252 HydrophobicContact CD1-SD 4.2Å; F10-M252 HydrophobicContact CD2-CG 3.5Å; F10-M252 VanDerWaalsContact CD2-CG 3.5Å; F10-M252 HydrophobicContact CD2-SD 4.23Å; F10-M252 HydrophobicContact CE1-CG 4.39Å; F10-M252 HydrophobicContact CE1-SD 3.92Å; F10-M252 HydrophobicContact CE2-CG 3.69Å; F10-M252 HydrophobicContact CE2-SD 3.94Å; F10-M252 HydrophobicContact CG-CG 3.77Å; F10-M252 HydrophobicContact CG-SD 4.36Å; F10-M252 HydrophobicContact CZ-CG 4.16Å; F10-M252 HydrophobicContact CZ-SD 3.8Å; A13-M252 HydrophobicContact CB-CB 3.9Å; A13-M252 HydrophobicContact CB-CE 3.75Å; A13-M252 HydrophobicContact CB-CG 3.87Å; E137-M252 HydrophobicContact CG-CE 4.12Å; R141-M252 HydrophobicContact CB-SD 4.19Å; R141-M252 HydrophobicContact CG-CE 4.4Å; R141-M252 HydrophobicContact CG-SD 3.69Å; M252-F260 HydrophobicContact CE-CE2 4.02Å; M252-F260 HydrophobicContact CE-CZ 4.21Å
253	P	88.6	Confident	89.2	Confident	44 Å²	44	56.7 Å²	56.7	29%	0.286	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-57.7	146.4	168.3	-20.9	32.3	0	0	0	111.4	C255 F260	P253-C255 PolarHBondContact O-N 3.27Å; P253-C255 VanDerWaalsContact O-N 3.16Å; P253-F260 HydrophobicContact CB-CD2 4.24Å
254	D	80.8	Confident	89.2	Confident	101 Å²	101	55.1 Å²	55.1	54%	0.54	34%	0.341	S	S	.	.			trans	-68.3	111.8	179.2	-178.5	8.2	0	0	0	111.5	A256 S257	D254-A256 PolarHBondContact O-N 2.87Å; D254-A256 WeakPolarHBondContact OD1-CB 3.41Å; D254-A256 PolarHBondContact OD1-N 2.95Å; D254-S257 PolarHBondContact O-N 3.02Å; D254-S257 PolarHBondContact O-OG 2.53Å
255	C	79.2	Confident	89.2	Confident	16 Å²	16	56.8 Å²	56.8	11%	0.108	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-62.9	-23.1	178.5	-56.4	0	0	0	0	113.6	L17 P253	L17-C255 HydrophobicContact CD2-CB 4.41Å; P253-C255 PolarHBondContact O-N 3.27Å; P253-C255 VanDerWaalsContact O-N 3.16Å
256	A	71.9	Confident	89.2	Confident	90 Å²	90	55.8 Å²	55.8	74%	0.744	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-83.3	-17	-179.1	0	0	0	0	0	113.3	D254 G258	D254-A256 PolarHBondContact O-N 2.87Å; D254-A256 WeakPolarHBondContact OD1-CB 3.41Å; D254-A256 PolarHBondContact OD1-N 2.95Å; A256-G258 PolarHBondContact O-N 3.46Å
257	S	68	Low	89.4	Confident	69 Å²	69	54 Å²	54	48%	0.483	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-75.1	-3.1	-174.3	68.5	0	0	0	0	114.6	D254 A259	D254-S257 PolarHBondContact O-N 3.02Å; D254-S257 PolarHBondContact O-OG 2.53Å; S257-A259 PolarHBondContact O-N 3.2Å; S257-A259 VanDerWaalsContact O-N 3.12Å; S257-A259 PolarHBondContact OG-N 3.29Å
258	G	67.9	Low	89.4	Confident	77 Å²	77	53.7 Å²	53.7	79%	0.794	34%	0.339	S	S	*	.	S	Bend	trans	68.8	-1.3	-172.4	0	0	0	0	0	114.3	A256	A256-G258 PolarHBondContact O-N 3.46Å
259	A	72.6	Confident	89.4	Confident	72 Å²	72	49.7 Å²	49.7	60%	0.595	31%	0.311	S	S	*	.			trans	-104.2	15.4	-176.9	0	0	0	0	0	113.3	S257 R261	S257-A259 PolarHBondContact O-N 3.2Å; S257-A259 VanDerWaalsContact O-N 3.12Å; S257-A259 PolarHBondContact OG-N 3.29Å; A259-R261 PolarHBondContact O-N 3.48Å
260	F	89.8	Confident	89.5	Confident	22 Å²	22	47.8 Å²	47.8	10%	0.096	30%	0.298	C	S	.	.			trans	-67.3	117.2	177.2	-170.9	-90	0	0	0	109.8	L17 E137 M252 P253 W262	L17-F260 HydrophobicContact CD1-CE1 4.24Å; L17-F260 HydrophobicContact CD1-CE2 4.31Å; L17-F260 HydrophobicContact CD1-CZ 3.82Å; L17-F260 HydrophobicContact CD2-CD1 3.71Å; L17-F260 HydrophobicContact CD2-CD2 4.12Å; L17-F260 HydrophobicContact CD2-CE1 3.63Å; L17-F260 HydrophobicContact CD2-CE2 4.05Å; L17-F260 HydrophobicContact CD2-CG 3.96Å; L17-F260 HydrophobicContact CD2-CZ 3.81Å; L17-F260 HydrophobicContact CG-CZ 4.41Å; E137-F260 HydrophobicContact CG-CZ 4.02Å; M252-F260 HydrophobicContact CE-CE2 4.02Å; M252-F260 HydrophobicContact CE-CZ 4.21Å; P253-F260 HydrophobicContact CB-CD2 4.24Å; F260-W262 HydrophobicContact CD1-CD2 4.36Å; F260-W262 HydrophobicContact CD1-CG 4.47Å; F260-W262 AromaticContact CE1-CD2 3.63Å; F260-W262 HydrophobicContact CE1-CD2 3.63Å; F260-W262 AromaticContact CE1-CE2 3.68Å; F260-W262 AromaticContact CE1-CE3 3.91Å; F260-W262 HydrophobicContact CE1-CE3 3.91Å; F260-W262 HydrophobicContact CE1-CG 4.02Å; F260-W262 HydrophobicContact CE1-CH2 4.31Å; F260-W262 HydrophobicContact CE1-CZ2 4.05Å; F260-W262 HydrophobicContact CE1-CZ3 4.23Å
261	R	93.2	Very high	89.6	Confident	142 Å²	142	44.7 Å²	44.7	54%	0.536	28%	0.277	S	S	.	.			trans	-115.7	118.4	179.2	-164	-178.9	-174.5	157.7	-3.8	109.5	R141 A259 E265 D266	R141-R261 PolarHBondContact NH2-O 2.78Å; A259-R261 PolarHBondContact O-N 3.48Å; R261-E265 WeakPolarHBondContact CG-OE2 3.48Å; R261-E265 IonicContact NE-OE2 3.43Å; R261-D266 WeakPolarHBondContact CD-OD2 3.36Å; R261-D266 IonicContact CZ-OD1 3.15Å; R261-D266 IonicContact CZ-OD2 2.9Å; R261-D266 IonicContact NE-OD1 3.13Å; R261-D266 PolarHBondContact NE-OD1 3.5Å; R261-D266 IonicContact NE-OD2 3.99Å; R261-D266 PolarHBondContact NE-OD2 3.17Å; R261-D266 IonicContact NH2-OD1 2.9Å; R261-D266 PolarHBondContact NH2-OD1 2.63Å; R261-D266 IonicContact NH2-OD2 3.38Å
262	W	97.2	Very high	89.7	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	25%	0.253	C	S	.	.			trans	-67	139.8	176.2	-61.5	89.9	0	0	0	110.1	L17 Q21 L22 V26 N133 V134 E137 F260 L264 E265	L17-W262 HydrophobicContact CD1-CH2 3.87Å; L17-W262 HydrophobicContact CD1-CZ3 4.29Å; L17-W262 HydrophobicContact CD2-CH2 4.29Å; L17-W262 HydrophobicContact CD2-CZ2 4.12Å; L17-W262 HydrophobicContact CG-CH2 4.48Å; Q21-W262 HydrophobicContact CB-CZ2 4.39Å; Q21-W262 PolarHBondContact O-NE1 2.96Å; L22-W262 HydrophobicContact CD2-CZ2 4.01Å; V26-W262 HydrophobicContact CG1-CG 4.44Å; V26-W262 HydrophobicContact CG2-CB 3.61Å; V26-W262 HydrophobicContact CG2-CG 3.67Å; N133-W262 HydrophobicContact CB-CE3 4.24Å; N133-W262 HydrophobicContact CB-CH2 4.04Å; N133-W262 HydrophobicContact CB-CZ3 3.81Å; N133-W262 WeakPolarHBondContact O-CZ3 3.44Å; V134-W262 HydrophobicContact CG2-CH2 4.09Å; E137-W262 HydrophobicContact CB-CE3 3.75Å; E137-W262 HydrophobicContact CB-CZ3 3.67Å; E137-W262 HydrophobicContact CG-CE3 3.93Å; E137-W262 HydrophobicContact CG-CZ3 4.03Å; F260-W262 HydrophobicContact CD1-CD2 4.36Å; F260-W262 HydrophobicContact CD1-CG 4.47Å; F260-W262 AromaticContact CE1-CD2 3.63Å; F260-W262 HydrophobicContact CE1-CD2 3.63Å; F260-W262 AromaticContact CE1-CE2 3.68Å; F260-W262 AromaticContact CE1-CE3 3.91Å; F260-W262 HydrophobicContact CE1-CE3 3.91Å; F260-W262 HydrophobicContact CE1-CG 4.02Å; F260-W262 HydrophobicContact CE1-CH2 4.31Å; F260-W262 HydrophobicContact CE1-CZ2 4.05Å; F260-W262 HydrophobicContact CE1-CZ3 4.23Å; W262-L264 PolarHBondContact O-N 3.23Å; W262-E265 HydrophobicContact CB-CG 4.19Å; W262-E265 WeakPolarHBondContact O-CB 3.13Å; W262-E265 PolarHBondContact O-N 3.49Å
263	I	97.9	Very high	90	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-35.9	173.9	-68.2	168.2	0	0	0	110.4	W98 E137 R141 R144 E265 D266 Q267	W98-I263 HydrophobicContact CH2-CB 3.94Å; W98-I263 HydrophobicContact CH2-CG2 3.56Å; W98-I263 HydrophobicContact CZ2-CB 4.07Å; W98-I263 HydrophobicContact CZ2-CG2 3.43Å; W98-I263 VanDerWaalsContact CZ2-CG2 3.43Å; E137-I263 PolarHBondContact OE2-N 3.44Å; R141-I263 HydrophobicContact CB-CD1 4.4Å; R141-I263 HydrophobicContact CG-CD1 3.65Å; R144-I263 VanDerWaalsContact CZ-CG2 3.44Å; I263-E265 PolarHBondContact O-N 3.07Å; I263-E265 VanDerWaalsContact O-N 3.1Å; I263-D266 PolarHBondContact O-N 3.36Å; I263-Q267 HydrophobicContact CG2-CB 4.27Å; I263-Q267 PolarHBondContact O-N 2.89Å
264	L	98.3	Very high	90.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-11.4	179.8	-166.8	61.8	0	0	0	112.8	V26 R29 M33 W98 W262	V26-L264 HydrophobicContact CG1-CD2 4.39Å; R29-L264 HydrophobicContact CB-CD1 4.17Å; R29-L264 HydrophobicContact CB-CD2 3.83Å; R29-L264 HydrophobicContact CB-CG 3.86Å; R29-L264 WeakPolarHBondContact CD-O 3.32Å; R29-L264 PolarHBondContact NH1-O 3.4Å; M33-L264 HydrophobicContact SD-CD1 3.88Å; M33-L264 HydrophobicContact SD-CD2 3.78Å; W98-L264 HydrophobicContact CZ2-CB 4.42Å; W98-L264 HydrophobicContact CZ2-CD1 4.25Å; W262-L264 PolarHBondContact O-N 3.23Å
265	E	96.6	Very high	91.2	Very high	53 Å²	53	38 Å²	38	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-75.9	-32.7	170.2	-70.2	-179.8	171.9	0	0	112.8	T23 V26 R29 R261 W262 I263	T23-E265 VanDerWaalsContact CB-OE1 3.29Å; T23-E265 WeakPolarHBondContact CB-OE1 2.94Å; T23-E265 WeakPolarHBondContact CG2-OE1 3.46Å; T23-E265 PolarHBondContact OG1-OE1 3.33Å; V26-E265 HydrophobicContact CG2-CG 3.53Å; R29-E265 PolarHBondContact NH1-O 2.99Å; R261-E265 WeakPolarHBondContact CG-OE2 3.48Å; R261-E265 IonicContact NE-OE2 3.43Å; W262-E265 HydrophobicContact CB-CG 4.19Å; W262-E265 WeakPolarHBondContact O-CB 3.13Å; W262-E265 PolarHBondContact O-N 3.49Å; I263-E265 PolarHBondContact O-N 3.07Å; I263-E265 VanDerWaalsContact O-N 3.1Å
266	D	96.5	Very high	92.1	Very high	97 Å²	97	37.3 Å²	37.3	52%	0.519	22%	0.224	S	C	.	.	H	α-helix	trans	-101	-23.1	-174.5	-63.9	-28.7	0	0	0	112.6	R261 I263	R261-D266 WeakPolarHBondContact CD-OD2 3.36Å; R261-D266 IonicContact CZ-OD1 3.15Å; R261-D266 IonicContact CZ-OD2 2.9Å; R261-D266 IonicContact NE-OD1 3.13Å; R261-D266 PolarHBondContact NE-OD1 3.5Å; R261-D266 IonicContact NE-OD2 3.99Å; R261-D266 PolarHBondContact NE-OD2 3.17Å; R261-D266 IonicContact NH2-OD1 2.9Å; R261-D266 PolarHBondContact NH2-OD1 2.63Å; R261-D266 IonicContact NH2-OD2 3.38Å; I263-D266 PolarHBondContact O-N 3.36Å
267	Q	98.5	Very high	93.4	Very high	26 Å²	26	33.2 Å²	33.2	12%	0.121	19%	0.19	C	C	.	.			trans	-132.9	103.6	-176	-179.5	59.2	71.2	0	0	110.3	W98 H99 I263 W409	W98-Q267 PolarHBondContact NE1-O 3.44Å; H99-Q267 HydrophobicContact CB-CG 3.96Å; H99-Q267 WeakPolarHBondContact O-CG 3.35Å; I263-Q267 HydrophobicContact CG2-CB 4.27Å; I263-Q267 PolarHBondContact O-N 2.89Å; Q267-W409 VanDerWaalsContact NE2-CG 3.33Å
268	D	98.6	Very high	94.9	Very high	19 Å²	19	30 Å²	30	10%	0.102	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-74.6	167.1	172.6	-149.3	-16.8	0	0	0	111.7	R29 W409	R29-D268 WeakPolarHBondContact CD-OD1 3.44Å; R29-D268 IonicContact CZ-OD2 3.38Å; R29-D268 IonicContact NE-OD1 2.63Å; R29-D268 IonicContact NE-OD2 3.53Å; R29-D268 PolarHBondContact NE-OD2 2.9Å; R29-D268 IonicContact NH2-OD2 2.72Å; D268-W409 HydrophobicContact CB-CB 3.97Å
269	V	98.8	Very high	96.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-88.1	159.9	172.1	-63.9	0	0	0	0	111.6	M33 D96 W98 P104 F271	M33-V269 HydrophobicContact CE-CG1 3.86Å; M33-V269 HydrophobicContact CG-CG1 4.12Å; M33-V269 HydrophobicContact CG-CG2 3.66Å; M33-V269 HydrophobicContact SD-CG1 3.91Å; M33-V269 HydrophobicContact SD-CG2 4.33Å; D96-V269 HydrophobicContact CB-CB 4.39Å; D96-V269 HydrophobicContact CB-CG2 4.46Å; W98-V269 HydrophobicContact CB-CG1 4.22Å; W98-V269 VanDerWaalsContact CD1-CG1 3.45Å; W98-V269 HydrophobicContact CG-CG1 3.91Å; P104-V269 HydrophobicContact CG-CG1 4.44Å; V269-F271 HydrophobicContact CG2-CD1 4.45Å; V269-F271 HydrophobicContact CG2-CD2 4.39Å; V269-F271 HydrophobicContact CG2-CE1 3.79Å; V269-F271 HydrophobicContact CG2-CE2 3.71Å; V269-F271 HydrophobicContact CG2-CZ 3.37Å
270	A	98.9	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-96.7	131.4	165.9	0	0	0	0	0	109.8	D96 T97 L278 G407 W409	D96-A270 WeakPolarHBondContact CA-O 3.43Å; T97-A270 PolarHBondContact N-O 2.76Å; T97-A270 PolarHBondContact O-N 3.04Å; A270-L278 HydrophobicContact CB-CD1 4.01Å; A270-L278 HydrophobicContact CB-CD2 4.1Å; A270-G407 CarbonylContact C-O 2.94Å; A270-G407 WeakPolarHBondContact CA-O 3.5Å; A270-W409 HydrophobicContact CB-CE3 3.68Å; A270-W409 HydrophobicContact CB-CZ3 3.94Å
271	F	98.9	Very high	97.9	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-100.4	123.2	172.3	-65.9	-63.2	0	0	0	109.9	R32 M33 D36 D96 V269 G407 L413 L418	R32-F271 HydrophobicContact CB-CE2 3.97Å; R32-F271 HydrophobicContact CB-CZ 3.79Å; M33-F271 HydrophobicContact CG-CE1 4.48Å; M33-F271 HydrophobicContact CG-CZ 4.14Å; D36-F271 HydrophobicContact CB-CD1 3.63Å; D36-F271 HydrophobicContact CB-CE1 3.49Å; D36-F271 VanDerWaalsContact CB-CE1 3.49Å; D36-F271 WeakPolarHBondContact OD2-CD1 3.44Å; D96-F271 HydrophobicContact CB-CD1 4.14Å; D96-F271 HydrophobicContact CB-CE1 4.02Å; V269-F271 HydrophobicContact CG2-CD1 4.45Å; V269-F271 HydrophobicContact CG2-CD2 4.39Å; V269-F271 HydrophobicContact CG2-CE1 3.79Å; V269-F271 HydrophobicContact CG2-CE2 3.71Å; V269-F271 HydrophobicContact CG2-CZ 3.37Å; F271-G407 PolarHBondContact N-O 3.02Å; F271-G407 WeakPolarHBondContact O-CA 3.21Å; F271-L413 HydrophobicContact CB-CD1 3.74Å; F271-L413 HydrophobicContact CB-CG 4.15Å; F271-L418 HydrophobicContact CB-CD1 4.35Å; F271-L418 HydrophobicContact CD1-CD1 4.12Å; F271-L418 HydrophobicContact CD2-CD1 4.11Å; F271-L418 HydrophobicContact CE1-CD1 4.48Å; F271-L418 HydrophobicContact CE2-CD1 4.48Å; F271-L418 HydrophobicContact CE2-CD2 4.29Å; F271-L418 HydrophobicContact CG-CD1 3.92Å; F271-L418 HydrophobicContact CZ-CD2 4.46Å
272	K	98.9	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-72.4	138.7	180	-70.5	176.4	-179.2	165.1	0	110.1	D93 F94 D95 T97 H103 A276 L278 H281 K421	D93-K272 VanDerWaalsContact C-NZ 3.29Å; D93-K272 WeakPolarHBondContact O-CD 3.39Å; D93-K272 WeakPolarHBondContact O-CE 3.29Å; D93-K272 PolarHBondContact O-NZ 2.7Å; D93-K272 IonicContact OD1-NZ 2.77Å; D93-K272 PolarHBondContact OD1-NZ 2.72Å; F94-K272 HydrophobicContact CD2-CB 3.81Å; F94-K272 HydrophobicContact CE2-CB 4.2Å; F94-K272 VanDerWaalsContact CE2-O 3.25Å; F94-K272 WeakPolarHBondContact CE2-O 3.37Å; D95-K272 WeakPolarHBondContact O-CD 3.41Å; D95-K272 WeakPolarHBondContact O-CE 3.34Å; D95-K272 IonicContact OD1-NZ 3.43Å; T97-K272 WeakPolarHBondContact OG1-CE 3.44Å; H103-K272 PolarHBondContact CE1-NZ 3.21Å; K272-A276 WeakPolarHBondContact CD-O 3.28Å; K272-A276 VanDerWaalsContact CE-O 3.28Å; K272-A276 WeakPolarHBondContact CE-O 3.18Å; K272-L278 HydrophobicContact CG-CD1 3.74Å; K272-H281 VanDerWaalsContact CA-NE2 3.29Å; K272-H281 WeakPolarHBondContact CA-NE2 3.47Å; K272-H281 VanDerWaalsContact CB-NE2 3.32Å; K272-H281 WeakPolarHBondContact CB-NE2 3.35Å; K272-K421 WeakPolarHBondContact O-CE 3.39Å; K272-K421 PolarHBondContact O-NZ 3.21Å
273	R	98.2	Very high	98.2	Very high	91 Å²	91	15.1 Å²	15.1	34%	0.343	7%	0.071	S	C	.	.	S	Bend	trans	-90.4	-28	167.3	-69	-175.9	-71.1	136.7	3	113.3	H281 D285 Y406 L413	R273-H281 PolarHBondContact N-CD2 2.9Å; R273-H281 PolarHBondContact N-NE2 3.4Å; R273-H281 VanDerWaalsContact N-NE2 3.16Å; R273-D285 IonicContact CZ-OD1 2.7Å; R273-D285 IonicContact NH1-OD1 2.82Å; R273-D285 VanDerWaalsContact NH2-CG 3.29Å; R273-D285 IonicContact NH2-OD1 3.12Å; R273-D285 PolarHBondContact NH2-OD1 2.97Å; R273-D285 IonicContact NH2-OD2 3.34Å; R273-D285 PolarHBondContact NH2-OD2 3.49Å; R273-D285 VanDerWaalsContact NH2-OD2 3.15Å; R273-Y406 WeakPolarHBondContact CD-O 3.28Å; R273-Y406 PolarHBondContact NE-O 3.37Å; R273-L413 HydrophobicContact CG-CD2 4Å
274	I	98	Very high	98.3	Very high	11 Å²	11	15 Å²	15	6%	0.056	7%	0.071	C	C	.	.	S	Bend	trans	-118.8	143.2	178	65.4	175.8	0	0	0	110.1	A276 M280 H281 V284 V347	I274-A276 HydrophobicContact CD1-CB 4.29Å; I274-A276 HydrophobicContact CG1-CB 4.24Å; I274-A276 PolarHBondContact O-N 2.98Å; I274-M280 HydrophobicContact CD1-CB 4.15Å; I274-H281 WeakPolarHBondContact CG1-CE1 3.41Å; I274-H281 WeakPolarHBondContact CG1-NE2 3.35Å; I274-H281 PolarHBondContact N-NE2 3.42Å; I274-H281 PolarHBondContact O-CE1 2.91Å; I274-H281 VanDerWaalsContact O-CE1 3.31Å; I274-H281 PolarHBondContact O-NE2 3.24Å; I274-V284 HydrophobicContact CD1-CB 4.46Å; I274-V284 HydrophobicContact CD1-CG2 3.76Å; I274-V347 HydrophobicContact CB-CG1 4.23Å; I274-V347 HydrophobicContact CD1-CB 4.32Å; I274-V347 HydrophobicContact CD1-CG1 4.16Å; I274-V347 HydrophobicContact CG2-CB 4.04Å; I274-V347 HydrophobicContact CG2-CG1 4.25Å; I274-V347 WeakPolarHBondContact CG2-O 3.5Å
275	P	98.1	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-76.2	68.6	179.2	29.6	-34.6	0	0	0	111.7	M92 F94 R331 V349 F352	M92-P275 HydrophobicContact CB-CB 4.03Å; M92-P275 HydrophobicContact CE-CB 4.16Å; M92-P275 HydrophobicContact CE-CG 4.31Å; M92-P275 CarbonylContact O-C 3.56Å; M92-P275 WeakPolarHBondContact O-CB 2.96Å; F94-P275 HydrophobicContact CB-CB 3.82Å; F94-P275 HydrophobicContact CD1-CB 3.49Å; F94-P275 VanDerWaalsContact CD1-CB 3.49Å; F94-P275 HydrophobicContact CD1-CG 4.17Å; F94-P275 HydrophobicContact CD2-CB 4.29Å; F94-P275 HydrophobicContact CE1-CB 4.01Å; F94-P275 HydrophobicContact CE1-CG 4.21Å; F94-P275 HydrophobicContact CG-CB 3.63Å; P275-R331 WeakPolarHBondContact O-CD 3.4Å; P275-R331 WeakPolarHBondContact O-CG 3.49Å; P275-R331 PolarHBondContact O-NH1 3.4Å; P275-V349 HydrophobicContact CG-CG2 4.04Å; P275-F352 HydrophobicContact CG-CD2 3.94Å; P275-F352 HydrophobicContact CG-CE2 3.76Å
276	A	98.4	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-146.7	169.6	-179	0	0	0	0	0	110.5	D93 K272 I274 L278 M280 F352	D93-A276 PolarHBondContact O-N 3.37Å; K272-A276 WeakPolarHBondContact CD-O 3.28Å; K272-A276 VanDerWaalsContact CE-O 3.28Å; K272-A276 WeakPolarHBondContact CE-O 3.18Å; I274-A276 HydrophobicContact CD1-CB 4.29Å; I274-A276 HydrophobicContact CG1-CB 4.24Å; I274-A276 PolarHBondContact O-N 2.98Å; A276-L278 PolarHBondContact O-N 3.27Å; A276-M280 HydrophobicContact CB-CB 4.02Å; A276-M280 HydrophobicContact CB-CG 3.94Å; A276-F352 HydrophobicContact CB-CE1 4.33Å; A276-F352 HydrophobicContact CB-CZ 3.86Å
277	H	98.4	Very high	98.5	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.023	4%	0.042	C	C	.	.			trans	-51.9	138.1	173.2	-174.9	-87.2	0	0	0	110.6	D93 A279 M280 Y318 I319 R331 F381	D93-H277 VanDerWaalsContact OD2-CA 3.3Å; D93-H277 WeakPolarHBondContact OD2-CA 3.29Å; D93-H277 PolarHBondContact OD2-N 2.92Å; H277-A279 VanDerWaalsContact ND1-CB 3.32Å; H277-A279 WeakPolarHBondContact ND1-CB 3.35Å; H277-A279 PolarHBondContact ND1-N 3.47Å; H277-A279 PolarHBondContact O-N 2.91Å; H277-M280 HydrophobicContact CB-CE 4.37Å; H277-M280 HydrophobicContact CB-CG 4.29Å; H277-M280 VanDerWaalsContact O-CB 3.27Å; H277-M280 WeakPolarHBondContact O-CB 3.4Å; H277-M280 VanDerWaalsContact O-CG 3.27Å; H277-M280 WeakPolarHBondContact O-CG 3.16Å; H277-M280 PolarHBondContact O-N 3.18Å; H277-Y318 AromaticContact CD2-CE2 3.82Å; H277-Y318 AromaticContact NE2-CE2 3.85Å; H277-Y318 AromaticContact NE2-CZ 3.63Å; H277-Y318 PolarHBondContact NE2-OH 3.27Å; H277-I319 HydrophobicContact CB-CG2 4.26Å; H277-R331 PolarHBondContact N-O 3.25Å; H277-F381 AromaticContact CE1-CE1 3.67Å; H277-F381 AromaticContact CE1-CZ 3.6Å; H277-F381 AromaticContact NE2-CZ 3.88Å
278	L	98.6	Very high	98.4	Very high	2 Å²	2	11 Å²	11	1%	0.01	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.8	-170.4	-164.9	73.6	0	0	0	113.4	T97 A270 K272 A276 M280 H281 W282 F381 F405	T97-L278 HydrophobicContact CG2-CB 4.41Å; T97-L278 HydrophobicContact CG2-CD2 3.73Å; A270-L278 HydrophobicContact CB-CD1 4.01Å; A270-L278 HydrophobicContact CB-CD2 4.1Å; K272-L278 HydrophobicContact CG-CD1 3.74Å; A276-L278 PolarHBondContact O-N 3.27Å; L278-M280 PolarHBondContact O-N 3.43Å; L278-M280 VanDerWaalsContact O-N 3.13Å; L278-H281 PolarHBondContact O-N 2.8Å; L278-H281 VanDerWaalsContact O-N 3.1Å; L278-H281 PolarHBondContact O-ND1 3.01Å; L278-W282 HydrophobicContact CB-CZ3 4.47Å; L278-W282 HydrophobicContact CD2-CH2 4.08Å; L278-W282 HydrophobicContact CD2-CZ3 4.05Å; L278-W282 HydrophobicContact CG-CH2 4.37Å; L278-W282 HydrophobicContact CG-CZ3 3.88Å; L278-W282 VanDerWaalsContact O-CE3 3.27Å; L278-W282 WeakPolarHBondContact O-CZ3 3.23Å; L278-F381 HydrophobicContact CB-CD1 4.32Å; L278-F381 HydrophobicContact CB-CE1 3.87Å; L278-F381 HydrophobicContact CB-CZ 4.03Å; L278-F381 HydrophobicContact CD2-CB 4.25Å; L278-F381 HydrophobicContact CD2-CD1 3.89Å; L278-F381 HydrophobicContact CD2-CD2 4.08Å; L278-F381 HydrophobicContact CD2-CE1 4.24Å; L278-F381 HydrophobicContact CD2-CE2 4.4Å; L278-F381 HydrophobicContact CD2-CG 3.82Å; L278-F381 HydrophobicContact CD2-CZ 4.48Å; L278-F405 HydrophobicContact CD1-CE2 4.4Å; L278-F405 HydrophobicContact CD1-CZ 3.66Å; L278-F405 HydrophobicContact CD2-CZ 4.48Å; L278-F405 HydrophobicContact CG-CE1 4.33Å; L278-F405 HydrophobicContact CG-CZ 3.93Å
279	A	97.8	Very high	98.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.3	-26.8	176.4	0	0	0	0	0	113.8	H277 H281 I319 F334 F381 M384	H277-A279 VanDerWaalsContact ND1-CB 3.32Å; H277-A279 WeakPolarHBondContact ND1-CB 3.35Å; H277-A279 PolarHBondContact ND1-N 3.47Å; H277-A279 PolarHBondContact O-N 2.91Å; A279-H281 VanDerWaalsContact C-N 3.26Å; A279-H281 PolarHBondContact O-N 2.92Å; A279-I319 HydrophobicContact CB-CD1 3.67Å; A279-F334 HydrophobicContact CB-CE1 3.83Å; A279-F334 HydrophobicContact CB-CZ 4.31Å; A279-F381 HydrophobicContact CB-CE1 4.5Å; A279-M384 HydrophobicContact CB-CE 3.62Å; A279-M384 HydrophobicContact CB-SD 4.25Å
280	M	98.3	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.5	-26.8	179.6	-57.1	-54.1	128.3	0	0	112.3	I274 A276 H277 L278 L283 V284 I319 F334 N337	I274-M280 HydrophobicContact CD1-CB 4.15Å; A276-M280 HydrophobicContact CB-CB 4.02Å; A276-M280 HydrophobicContact CB-CG 3.94Å; H277-M280 HydrophobicContact CB-CE 4.37Å; H277-M280 HydrophobicContact CB-CG 4.29Å; H277-M280 VanDerWaalsContact O-CB 3.27Å; H277-M280 WeakPolarHBondContact O-CB 3.4Å; H277-M280 VanDerWaalsContact O-CG 3.27Å; H277-M280 WeakPolarHBondContact O-CG 3.16Å; H277-M280 PolarHBondContact O-N 3.18Å; L278-M280 PolarHBondContact O-N 3.43Å; L278-M280 VanDerWaalsContact O-N 3.13Å; M280-L283 WeakPolarHBondContact O-CB 3.41Å; M280-L283 PolarHBondContact O-N 3.28Å; M280-L283 VanDerWaalsContact O-N 3.13Å; M280-V284 WeakPolarHBondContact O-CG2 3.45Å; M280-V284 PolarHBondContact O-N 2.82Å; M280-I319 HydrophobicContact CE-CB 3.85Å; M280-I319 HydrophobicContact CE-CD1 3.93Å; M280-I319 HydrophobicContact CE-CG1 4.24Å; M280-I319 HydrophobicContact CE-CG2 4.48Å; M280-F334 HydrophobicContact CE-CD1 3.31Å; M280-F334 HydrophobicContact CE-CE1 3.59Å; M280-F334 HydrophobicContact CE-CG 3.94Å; M280-F334 HydrophobicContact CE-CZ 4.37Å; M280-F334 VanDerWaalsContact SD-CA 3.58Å; M280-F334 HydrophobicContact SD-CD1 3.76Å; M280-F334 HydrophobicContact SD-CE1 4.45Å; M280-F334 HydrophobicContact SD-CG 4.4Å; M280-N337 HydrophobicContact CB-CB 4.05Å; M280-N337 HydrophobicContact CG-CB 4.23Å; M280-N337 HydrophobicContact SD-CB 4.02Å
281	H	98.8	Very high	98.1	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-67.7	-38.8	-178.6	-61	60.4	0	0	0	112.4	K272 R273 I274 L278 A279 L283 D285 F405	K272-H281 VanDerWaalsContact CA-NE2 3.29Å; K272-H281 WeakPolarHBondContact CA-NE2 3.47Å; K272-H281 VanDerWaalsContact CB-NE2 3.32Å; K272-H281 WeakPolarHBondContact CB-NE2 3.35Å; R273-H281 PolarHBondContact N-CD2 2.9Å; R273-H281 PolarHBondContact N-NE2 3.4Å; R273-H281 VanDerWaalsContact N-NE2 3.16Å; I274-H281 WeakPolarHBondContact CG1-CE1 3.41Å; I274-H281 WeakPolarHBondContact CG1-NE2 3.35Å; I274-H281 PolarHBondContact N-NE2 3.42Å; I274-H281 PolarHBondContact O-CE1 2.91Å; I274-H281 VanDerWaalsContact O-CE1 3.31Å; I274-H281 PolarHBondContact O-NE2 3.24Å; L278-H281 PolarHBondContact O-N 2.8Å; L278-H281 VanDerWaalsContact O-N 3.1Å; L278-H281 PolarHBondContact O-ND1 3.01Å; A279-H281 VanDerWaalsContact C-N 3.26Å; A279-H281 PolarHBondContact O-N 2.92Å; H281-L283 VanDerWaalsContact C-N 3.27Å; H281-L283 PolarHBondContact O-N 2.92Å; H281-D285 PolarHBondContact O-N 3.2Å; H281-F405 HydrophobicContact CB-CB 4.23Å; H281-F405 HydrophobicContact CB-CD1 3.72Å; H281-F405 HydrophobicContact CB-CD2 3.39Å; H281-F405 HydrophobicContact CB-CE1 3.88Å; H281-F405 HydrophobicContact CB-CE2 3.57Å; H281-F405 HydrophobicContact CB-CG 3.49Å; H281-F405 VanDerWaalsContact CB-CG 3.49Å; H281-F405 HydrophobicContact CB-CZ 3.81Å; H281-F405 AromaticContact CD2-CE2 3.79Å; H281-F405 AromaticContact CG-CE2 3.82Å
282	W	98.8	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-41.2	170.4	-75.8	-93.3	0	0	0	111.2	L278 A286 F381 M384 C386 C402 N403 F405 H408	L278-W282 HydrophobicContact CB-CZ3 4.47Å; L278-W282 HydrophobicContact CD2-CH2 4.08Å; L278-W282 HydrophobicContact CD2-CZ3 4.05Å; L278-W282 HydrophobicContact CG-CH2 4.37Å; L278-W282 HydrophobicContact CG-CZ3 3.88Å; L278-W282 VanDerWaalsContact O-CE3 3.27Å; L278-W282 WeakPolarHBondContact O-CZ3 3.23Å; W282-A286 WeakPolarHBondContact O-CB 3.39Å; W282-A286 PolarHBondContact O-N 3.06Å; W282-F381 HydrophobicContact CH2-CB 4.09Å; W282-F381 HydrophobicContact CH2-CD1 4.02Å; W282-F381 HydrophobicContact CH2-CG 4.47Å; W282-F381 WeakPolarHBondContact CH2-O 3.38Å; W282-F381 VanDerWaalsContact CZ2-O 3.29Å; W282-F381 WeakPolarHBondContact CZ2-O 3.22Å; W282-F381 AromaticContact CZ3-CD1 3.96Å; W282-F381 HydrophobicContact CZ3-CD1 3.96Å; W282-M384 HydrophobicContact CD2-CE 4.45Å; W282-M384 HydrophobicContact CD2-CG 4.39Å; W282-M384 HydrophobicContact CE3-CE 4.15Å; W282-M384 HydrophobicContact CE3-SD 4.25Å; W282-M384 HydrophobicContact CH2-CG 4.19Å; W282-M384 HydrophobicContact CH2-SD 4.29Å; W282-M384 HydrophobicContact CZ2-CG 4.1Å; W282-M384 HydrophobicContact CZ3-CE 4.49Å; W282-M384 HydrophobicContact CZ3-CG 4.38Å; W282-M384 HydrophobicContact CZ3-SD 4.02Å; W282-C386 HydrophobicContact CB-CB 3.82Å; W282-C386 VanDerWaalsContact CB-SG 3.59Å; W282-C402 HydrophobicContact CB-CB 4.5Å; W282-C402 WeakPolarHBondContact O-CB 3.46Å; W282-N403 PolarHBondContact NE1-O 2.93Å; W282-N403 VanDerWaalsContact NE1-O 3.09Å; W282-F405 AromaticContact CD2-CD1 3.48Å; W282-F405 HydrophobicContact CD2-CD1 3.48Å; W282-F405 VanDerWaalsContact CD2-CD1 3.48Å; W282-F405 AromaticContact CD2-CE1 3.67Å; W282-F405 HydrophobicContact CD2-CE1 3.67Å; W282-F405 AromaticContact CE2-CD1 3.66Å; W282-F405 AromaticContact CE2-CE1 3.76Å; W282-F405 AromaticContact CE3-CD1 3.7Å; W282-F405 HydrophobicContact CE3-CD1 3.7Å; W282-F405 AromaticContact CE3-CE1 3.45Å; W282-F405 HydrophobicContact CE3-CE1 3.45Å; W282-F405 VanDerWaalsContact CE3-CE1 3.45Å; W282-F405 AromaticContact CG-CD1 3.93Å; W282-F405 HydrophobicContact CG-CD1 3.93Å; W282-F405 HydrophobicContact CH2-CD1 4.28Å; W282-F405 AromaticContact CH2-CE1 3.52Å; W282-F405 HydrophobicContact CH2-CE1 3.52Å; W282-F405 HydrophobicContact CH2-CZ 4.47Å; W282-F405 HydrophobicContact CZ2-CD1 4.06Å; W282-F405 AromaticContact CZ2-CE1 3.68Å; W282-F405 HydrophobicContact CZ2-CE1 3.68Å; W282-F405 HydrophobicContact CZ3-CD1 4.12Å; W282-F405 AromaticContact CZ3-CE1 3.4Å; W282-F405 HydrophobicContact CZ3-CE1 3.4Å; W282-F405 VanDerWaalsContact CZ3-CE1 3.4Å; W282-F405 HydrophobicContact CZ3-CZ 4.32Å; W282-H408 AromaticContact CH2-CD2 3.62Å; W282-H408 AromaticContact CH2-NE2 3.91Å; W282-H408 AromaticContact CZ2-CD2 3.45Å; W282-H408 VanDerWaalsContact CZ2-CD2 3.45Å; W282-H408 WeakPolarHBondContact CZ2-CD2 3.17Å; W282-H408 AromaticContact CZ2-NE2 3.65Å
283	L	98.1	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.7	-42	-175.4	-167.7	67.5	0	0	0	112.4	M280 H281 A286 A287 L311 V313 F334 A338 C386 V388	M280-L283 WeakPolarHBondContact O-CB 3.41Å; M280-L283 PolarHBondContact O-N 3.28Å; M280-L283 VanDerWaalsContact O-N 3.13Å; H281-L283 VanDerWaalsContact C-N 3.27Å; H281-L283 PolarHBondContact O-N 2.92Å; L283-A286 PolarHBondContact O-N 3.03Å; L283-A287 VanDerWaalsContact O-CB 3.31Å; L283-A287 WeakPolarHBondContact O-CB 3.34Å; L283-A287 PolarHBondContact O-N 3.38Å; L283-L311 HydrophobicContact CD1-CB 4.39Å; L283-L311 HydrophobicContact CD1-CD1 4.49Å; L283-L311 HydrophobicContact CD1-CD2 4.11Å; L283-L311 HydrophobicContact CD2-CD1 4.16Å; L283-V313 HydrophobicContact CD1-CG1 3.9Å; L283-F334 VanDerWaalsContact CD2-C 3.44Å; L283-F334 VanDerWaalsContact CD2-CA 3.43Å; L283-F334 HydrophobicContact CD2-CB 3.59Å; L283-F334 HydrophobicContact CD2-CD1 3.73Å; L283-F334 HydrophobicContact CD2-CG 4.12Å; L283-F334 WeakPolarHBondContact CD2-O 3.08Å; L283-A338 HydrophobicContact CD2-CB 3.9Å; L283-A338 HydrophobicContact CG-CB 4.02Å; L283-C386 HydrophobicContact CB-CB 4.21Å; L283-C386 HydrophobicContact CD1-CB 3.85Å; L283-V388 HydrophobicContact CD1-CG2 3.72Å
284	V	98.6	Very high	97.4	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.036	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-46.8	175.9	168	0	0	0	0	110.7	I274 M280 A286 A287 Q288 N337 A341 V347	I274-V284 HydrophobicContact CD1-CB 4.46Å; I274-V284 HydrophobicContact CD1-CG2 3.76Å; M280-V284 WeakPolarHBondContact O-CG2 3.45Å; M280-V284 PolarHBondContact O-N 2.82Å; V284-A286 VanDerWaalsContact C-N 3.35Å; V284-A286 PolarHBondContact O-N 3.25Å; V284-A287 PolarHBondContact O-N 2.73Å; V284-Q288 HydrophobicContact CG1-CG 4.5Å; V284-Q288 WeakPolarHBondContact O-CG 3.43Å; V284-Q288 PolarHBondContact O-N 3.02Å; V284-N337 HydrophobicContact CG2-CB 4.07Å; V284-A341 HydrophobicContact CB-CB 4.36Å; V284-A341 HydrophobicContact CG1-CB 3.98Å; V284-A341 HydrophobicContact CG2-CB 4.22Å; V284-V347 HydrophobicContact CG1-CG2 4.32Å; V284-V347 HydrophobicContact CG2-CB 4.33Å; V284-V347 HydrophobicContact CG2-CG2 3.72Å
285	D	98.6	Very high	97.1	Very high	31 Å²	31	19.3 Å²	19.3	17%	0.166	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-41	178	-79.1	15.3	0	0	0	111.6	R273 H281 A289 C402 F405	R273-D285 IonicContact CZ-OD1 2.7Å; R273-D285 IonicContact NH1-OD1 2.82Å; R273-D285 VanDerWaalsContact NH2-CG 3.29Å; R273-D285 IonicContact NH2-OD1 3.12Å; R273-D285 PolarHBondContact NH2-OD1 2.97Å; R273-D285 IonicContact NH2-OD2 3.34Å; R273-D285 PolarHBondContact NH2-OD2 3.49Å; R273-D285 VanDerWaalsContact NH2-OD2 3.15Å; H281-D285 PolarHBondContact O-N 3.2Å; D285-A289 WeakPolarHBondContact O-CB 3.38Å; D285-A289 PolarHBondContact O-N 3.2Å; D285-C402 HydrophobicContact CB-CB 4.18Å; D285-F405 VanDerWaalsContact OD2-CA 3.32Å; D285-F405 WeakPolarHBondContact OD2-CA 3.41Å; D285-F405 WeakPolarHBondContact OD2-CB 3.35Å
286	A	98.6	Very high	96.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-40.5	176.1	0	0	0	0	0	112.4	W282 L283 V284 A289 A290 V388 C402	W282-A286 WeakPolarHBondContact O-CB 3.39Å; W282-A286 PolarHBondContact O-N 3.06Å; L283-A286 PolarHBondContact O-N 3.03Å; V284-A286 VanDerWaalsContact C-N 3.35Å; V284-A286 PolarHBondContact O-N 3.25Å; A286-A289 PolarHBondContact O-N 3.15Å; A286-A290 WeakPolarHBondContact O-CB 3.48Å; A286-A290 PolarHBondContact O-N 3.15Å; A286-V388 HydrophobicContact CB-CB 4.35Å; A286-V388 HydrophobicContact CB-CG2 3.8Å; A286-C402 HydrophobicContact CB-CB 3.89Å
287	A	98.4	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-46.4	178	0	0	0	0	0	111.9	L283 V284 A289 A290 L291 A341 L342 V388	L283-A287 VanDerWaalsContact O-CB 3.31Å; L283-A287 WeakPolarHBondContact O-CB 3.34Å; L283-A287 PolarHBondContact O-N 3.38Å; V284-A287 PolarHBondContact O-N 2.73Å; A287-A289 VanDerWaalsContact C-N 3.35Å; A287-A289 PolarHBondContact O-N 3.19Å; A287-A290 PolarHBondContact O-N 2.84Å; A287-L291 WeakPolarHBondContact O-CB 3.36Å; A287-L291 PolarHBondContact O-N 3.46Å; A287-A341 HydrophobicContact CB-CB 4.08Å; A287-L342 HydrophobicContact CB-CD2 4.08Å; A287-L342 HydrophobicContact CB-CG 4.23Å; A287-L342 WeakPolarHBondContact O-CD2 3.27Å; A287-V388 HydrophobicContact CB-CG1 4.41Å; A287-V388 HydrophobicContact CB-CG2 4.17Å
288	Q	97.6	Very high	95.2	Very high	62 Å²	62	31 Å²	31	29%	0.29	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-43.3	176.3	-72.3	174.4	-35.5	0	0	111.6	V284 L291 G292 A341 G345	V284-Q288 HydrophobicContact CG1-CG 4.5Å; V284-Q288 WeakPolarHBondContact O-CG 3.43Å; V284-Q288 PolarHBondContact O-N 3.02Å; Q288-L291 PolarHBondContact O-N 3.3Å; Q288-G292 PolarHBondContact O-N 2.72Å; Q288-A341 HydrophobicContact CG-CB 4.33Å; Q288-G345 PolarHBondContact NE2-O 3.4Å
289	A	97.9	Very high	93.9	Very high	46 Å²	46	42.3 Å²	42.3	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-37.6	177.4	0	0	0	0	0	112.7	D285 A286 A287 K293 A400	D285-A289 WeakPolarHBondContact O-CB 3.38Å; D285-A289 PolarHBondContact O-N 3.2Å; A286-A289 PolarHBondContact O-N 3.15Å; A287-A289 VanDerWaalsContact C-N 3.35Å; A287-A289 PolarHBondContact O-N 3.19Å; A289-K293 WeakPolarHBondContact O-CG 3.36Å; A289-K293 PolarHBondContact O-N 3.34Å; A289-A400 HydrophobicContact CB-CB 3.62Å
290	A	97.1	Very high	92.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-40.9	176.1	0	0	0	0	0	111.5	A286 A287 L294 V388 I390 A400	A286-A290 WeakPolarHBondContact O-CB 3.48Å; A286-A290 PolarHBondContact O-N 3.15Å; A287-A290 PolarHBondContact O-N 2.84Å; A290-L294 PolarHBondContact O-N 2.61Å; A290-L294 VanDerWaalsContact O-N 3.11Å; A290-V388 HydrophobicContact CB-CB 4.34Å; A290-V388 HydrophobicContact CB-CG1 4.28Å; A290-I390 HydrophobicContact CB-CD1 3.79Å; A290-I390 HydrophobicContact CB-CG1 4.14Å; A290-A400 HydrophobicContact CB-CB 3.89Å
291	L	94.9	Very high	92	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-45.6	176.1	-179.3	62.4	0	0	0	111.9	A287 Q288 K293 L294 Q295 F301 L303 L342 I390	A287-L291 WeakPolarHBondContact O-CB 3.36Å; A287-L291 PolarHBondContact O-N 3.46Å; Q288-L291 PolarHBondContact O-N 3.3Å; L291-K293 PolarHBondContact O-N 3.16Å; L291-L294 WeakPolarHBondContact O-CB 3.34Å; L291-L294 PolarHBondContact O-N 3.03Å; L291-L294 VanDerWaalsContact O-N 3.12Å; L291-Q295 HydrophobicContact CD1-CG 4.29Å; L291-Q295 HydrophobicContact CG-CG 4.46Å; L291-Q295 WeakPolarHBondContact O-CG 3.31Å; L291-Q295 PolarHBondContact O-N 3Å; L291-F301 HydrophobicContact CD1-CD1 4.31Å; L291-F301 HydrophobicContact CD1-CE1 3.63Å; L291-L303 HydrophobicContact CD1-CD2 4Å; L291-L342 HydrophobicContact CB-CD2 3.92Å; L291-L342 WeakPolarHBondContact CD2-O 3.5Å; L291-I390 HydrophobicContact CB-CD1 4.39Å
292	G	94.6	Very high	91.4	Very high	22 Å²	22	54 Å²	54	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-45.6	177.9	0	0	0	0	0	112.4	Q288 L294 Q295 E296	Q288-G292 PolarHBondContact O-N 2.72Å; G292-L294 VanDerWaalsContact C-N 3.29Å; G292-L294 PolarHBondContact O-N 3.37Å; G292-Q295 PolarHBondContact O-N 3.29Å; G292-E296 WeakPolarHBondContact O-CG 3.42Å; G292-E296 PolarHBondContact O-N 3.25Å
293	K	94.4	Very high	90.9	Very high	102 Å²	102	56.3 Å²	56.3	44%	0.443	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-39.2	174.4	-71.8	-179.2	-176.9	-174.3	0	112.9	A289 L291 E296 A297 C398 T399	A289-K293 WeakPolarHBondContact O-CG 3.36Å; A289-K293 PolarHBondContact O-N 3.34Å; L291-K293 PolarHBondContact O-N 3.16Å; K293-E296 PolarHBondContact O-N 3.05Å; K293-A297 WeakPolarHBondContact O-CB 3.26Å; K293-A297 PolarHBondContact O-N 2.74Å; K293-C398 HydrophobicContact CB-CB 4.24Å; K293-T399 PolarHBondContact NZ-O 3.15Å
294	L	91.6	Very high	90.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-41.6	179.8	-172.5	60.6	0	0	0	111.4	A290 L291 G292 E296 A297 A298 F301 I390 T392 E396 C398	A290-L294 PolarHBondContact O-N 2.61Å; A290-L294 VanDerWaalsContact O-N 3.11Å; L291-L294 WeakPolarHBondContact O-CB 3.34Å; L291-L294 PolarHBondContact O-N 3.03Å; L291-L294 VanDerWaalsContact O-N 3.12Å; G292-L294 VanDerWaalsContact C-N 3.29Å; G292-L294 PolarHBondContact O-N 3.37Å; L294-E296 VanDerWaalsContact C-N 3.3Å; L294-E296 PolarHBondContact O-N 3.43Å; L294-A297 PolarHBondContact O-N 2.6Å; L294-A298 WeakPolarHBondContact O-CB 3.07Å; L294-A298 PolarHBondContact O-N 3.01Å; L294-F301 HydrophobicContact CD2-CD1 4.36Å; L294-F301 HydrophobicContact CD2-CD2 3.94Å; L294-F301 HydrophobicContact CD2-CE1 3.88Å; L294-F301 HydrophobicContact CD2-CE2 3.42Å; L294-F301 VanDerWaalsContact CD2-CE2 3.42Å; L294-F301 HydrophobicContact CD2-CG 4.39Å; L294-F301 HydrophobicContact CD2-CZ 3.37Å; L294-F301 HydrophobicContact CG-CD1 4.43Å; L294-F301 HydrophobicContact CG-CD2 4.05Å; L294-F301 HydrophobicContact CG-CE1 4.42Å; L294-F301 HydrophobicContact CG-CE2 4.05Å; L294-F301 HydrophobicContact CG-CG 4.25Å; L294-F301 HydrophobicContact CG-CZ 4.23Å; L294-I390 HydrophobicContact CD2-CB 4.19Å; L294-I390 HydrophobicContact CD2-CD1 4.46Å; L294-I390 HydrophobicContact CD2-CG2 3.66Å; L294-T392 HydrophobicContact CD1-CG2 4Å; L294-T392 HydrophobicContact CD2-CG2 3.96Å; L294-T392 HydrophobicContact CG-CG2 4.49Å; L294-E396 HydrophobicContact CD1-CB 4.25Å; L294-C398 VanDerWaalsContact CA-SG 3.59Å; L294-C398 HydrophobicContact CB-CB 4.02Å; L294-C398 HydrophobicContact CD1-CB 4.3Å
295	Q	90.9	Very high	90.2	Very high	113 Å²	113	62.1 Å²	62.1	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-33	175.6	-71.5	173.6	-33.4	0	0	112.7	L291 G292 F301	L291-Q295 HydrophobicContact CD1-CG 4.29Å; L291-Q295 HydrophobicContact CG-CG 4.46Å; L291-Q295 WeakPolarHBondContact O-CG 3.31Å; L291-Q295 PolarHBondContact O-N 3Å; G292-Q295 PolarHBondContact O-N 3.29Å; Q295-F301 HydrophobicContact CG-CD1 4.07Å
296	E	89.8	Confident	90.1	Very high	169 Å²	169	60.7 Å²	60.7	79%	0.79	32%	0.317	S	S	*	.	H	α-helix	trans	-71.5	-36.3	173	-72.7	171.6	-169.6	0	0	112.5	G292 K293 L294	G292-E296 WeakPolarHBondContact O-CG 3.42Å; G292-E296 PolarHBondContact O-N 3.25Å; K293-E296 PolarHBondContact O-N 3.05Å; L294-E296 VanDerWaalsContact C-N 3.3Å; L294-E296 PolarHBondContact O-N 3.43Å
297	A	86	Confident	90	Very high	73 Å²	73	66.1 Å²	66.1	60%	0.603	34%	0.342	S	S	*	.	H	α-helix	trans	-79.5	-32	-177.4	0	0	0	0	0	113.5	K293 L294	K293-A297 WeakPolarHBondContact O-CB 3.26Å; K293-A297 PolarHBondContact O-N 2.74Å; L294-A297 PolarHBondContact O-N 2.6Å
298	A	80.9	Confident	90	Very high	7 Å²	7	70.7 Å²	70.7	6%	0.058	36%	0.359	C	S	.	.	S	Bend	trans	-118.7	104.6	-172.5	0	0	0	0	0	111.7	L294 N300 F301 E396	L294-A298 WeakPolarHBondContact O-CB 3.07Å; L294-A298 PolarHBondContact O-N 3.01Å; A298-N300 PolarHBondContact O-N 3.04Å; A298-F301 HydrophobicContact CB-CB 4.04Å; A298-F301 PolarHBondContact O-N 3.1Å; A298-E396 WeakPolarHBondContact CB-OE1 3.5Å; A298-E396 WeakPolarHBondContact CB-OE2 3.49Å
299	W	70.7	Confident	90	Very high	241 Å²	241	67.7 Å²	67.7	91%	0.913	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	118.9	175.1	-171.5	-88.9	0	0	0	109.9
300	N	74.3	Confident	90	Very high	134 Å²	134	65.6 Å²	65.6	72%	0.717	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	34.8	-172.7	-58.9	-23.6	0	0	0	116.4	A298 D302	A298-N300 PolarHBondContact O-N 3.04Å; N300-D302 PolarHBondContact O-N 3.24Å
301	F	81.3	Confident	90.1	Very high	30 Å²	30	65.6 Å²	65.6	13%	0.132	33%	0.327	C	S	.	.			trans	-58.5	130.5	169.4	174.7	-106.6	0	0	0	112.5	L291 L294 Q295 A298 L303 Q305 I306 T392	L291-F301 HydrophobicContact CD1-CD1 4.31Å; L291-F301 HydrophobicContact CD1-CE1 3.63Å; L294-F301 HydrophobicContact CD2-CD1 4.36Å; L294-F301 HydrophobicContact CD2-CD2 3.94Å; L294-F301 HydrophobicContact CD2-CE1 3.88Å; L294-F301 HydrophobicContact CD2-CE2 3.42Å; L294-F301 VanDerWaalsContact CD2-CE2 3.42Å; L294-F301 HydrophobicContact CD2-CG 4.39Å; L294-F301 HydrophobicContact CD2-CZ 3.37Å; L294-F301 HydrophobicContact CG-CD1 4.43Å; L294-F301 HydrophobicContact CG-CD2 4.05Å; L294-F301 HydrophobicContact CG-CE1 4.42Å; L294-F301 HydrophobicContact CG-CE2 4.05Å; L294-F301 HydrophobicContact CG-CG 4.25Å; L294-F301 HydrophobicContact CG-CZ 4.23Å; Q295-F301 HydrophobicContact CG-CD1 4.07Å; A298-F301 HydrophobicContact CB-CB 4.04Å; A298-F301 PolarHBondContact O-N 3.1Å; F301-L303 HydrophobicContact CE1-CD2 3.98Å; F301-L303 HydrophobicContact CE1-CG 4.48Å; F301-L303 HydrophobicContact CZ-CD2 4.37Å; F301-Q305 HydrophobicContact CE2-CB 4.2Å; F301-I306 HydrophobicContact CE2-CG1 4.24Å; F301-I306 HydrophobicContact CZ-CD1 4.08Å; F301-I306 HydrophobicContact CZ-CG1 3.68Å; F301-T392 HydrophobicContact CD2-CG2 4.21Å; F301-T392 HydrophobicContact CE2-CG2 3.74Å
302	D	86.6	Confident	90.3	Very high	84 Å²	84	67.6 Å²	67.6	45%	0.449	33%	0.334	S	S	.	.			trans	-118.3	143	170.1	177.4	37.9	0	0	0	110.3	N300 S304 Q305	N300-D302 PolarHBondContact O-N 3.24Å; D302-S304 PolarHBondContact O-N 2.94Å; D302-S304 VanDerWaalsContact O-N 3.12Å; D302-S304 WeakPolarHBondContact OD2-CB 3.22Å; D302-S304 PolarHBondContact OD2-N 3.49Å; D302-S304 PolarHBondContact OD2-OG 3.38Å; D302-Q305 HydrophobicContact CB-CG 4.42Å; D302-Q305 WeakPolarHBondContact O-CB 3.41Å; D302-Q305 WeakPolarHBondContact O-CG 3.36Å; D302-Q305 PolarHBondContact O-N 2.92Å
303	L	88	Confident	90.5	Very high	47 Å²	47	66.6 Å²	66.6	25%	0.246	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.1	-177.3	-70.2	165.6	0	0	0	112.8	L291 F301 Q305 I306 L342 L343	L291-L303 HydrophobicContact CD1-CD2 4Å; F301-L303 HydrophobicContact CE1-CD2 3.98Å; F301-L303 HydrophobicContact CE1-CG 4.48Å; F301-L303 HydrophobicContact CZ-CD2 4.37Å; L303-Q305 PolarHBondContact O-N 2.86Å; L303-I306 HydrophobicContact CD2-CD1 3.78Å; L303-I306 WeakPolarHBondContact O-CB 3.42Å; L303-I306 WeakPolarHBondContact O-CG1 3.44Å; L303-I306 PolarHBondContact O-N 3.32Å; L303-L342 WeakPolarHBondContact CD2-O 3.49Å; L303-L343 HydrophobicContact CD1-CD2 4.15Å
304	S	89.7	Confident	90.6	Very high	80 Å²	80	61.7 Å²	61.7	56%	0.559	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.7	-22.7	173.5	72.2	0	0	0	0	113.2	D302 I306	D302-S304 PolarHBondContact O-N 2.94Å; D302-S304 VanDerWaalsContact O-N 3.12Å; D302-S304 WeakPolarHBondContact OD2-CB 3.22Å; D302-S304 PolarHBondContact OD2-N 3.49Å; D302-S304 PolarHBondContact OD2-OG 3.38Å; S304-I306 VanDerWaalsContact C-N 3.26Å; S304-I306 PolarHBondContact O-N 3.41Å
305	Q	92.2	Very high	90.7	Very high	48 Å²	48	64.6 Å²	64.6	22%	0.224	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-75.5	-13.6	179	-58.2	175.6	0.8	0	0	112.8	F301 D302 L303 Q307 T392 A393	F301-Q305 HydrophobicContact CE2-CB 4.2Å; D302-Q305 HydrophobicContact CB-CG 4.42Å; D302-Q305 WeakPolarHBondContact O-CB 3.41Å; D302-Q305 WeakPolarHBondContact O-CG 3.36Å; D302-Q305 PolarHBondContact O-N 2.92Å; L303-Q305 PolarHBondContact O-N 2.86Å; Q305-Q307 PolarHBondContact O-N 2.95Å; Q305-T392 CarbonylContact O-C 3.53Å; Q305-T392 VanDerWaalsContact O-CA 3.25Å; Q305-T392 WeakPolarHBondContact O-CA 3.37Å; Q305-A393 PolarHBondContact O-N 2.87Å
306	I	95.8	Very high	90.6	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	121.4	175.7	-61.3	177.2	0	0	0	108.9	F301 L303 S304 V309 L365 K368 I390	F301-I306 HydrophobicContact CE2-CG1 4.24Å; F301-I306 HydrophobicContact CZ-CD1 4.08Å; F301-I306 HydrophobicContact CZ-CG1 3.68Å; L303-I306 HydrophobicContact CD2-CD1 3.78Å; L303-I306 WeakPolarHBondContact O-CB 3.42Å; L303-I306 WeakPolarHBondContact O-CG1 3.44Å; L303-I306 PolarHBondContact O-N 3.32Å; S304-I306 VanDerWaalsContact C-N 3.26Å; S304-I306 PolarHBondContact O-N 3.41Å; I306-V309 HydrophobicContact CG2-CG2 3.67Å; I306-L365 HydrophobicContact CB-CD1 4.22Å; I306-L365 HydrophobicContact CD1-CD1 4.17Å; I306-L365 HydrophobicContact CG2-CD1 3.8Å; I306-K368 WeakPolarHBondContact O-CD 3.27Å; I306-K368 WeakPolarHBondContact O-CE 3.39Å; I306-K368 PolarHBondContact O-NZ 3.14Å; I306-I390 HydrophobicContact CD1-CG2 4.07Å; I306-I390 HydrophobicContact CG1-CG2 3.88Å; I306-I390 HydrophobicContact CG2-CG2 4.11Å
307	Q	96.8	Very high	90.1	Very high	114 Å²	114	60.9 Å²	60.9	53%	0.533	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-34	175.5	-170.2	-179.2	16.9	0	0	111.7	Q305 E391	Q305-Q307 PolarHBondContact O-N 2.95Å; Q307-E391 PolarHBondContact N-O 3.11Å
308	R	98.1	Very high	90.2	Very high	96 Å²	96	59.2 Å²	59.2	36%	0.362	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	144	-178.6	-155.5	-175	-46.3	134.8	17.4	111.6	E391	R308-E391 HydrophobicContact CB-CB 4.15Å; R308-E391 IonicContact CZ-OE1 3.9Å; R308-E391 IonicContact CZ-OE2 2.84Å; R308-E391 PolarHBondContact N-O 2.83Å; R308-E391 IonicContact NE-OE1 3.58Å; R308-E391 IonicContact NH1-OE1 2.97Å; R308-E391 PolarHBondContact NH1-OE1 2.88Å; R308-E391 IonicContact NH1-OE2 3.42Å; R308-E391 PolarHBondContact NH1-OE2 2.81Å; R308-E391 IonicContact NH2-OE2 3.75Å; R308-E391 PolarHBondContact NH2-OE2 2.86Å; R308-E391 VanDerWaalsContact NH2-OE2 3.11Å; R308-E391 PolarHBondContact O-N 3.3Å
309	V	98.6	Very high	90.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.5	169.2	-177.3	0	0	0	0	108.5	I306 L311 L342 L365 K368 V369 E370 V388 Q389	I306-V309 HydrophobicContact CG2-CG2 3.67Å; V309-L311 HydrophobicContact CG1-CD2 3.68Å; V309-L342 HydrophobicContact CG1-CD1 4.19Å; V309-L342 HydrophobicContact CG2-CD1 4Å; V309-L365 HydrophobicContact CG2-CD1 4.04Å; V309-K368 PolarHBondContact N-O 3.28Å; V309-V369 HydrophobicContact CB-CG2 4.25Å; V309-V369 CarbonylContact O-C 3.6Å; V309-V369 VanDerWaalsContact O-CA 3.3Å; V309-V369 WeakPolarHBondContact O-CA 3.5Å; V309-E370 PolarHBondContact O-N 3.23Å; V309-V388 HydrophobicContact CG1-CG1 4.03Å; V309-Q389 CarbonylContact C-O 3.53Å; V309-Q389 WeakPolarHBondContact CA-O 3.34Å
310	T	98.8	Very high	91.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.8	174.5	-60.2	0	0	0	0	110	R312 E370 K372 Q389	T310-R312 HydrophobicContact CG2-CG 4.42Å; T310-E370 CarbonylContact C-O 3.1Å; T310-E370 WeakPolarHBondContact CA-O 3.33Å; T310-K372 HydrophobicContact CG2-CD 3.76Å; T310-K372 HydrophobicContact CG2-CG 4.05Å; T310-Q389 PolarHBondContact N-O 3.11Å; T310-Q389 PolarHBondContact O-N 3.04Å
311	L	98.8	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.2	175.4	-47.2	-179.1	0	0	0	109	L283 V309 V313 F334 Q335 A338 V369 E370 V371 K372 V388	L283-L311 HydrophobicContact CD1-CB 4.39Å; L283-L311 HydrophobicContact CD1-CD1 4.49Å; L283-L311 HydrophobicContact CD1-CD2 4.11Å; L283-L311 HydrophobicContact CD2-CD1 4.16Å; V309-L311 HydrophobicContact CG1-CD2 3.68Å; L311-V313 HydrophobicContact CB-CG1 4.14Å; L311-F334 HydrophobicContact CD1-CB 4.21Å; L311-Q335 HydrophobicContact CD1-CG 4.33Å; L311-A338 HydrophobicContact CD1-CB 4.06Å; L311-A338 HydrophobicContact CD2-CB 3.74Å; L311-V369 HydrophobicContact CD1-CG1 3.57Å; L311-V369 HydrophobicContact CG-CG1 3.76Å; L311-E370 PolarHBondContact N-O 2.96Å; L311-V371 HydrophobicContact CB-CG2 4.47Å; L311-V371 HydrophobicContact CD1-CG2 4.29Å; L311-V371 WeakPolarHBondContact O-CA 3.06Å; L311-K372 PolarHBondContact O-N 3.41Å; L311-V388 HydrophobicContact CD2-CB 4.49Å; L311-V388 HydrophobicContact CD2-CG1 4.11Å; L311-V388 HydrophobicContact CD2-CG2 3.88Å
312	R	98.7	Very high	93.6	Very high	56 Å²	56	47.4 Å²	47.4	21%	0.211	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.3	170.2	-55.3	-173.7	-179.3	70.7	8	108.9	T310 K372 P374 C386 E387	T310-R312 HydrophobicContact CG2-CG 4.42Å; R312-K372 WeakPolarHBondContact CA-O 3.4Å; R312-K372 HydrophobicContact CG-CB 4.29Å; R312-P374 HydrophobicContact CB-CG 3.83Å; R312-P374 HydrophobicContact CG-CG 4.39Å; R312-C386 WeakPolarHBondContact O-CA 3.46Å; R312-E387 HydrophobicContact CB-CB 4.17Å; R312-E387 VanDerWaalsContact CD-OE1 3.25Å; R312-E387 WeakPolarHBondContact CD-OE1 3.37Å; R312-E387 IonicContact CZ-OE1 2.84Å; R312-E387 PolarHBondContact N-O 2.6Å; R312-E387 IonicContact NE-OE1 3.95Å; R312-E387 IonicContact NH1-OE1 3.64Å; R312-E387 PolarHBondContact NH1-OE1 2.73Å; R312-E387 PolarHBondContact O-N 2.95Å
313	V	98.3	Very high	94.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	24%	0.244	C	C	.	.			trans	-136.1	162.8	-169.1	-61.3	0	0	0	0	110.2	L283 L311 F334 V371 K372 T373 N377 C386	L283-V313 HydrophobicContact CD1-CG1 3.9Å; L311-V313 HydrophobicContact CB-CG1 4.14Å; V313-F334 HydrophobicContact CB-CD2 4.34Å; V313-F334 HydrophobicContact CB-CE1 4.17Å; V313-F334 HydrophobicContact CB-CE2 4Å; V313-F334 HydrophobicContact CB-CZ 3.89Å; V313-F334 HydrophobicContact CG1-CD1 4.16Å; V313-F334 HydrophobicContact CG1-CE1 4.2Å; V313-F334 HydrophobicContact CG1-CG 4.3Å; V313-F334 HydrophobicContact CG1-CZ 4.41Å; V313-F334 HydrophobicContact CG2-CD2 3.81Å; V313-F334 HydrophobicContact CG2-CE2 3.64Å; V313-F334 HydrophobicContact CG2-CG 4.38Å; V313-F334 HydrophobicContact CG2-CZ 4.08Å; V313-V371 HydrophobicContact CG2-CG1 3.59Å; V313-K372 PolarHBondContact N-O 3.46Å; V313-T373 WeakPolarHBondContact O-CA 3.43Å; V313-N377 VanDerWaalsContact C-ND2 3.31Å; V313-C386 HydrophobicContact CG1-CB 4.4Å
314	P	96.6	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.			trans	-66.9	157.1	174.1	29.1	-37.4	0	0	0	111.6	S316 P379 M384	P314-S316 PolarHBondContact O-N 2.87Å; P314-P379 HydrophobicContact CB-CB 4.09Å; P314-M384 HydrophobicContact CG-CB 4.15Å; P314-M384 HydrophobicContact CG-CE 3.44Å; P314-M384 VanDerWaalsContact CG-CE 3.44Å; P314-M384 HydrophobicContact CG-SD 4.1Å
315	P	93.4	Very high	94.8	Very high	61 Å²	61	46.9 Å²	46.9	40%	0.396	23%	0.232	S	C	.	.			trans	-62.8	138	175.1	27.8	-34.6	0	0	0	110.9	T373 N377 P379	P315-T373 HydrophobicContact CB-CG2 4.29Å; P315-N377 WeakPolarHBondContact CD-O 3.41Å; P315-P379 HydrophobicContact CG-CG 4.36Å
316	S	88.5	Confident	95	Very high	29 Å²	29	47.6 Å²	47.6	20%	0.203	24%	0.24	C	C	.	.			trans	-153.4	147	170.9	-174.8	0	0	0	0	112.8	P314 Y318 I319	P314-S316 PolarHBondContact O-N 2.87Å; S316-Y318 PolarHBondContact OG-N 3.46Å; S316-I319 VanDerWaalsContact CB-CG1 3.46Å; S316-I319 WeakPolarHBondContact OG-CG1 3.49Å; S316-I319 PolarHBondContact OG-N 3.12Å
317	K	80.8	Confident	95	Very high	175 Å²	175	50.3 Å²	50.3	76%	0.761	25%	0.253	S	S	*	.	S	Bend	trans	-92.5	-17.1	178	-63	-178.5	-178.8	172.7	0	114.1
318	Y	88.1	Confident	94.9	Very high	38 Å²	38	45.9 Å²	45.9	15%	0.149	23%	0.232	C	C	.	.	S	Bend	trans	-126.6	-8.6	-172.4	76.3	-88.8	0	0	0	115.4	I152 L197 A200 H277 S316 H332	I152-Y318 HydrophobicContact CG2-CE1 3.44Å; I152-Y318 VanDerWaalsContact CG2-CE1 3.44Å; I152-Y318 WeakPolarHBondContact CG2-OH 3.36Å; L197-Y318 HydrophobicContact CD1-CE1 4.46Å; L197-Y318 HydrophobicContact CD2-CD1 3.74Å; L197-Y318 HydrophobicContact CD2-CE1 4Å; L197-Y318 HydrophobicContact CD2-CG 4.45Å; L197-Y318 HydrophobicContact CG-CD1 4.32Å; A200-Y318 HydrophobicContact CB-CD2 3.95Å; A200-Y318 HydrophobicContact CB-CE2 4.31Å; H277-Y318 AromaticContact CD2-CE2 3.82Å; H277-Y318 AromaticContact NE2-CE2 3.85Å; H277-Y318 AromaticContact NE2-CZ 3.63Å; H277-Y318 PolarHBondContact NE2-OH 3.27Å; S316-Y318 PolarHBondContact OG-N 3.46Å; Y318-H332 AromaticContact CD2-CD2 3.91Å; Y318-H332 AromaticContact CE2-CD2 3.82Å
319	I	91.8	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-112.3	5.5	175.1	65.1	178	0	0	0	114.7	H277 A279 M280 S316 H332 F334	H277-I319 HydrophobicContact CB-CG2 4.26Å; A279-I319 HydrophobicContact CB-CD1 3.67Å; M280-I319 HydrophobicContact CE-CB 3.85Å; M280-I319 HydrophobicContact CE-CD1 3.93Å; M280-I319 HydrophobicContact CE-CG1 4.24Å; M280-I319 HydrophobicContact CE-CG2 4.48Å; S316-I319 VanDerWaalsContact CB-CG1 3.46Å; S316-I319 WeakPolarHBondContact OG-CG1 3.49Å; S316-I319 PolarHBondContact OG-N 3.12Å; I319-H332 CarbonylContact C-O 3.6Å; I319-H332 WeakPolarHBondContact CA-O 3.45Å; I319-H332 HydrophobicContact CG2-CB 4.04Å; I319-H332 VanDerWaalsContact O-O 3.08Å; I319-F334 HydrophobicContact CD1-CE1 3.77Å; I319-F334 HydrophobicContact CD1-CE2 3.77Å; I319-F334 HydrophobicContact CD1-CZ 3.26Å; I319-F334 HydrophobicContact CG1-CD2 4.27Å; I319-F334 HydrophobicContact CG1-CE1 4.37Å; I319-F334 HydrophobicContact CG1-CE2 3.61Å; I319-F334 HydrophobicContact CG1-CZ 3.68Å; I319-F334 WeakPolarHBondContact O-CD2 3.15Å; I319-F334 PolarHBondContact O-N 3.35Å
320	N	94.1	Very high	94.8	Very high	79 Å²	79	44.1 Å²	44.1	42%	0.422	23%	0.228	S	C	.	.			trans	-95.3	93.4	170.1	-177.1	6	0	0	0	108.8	Q335	N320-Q335 PolarHBondContact OD1-NE2 3.36Å
321	C	95.9	Very high	94.8	Very high	27 Å²	27	44.4 Å²	44.4	18%	0.182	23%	0.229	C	C	.	.			trans	-132.8	94.4	-177	-176.8	0	0	0	0	108.7	F323 S333 Q335	C321-F323 PolarHBondContact O-N 3.47Å; C321-S333 VanDerWaalsContact O-CB 3.3Å; C321-S333 WeakPolarHBondContact O-CB 3.48Å; C321-S333 PolarHBondContact O-OG 3.19Å; C321-Q335 PolarHBondContact O-OE1 3.29Å
322	P	96.3	Very high	94.8	Very high	58 Å²	58	44.6 Å²	44.6	38%	0.377	23%	0.23	S	C	.	.	S	Bend	trans	-67.2	-34.2	-170	23.7	-33.2	0	0	0	113.6	Q335 L366	P322-Q335 HydrophobicContact CB-CG 4.49Å; P322-L366 WeakPolarHBondContact O-CD2 3.36Å
323	F	96.9	Very high	94.7	Very high	108 Å²	108	41.9 Å²	41.9	47%	0.474	22%	0.219	S	C	.	.	S	Bend	trans	-130.2	75.9	-178.4	-61.4	-78.8	0	0	0	110.2	C321 L366	C321-F323 PolarHBondContact O-N 3.47Å; F323-L366 HydrophobicContact CD1-CB 4.15Å; F323-L366 HydrophobicContact CD1-CD1 4.35Å; F323-L366 HydrophobicContact CE1-CB 3.83Å
324	P	97.1	Very high	94.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.			trans	-65.9	140.1	177	28.3	-32.8	0	0	0	110.2	Q329 A330 F336 I357 K363	P324-Q329 HydrophobicContact CB-CB 3.62Å; P324-A330 HydrophobicContact CB-CB 4.05Å; P324-A330 HydrophobicContact CG-CB 4.13Å; P324-F336 HydrophobicContact CG-CB 3.78Å; P324-F336 HydrophobicContact CG-CD2 4.01Å; P324-F336 HydrophobicContact CG-CG 4.11Å; P324-I357 WeakPolarHBondContact O-CG2 3.18Å; P324-K363 PolarHBondContact O-NZ 2.93Å; P324-K363 VanDerWaalsContact O-NZ 3.11Å
325	T	94.8	Very high	94.8	Very high	92 Å²	92	42.2 Å²	42.2	56%	0.564	22%	0.221	S	C	*	.			trans	-114.8	-11.6	177.5	59	0	0	0	0	112.5	Q329	T325-Q329 PolarHBondContact OG1-OE1 2.74Å; T325-Q329 VanDerWaalsContact OG1-OE1 3.11Å
326	T	96	Very high	95.1	Very high	62 Å²	62	39.4 Å²	39.4	38%	0.38	20%	0.202	S	C	.	.	S	Bend	trans	-123.9	157.4	178.8	65.1	0	0	0	0	111.1	H328 Q329 A330	T326-H328 VanDerWaalsContact C-N 3.33Å; T326-H328 PolarHBondContact O-N 3.25Å; T326-Q329 PolarHBondContact O-N 3.02Å; T326-Q329 WeakPolarHBondContact OG1-CB 3.32Å; T326-Q329 VanDerWaalsContact OG1-CG 3.27Å; T326-Q329 WeakPolarHBondContact OG1-CG 3.46Å; T326-Q329 PolarHBondContact OG1-N 3.15Å; T326-Q329 PolarHBondContact OG1-OE1 2.81Å; T326-A330 PolarHBondContact O-N 2.82Å
327	E	96.3	Very high	95.5	Very high	60 Å²	60	38 Å²	38	28%	0.28	19%	0.193	S	C	.	.	H	α-helix	trans	-51.1	-51	173.8	-173.3	-162.9	141.7	0	0	111.7	Q329 A330 R331 F352	E327-Q329 VanDerWaalsContact C-N 3.34Å; E327-Q329 PolarHBondContact O-N 3.41Å; E327-A330 WeakPolarHBondContact O-CB 3.17Å; E327-A330 PolarHBondContact O-N 3.05Å; E327-A330 VanDerWaalsContact O-N 3.11Å; E327-R331 WeakPolarHBondContact O-CG 3.45Å; E327-R331 PolarHBondContact O-N 3.02Å; E327-R331 IonicContact OE1-CZ 3.73Å; E327-R331 IonicContact OE1-NE 3.1Å; E327-R331 PolarHBondContact OE1-NE 3.45Å; E327-R331 IonicContact OE1-NH2 2.68Å; E327-R331 PolarHBondContact OE1-NH2 3.41Å; E327-F352 HydrophobicContact CG-CB 3.97Å
328	H	94.8	Very high	96.4	Very high	21 Å²	21	29.7 Å²	29.7	10%	0.097	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-35.6	-177.7	-64.1	-68.9	0	0	0	113.1	A201 Q203 T326 H332	A201-H328 VanDerWaalsContact O-CB 3.31Å; A201-H328 WeakPolarHBondContact O-CB 3.48Å; Q203-H328 VanDerWaalsContact CA-CD2 3.5Å; Q203-H328 WeakPolarHBondContact CA-CD2 3.34Å; Q203-H328 WeakPolarHBondContact CA-NE2 3.39Å; Q203-H328 PolarHBondContact N-CD2 3.39Å; T326-H328 VanDerWaalsContact C-N 3.33Å; T326-H328 PolarHBondContact O-N 3.25Å; H328-H332 PolarHBondContact O-N 3.27Å; H328-H332 PolarHBondContact O-ND1 2.9Å
329	Q	97.3	Very high	96.9	Very high	59 Å²	59	27.9 Å²	27.9	28%	0.276	15%	0.149	S	C	.	.	H	α-helix	trans	-68.3	-40.6	172.4	-72.9	170.7	-18.9	0	0	111.8	P324 T325 T326 E327 R331 H332 S333	P324-Q329 HydrophobicContact CB-CB 3.62Å; T325-Q329 PolarHBondContact OG1-OE1 2.74Å; T325-Q329 VanDerWaalsContact OG1-OE1 3.11Å; T326-Q329 PolarHBondContact O-N 3.02Å; T326-Q329 WeakPolarHBondContact OG1-CB 3.32Å; T326-Q329 VanDerWaalsContact OG1-CG 3.27Å; T326-Q329 WeakPolarHBondContact OG1-CG 3.46Å; T326-Q329 PolarHBondContact OG1-N 3.15Å; T326-Q329 PolarHBondContact OG1-OE1 2.81Å; E327-Q329 VanDerWaalsContact C-N 3.34Å; E327-Q329 PolarHBondContact O-N 3.41Å; Q329-R331 VanDerWaalsContact C-N 3.33Å; Q329-R331 PolarHBondContact O-N 2.74Å; Q329-H332 CarbonylContact O-C 3.54Å; Q329-H332 WeakPolarHBondContact O-CA 3.32Å; Q329-H332 PolarHBondContact O-N 2.7Å; Q329-S333 WeakPolarHBondContact O-CB 3.26Å; Q329-S333 PolarHBondContact O-N 3.02Å
330	A	98.1	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-38	178.3	0	0	0	0	0	112	P324 T326 E327 H332 S333 F336 N337 F352 I357	P324-A330 HydrophobicContact CB-CB 4.05Å; P324-A330 HydrophobicContact CG-CB 4.13Å; T326-A330 PolarHBondContact O-N 2.82Å; E327-A330 WeakPolarHBondContact O-CB 3.17Å; E327-A330 PolarHBondContact O-N 3.05Å; E327-A330 VanDerWaalsContact O-N 3.11Å; A330-H332 PolarHBondContact O-N 3.03Å; A330-S333 PolarHBondContact O-N 3.19Å; A330-F336 HydrophobicContact CB-CD1 3.82Å; A330-F336 HydrophobicContact CB-CD2 4.1Å; A330-F336 HydrophobicContact CB-CE1 3.93Å; A330-F336 HydrophobicContact CB-CE2 4.19Å; A330-F336 HydrophobicContact CB-CG 3.94Å; A330-F336 HydrophobicContact CB-CZ 4.12Å; A330-F336 WeakPolarHBondContact O-CD1 3.32Å; A330-N337 PolarHBondContact O-ND2 3.42Å; A330-F352 HydrophobicContact CB-CD1 3.95Å; A330-F352 HydrophobicContact CB-CE1 4.48Å; A330-I357 HydrophobicContact CB-CD1 3.73Å; A330-I357 HydrophobicContact CB-CG1 4.01Å
331	R	98.3	Very high	97.4	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.026	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19	171.5	-64.9	-175.6	-170	-59.6	0.8	113.4	M92 P275 H277 E327 Q329 F352	M92-R331 WeakPolarHBondContact O-CD 3.29Å; P275-R331 WeakPolarHBondContact O-CD 3.4Å; P275-R331 WeakPolarHBondContact O-CG 3.49Å; P275-R331 PolarHBondContact O-NH1 3.4Å; H277-R331 PolarHBondContact N-O 3.25Å; E327-R331 WeakPolarHBondContact O-CG 3.45Å; E327-R331 PolarHBondContact O-N 3.02Å; E327-R331 IonicContact OE1-CZ 3.73Å; E327-R331 IonicContact OE1-NE 3.1Å; E327-R331 PolarHBondContact OE1-NE 3.45Å; E327-R331 IonicContact OE1-NH2 2.68Å; E327-R331 PolarHBondContact OE1-NH2 3.41Å; Q329-R331 VanDerWaalsContact C-N 3.33Å; Q329-R331 PolarHBondContact O-N 2.74Å; R331-F352 HydrophobicContact CB-CD1 4.44Å; R331-F352 HydrophobicContact CB-CE1 4.3Å; R331-F352 HydrophobicContact CG-CD1 3.55Å; R331-F352 HydrophobicContact CG-CE1 3.75Å; R331-F352 HydrophobicContact CG-CG 4.11Å; R331-F352 HydrophobicContact CG-CZ 4.46Å; R331-F352 VanDerWaalsContact NH1-CG 3.26Å
332	H	97.8	Very high	97.4	Very high	3 Å²	3	23 Å²	23	1%	0.014	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	40.2	179.8	-63.3	85.8	0	0	0	111.3	D93 A200 A201 K205 Y318 I319 H328 Q329 A330	D93-H332 IonicContact OD2-CE1 3.07Å; D93-H332 IonicContact OD2-NE2 3.04Å; D93-H332 PolarHBondContact OD2-NE2 2.78Å; A200-H332 PolarHBondContact O-CE1 2.83Å; A200-H332 PolarHBondContact O-NE2 3.31Å; A201-H332 HydrophobicContact CB-CB 4.19Å; K205-H332 PolarHBondContact NZ-NE2 2.91Å; Y318-H332 AromaticContact CD2-CD2 3.91Å; Y318-H332 AromaticContact CE2-CD2 3.82Å; I319-H332 CarbonylContact C-O 3.6Å; I319-H332 WeakPolarHBondContact CA-O 3.45Å; I319-H332 HydrophobicContact CG2-CB 4.04Å; I319-H332 VanDerWaalsContact O-O 3.08Å; H328-H332 PolarHBondContact O-N 3.27Å; H328-H332 PolarHBondContact O-ND1 2.9Å; Q329-H332 CarbonylContact O-C 3.54Å; Q329-H332 WeakPolarHBondContact O-CA 3.32Å; Q329-H332 PolarHBondContact O-N 2.7Å; A330-H332 PolarHBondContact O-N 3.03Å
333	S	98.4	Very high	97.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.			trans	-132	111.9	179.9	169.3	0	0	0	0	110.2	C321 Q329 A330 Q335 F336 N337	C321-S333 VanDerWaalsContact O-CB 3.3Å; C321-S333 WeakPolarHBondContact O-CB 3.48Å; C321-S333 PolarHBondContact O-OG 3.19Å; Q329-S333 WeakPolarHBondContact O-CB 3.26Å; Q329-S333 PolarHBondContact O-N 3.02Å; A330-S333 PolarHBondContact O-N 3.19Å; S333-Q335 VanDerWaalsContact C-N 3.28Å; S333-Q335 PolarHBondContact O-N 3.12Å; S333-F336 PolarHBondContact O-N 3.27Å; S333-F336 WeakPolarHBondContact OG-CB 3.47Å; S333-F336 PolarHBondContact OG-N 2.93Å; S333-N337 PolarHBondContact O-N 3.5Å; S333-N337 PolarHBondContact O-ND2 2.93Å
334	F	98.2	Very high	97.4	Very high	1 Å²	1	20 Å²	20	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-52.4	-52	170.4	-72.3	-53.1	0	0	0	110.7	A279 M280 L283 L311 V313 I319 F336 N337 A338	A279-F334 HydrophobicContact CB-CE1 3.83Å; A279-F334 HydrophobicContact CB-CZ 4.31Å; M280-F334 HydrophobicContact CE-CD1 3.31Å; M280-F334 HydrophobicContact CE-CE1 3.59Å; M280-F334 HydrophobicContact CE-CG 3.94Å; M280-F334 HydrophobicContact CE-CZ 4.37Å; M280-F334 VanDerWaalsContact SD-CA 3.58Å; M280-F334 HydrophobicContact SD-CD1 3.76Å; M280-F334 HydrophobicContact SD-CE1 4.45Å; M280-F334 HydrophobicContact SD-CG 4.4Å; L283-F334 VanDerWaalsContact CD2-C 3.44Å; L283-F334 VanDerWaalsContact CD2-CA 3.43Å; L283-F334 HydrophobicContact CD2-CB 3.59Å; L283-F334 HydrophobicContact CD2-CD1 3.73Å; L283-F334 HydrophobicContact CD2-CG 4.12Å; L283-F334 WeakPolarHBondContact CD2-O 3.08Å; L311-F334 HydrophobicContact CD1-CB 4.21Å; V313-F334 HydrophobicContact CB-CD2 4.34Å; V313-F334 HydrophobicContact CB-CE1 4.17Å; V313-F334 HydrophobicContact CB-CE2 4Å; V313-F334 HydrophobicContact CB-CZ 3.89Å; V313-F334 HydrophobicContact CG1-CD1 4.16Å; V313-F334 HydrophobicContact CG1-CE1 4.2Å; V313-F334 HydrophobicContact CG1-CG 4.3Å; V313-F334 HydrophobicContact CG1-CZ 4.41Å; V313-F334 HydrophobicContact CG2-CD2 3.81Å; V313-F334 HydrophobicContact CG2-CE2 3.64Å; V313-F334 HydrophobicContact CG2-CG 4.38Å; V313-F334 HydrophobicContact CG2-CZ 4.08Å; I319-F334 HydrophobicContact CD1-CE1 3.77Å; I319-F334 HydrophobicContact CD1-CE2 3.77Å; I319-F334 HydrophobicContact CD1-CZ 3.26Å; I319-F334 HydrophobicContact CG1-CD2 4.27Å; I319-F334 HydrophobicContact CG1-CE1 4.37Å; I319-F334 HydrophobicContact CG1-CE2 3.61Å; I319-F334 HydrophobicContact CG1-CZ 3.68Å; I319-F334 WeakPolarHBondContact O-CD2 3.15Å; I319-F334 PolarHBondContact O-N 3.35Å; F334-F336 PolarHBondContact O-N 3.5Å; F334-N337 PolarHBondContact O-N 3.27Å; F334-A338 PolarHBondContact O-N 3.36Å
335	Q	98.3	Very high	97.2	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-47.6	-175.1	-58.4	91.7	-35.3	0	0	111.7	L311 N320 C321 P322 S333 N337 A338 C339 L366 V369 V371	L311-Q335 HydrophobicContact CD1-CG 4.33Å; N320-Q335 PolarHBondContact OD1-NE2 3.36Å; C321-Q335 PolarHBondContact O-OE1 3.29Å; P322-Q335 HydrophobicContact CB-CG 4.49Å; S333-Q335 VanDerWaalsContact C-N 3.28Å; S333-Q335 PolarHBondContact O-N 3.12Å; Q335-N337 PolarHBondContact O-N 3.41Å; Q335-A338 PolarHBondContact O-N 2.8Å; Q335-C339 WeakPolarHBondContact O-CB 3.36Å; Q335-C339 PolarHBondContact O-N 3.44Å; Q335-C339 PolarHBondContact O-SG 2.98Å; Q335-L366 VanDerWaalsContact C-CD2 3.47Å; Q335-L366 HydrophobicContact CB-CD2 3.54Å; Q335-V369 HydrophobicContact CB-CG1 4.15Å; Q335-V369 HydrophobicContact CG-CB 4.24Å; Q335-V369 HydrophobicContact CG-CG1 3.62Å; Q335-V371 HydrophobicContact CG-CG2 4.04Å
336	F	98.6	Very high	97.1	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-46.1	178.6	174.3	-91	0	0	0	112.8	P324 A330 S333 F334 C339 S340 S351 F352 I357 L362	P324-F336 HydrophobicContact CG-CB 3.78Å; P324-F336 HydrophobicContact CG-CD2 4.01Å; P324-F336 HydrophobicContact CG-CG 4.11Å; A330-F336 HydrophobicContact CB-CD1 3.82Å; A330-F336 HydrophobicContact CB-CD2 4.1Å; A330-F336 HydrophobicContact CB-CE1 3.93Å; A330-F336 HydrophobicContact CB-CE2 4.19Å; A330-F336 HydrophobicContact CB-CG 3.94Å; A330-F336 HydrophobicContact CB-CZ 4.12Å; A330-F336 WeakPolarHBondContact O-CD1 3.32Å; S333-F336 PolarHBondContact O-N 3.27Å; S333-F336 WeakPolarHBondContact OG-CB 3.47Å; S333-F336 PolarHBondContact OG-N 2.93Å; F334-F336 PolarHBondContact O-N 3.5Å; F336-C339 PolarHBondContact O-N 2.99Å; F336-S340 WeakPolarHBondContact CZ-OG 3.45Å; F336-S340 VanDerWaalsContact O-CB 3.27Å; F336-S340 WeakPolarHBondContact O-CB 3.26Å; F336-S340 PolarHBondContact O-N 2.98Å; F336-S340 PolarHBondContact O-OG 3.19Å; F336-S351 VanDerWaalsContact CZ-O 3.31Å; F336-S351 WeakPolarHBondContact CZ-O 3.31Å; F336-F352 HydrophobicContact CD1-CE1 4.11Å; F336-F352 AromaticContact CE1-CD1 3.79Å; F336-F352 HydrophobicContact CE1-CD1 3.79Å; F336-F352 AromaticContact CE1-CE1 3.62Å; F336-F352 HydrophobicContact CE1-CE1 3.62Å; F336-F352 HydrophobicContact CE1-CZ 4.32Å; F336-F352 HydrophobicContact CZ-CD1 4.45Å; F336-I357 HydrophobicContact CE2-CB 4.42Å; F336-I357 HydrophobicContact CE2-CG1 3.84Å; F336-I357 HydrophobicContact CZ-CG1 4.11Å; F336-L362 HydrophobicContact CD2-CD1 4.43Å; F336-L362 HydrophobicContact CD2-CD2 3.7Å; F336-L362 HydrophobicContact CE2-CD2 3.47Å; F336-L362 VanDerWaalsContact CE2-CD2 3.47Å
337	N	98.6	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.6	-37.8	-176.2	-74.4	-86.9	0	0	0	111.4	M280 V284 A330 S333 F334 Q335 A341	M280-N337 HydrophobicContact CB-CB 4.05Å; M280-N337 HydrophobicContact CG-CB 4.23Å; M280-N337 HydrophobicContact SD-CB 4.02Å; V284-N337 HydrophobicContact CG2-CB 4.07Å; A330-N337 PolarHBondContact O-ND2 3.42Å; S333-N337 PolarHBondContact O-N 3.5Å; S333-N337 PolarHBondContact O-ND2 2.93Å; F334-N337 PolarHBondContact O-N 3.27Å; Q335-N337 PolarHBondContact O-N 3.41Å; N337-A341 VanDerWaalsContact O-CB 3.31Å; N337-A341 WeakPolarHBondContact O-CB 3.43Å; N337-A341 PolarHBondContact O-N 2.85Å
338	A	98.5	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61	-53.4	170.8	0	0	0	0	0	111.2	L283 L311 F334 Q335 S340 A341 L342	L283-A338 HydrophobicContact CD2-CB 3.9Å; L283-A338 HydrophobicContact CG-CB 4.02Å; L311-A338 HydrophobicContact CD1-CB 4.06Å; L311-A338 HydrophobicContact CD2-CB 3.74Å; F334-A338 PolarHBondContact O-N 3.36Å; Q335-A338 PolarHBondContact O-N 2.8Å; A338-S340 VanDerWaalsContact C-N 3.34Å; A338-S340 PolarHBondContact O-N 3.14Å; A338-A341 WeakPolarHBondContact O-CB 3.21Å; A338-A341 PolarHBondContact O-N 3Å; A338-L342 VanDerWaalsContact O-CG 3.31Å; A338-L342 WeakPolarHBondContact O-CG 3.41Å; A338-L342 PolarHBondContact O-N 3.18Å
339	C	98.4	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-38.4	-177.8	-67.3	0	0	0	0	112.7	Q335 F336 L342 L343 L362 L365 L366 V369	Q335-C339 WeakPolarHBondContact O-CB 3.36Å; Q335-C339 PolarHBondContact O-N 3.44Å; Q335-C339 PolarHBondContact O-SG 2.98Å; F336-C339 PolarHBondContact O-N 2.99Å; C339-L342 PolarHBondContact O-N 2.86Å; C339-L343 WeakPolarHBondContact O-CB 3.04Å; C339-L343 VanDerWaalsContact O-CG 3.26Å; C339-L343 WeakPolarHBondContact O-CG 3.41Å; C339-L343 PolarHBondContact O-N 3.18Å; C339-L362 HydrophobicContact CB-CD1 3.52Å; C339-L365 HydrophobicContact CB-CB 4.42Å; C339-L365 HydrophobicContact CB-CD2 3.79Å; C339-L365 HydrophobicContact CB-CG 4.09Å; C339-L366 HydrophobicContact CB-CD2 4.23Å; C339-V369 WeakPolarHBondContact SG-CG2 3.21Å
340	S	98.3	Very high	97.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-41.3	176	-57.7	0	0	0	0	111.3	F336 A338 L342 L343 D344	F336-S340 WeakPolarHBondContact CZ-OG 3.45Å; F336-S340 VanDerWaalsContact O-CB 3.27Å; F336-S340 WeakPolarHBondContact O-CB 3.26Å; F336-S340 PolarHBondContact O-N 2.98Å; F336-S340 PolarHBondContact O-OG 3.19Å; A338-S340 VanDerWaalsContact C-N 3.34Å; A338-S340 PolarHBondContact O-N 3.14Å; S340-L342 VanDerWaalsContact C-N 3.32Å; S340-L342 PolarHBondContact O-N 2.95Å; S340-L343 PolarHBondContact O-N 2.79Å; S340-D344 WeakPolarHBondContact O-CB 3.38Å; S340-D344 PolarHBondContact O-N 2.7Å
341	A	97.9	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-38.7	174.1	0	0	0	0	0	112.7	V284 A287 Q288 N337 A338 G345 V347	V284-A341 HydrophobicContact CB-CB 4.36Å; V284-A341 HydrophobicContact CG1-CB 3.98Å; V284-A341 HydrophobicContact CG2-CB 4.22Å; A287-A341 HydrophobicContact CB-CB 4.08Å; Q288-A341 HydrophobicContact CG-CB 4.33Å; N337-A341 VanDerWaalsContact O-CB 3.31Å; N337-A341 WeakPolarHBondContact O-CB 3.43Å; N337-A341 PolarHBondContact O-N 2.85Å; A338-A341 WeakPolarHBondContact O-CB 3.21Å; A338-A341 PolarHBondContact O-N 3Å; A341-G345 WeakPolarHBondContact O-CA 3.28Å; A341-G345 PolarHBondContact O-N 2.67Å; A341-V347 HydrophobicContact CB-CG2 4.1Å
342	L	97.6	Very high	97.2	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-68.5	-42.5	177.1	-67.2	175.2	0	0	0	112.4	A287 L291 L303 V309 A338 C339 S340 L365 I390	A287-L342 HydrophobicContact CB-CD2 4.08Å; A287-L342 HydrophobicContact CB-CG 4.23Å; A287-L342 WeakPolarHBondContact O-CD2 3.27Å; L291-L342 HydrophobicContact CB-CD2 3.92Å; L291-L342 WeakPolarHBondContact CD2-O 3.5Å; L303-L342 WeakPolarHBondContact CD2-O 3.49Å; V309-L342 HydrophobicContact CG1-CD1 4.19Å; V309-L342 HydrophobicContact CG2-CD1 4Å; A338-L342 VanDerWaalsContact O-CG 3.31Å; A338-L342 WeakPolarHBondContact O-CG 3.41Å; A338-L342 PolarHBondContact O-N 3.18Å; C339-L342 PolarHBondContact O-N 2.86Å; S340-L342 VanDerWaalsContact C-N 3.32Å; S340-L342 PolarHBondContact O-N 2.95Å; L342-L365 HydrophobicContact CB-CD2 4.08Å; L342-L365 HydrophobicContact CD1-CD2 4.2Å; L342-I390 HydrophobicContact CD2-CD1 3.57Å; L342-I390 HydrophobicContact CD2-CG1 4.44Å
343	L	96.6	Very high	97.1	Very high	39 Å²	39	26 Å²	26	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-41.6	-177.3	-70.5	170.1	0	0	0	112.8	L303 C339 S340 L362 L365	L303-L343 HydrophobicContact CD1-CD2 4.15Å; C339-L343 WeakPolarHBondContact O-CB 3.04Å; C339-L343 VanDerWaalsContact O-CG 3.26Å; C339-L343 WeakPolarHBondContact O-CG 3.41Å; C339-L343 PolarHBondContact O-N 3.18Å; S340-L343 PolarHBondContact O-N 2.79Å; L343-L362 HydrophobicContact CD1-CB 4.03Å; L343-L362 HydrophobicContact CD1-CD1 4.11Å; L343-L365 HydrophobicContact CD1-CD2 4.19Å; L343-L365 HydrophobicContact CD2-CD2 4.08Å; L343-L365 HydrophobicContact CG-CD2 3.8Å
344	D	95.6	Very high	97	Very high	64 Å²	64	30.1 Å²	30.1	34%	0.342	18%	0.18	S	C	.	.	H	α-helix	trans	-105.6	-5.9	-169.4	-54.9	-39.1	0	0	0	113.1	S340 K346 R359	S340-D344 WeakPolarHBondContact O-CB 3.38Å; S340-D344 PolarHBondContact O-N 2.7Å; D344-K346 PolarHBondContact O-N 3.21Å; D344-R359 IonicContact OD1-CZ 3.44Å; D344-R359 IonicContact OD1-NH1 2.68Å; D344-R359 PolarHBondContact OD1-NH1 3.26Å; D344-R359 IonicContact OD1-NH2 3.63Å; D344-R359 PolarHBondContact OD1-NH2 2.63Å; D344-R359 VanDerWaalsContact OD1-NH2 3.12Å; D344-R359 IonicContact OD2-CZ 3.52Å; D344-R359 IonicContact OD2-NH1 3.29Å; D344-R359 PolarHBondContact OD2-NH1 3.46Å; D344-R359 IonicContact OD2-NH2 2.85Å; D344-R359 PolarHBondContact OD2-NH2 2.86Å
345	G	92.8	Very high	96.9	Very high	40 Å²	40	33.6 Å²	33.6	41%	0.412	21%	0.209	S	C	.	.	S	Bend	trans	66.7	-2	-171.8	0	0	0	0	0	114.1	Q288 A341	Q288-G345 PolarHBondContact NE2-O 3.4Å; A341-G345 WeakPolarHBondContact O-CA 3.28Å; A341-G345 PolarHBondContact O-N 2.67Å
346	K	93.4	Very high	96.9	Very high	131 Å²	131	36.7 Å²	36.7	57%	0.57	22%	0.224	S	C	*	.	S	Bend	trans	-159.2	158.9	179.7	62.1	-175.7	178.1	-174.7	0	111.6	D344 T348	D344-K346 PolarHBondContact O-N 3.21Å; K346-T348 HydrophobicContact CD-CG2 3.89Å; K346-T348 HydrophobicContact CG-CG2 4.03Å
347	V	97.8	Very high	96.8	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.073	22%	0.224	C	C	.	.			trans	-116.8	131.5	167.5	179.4	0	0	0	0	108	I274 V284 A341 F352	I274-V347 HydrophobicContact CB-CG1 4.23Å; I274-V347 HydrophobicContact CD1-CB 4.32Å; I274-V347 HydrophobicContact CD1-CG1 4.16Å; I274-V347 HydrophobicContact CG2-CB 4.04Å; I274-V347 HydrophobicContact CG2-CG1 4.25Å; I274-V347 WeakPolarHBondContact CG2-O 3.5Å; V284-V347 HydrophobicContact CG1-CG2 4.32Å; V284-V347 HydrophobicContact CG2-CB 4.33Å; V284-V347 HydrophobicContact CG2-CG2 3.72Å; A341-V347 HydrophobicContact CB-CG2 4.1Å; V347-F352 HydrophobicContact CG1-CE2 3.76Å; V347-F352 HydrophobicContact CG1-CZ 3.77Å
348	T	96.7	Very high	96.6	Very high	53 Å²	53	40.8 Å²	40.8	33%	0.325	25%	0.246	S	C	.	.			trans	-134.1	179.9	-175.8	68	0	0	0	0	110.5	K346 A350 S351 F352	K346-T348 HydrophobicContact CD-CG2 3.89Å; K346-T348 HydrophobicContact CG-CG2 4.03Å; T348-A350 VanDerWaalsContact C-N 3.29Å; T348-A350 PolarHBondContact O-N 3.03Å; T348-A350 PolarHBondContact OG1-N 3.45Å; T348-S351 PolarHBondContact N-OG 2.83Å; T348-S351 WeakPolarHBondContact O-CB 3.33Å; T348-S351 PolarHBondContact O-N 3.47Å; T348-S351 PolarHBondContact O-OG 2.9Å; T348-S351 PolarHBondContact OG1-OG 3.11Å; T348-F352 VanDerWaalsContact O-CD2 3.3Å; T348-F352 WeakPolarHBondContact O-CD2 3.38Å; T348-F352 WeakPolarHBondContact O-CE2 3.13Å
349	V	95.5	Very high	96.6	Very high	53 Å²	53	43 Å²	43	32%	0.321	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-54.3	-46.5	171.9	172.1	0	0	0	0	111.7	L43 M92 F94 P275 S351 F352	L43-V349 HydrophobicContact CD2-CG2 4Å; M92-V349 HydrophobicContact CE-CB 4.33Å; M92-V349 HydrophobicContact CE-CG1 3.51Å; M92-V349 HydrophobicContact CE-CG2 4.05Å; F94-V349 HydrophobicContact CE1-CG2 4.01Å; P275-V349 HydrophobicContact CG-CG2 4.04Å; V349-S351 PolarHBondContact O-N 3.43Å; V349-F352 PolarHBondContact O-N 3.41Å
350	A	96.3	Very high	96.5	Very high	49 Å²	49	48.1 Å²	48.1	41%	0.405	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-67.6	-20.2	-178.1	0	0	0	0	0	113.4	T348 F352 D353 Q356	T348-A350 VanDerWaalsContact C-N 3.29Å; T348-A350 PolarHBondContact O-N 3.03Å; T348-A350 PolarHBondContact OG1-N 3.45Å; A350-F352 PolarHBondContact O-N 3.15Å; A350-F352 VanDerWaalsContact O-N 3.12Å; A350-D353 WeakPolarHBondContact O-CB 3.24Å; A350-D353 PolarHBondContact O-N 2.97Å; A350-D353 VanDerWaalsContact O-N 3.09Å; A350-Q356 WeakPolarHBondContact O-CG 3.35Å
351	S	97.8	Very high	96.4	Very high	8 Å²	8	50.5 Å²	50.5	6%	0.056	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28	176.8	-59.4	0	0	0	0	111.8	F336 T348 V349 D353 Q356	F336-S351 VanDerWaalsContact CZ-O 3.31Å; F336-S351 WeakPolarHBondContact CZ-O 3.31Å; T348-S351 PolarHBondContact N-OG 2.83Å; T348-S351 WeakPolarHBondContact O-CB 3.33Å; T348-S351 PolarHBondContact O-N 3.47Å; T348-S351 PolarHBondContact O-OG 2.9Å; T348-S351 PolarHBondContact OG1-OG 3.11Å; V349-S351 PolarHBondContact O-N 3.43Å; S351-D353 VanDerWaalsContact C-N 3.34Å; S351-Q356 VanDerWaalsContact O-CB 3.3Å; S351-Q356 WeakPolarHBondContact O-CB 3.36Å
352	F	97.9	Very high	96.4	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-90.4	6.5	-177.8	-56.7	-86.7	0	0	0	113.9	P275 A276 E327 A330 R331 F336 V347 T348 V349 A350 I357	P275-F352 HydrophobicContact CG-CD2 3.94Å; P275-F352 HydrophobicContact CG-CE2 3.76Å; A276-F352 HydrophobicContact CB-CE1 4.33Å; A276-F352 HydrophobicContact CB-CZ 3.86Å; E327-F352 HydrophobicContact CG-CB 3.97Å; A330-F352 HydrophobicContact CB-CD1 3.95Å; A330-F352 HydrophobicContact CB-CE1 4.48Å; R331-F352 HydrophobicContact CB-CD1 4.44Å; R331-F352 HydrophobicContact CB-CE1 4.3Å; R331-F352 HydrophobicContact CG-CD1 3.55Å; R331-F352 HydrophobicContact CG-CE1 3.75Å; R331-F352 HydrophobicContact CG-CG 4.11Å; R331-F352 HydrophobicContact CG-CZ 4.46Å; R331-F352 VanDerWaalsContact NH1-CG 3.26Å; F336-F352 HydrophobicContact CD1-CE1 4.11Å; F336-F352 AromaticContact CE1-CD1 3.79Å; F336-F352 HydrophobicContact CE1-CD1 3.79Å; F336-F352 AromaticContact CE1-CE1 3.62Å; F336-F352 HydrophobicContact CE1-CE1 3.62Å; F336-F352 HydrophobicContact CE1-CZ 4.32Å; F336-F352 HydrophobicContact CZ-CD1 4.45Å; V347-F352 HydrophobicContact CG1-CE2 3.76Å; V347-F352 HydrophobicContact CG1-CZ 3.77Å; T348-F352 VanDerWaalsContact O-CD2 3.3Å; T348-F352 WeakPolarHBondContact O-CD2 3.38Å; T348-F352 WeakPolarHBondContact O-CE2 3.13Å; V349-F352 PolarHBondContact O-N 3.41Å; A350-F352 PolarHBondContact O-N 3.15Å; A350-F352 VanDerWaalsContact O-N 3.12Å; F352-I357 WeakPolarHBondContact O-CD1 3.22Å
353	D	96.3	Very high	96.4	Very high	82 Å²	82	53.1 Å²	53.1	44%	0.439	32%	0.319	S	S	.	.	S	Bend	trans	-65.7	144.2	175.3	-72.8	-27.2	0	0	0	111	A350 S351 A355 Q356 I357	A350-D353 WeakPolarHBondContact O-CB 3.24Å; A350-D353 PolarHBondContact O-N 2.97Å; A350-D353 VanDerWaalsContact O-N 3.09Å; S351-D353 VanDerWaalsContact C-N 3.34Å; D353-A355 PolarHBondContact O-N 3.45Å; D353-Q356 HydrophobicContact CB-CG 4.32Å; D353-Q356 PolarHBondContact O-N 3.27Å; D353-I357 PolarHBondContact O-N 3.41Å
354	P	95.5	Very high	96.4	Very high	87 Å²	87	56.2 Å²	56.2	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-53.8	-33.1	-179.8	-28.7	35.3	0	0	0	114.1	N358	P354-N358 WeakPolarHBondContact O-CB 3.42Å; P354-N358 PolarHBondContact O-N 3.22Å; P354-N358 PolarHBondContact O-ND2 3.28Å
355	A	96.5	Very high	96.6	Very high	75 Å²	75	53.5 Å²	53.5	62%	0.62	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-40.7	175.9	0	0	0	0	0	112.2	D353 N358 R359	D353-A355 PolarHBondContact O-N 3.45Å; A355-N358 PolarHBondContact O-N 2.98Å; A355-R359 PolarHBondContact O-N 3.37Å
356	Q	97.5	Very high	96.8	Very high	72 Å²	72	51.8 Å²	51.8	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-72.2	-37.4	178	-60.7	-54.9	-31.3	0	0	111.7	A350 S351 D353 N358 R359 L362	A350-Q356 WeakPolarHBondContact O-CG 3.35Å; S351-Q356 VanDerWaalsContact O-CB 3.3Å; S351-Q356 WeakPolarHBondContact O-CB 3.36Å; D353-Q356 HydrophobicContact CB-CG 4.32Å; D353-Q356 PolarHBondContact O-N 3.27Å; Q356-N358 PolarHBondContact O-N 3.29Å; Q356-R359 WeakPolarHBondContact O-CD 3.28Å; Q356-R359 VanDerWaalsContact O-CG 3.27Å; Q356-R359 WeakPolarHBondContact O-CG 3.42Å; Q356-L362 VanDerWaalsContact O-CD2 3.31Å; Q356-L362 WeakPolarHBondContact O-CD2 3.31Å
357	I	97.2	Very high	97	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-31.1	176.3	-66.5	170.3	0	0	0	112.3	P324 A330 F336 F352 D353 K363	P324-I357 WeakPolarHBondContact O-CG2 3.18Å; A330-I357 HydrophobicContact CB-CD1 3.73Å; A330-I357 HydrophobicContact CB-CG1 4.01Å; F336-I357 HydrophobicContact CE2-CB 4.42Å; F336-I357 HydrophobicContact CE2-CG1 3.84Å; F336-I357 HydrophobicContact CZ-CG1 4.11Å; F352-I357 WeakPolarHBondContact O-CD1 3.22Å; D353-I357 PolarHBondContact O-N 3.41Å; I357-K363 WeakPolarHBondContact O-CE 3.31Å; I357-K363 PolarHBondContact O-NZ 3.38Å
358	N	95.4	Very high	97.1	Very high	85 Å²	85	51 Å²	51	46%	0.455	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	5.7	-173.5	-67.3	-56.5	0	0	0	114.7	P354 A355 Q356	P354-N358 WeakPolarHBondContact O-CB 3.42Å; P354-N358 PolarHBondContact O-N 3.22Å; P354-N358 PolarHBondContact O-ND2 3.28Å; A355-N358 PolarHBondContact O-N 2.98Å; Q356-N358 PolarHBondContact O-N 3.29Å
359	R	96.7	Very high	97.1	Very high	46 Å²	46	49.7 Å²	49.7	17%	0.174	30%	0.297	C	S	.	.			trans	-65.4	138.7	-179.1	70.3	-165.6	176.2	160.6	2.7	112.1	D344 A355 Q356 A361 L362 K363	D344-R359 IonicContact OD1-CZ 3.44Å; D344-R359 IonicContact OD1-NH1 2.68Å; D344-R359 PolarHBondContact OD1-NH1 3.26Å; D344-R359 IonicContact OD1-NH2 3.63Å; D344-R359 PolarHBondContact OD1-NH2 2.63Å; D344-R359 VanDerWaalsContact OD1-NH2 3.12Å; D344-R359 IonicContact OD2-CZ 3.52Å; D344-R359 IonicContact OD2-NH1 3.29Å; D344-R359 PolarHBondContact OD2-NH1 3.46Å; D344-R359 IonicContact OD2-NH2 2.85Å; D344-R359 PolarHBondContact OD2-NH2 2.86Å; A355-R359 PolarHBondContact O-N 3.37Å; Q356-R359 WeakPolarHBondContact O-CD 3.28Å; Q356-R359 VanDerWaalsContact O-CG 3.27Å; Q356-R359 WeakPolarHBondContact O-CG 3.42Å; R359-A361 PolarHBondContact O-N 3.08Å; R359-L362 HydrophobicContact CG-CB 3.49Å; R359-L362 VanDerWaalsContact CG-CB 3.49Å; R359-L362 PolarHBondContact O-N 2.99Å; R359-K363 PolarHBondContact O-N 3.41Å
360	P	97.1	Very high	97.3	Very high	108 Å²	108	50.9 Å²	50.9	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-55.8	-45.2	-176.2	-29.3	35.9	0	0	0	114.5	L362 K363 E364	P360-L362 VanDerWaalsContact C-N 3.26Å; P360-L362 PolarHBondContact O-N 3.48Å; P360-K363 PolarHBondContact O-N 2.92Å; P360-K363 VanDerWaalsContact O-N 3.08Å; P360-E364 PolarHBondContact O-N 3.45Å
361	A	96.8	Very high	97.4	Very high	53 Å²	53	50.6 Å²	50.6	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-35.7	-179.4	0	0	0	0	0	113	R359 L365	R359-A361 PolarHBondContact O-N 3.08Å; A361-L365 PolarHBondContact O-N 3.34Å
362	L	97.6	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-45.4	174.9	176.4	67	0	0	0	111.4	F336 C339 L343 Q356 R359 P360 E364 L365 L366	F336-L362 HydrophobicContact CD2-CD1 4.43Å; F336-L362 HydrophobicContact CD2-CD2 3.7Å; F336-L362 HydrophobicContact CE2-CD2 3.47Å; F336-L362 VanDerWaalsContact CE2-CD2 3.47Å; C339-L362 HydrophobicContact CB-CD1 3.52Å; L343-L362 HydrophobicContact CD1-CB 4.03Å; L343-L362 HydrophobicContact CD1-CD1 4.11Å; Q356-L362 VanDerWaalsContact O-CD2 3.31Å; Q356-L362 WeakPolarHBondContact O-CD2 3.31Å; R359-L362 HydrophobicContact CG-CB 3.49Å; R359-L362 VanDerWaalsContact CG-CB 3.49Å; R359-L362 PolarHBondContact O-N 2.99Å; P360-L362 VanDerWaalsContact C-N 3.26Å; P360-L362 PolarHBondContact O-N 3.48Å; L362-E364 VanDerWaalsContact C-N 3.27Å; L362-E364 PolarHBondContact O-N 2.9Å; L362-L365 PolarHBondContact O-N 2.83Å; L362-L366 HydrophobicContact CD1-CD1 4.29Å; L362-L366 HydrophobicContact CD1-CG 4.18Å; L362-L366 HydrophobicContact CG-CD1 3.95Å; L362-L366 HydrophobicContact CG-CG 4.29Å; L362-L366 WeakPolarHBondContact O-CB 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.22Å; L362-L366 PolarHBondContact O-N 2.93Å
363	K	97.4	Very high	97.4	Very high	57 Å²	57	58 Å²	58	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-37.5	178.6	-62.1	-59.1	-175.6	-168.7	0	111.5	P324 I357 R359 P360 L366 S367	P324-K363 PolarHBondContact O-NZ 2.93Å; P324-K363 VanDerWaalsContact O-NZ 3.11Å; I357-K363 WeakPolarHBondContact O-CE 3.31Å; I357-K363 PolarHBondContact O-NZ 3.38Å; R359-K363 PolarHBondContact O-N 3.41Å; P360-K363 PolarHBondContact O-N 2.92Å; P360-K363 VanDerWaalsContact O-N 3.08Å; K363-L366 HydrophobicContact CD-CD1 4.28Å; K363-S367 PolarHBondContact O-N 3.32Å
364	E	97.6	Very high	97.4	Very high	104 Å²	104	55.4 Å²	55.4	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-49.9	173	-167.5	-162.6	142.4	0	0	111.3	P360 L362 L366 S367 K368	P360-E364 PolarHBondContact O-N 3.45Å; L362-E364 VanDerWaalsContact C-N 3.27Å; L362-E364 PolarHBondContact O-N 2.9Å; E364-L366 VanDerWaalsContact C-N 3.35Å; E364-L366 PolarHBondContact O-N 2.9Å; E364-S367 PolarHBondContact O-N 3.39Å; E364-S367 PolarHBondContact O-OG 2.78Å; E364-K368 WeakPolarHBondContact OE1-CE 3.33Å; E364-K368 IonicContact OE1-NZ 3.37Å; E364-K368 PolarHBondContact OE1-NZ 3.03Å
365	L	97.9	Very high	97.5	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-37.8	-179.6	-172	58.5	0	0	0	112.2	I306 V309 C339 L342 L343 A361 L362 S367 K368	I306-L365 HydrophobicContact CB-CD1 4.22Å; I306-L365 HydrophobicContact CD1-CD1 4.17Å; I306-L365 HydrophobicContact CG2-CD1 3.8Å; V309-L365 HydrophobicContact CG2-CD1 4.04Å; C339-L365 HydrophobicContact CB-CB 4.42Å; C339-L365 HydrophobicContact CB-CD2 3.79Å; C339-L365 HydrophobicContact CB-CG 4.09Å; L342-L365 HydrophobicContact CB-CD2 4.08Å; L342-L365 HydrophobicContact CD1-CD2 4.2Å; L343-L365 HydrophobicContact CD1-CD2 4.19Å; L343-L365 HydrophobicContact CD2-CD2 4.08Å; L343-L365 HydrophobicContact CG-CD2 3.8Å; A361-L365 PolarHBondContact O-N 3.34Å; L362-L365 PolarHBondContact O-N 2.83Å; L365-S367 PolarHBondContact O-N 3.41Å; L365-K368 HydrophobicContact CD1-CD 4.42Å; L365-K368 WeakPolarHBondContact O-CB 3.41Å; L365-K368 PolarHBondContact O-N 3.46Å
366	L	98.4	Very high	97.5	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-34.5	175	-75.1	172.1	0	0	0	112.6	P322 F323 Q335 C339 L362 K363 E364 K368 V369	P322-L366 WeakPolarHBondContact O-CD2 3.36Å; F323-L366 HydrophobicContact CD1-CB 4.15Å; F323-L366 HydrophobicContact CD1-CD1 4.35Å; F323-L366 HydrophobicContact CE1-CB 3.83Å; Q335-L366 VanDerWaalsContact C-CD2 3.47Å; Q335-L366 HydrophobicContact CB-CD2 3.54Å; C339-L366 HydrophobicContact CB-CD2 4.23Å; L362-L366 HydrophobicContact CD1-CD1 4.29Å; L362-L366 HydrophobicContact CD1-CG 4.18Å; L362-L366 HydrophobicContact CG-CD1 3.95Å; L362-L366 HydrophobicContact CG-CG 4.29Å; L362-L366 WeakPolarHBondContact O-CB 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.22Å; L362-L366 PolarHBondContact O-N 2.93Å; K363-L366 HydrophobicContact CD-CD1 4.28Å; E364-L366 VanDerWaalsContact C-N 3.35Å; E364-L366 PolarHBondContact O-N 2.9Å; L366-K368 PolarHBondContact O-N 3.39Å; L366-V369 PolarHBondContact O-N 3.4Å
367	S	97.9	Very high	97.5	Very high	81 Å²	81	53 Å²	53	57%	0.566	31%	0.311	S	S	*	.	H	α-helix	trans	-69.1	-15.4	178.3	81.7	0	0	0	0	113.4	K363 E364 L365	K363-S367 PolarHBondContact O-N 3.32Å; E364-S367 PolarHBondContact O-N 3.39Å; E364-S367 PolarHBondContact O-OG 2.78Å; L365-S367 PolarHBondContact O-N 3.41Å
368	K	98.3	Very high	97.3	Very high	44 Å²	44	57.8 Å²	57.8	19%	0.191	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.9	178.5	-54.7	176.4	-172.9	173.1	0	112.9	I306 V309 E364 L365 L366	I306-K368 WeakPolarHBondContact O-CD 3.27Å; I306-K368 WeakPolarHBondContact O-CE 3.39Å; I306-K368 PolarHBondContact O-NZ 3.14Å; V309-K368 PolarHBondContact N-O 3.28Å; E364-K368 WeakPolarHBondContact OE1-CE 3.33Å; E364-K368 IonicContact OE1-NZ 3.37Å; E364-K368 PolarHBondContact OE1-NZ 3.03Å; L365-K368 HydrophobicContact CD1-CD 4.42Å; L365-K368 WeakPolarHBondContact O-CB 3.41Å; L365-K368 PolarHBondContact O-N 3.46Å; L366-K368 PolarHBondContact O-N 3.39Å
369	V	98.6	Very high	97.3	Very high	27 Å²	27	55.2 Å²	55.2	16%	0.164	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.4	-175.7	-178.1	0	0	0	0	112	V309 L311 Q335 C339 L366 V371	V309-V369 HydrophobicContact CB-CG2 4.25Å; V309-V369 CarbonylContact O-C 3.6Å; V309-V369 VanDerWaalsContact O-CA 3.3Å; V309-V369 WeakPolarHBondContact O-CA 3.5Å; L311-V369 HydrophobicContact CD1-CG1 3.57Å; L311-V369 HydrophobicContact CG-CG1 3.76Å; Q335-V369 HydrophobicContact CB-CG1 4.15Å; Q335-V369 HydrophobicContact CG-CB 4.24Å; Q335-V369 HydrophobicContact CG-CG1 3.62Å; C339-V369 WeakPolarHBondContact SG-CG2 3.21Å; L366-V369 PolarHBondContact O-N 3.4Å; V369-V371 HydrophobicContact CG1-CG2 4.42Å
370	E	98.2	Very high	97.3	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.5	168.6	-170.6	-170.4	-177.2	0	0	109.8	V309 T310 L311 K372	V309-E370 PolarHBondContact O-N 3.23Å; T310-E370 CarbonylContact C-O 3.1Å; T310-E370 WeakPolarHBondContact CA-O 3.33Å; L311-E370 PolarHBondContact N-O 2.96Å; E370-K372 WeakPolarHBondContact OE1-CE 3.17Å; E370-K372 IonicContact OE1-NZ 3.11Å; E370-K372 PolarHBondContact OE1-NZ 3.43Å; E370-K372 WeakPolarHBondContact OE2-CE 3.41Å; E370-K372 IonicContact OE2-NZ 2.7Å; E370-K372 PolarHBondContact OE2-NZ 2.76Å; E370-K372 VanDerWaalsContact OE2-NZ 3.13Å
371	V	98.3	Very high	97.3	Very high	42 Å²	42	48.6 Å²	48.6	26%	0.255	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.3	176	177.7	0	0	0	0	109.9	L311 V313 Q335 V369	L311-V371 HydrophobicContact CB-CG2 4.47Å; L311-V371 HydrophobicContact CD1-CG2 4.29Å; L311-V371 WeakPolarHBondContact O-CA 3.06Å; V313-V371 HydrophobicContact CG2-CG1 3.59Å; Q335-V371 HydrophobicContact CG-CG2 4.04Å; V369-V371 HydrophobicContact CG1-CG2 4.42Å
372	K	98.1	Very high	97.3	Very high	81 Å²	81	48.7 Å²	48.7	35%	0.352	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.1	174.4	-63.6	-174.4	-177.2	170.5	0	110.1	T310 L311 R312 V313 E370 P374	T310-K372 HydrophobicContact CG2-CD 3.76Å; T310-K372 HydrophobicContact CG2-CG 4.05Å; L311-K372 PolarHBondContact O-N 3.41Å; R312-K372 WeakPolarHBondContact CA-O 3.4Å; R312-K372 HydrophobicContact CG-CB 4.29Å; V313-K372 PolarHBondContact N-O 3.46Å; E370-K372 WeakPolarHBondContact OE1-CE 3.17Å; E370-K372 IonicContact OE1-NZ 3.11Å; E370-K372 PolarHBondContact OE1-NZ 3.43Å; E370-K372 WeakPolarHBondContact OE2-CE 3.41Å; E370-K372 IonicContact OE2-NZ 2.7Å; E370-K372 PolarHBondContact OE2-NZ 2.76Å; E370-K372 VanDerWaalsContact OE2-NZ 3.13Å; K372-P374 WeakPolarHBondContact O-CD 3.48Å
373	T	97.7	Very high	97.3	Very high	83 Å²	83	55.6 Å²	55.6	51%	0.509	31%	0.306	S	S	.	.			trans	-121.4	88.9	-180	55.6	0	0	0	0	110.5	V313 P315	V313-T373 WeakPolarHBondContact O-CA 3.43Å; P315-T373 HydrophobicContact CB-CG2 4.29Å
374	P	97.5	Very high	97.3	Very high	29 Å²	29	53 Å²	53	19%	0.188	30%	0.295	C	S	.	.			trans	-57.6	143.1	177.6	-24	35.2	0	0	0	112	R312 K372 D376 N377 Y385	R312-P374 HydrophobicContact CB-CG 3.83Å; R312-P374 HydrophobicContact CG-CG 4.39Å; K372-P374 WeakPolarHBondContact O-CD 3.48Å; P374-D376 WeakPolarHBondContact CB-OD1 3.49Å; P374-D376 PolarHBondContact O-N 2.97Å; P374-N377 HydrophobicContact CB-CB 4.3Å; P374-N377 PolarHBondContact O-N 2.81Å; P374-N377 VanDerWaalsContact O-N 3.12Å; P374-Y385 WeakPolarHBondContact CB-OH 3.45Å
375	G	96.7	Very high	97.3	Very high	80 Å²	80	48.5 Å²	48.5	83%	0.825	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.6	-176.2	0	0	0	0	0	114.7
376	D	96.5	Very high	97.4	Very high	99 Å²	99	48.2 Å²	48.2	53%	0.529	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.9	175.4	64.8	-42.7	0	0	0	113.4	P374 H378 Y385	P374-D376 WeakPolarHBondContact CB-OD1 3.49Å; P374-D376 PolarHBondContact O-N 2.97Å; D376-H378 PolarHBondContact O-N 3.48Å; D376-Y385 PolarHBondContact OD1-OH 3.17Å; D376-Y385 PolarHBondContact OD2-OH 3.16Å
377	N	97	Very high	97.4	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	28%	0.279	C	S	.	.			trans	-93.5	87.7	-177.2	-161.7	-5.5	0	0	0	111.7	V313 P315 P374 M384 Y385	V313-N377 VanDerWaalsContact C-ND2 3.31Å; P315-N377 WeakPolarHBondContact CD-O 3.41Å; P374-N377 HydrophobicContact CB-CB 4.3Å; P374-N377 PolarHBondContact O-N 2.81Å; P374-N377 VanDerWaalsContact O-N 3.12Å; N377-M384 WeakPolarHBondContact OD1-CA 3.26Å; N377-Y385 HydrophobicContact CB-CD1 4.16Å; N377-Y385 HydrophobicContact CB-CE1 3.55Å; N377-Y385 PolarHBondContact ND2-O 2.9Å; N377-Y385 PolarHBondContact OD1-N 3.43Å; N377-Y385 VanDerWaalsContact OD1-N 3.15Å
378	H	93.9	Very high	97.4	Very high	102 Å²	102	45.9 Å²	45.9	47%	0.472	25%	0.252	S	S	.	.			trans	-71.8	142.2	179.7	-59.6	-67.9	0	0	0	112.2	D376 S380 M384	D376-H378 PolarHBondContact O-N 3.48Å; H378-S380 PolarHBondContact O-N 2.89Å; H378-M384 WeakPolarHBondContact O-CB 3.21Å
379	P	94.9	Very high	97.4	Very high	32 Å²	32	45.4 Å²	45.4	21%	0.208	25%	0.251	C	S	.	.	S	Bend	trans	-77.7	58.7	179.2	35.2	-37.6	0	0	0	111.5	N151 I152 P314 P315	N151-P379 CarbonylContact C-O 3.56Å; N151-P379 VanDerWaalsContact CA-O 3.26Å; N151-P379 WeakPolarHBondContact CA-O 3.33Å; N151-P379 WeakPolarHBondContact CB-O 3.46Å; I152-P379 HydrophobicContact CB-CB 4.29Å; I152-P379 HydrophobicContact CD1-CB 4.21Å; I152-P379 WeakPolarHBondContact CG1-O 3.46Å; I152-P379 PolarHBondContact N-O 3.43Å; P314-P379 HydrophobicContact CB-CB 4.09Å; P315-P379 HydrophobicContact CG-CG 4.36Å
380	S	96.7	Very high	97.4	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.028	24%	0.243	C	C	.	.			trans	-127.2	128.4	176.9	179.4	0	0	0	0	108.8	Y150 H378 D382 K383 M384	Y150-S380 WeakPolarHBondContact O-CB 3.41Å; Y150-S380 PolarHBondContact O-OG 3.28Å; H378-S380 PolarHBondContact O-N 2.89Å; S380-D382 PolarHBondContact O-N 3.14Å; S380-K383 PolarHBondContact O-N 2.97Å; S380-M384 VanDerWaalsContact O-CB 3.28Å; S380-M384 WeakPolarHBondContact O-CB 3.15Å; S380-M384 VanDerWaalsContact O-CG 3.29Å; S380-M384 WeakPolarHBondContact O-CG 3.16Å; S380-M384 PolarHBondContact O-N 3.46Å
381	F	97.4	Very high	97.4	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.044	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.2	178.2	-64.8	-42.4	0	0	0	112.9	T97 A101 I152 H277 L278 A279 W282 M384 H408 W409	T97-F381 HydrophobicContact CG2-CD2 4.04Å; T97-F381 HydrophobicContact CG2-CE2 3.81Å; A101-F381 HydrophobicContact CB-CD2 3.93Å; A101-F381 HydrophobicContact CB-CE2 3.81Å; I152-F381 HydrophobicContact CD1-CE1 4.01Å; I152-F381 HydrophobicContact CD1-CZ 4.47Å; I152-F381 HydrophobicContact CG1-CE1 3.99Å; I152-F381 HydrophobicContact CG1-CZ 4.04Å; H277-F381 AromaticContact CE1-CE1 3.67Å; H277-F381 AromaticContact CE1-CZ 3.6Å; H277-F381 AromaticContact NE2-CZ 3.88Å; L278-F381 HydrophobicContact CB-CD1 4.32Å; L278-F381 HydrophobicContact CB-CE1 3.87Å; L278-F381 HydrophobicContact CB-CZ 4.03Å; L278-F381 HydrophobicContact CD2-CB 4.25Å; L278-F381 HydrophobicContact CD2-CD1 3.89Å; L278-F381 HydrophobicContact CD2-CD2 4.08Å; L278-F381 HydrophobicContact CD2-CE1 4.24Å; L278-F381 HydrophobicContact CD2-CE2 4.4Å; L278-F381 HydrophobicContact CD2-CG 3.82Å; L278-F381 HydrophobicContact CD2-CZ 4.48Å; A279-F381 HydrophobicContact CB-CE1 4.5Å; W282-F381 HydrophobicContact CH2-CB 4.09Å; W282-F381 HydrophobicContact CH2-CD1 4.02Å; W282-F381 HydrophobicContact CH2-CG 4.47Å; W282-F381 WeakPolarHBondContact CH2-O 3.38Å; W282-F381 VanDerWaalsContact CZ2-O 3.29Å; W282-F381 WeakPolarHBondContact CZ2-O 3.22Å; W282-F381 AromaticContact CZ3-CD1 3.96Å; W282-F381 HydrophobicContact CZ3-CD1 3.96Å; F381-M384 HydrophobicContact CD1-SD 3.82Å; F381-M384 HydrophobicContact CE1-SD 4.33Å; F381-H408 PolarHBondContact O-NE2 3.23Å; F381-W409 HydrophobicContact CB-CH2 3.5Å; F381-W409 VanDerWaalsContact CB-CH2 3.5Å; F381-W409 HydrophobicContact CB-CZ2 4Å; F381-W409 HydrophobicContact CG-CH2 4.48Å
382	D	97.4	Very high	97.2	Very high	55 Å²	55	40.3 Å²	40.3	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-23.9	176.9	-167.9	57.2	0	0	0	113.4	S380 W409 R410	S380-D382 PolarHBondContact O-N 3.14Å; D382-W409 HydrophobicContact CB-CZ2 4.18Å; D382-W409 PolarHBondContact OD1-NE1 3.03Å; D382-R410 VanDerWaalsContact O-CZ 3.27Å; D382-R410 PolarHBondContact O-NH1 3.34Å; D382-R410 PolarHBondContact O-NH2 3.49Å; D382-R410 IonicContact OD1-NH1 2.61Å; D382-R410 PolarHBondContact OD1-NH1 3.39Å
383	K	96.8	Very high	96.8	Very high	146 Å²	146	39.7 Å²	39.7	64%	0.635	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-23.3	-171.4	-60.1	-176.7	-178.4	179.5	0	114.8	S380	S380-K383 PolarHBondContact O-N 2.97Å
384	M	97.5	Very high	96.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.234	C	C	.	.			trans	-65.9	157.9	-172	69.8	178.4	-79.2	0	0	112.5	I152 A279 W282 P314 N377 H378 S380 F381	I152-M384 HydrophobicContact CD1-SD 4.4Å; A279-M384 HydrophobicContact CB-CE 3.62Å; A279-M384 HydrophobicContact CB-SD 4.25Å; W282-M384 HydrophobicContact CD2-CE 4.45Å; W282-M384 HydrophobicContact CD2-CG 4.39Å; W282-M384 HydrophobicContact CE3-CE 4.15Å; W282-M384 HydrophobicContact CE3-SD 4.25Å; W282-M384 HydrophobicContact CH2-CG 4.19Å; W282-M384 HydrophobicContact CH2-SD 4.29Å; W282-M384 HydrophobicContact CZ2-CG 4.1Å; W282-M384 HydrophobicContact CZ3-CE 4.49Å; W282-M384 HydrophobicContact CZ3-CG 4.38Å; W282-M384 HydrophobicContact CZ3-SD 4.02Å; P314-M384 HydrophobicContact CG-CB 4.15Å; P314-M384 HydrophobicContact CG-CE 3.44Å; P314-M384 VanDerWaalsContact CG-CE 3.44Å; P314-M384 HydrophobicContact CG-SD 4.1Å; N377-M384 WeakPolarHBondContact OD1-CA 3.26Å; H378-M384 WeakPolarHBondContact O-CB 3.21Å; S380-M384 VanDerWaalsContact O-CB 3.28Å; S380-M384 WeakPolarHBondContact O-CB 3.15Å; S380-M384 VanDerWaalsContact O-CG 3.29Å; S380-M384 WeakPolarHBondContact O-CG 3.16Å; S380-M384 PolarHBondContact O-N 3.46Å; F381-M384 HydrophobicContact CD1-SD 3.82Å; F381-M384 HydrophobicContact CE1-SD 4.33Å
385	Y	98.4	Very high	95.7	Very high	11 Å²	11	43.1 Å²	43.1	4%	0.043	26%	0.259	C	S	.	.			trans	-135.7	166.6	168.9	66.8	-89.4	0	0	0	110.3	P374 D376 N377 E387 R401 C402 N403	P374-Y385 WeakPolarHBondContact CB-OH 3.45Å; D376-Y385 PolarHBondContact OD1-OH 3.17Å; D376-Y385 PolarHBondContact OD2-OH 3.16Å; N377-Y385 HydrophobicContact CB-CD1 4.16Å; N377-Y385 HydrophobicContact CB-CE1 3.55Å; N377-Y385 PolarHBondContact ND2-O 2.9Å; N377-Y385 PolarHBondContact OD1-N 3.43Å; N377-Y385 VanDerWaalsContact OD1-N 3.15Å; Y385-E387 HydrophobicContact CD2-CB 4.5Å; Y385-E387 HydrophobicContact CE2-CB 4.42Å; Y385-R401 HydrophobicContact CD2-CG 3.97Å; Y385-R401 VanDerWaalsContact CE1-NH2 3.33Å; Y385-C402 WeakPolarHBondContact CA-O 3.43Å; Y385-C402 WeakPolarHBondContact CB-O 3.29Å; Y385-N403 WeakPolarHBondContact CB-OD1 3.32Å
386	C	98.7	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139	164.7	-64.3	0	0	0	0	109.5	W282 L283 R312 V313 R401 C402	W282-C386 HydrophobicContact CB-CB 3.82Å; W282-C386 VanDerWaalsContact CB-SG 3.59Å; L283-C386 HydrophobicContact CB-CB 4.21Å; L283-C386 HydrophobicContact CD1-CB 3.85Å; R312-C386 WeakPolarHBondContact O-CA 3.46Å; V313-C386 HydrophobicContact CG1-CB 4.4Å; C386-R401 CarbonylContact O-C 3.21Å; C386-R401 WeakPolarHBondContact O-CA 3.47Å; C386-C402 PolarHBondContact N-O 2.99Å; C386-C402 PolarHBondContact O-N 3.16Å
387	E	98.8	Very high	95.2	Very high	36 Å²	36	40.5 Å²	40.5	17%	0.168	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.1	171.8	179.5	-173.9	101.1	0	0	109.2	R312 Y385 T399 A400 R401	R312-E387 HydrophobicContact CB-CB 4.17Å; R312-E387 VanDerWaalsContact CD-OE1 3.25Å; R312-E387 WeakPolarHBondContact CD-OE1 3.37Å; R312-E387 IonicContact CZ-OE1 2.84Å; R312-E387 PolarHBondContact N-O 2.6Å; R312-E387 IonicContact NE-OE1 3.95Å; R312-E387 IonicContact NH1-OE1 3.64Å; R312-E387 PolarHBondContact NH1-OE1 2.73Å; R312-E387 PolarHBondContact O-N 2.95Å; Y385-E387 HydrophobicContact CD2-CB 4.5Å; Y385-E387 HydrophobicContact CE2-CB 4.42Å; E387-T399 VanDerWaalsContact CD-CG2 3.48Å; E387-T399 HydrophobicContact CG-CG2 3.49Å; E387-T399 VanDerWaalsContact CG-CG2 3.49Å; E387-A400 CarbonylContact C-O 3.6Å; E387-A400 VanDerWaalsContact CA-O 3.3Å; E387-A400 WeakPolarHBondContact CA-O 3.26Å; E387-A400 WeakPolarHBondContact CG-O 3.21Å; E387-R401 HydrophobicContact CB-CB 4.01Å; E387-R401 HydrophobicContact CB-CG 4.2Å; E387-R401 HydrophobicContact CG-CB 4.03Å
388	V	98.8	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.7	179.5	179.6	0	0	0	0	107.9	L283 A286 A287 A290 V309 L311 I390 T399 A400	L283-V388 HydrophobicContact CD1-CG2 3.72Å; A286-V388 HydrophobicContact CB-CB 4.35Å; A286-V388 HydrophobicContact CB-CG2 3.8Å; A287-V388 HydrophobicContact CB-CG1 4.41Å; A287-V388 HydrophobicContact CB-CG2 4.17Å; A290-V388 HydrophobicContact CB-CB 4.34Å; A290-V388 HydrophobicContact CB-CG1 4.28Å; V309-V388 HydrophobicContact CG1-CG1 4.03Å; L311-V388 HydrophobicContact CD2-CB 4.49Å; L311-V388 HydrophobicContact CD2-CG1 4.11Å; L311-V388 HydrophobicContact CD2-CG2 3.88Å; V388-I390 HydrophobicContact CG1-CG1 4.26Å; V388-T399 WeakPolarHBondContact O-CA 3.36Å; V388-A400 PolarHBondContact N-O 3.25Å; V388-A400 PolarHBondContact O-N 2.94Å
389	Q	98.6	Very high	95.4	Very high	35 Å²	35	38.7 Å²	38.7	16%	0.164	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.1	171.5	177.1	174.7	9.4	0	0	108.7	V309 T310 E391 S397 C398 T399	V309-Q389 CarbonylContact C-O 3.53Å; V309-Q389 WeakPolarHBondContact CA-O 3.34Å; T310-Q389 PolarHBondContact N-O 3.11Å; T310-Q389 PolarHBondContact O-N 3.04Å; Q389-E391 HydrophobicContact CG-CG 4.43Å; Q389-S397 PolarHBondContact NE2-OG 3.19Å; Q389-C398 CarbonylContact C-O 3.54Å; Q389-C398 WeakPolarHBondContact CA-O 3.42Å; Q389-T399 HydrophobicContact CB-CG2 4.4Å; Q389-T399 WeakPolarHBondContact CG-OG1 3.48Å
390	I	98.1	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135	176	-52.3	170.2	0	0	0	107.1	A290 L291 L294 I306 L342 V388 S397 C398	A290-I390 HydrophobicContact CB-CD1 3.79Å; A290-I390 HydrophobicContact CB-CG1 4.14Å; L291-I390 HydrophobicContact CB-CD1 4.39Å; L294-I390 HydrophobicContact CD2-CB 4.19Å; L294-I390 HydrophobicContact CD2-CD1 4.46Å; L294-I390 HydrophobicContact CD2-CG2 3.66Å; I306-I390 HydrophobicContact CD1-CG2 4.07Å; I306-I390 HydrophobicContact CG1-CG2 3.88Å; I306-I390 HydrophobicContact CG2-CG2 4.11Å; L342-I390 HydrophobicContact CD2-CD1 3.57Å; L342-I390 HydrophobicContact CD2-CG1 4.44Å; V388-I390 HydrophobicContact CG1-CG1 4.26Å; I390-S397 WeakPolarHBondContact O-CA 3.39Å; I390-S397 PolarHBondContact O-OG 3.47Å; I390-S397 VanDerWaalsContact O-OG 3.07Å; I390-C398 PolarHBondContact N-O 2.7Å; I390-C398 PolarHBondContact O-N 3.43Å
391	E	96.9	Very high	95.7	Very high	37 Å²	37	42.5 Å²	42.5	17%	0.173	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.3	174.6	-66	171.2	-112.6	0	0	109.6	Q307 R308 Q389 E396 S397	Q307-E391 PolarHBondContact N-O 3.11Å; R308-E391 HydrophobicContact CB-CB 4.15Å; R308-E391 IonicContact CZ-OE1 3.9Å; R308-E391 IonicContact CZ-OE2 2.84Å; R308-E391 PolarHBondContact N-O 2.83Å; R308-E391 IonicContact NE-OE1 3.58Å; R308-E391 IonicContact NH1-OE1 2.97Å; R308-E391 PolarHBondContact NH1-OE1 2.88Å; R308-E391 IonicContact NH1-OE2 3.42Å; R308-E391 PolarHBondContact NH1-OE2 2.81Å; R308-E391 IonicContact NH2-OE2 3.75Å; R308-E391 PolarHBondContact NH2-OE2 2.86Å; R308-E391 VanDerWaalsContact NH2-OE2 3.11Å; R308-E391 PolarHBondContact O-N 3.3Å; Q389-E391 HydrophobicContact CG-CG 4.43Å; E391-E396 WeakPolarHBondContact CA-O 3.23Å; E391-S397 WeakPolarHBondContact CG-OG 3.24Å
392	T	94.3	Very high	95.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	159.8	178.6	74	0	0	0	0	111.7	L294 F301 Q305 Q394 G395 E396	L294-T392 HydrophobicContact CD1-CG2 4Å; L294-T392 HydrophobicContact CD2-CG2 3.96Å; L294-T392 HydrophobicContact CG-CG2 4.49Å; F301-T392 HydrophobicContact CD2-CG2 4.21Å; F301-T392 HydrophobicContact CE2-CG2 3.74Å; Q305-T392 CarbonylContact O-C 3.53Å; Q305-T392 VanDerWaalsContact O-CA 3.25Å; Q305-T392 WeakPolarHBondContact O-CA 3.37Å; T392-Q394 PolarHBondContact O-N 2.72Å; T392-Q394 PolarHBondContact OG1-N 2.88Å; T392-Q394 PolarHBondContact OG1-OE1 2.65Å; T392-G395 PolarHBondContact O-N 3.25Å; T392-E396 HydrophobicContact CG2-CB 4.19Å; T392-E396 PolarHBondContact N-O 3.12Å; T392-E396 WeakPolarHBondContact OG1-CB 3.45Å; T392-E396 PolarHBondContact OG1-N 3.21Å; T392-E396 VanDerWaalsContact OG1-N 3.16Å; T392-E396 PolarHBondContact OG1-OE2 3.26Å
393	A	89.3	Confident	95.8	Very high	69 Å²	69	44 Å²	44	57%	0.57	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22	175.9	0	0	0	0	0	113.1	Q305 G395	Q305-A393 PolarHBondContact O-N 2.87Å; A393-G395 PolarHBondContact O-N 3.22Å
394	Q	86.2	Confident	95.9	Very high	116 Å²	116	39 Å²	39	54%	0.542	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.2	176.2	-62.2	79.3	3.1	0	0	112.7	T392	T392-Q394 PolarHBondContact O-N 2.72Å; T392-Q394 PolarHBondContact OG1-N 2.88Å; T392-Q394 PolarHBondContact OG1-OE1 2.65Å
395	G	86.2	Confident	95.9	Very high	68 Å²	68	39 Å²	39	70%	0.701	23%	0.226	S	C	*	.	S	Bend	trans	86.8	5.3	178.6	0	0	0	0	0	114.5	T392 A393	T392-G395 PolarHBondContact O-N 3.25Å; A393-G395 PolarHBondContact O-N 3.22Å
396	E	90.6	Very high	95.9	Very high	69 Å²	69	41.2 Å²	41.2	32%	0.322	24%	0.235	S	C	.	.			trans	-72.9	141.7	173.4	-57.1	166.7	145.5	0	0	109.5	L294 A298 E391 T392	L294-E396 HydrophobicContact CD1-CB 4.25Å; A298-E396 WeakPolarHBondContact CB-OE1 3.5Å; A298-E396 WeakPolarHBondContact CB-OE2 3.49Å; E391-E396 WeakPolarHBondContact CA-O 3.23Å; T392-E396 HydrophobicContact CG2-CB 4.19Å; T392-E396 PolarHBondContact N-O 3.12Å; T392-E396 WeakPolarHBondContact OG1-CB 3.45Å; T392-E396 PolarHBondContact OG1-N 3.21Å; T392-E396 VanDerWaalsContact OG1-N 3.16Å; T392-E396 PolarHBondContact OG1-OE2 3.26Å
397	S	93.6	Very high	95.9	Very high	54 Å²	54	41.2 Å²	41.2	38%	0.378	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134	176	-170	0	0	0	0	111.7	Q389 I390 E391	Q389-S397 PolarHBondContact NE2-OG 3.19Å; I390-S397 WeakPolarHBondContact O-CA 3.39Å; I390-S397 PolarHBondContact O-OG 3.47Å; I390-S397 VanDerWaalsContact O-OG 3.07Å; E391-S397 WeakPolarHBondContact CG-OG 3.24Å
398	C	96.3	Very high	95.9	Very high	18 Å²	18	39.5 Å²	39.5	12%	0.122	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.3	176.5	-79.9	0	0	0	0	110.5	K293 L294 Q389 I390	K293-C398 HydrophobicContact CB-CB 4.24Å; L294-C398 VanDerWaalsContact CA-SG 3.59Å; L294-C398 HydrophobicContact CB-CB 4.02Å; L294-C398 HydrophobicContact CD1-CB 4.3Å; Q389-C398 CarbonylContact C-O 3.54Å; Q389-C398 WeakPolarHBondContact CA-O 3.42Å; I390-C398 PolarHBondContact N-O 2.7Å; I390-C398 PolarHBondContact O-N 3.43Å
399	T	98.1	Very high	95.9	Very high	50 Å²	50	40.7 Å²	40.7	31%	0.307	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.4	179.3	-57.6	0	0	0	0	110.5	K293 E387 V388 Q389	K293-T399 PolarHBondContact NZ-O 3.15Å; E387-T399 VanDerWaalsContact CD-CG2 3.48Å; E387-T399 HydrophobicContact CG-CG2 3.49Å; E387-T399 VanDerWaalsContact CG-CG2 3.49Å; V388-T399 WeakPolarHBondContact O-CA 3.36Å; Q389-T399 HydrophobicContact CB-CG2 4.4Å; Q389-T399 WeakPolarHBondContact CG-OG1 3.48Å
400	A	98.6	Very high	95.9	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.8	170	0	0	0	0	0	111.4	A289 A290 E387 V388	A289-A400 HydrophobicContact CB-CB 3.62Å; A290-A400 HydrophobicContact CB-CB 3.89Å; E387-A400 CarbonylContact C-O 3.6Å; E387-A400 VanDerWaalsContact CA-O 3.3Å; E387-A400 WeakPolarHBondContact CA-O 3.26Å; E387-A400 WeakPolarHBondContact CG-O 3.21Å; V388-A400 PolarHBondContact N-O 3.25Å; V388-A400 PolarHBondContact O-N 2.94Å
401	R	98.6	Very high	96	Very high	111 Å²	111	49.3 Å²	49.3	42%	0.419	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.2	-178	177.4	172.7	168.6	161	0.2	110	Y385 C386 E387 N403	Y385-R401 HydrophobicContact CD2-CG 3.97Å; Y385-R401 VanDerWaalsContact CE1-NH2 3.33Å; C386-R401 CarbonylContact O-C 3.21Å; C386-R401 WeakPolarHBondContact O-CA 3.47Å; E387-R401 HydrophobicContact CB-CB 4.01Å; E387-R401 HydrophobicContact CB-CG 4.2Å; E387-R401 HydrophobicContact CG-CB 4.03Å; R401-N403 PolarHBondContact NE-OD1 3.26Å; R401-N403 PolarHBondContact NH2-OD1 2.95Å
402	C	98.7	Very high	96	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.9	170.3	-178.8	0	0	0	0	109.3	W282 D285 A286 Y385 C386 T404	W282-C402 HydrophobicContact CB-CB 4.5Å; W282-C402 WeakPolarHBondContact O-CB 3.46Å; D285-C402 HydrophobicContact CB-CB 4.18Å; A286-C402 HydrophobicContact CB-CB 3.89Å; Y385-C402 WeakPolarHBondContact CA-O 3.43Å; Y385-C402 WeakPolarHBondContact CB-O 3.29Å; C386-C402 PolarHBondContact N-O 2.99Å; C386-C402 PolarHBondContact O-N 3.16Å; C402-T404 PolarHBondContact SG-O 3.32Å; C402-T404 VanDerWaalsContact SG-O 3.36Å
403	N	98.4	Very high	96.2	Very high	87 Å²	87	50.5 Å²	50.5	47%	0.465	28%	0.276	S	S	.	.	S	Bend	trans	-94.5	-21.8	172.8	-64.4	-55.2	0	0	0	112.2	W282 Y385 R401	W282-N403 PolarHBondContact NE1-O 2.93Å; W282-N403 VanDerWaalsContact NE1-O 3.09Å; Y385-N403 WeakPolarHBondContact CB-OD1 3.32Å; R401-N403 PolarHBondContact NE-OD1 3.26Å; R401-N403 PolarHBondContact NH2-OD1 2.95Å
404	T	98.6	Very high	96.7	Very high	41 Å²	41	49 Å²	49	25%	0.252	26%	0.261	S	S	.	.	S	Bend	trans	-159.1	134	178.7	-68	0	0	0	0	108.4	C402 H408 R410 K411	C402-T404 PolarHBondContact SG-O 3.32Å; C402-T404 VanDerWaalsContact SG-O 3.36Å; T404-H408 HydrophobicContact CG2-CB 3.87Å; T404-R410 HydrophobicContact CG2-CB 3.83Å; T404-R410 PolarHBondContact OG1-NE 3.49Å; T404-R410 PolarHBondContact OG1-NH2 2.81Å; T404-K411 HydrophobicContact CG2-CB 3.76Å
405	F	98.7	Very high	97.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.			trans	-103.3	160.1	179	64.8	-86.5	0	0	0	111.2	L278 H281 W282 D285 G407 H408	L278-F405 HydrophobicContact CD1-CE2 4.4Å; L278-F405 HydrophobicContact CD1-CZ 3.66Å; L278-F405 HydrophobicContact CD2-CZ 4.48Å; L278-F405 HydrophobicContact CG-CE1 4.33Å; L278-F405 HydrophobicContact CG-CZ 3.93Å; H281-F405 HydrophobicContact CB-CB 4.23Å; H281-F405 HydrophobicContact CB-CD1 3.72Å; H281-F405 HydrophobicContact CB-CD2 3.39Å; H281-F405 HydrophobicContact CB-CE1 3.88Å; H281-F405 HydrophobicContact CB-CE2 3.57Å; H281-F405 HydrophobicContact CB-CG 3.49Å; H281-F405 VanDerWaalsContact CB-CG 3.49Å; H281-F405 HydrophobicContact CB-CZ 3.81Å; H281-F405 AromaticContact CD2-CE2 3.79Å; H281-F405 AromaticContact CG-CE2 3.82Å; W282-F405 AromaticContact CD2-CD1 3.48Å; W282-F405 HydrophobicContact CD2-CD1 3.48Å; W282-F405 VanDerWaalsContact CD2-CD1 3.48Å; W282-F405 AromaticContact CD2-CE1 3.67Å; W282-F405 HydrophobicContact CD2-CE1 3.67Å; W282-F405 AromaticContact CE2-CD1 3.66Å; W282-F405 AromaticContact CE2-CE1 3.76Å; W282-F405 AromaticContact CE3-CD1 3.7Å; W282-F405 HydrophobicContact CE3-CD1 3.7Å; W282-F405 AromaticContact CE3-CE1 3.45Å; W282-F405 HydrophobicContact CE3-CE1 3.45Å; W282-F405 VanDerWaalsContact CE3-CE1 3.45Å; W282-F405 AromaticContact CG-CD1 3.93Å; W282-F405 HydrophobicContact CG-CD1 3.93Å; W282-F405 HydrophobicContact CH2-CD1 4.28Å; W282-F405 AromaticContact CH2-CE1 3.52Å; W282-F405 HydrophobicContact CH2-CE1 3.52Å; W282-F405 HydrophobicContact CH2-CZ 4.47Å; W282-F405 HydrophobicContact CZ2-CD1 4.06Å; W282-F405 AromaticContact CZ2-CE1 3.68Å; W282-F405 HydrophobicContact CZ2-CE1 3.68Å; W282-F405 HydrophobicContact CZ3-CD1 4.12Å; W282-F405 AromaticContact CZ3-CE1 3.4Å; W282-F405 HydrophobicContact CZ3-CE1 3.4Å; W282-F405 VanDerWaalsContact CZ3-CE1 3.4Å; W282-F405 HydrophobicContact CZ3-CZ 4.32Å; D285-F405 VanDerWaalsContact OD2-CA 3.32Å; D285-F405 WeakPolarHBondContact OD2-CA 3.41Å; D285-F405 WeakPolarHBondContact OD2-CB 3.35Å; F405-G407 PolarHBondContact O-N 3.22Å; F405-H408 HydrophobicContact CD1-CB 4.04Å; F405-H408 HydrophobicContact CD2-CB 4.33Å; F405-H408 HydrophobicContact CE1-CB 3.75Å; F405-H408 AromaticContact CE1-CD2 3.71Å; F405-H408 HydrophobicContact CE2-CB 4.07Å; F405-H408 HydrophobicContact CG-CB 4.31Å; F405-H408 HydrophobicContact CZ-CB 3.76Å; F405-H408 VanDerWaalsContact O-CB 3.23Å; F405-H408 WeakPolarHBondContact O-CB 3.16Å; F405-H408 PolarHBondContact O-N 2.96Å
406	Y	98.7	Very high	97.9	Very high	57 Å²	57	50.6 Å²	50.6	22%	0.224	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	123	174.3	-176.5	-131.3	0	0	0	111.4	R273 K411 P412 L413 S414 D417	R273-Y406 WeakPolarHBondContact CD-O 3.28Å; R273-Y406 PolarHBondContact NE-O 3.37Å; Y406-K411 HydrophobicContact CD2-CD 4.43Å; Y406-K411 HydrophobicContact CD2-CG 4.19Å; Y406-P412 WeakPolarHBondContact CE2-O 3.47Å; Y406-L413 HydrophobicContact CD1-CD2 3.63Å; Y406-L413 HydrophobicContact CD2-CD2 4.26Å; Y406-L413 HydrophobicContact CE1-CD2 3.42Å; Y406-L413 VanDerWaalsContact CE1-CD2 3.42Å; Y406-L413 HydrophobicContact CE2-CD2 4.09Å; Y406-L413 HydrophobicContact CG-CD2 4.05Å; Y406-S414 PolarHBondContact OH-N 3.34Å; Y406-S414 PolarHBondContact OH-OG 3.36Å; Y406-D417 HydrophobicContact CE1-CB 4.44Å; Y406-D417 WeakPolarHBondContact CE1-OD2 3.33Å; Y406-D417 PolarHBondContact OH-OD2 3.41Å
407	G	98.7	Very high	98.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.6	-14	-170.6	0	0	0	0	0	114.2	A270 F271 F405 K411	A270-G407 CarbonylContact C-O 2.94Å; A270-G407 WeakPolarHBondContact CA-O 3.5Å; F271-G407 PolarHBondContact N-O 3.02Å; F271-G407 WeakPolarHBondContact O-CA 3.21Å; F405-G407 PolarHBondContact O-N 3.22Å; G407-K411 PolarHBondContact N-O 3.03Å
408	H	98.9	Very high	98.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-68	153.5	169.7	-172.3	-94.5	0	0	0	111.2	W282 F381 T404 F405 R410 K411 P412	W282-H408 AromaticContact CH2-CD2 3.62Å; W282-H408 AromaticContact CH2-NE2 3.91Å; W282-H408 AromaticContact CZ2-CD2 3.45Å; W282-H408 VanDerWaalsContact CZ2-CD2 3.45Å; W282-H408 WeakPolarHBondContact CZ2-CD2 3.17Å; W282-H408 AromaticContact CZ2-NE2 3.65Å; F381-H408 PolarHBondContact O-NE2 3.23Å; T404-H408 HydrophobicContact CG2-CB 3.87Å; F405-H408 HydrophobicContact CD1-CB 4.04Å; F405-H408 HydrophobicContact CD2-CB 4.33Å; F405-H408 HydrophobicContact CE1-CB 3.75Å; F405-H408 AromaticContact CE1-CD2 3.71Å; F405-H408 HydrophobicContact CE2-CB 4.07Å; F405-H408 HydrophobicContact CG-CB 4.31Å; F405-H408 HydrophobicContact CZ-CB 3.76Å; F405-H408 VanDerWaalsContact O-CB 3.23Å; F405-H408 WeakPolarHBondContact O-CB 3.16Å; F405-H408 PolarHBondContact O-N 2.96Å; H408-R410 PolarHBondContact CE1-NH1 3.09Å; H408-R410 VanDerWaalsContact CE1-NH1 3.26Å; H408-R410 PolarHBondContact CE1-NH2 3.41Å; H408-R410 VanDerWaalsContact CE1-NH2 3.27Å; H408-R410 PolarHBondContact ND1-N 3.47Å; H408-R410 VanDerWaalsContact ND1-N 3.13Å; H408-R410 PolarHBondContact O-N 3.44Å; H408-K411 CarbonylContact O-C 3.59Å; H408-K411 WeakPolarHBondContact O-CA 3.35Å; H408-K411 PolarHBondContact O-N 3.14Å; H408-P412 VanDerWaalsContact O-CA 3.28Å; H408-P412 WeakPolarHBondContact O-CA 3.3Å
409	W	98.7	Very high	98.6	Very high	26 Å²	26	48.8 Å²	48.8	10%	0.098	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.3	179.2	49.2	85	0	0	0	114.7	H99 Q267 D268 A270 F381 D382	H99-W409 HydrophobicContact CB-CH2 3.7Å; H99-W409 HydrophobicContact CB-CZ2 3.74Å; H99-W409 HydrophobicContact CB-CZ3 4.26Å; Q267-W409 VanDerWaalsContact NE2-CG 3.33Å; D268-W409 HydrophobicContact CB-CB 3.97Å; A270-W409 HydrophobicContact CB-CE3 3.68Å; A270-W409 HydrophobicContact CB-CZ3 3.94Å; F381-W409 HydrophobicContact CB-CH2 3.5Å; F381-W409 VanDerWaalsContact CB-CH2 3.5Å; F381-W409 HydrophobicContact CB-CZ2 4Å; F381-W409 HydrophobicContact CG-CH2 4.48Å; D382-W409 HydrophobicContact CB-CZ2 4.18Å; D382-W409 PolarHBondContact OD1-NE1 3.03Å
410	R	98.6	Very high	98.6	Very high	102 Å²	102	51.4 Å²	51.4	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17.5	172.9	-69.6	-173.8	-69.7	-90.2	5.4	114.7	D382 T404 H408	D382-R410 VanDerWaalsContact O-CZ 3.27Å; D382-R410 PolarHBondContact O-NH1 3.34Å; D382-R410 PolarHBondContact O-NH2 3.49Å; D382-R410 IonicContact OD1-NH1 2.61Å; D382-R410 PolarHBondContact OD1-NH1 3.39Å; T404-R410 HydrophobicContact CG2-CB 3.83Å; T404-R410 PolarHBondContact OG1-NE 3.49Å; T404-R410 PolarHBondContact OG1-NH2 2.81Å; H408-R410 PolarHBondContact CE1-NH1 3.09Å; H408-R410 VanDerWaalsContact CE1-NH1 3.26Å; H408-R410 PolarHBondContact CE1-NH2 3.41Å; H408-R410 VanDerWaalsContact CE1-NH2 3.27Å; H408-R410 PolarHBondContact ND1-N 3.47Å; H408-R410 VanDerWaalsContact ND1-N 3.13Å; H408-R410 PolarHBondContact O-N 3.44Å
411	K	98.6	Very high	98.7	Very high	114 Å²	114	52.3 Å²	52.3	50%	0.496	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-145.6	64.9	178	-167.8	-172.8	175.8	178.6	0	107.9	T404 Y406 G407 H408	T404-K411 HydrophobicContact CG2-CB 3.76Å; Y406-K411 HydrophobicContact CD2-CD 4.43Å; Y406-K411 HydrophobicContact CD2-CG 4.19Å; G407-K411 PolarHBondContact N-O 3.03Å; H408-K411 CarbonylContact O-C 3.59Å; H408-K411 WeakPolarHBondContact O-CA 3.35Å; H408-K411 PolarHBondContact O-N 3.14Å
412	P	98.6	Very high	98.7	Very high	55 Å²	55	47 Å²	47	36%	0.357	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-64.8	156.7	-168.7	27.7	-35.6	0	0	0	111.1	Y406 H408	Y406-P412 WeakPolarHBondContact CE2-O 3.47Å; H408-P412 VanDerWaalsContact O-CA 3.28Å; H408-P412 WeakPolarHBondContact O-CA 3.3Å
413	L	98.6	Very high	98.7	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.042	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.5	143	168.9	-63.4	-175.6	0	0	0	109.6	R32 F271 R273 Y406 L418	R32-L413 PolarHBondContact NH1-O 3.46Å; R32-L413 PolarHBondContact NH2-O 3.17Å; F271-L413 HydrophobicContact CB-CD1 3.74Å; F271-L413 HydrophobicContact CB-CG 4.15Å; R273-L413 HydrophobicContact CG-CD2 4Å; Y406-L413 HydrophobicContact CD1-CD2 3.63Å; Y406-L413 HydrophobicContact CD2-CD2 4.26Å; Y406-L413 HydrophobicContact CE1-CD2 3.42Å; Y406-L413 VanDerWaalsContact CE1-CD2 3.42Å; Y406-L413 HydrophobicContact CE2-CD2 4.09Å; Y406-L413 HydrophobicContact CG-CD2 4.05Å; L413-L418 HydrophobicContact CD1-CD1 4.2Å
414	S	98.7	Very high	98.6	Very high	38 Å²	38	49.3 Å²	49.3	27%	0.266	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-59.6	168.4	166	69.1	0	0	0	0	110.5	R32 Y406 E416 D417 L418	R32-S414 PolarHBondContact NH1-O 3.07Å; Y406-S414 PolarHBondContact OH-N 3.34Å; Y406-S414 PolarHBondContact OH-OG 3.36Å; S414-E416 VanDerWaalsContact C-N 3.29Å; S414-E416 WeakPolarHBondContact CB-OE2 3.17Å; S414-E416 PolarHBondContact OG-OE2 3.49Å; S414-D417 WeakPolarHBondContact OG-CB 3.26Å; S414-D417 PolarHBondContact OG-N 2.53Å; S414-D417 PolarHBondContact OG-OD2 2.79Å; S414-L418 WeakPolarHBondContact O-CB 3.45Å; S414-L418 PolarHBondContact O-N 2.88Å
415	Q	98.4	Very high	98.6	Very high	84 Å²	84	47.7 Å²	47.7	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-68.5	-38.1	175	-175.3	57.3	28.6	0	0	110.3	L418 V419	Q415-L418 PolarHBondContact O-N 2.86Å; Q415-V419 VanDerWaalsContact O-CG2 3.3Å; Q415-V419 WeakPolarHBondContact O-CG2 3.18Å; Q415-V419 PolarHBondContact O-N 2.91Å
416	E	98.6	Very high	98.6	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	23%	0.234	S	C	*	.	H	α-helix	trans	-61.4	-48.5	179.1	-61.2	70.9	-153.6	0	0	111	S414 L418 V419 E420	S414-E416 VanDerWaalsContact C-N 3.29Å; S414-E416 WeakPolarHBondContact CB-OE2 3.17Å; S414-E416 PolarHBondContact OG-OE2 3.49Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.96Å; E416-V419 PolarHBondContact O-N 3.28Å; E416-E420 WeakPolarHBondContact O-CB 3.45Å; E416-E420 PolarHBondContact O-N 3.21Å
417	D	98.8	Very high	98.5	Very high	73 Å²	73	47.6 Å²	47.6	39%	0.39	24%	0.242	S	C	.	.	H	α-helix	trans	-71.1	-29.1	-178.6	-71.9	-17.7	0	0	0	112.5	Y406 S414 K421	Y406-D417 HydrophobicContact CE1-CB 4.44Å; Y406-D417 WeakPolarHBondContact CE1-OD2 3.33Å; Y406-D417 PolarHBondContact OH-OD2 3.41Å; S414-D417 WeakPolarHBondContact OG-CB 3.26Å; S414-D417 PolarHBondContact OG-N 2.53Å; S414-D417 PolarHBondContact OG-OD2 2.79Å; D417-K421 WeakPolarHBondContact O-CB 3.2Å; D417-K421 PolarHBondContact O-N 3.43Å
418	L	98.8	Very high	98.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-41.4	173.3	-173.9	68.7	0	0	0	111.3	R32 D36 F271 L413 S414 Q415 E416 K421 F422	R32-L418 HydrophobicContact CB-CD2 3.49Å; R32-L418 VanDerWaalsContact CB-CD2 3.49Å; R32-L418 HydrophobicContact CG-CD2 3.69Å; D36-L418 HydrophobicContact CB-CD1 4.09Å; F271-L418 HydrophobicContact CB-CD1 4.35Å; F271-L418 HydrophobicContact CD1-CD1 4.12Å; F271-L418 HydrophobicContact CD2-CD1 4.11Å; F271-L418 HydrophobicContact CE1-CD1 4.48Å; F271-L418 HydrophobicContact CE2-CD1 4.48Å; F271-L418 HydrophobicContact CE2-CD2 4.29Å; F271-L418 HydrophobicContact CG-CD1 3.92Å; F271-L418 HydrophobicContact CZ-CD2 4.46Å; L413-L418 HydrophobicContact CD1-CD1 4.2Å; S414-L418 WeakPolarHBondContact O-CB 3.45Å; S414-L418 PolarHBondContact O-N 2.88Å; Q415-L418 PolarHBondContact O-N 2.86Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.96Å; L418-K421 PolarHBondContact O-N 3.4Å; L418-F422 PolarHBondContact O-N 3.34Å
419	V	98.8	Very high	98.1	Very high	30 Å²	30	49.7 Å²	49.7	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-43.2	174.6	170.6	0	0	0	0	110.3	L35 Q415 E416 K421 F422 I423 I439	L35-V419 HydrophobicContact CD2-CG2 3.9Å; Q415-V419 VanDerWaalsContact O-CG2 3.3Å; Q415-V419 WeakPolarHBondContact O-CG2 3.18Å; Q415-V419 PolarHBondContact O-N 2.91Å; E416-V419 PolarHBondContact O-N 3.28Å; V419-K421 PolarHBondContact O-N 2.86Å; V419-F422 CarbonylContact O-C 3.45Å; V419-F422 WeakPolarHBondContact O-CA 3.34Å; V419-F422 WeakPolarHBondContact O-CB 3.33Å; V419-F422 PolarHBondContact O-N 3.06Å; V419-F422 VanDerWaalsContact O-N 3.08Å; V419-I423 HydrophobicContact CG1-CD1 3.86Å; V419-I423 HydrophobicContact CG1-CG1 4.36Å; V419-I423 WeakPolarHBondContact O-CG1 3.44Å; V419-I423 PolarHBondContact O-N 3.03Å; V419-I439 HydrophobicContact CG1-CD1 3.93Å; V419-I439 HydrophobicContact CG1-CG1 4.43Å; V419-I439 HydrophobicContact CG1-CG2 4.47Å
420	E	98.7	Very high	98	Very high	105 Å²	105	48.6 Å²	48.6	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-44.9	175.5	-176.4	58	-152.1	0	0	111.4	E416 F422 I423 V424	E416-E420 WeakPolarHBondContact O-CB 3.45Å; E416-E420 PolarHBondContact O-N 3.21Å; E420-F422 VanDerWaalsContact C-N 3.28Å; E420-F422 PolarHBondContact O-N 2.72Å; E420-I423 PolarHBondContact O-N 3.39Å; E420-V424 WeakPolarHBondContact O-CG2 3.37Å; E420-V424 PolarHBondContact O-N 2.92Å
421	K	98.6	Very high	97.9	Very high	23 Å²	23	45.5 Å²	45.5	10%	0.1	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-45.1	171.9	177	-173.3	171.1	-173.4	0	111.1	D36 K272 D417 L418 V419 N425	D36-K421 WeakPolarHBondContact OD1-CD 3.16Å; D36-K421 WeakPolarHBondContact OD1-CE 3.45Å; D36-K421 IonicContact OD1-NZ 3.65Å; D36-K421 PolarHBondContact OD1-NZ 2.98Å; D36-K421 IonicContact OD2-NZ 3.15Å; D36-K421 PolarHBondContact OD2-NZ 3.16Å; K272-K421 WeakPolarHBondContact O-CE 3.39Å; K272-K421 PolarHBondContact O-NZ 3.21Å; D417-K421 WeakPolarHBondContact O-CB 3.2Å; D417-K421 PolarHBondContact O-N 3.43Å; L418-K421 PolarHBondContact O-N 3.4Å; V419-K421 PolarHBondContact O-N 2.86Å; K421-N425 WeakPolarHBondContact O-CB 3.45Å; K421-N425 PolarHBondContact O-N 3.28Å; K421-N425 VanDerWaalsContact O-N 3.11Å; K421-N425 PolarHBondContact O-ND2 3.32Å
422	F	98.8	Very high	97.9	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-48.8	177.2	170.6	-94.5	0	0	0	111.6	L35 L38 L42 L418 V419 E420 V424 N425 A426 V435 V438 I439	L35-F422 HydrophobicContact CD1-CB 4.26Å; L35-F422 HydrophobicContact CD1-CD1 3.93Å; L35-F422 HydrophobicContact CD1-CD2 3.66Å; L35-F422 HydrophobicContact CD1-CE1 4.22Å; L35-F422 HydrophobicContact CD1-CE2 3.98Å; L35-F422 HydrophobicContact CD1-CG 3.64Å; L35-F422 HydrophobicContact CD1-CZ 4.27Å; L35-F422 HydrophobicContact CD2-CB 4.27Å; L35-F422 HydrophobicContact CG-CB 3.95Å; L35-F422 HydrophobicContact CG-CD2 3.98Å; L35-F422 HydrophobicContact CG-CG 3.88Å; L35-F422 WeakPolarHBondContact O-CD2 3.32Å; L38-F422 HydrophobicContact CB-CE2 4.2Å; L42-F422 HydrophobicContact CD1-CE2 4.34Å; L418-F422 PolarHBondContact O-N 3.34Å; V419-F422 CarbonylContact O-C 3.45Å; V419-F422 WeakPolarHBondContact O-CA 3.34Å; V419-F422 WeakPolarHBondContact O-CB 3.33Å; V419-F422 PolarHBondContact O-N 3.06Å; V419-F422 VanDerWaalsContact O-N 3.08Å; E420-F422 VanDerWaalsContact C-N 3.28Å; E420-F422 PolarHBondContact O-N 2.72Å; F422-V424 PolarHBondContact O-N 3.1Å; F422-N425 PolarHBondContact O-N 3.24Å; F422-A426 HydrophobicContact CD1-CB 4.47Å; F422-A426 HydrophobicContact CD2-CB 4.42Å; F422-A426 HydrophobicContact CE1-CB 4.01Å; F422-A426 HydrophobicContact CE2-CB 3.95Å; F422-A426 HydrophobicContact CZ-CB 3.7Å; F422-A426 WeakPolarHBondContact O-CB 3.24Å; F422-A426 PolarHBondContact O-N 3.38Å; F422-V435 HydrophobicContact CD1-CG1 4.33Å; F422-V435 HydrophobicContact CE1-CG1 3.82Å; F422-V438 HydrophobicContact CE1-CB 4.22Å; F422-V438 HydrophobicContact CE1-CG1 4.17Å; F422-V438 HydrophobicContact CE2-CB 4.49Å; F422-V438 HydrophobicContact CE2-CG1 3.74Å; F422-V438 HydrophobicContact CZ-CB 3.64Å; F422-V438 HydrophobicContact CZ-CG1 3.35Å; F422-V438 HydrophobicContact CZ-CG2 4.38Å; F422-I439 HydrophobicContact CD1-CD1 3.87Å; F422-I439 HydrophobicContact CD1-CG1 3.56Å; F422-I439 HydrophobicContact CE1-CD1 4.03Å; F422-I439 HydrophobicContact CE1-CG1 3.58Å
423	I	98.7	Very high	97.8	Very high	54 Å²	54	47.9 Å²	47.9	28%	0.277	26%	0.26	S	S	.	.	H	α-helix	trans	-56.8	-51	179.4	-69.2	166.9	0	0	0	110.2	V419 E420 N425 A426 S427 V435 I439	V419-I423 HydrophobicContact CG1-CD1 3.86Å; V419-I423 HydrophobicContact CG1-CG1 4.36Å; V419-I423 WeakPolarHBondContact O-CG1 3.44Å; V419-I423 PolarHBondContact O-N 3.03Å; E420-I423 PolarHBondContact O-N 3.39Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 2.66Å; I423-A426 PolarHBondContact O-N 2.99Å; I423-S427 WeakPolarHBondContact O-CB 3.36Å; I423-S427 PolarHBondContact O-N 3.27Å; I423-S427 PolarHBondContact O-OG 3.34Å; I423-V435 HydrophobicContact CB-CG1 4.4Å; I423-V435 HydrophobicContact CG1-CG1 3.9Å; I423-I439 HydrophobicContact CD1-CD1 4.12Å; I423-I439 HydrophobicContact CG1-CD1 3.79Å
424	V	97.7	Very high	97.8	Very high	91 Å²	91	47.5 Å²	47.5	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-57.7	-43.8	179.6	170.2	0	0	0	0	111.3	E420 F422	E420-V424 WeakPolarHBondContact O-CG2 3.37Å; E420-V424 PolarHBondContact O-N 2.92Å; F422-V424 PolarHBondContact O-N 3.1Å
425	N	98	Very high	97.8	Very high	8 Å²	8	46 Å²	46	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-71.2	-47.9	-179.1	-69.8	-19.3	0	0	0	112.1	G39 L43 K421 F422 I423 S428	G39-N425 WeakPolarHBondContact O-CB 3.33Å; L43-N425 HydrophobicContact CB-CB 4.09Å; L43-N425 HydrophobicContact CD2-CB 4.47Å; L43-N425 WeakPolarHBondContact CD2-OD1 3.48Å; K421-N425 WeakPolarHBondContact O-CB 3.45Å; K421-N425 PolarHBondContact O-N 3.28Å; K421-N425 VanDerWaalsContact O-N 3.11Å; K421-N425 PolarHBondContact O-ND2 3.32Å; F422-N425 PolarHBondContact O-N 3.24Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 2.66Å; N425-S428 PolarHBondContact O-OG 3.42Å
426	A	97.9	Very high	97.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-73.3	-35	-173.3	0	0	0	0	0	113	L42 F422 I423 S428 V429 L430 V435	L42-A426 HydrophobicContact CD1-CB 3.69Å; F422-A426 HydrophobicContact CD1-CB 4.47Å; F422-A426 HydrophobicContact CD2-CB 4.42Å; F422-A426 HydrophobicContact CE1-CB 4.01Å; F422-A426 HydrophobicContact CE2-CB 3.95Å; F422-A426 HydrophobicContact CZ-CB 3.7Å; F422-A426 WeakPolarHBondContact O-CB 3.24Å; F422-A426 PolarHBondContact O-N 3.38Å; I423-A426 PolarHBondContact O-N 2.99Å; A426-S428 PolarHBondContact O-N 3.03Å; A426-S428 VanDerWaalsContact O-N 3.09Å; A426-V429 PolarHBondContact O-N 3.11Å; A426-L430 PolarHBondContact O-N 3.42Å; A426-V435 HydrophobicContact CB-CG2 4.01Å
427	S	97.1	Very high	97.7	Very high	54 Å²	54	41.7 Å²	41.7	38%	0.378	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.4	-179	-57.6	0	0	0	0	113.5	I423 V429	I423-S427 WeakPolarHBondContact O-CB 3.36Å; I423-S427 PolarHBondContact O-N 3.27Å; I423-S427 PolarHBondContact O-OG 3.34Å; S427-V429 PolarHBondContact O-N 2.93Å
428	S	93	Very high	97.7	Very high	28 Å²	28	38.2 Å²	38.2	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.2	171	73.9	0	0	0	0	113.7	R46 N425 A426	R46-S428 PolarHBondContact NH1-O 3.2Å; N425-S428 PolarHBondContact O-OG 3.42Å; A426-S428 PolarHBondContact O-N 3.03Å; A426-S428 VanDerWaalsContact O-N 3.09Å
429	V	96.4	Very high	97.7	Very high	16 Å²	16	40.3 Å²	40.3	10%	0.097	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-44.3	-172.8	178.2	0	0	0	0	112.8	L42 R46 G70 A426 S427 T461 S462	L42-V429 HydrophobicContact CD2-CG1 4.19Å; L42-V429 WeakPolarHBondContact O-CG2 3.33Å; R46-V429 HydrophobicContact CG-CG2 4.16Å; G70-V429 VanDerWaalsContact CA-CG1 3.48Å; A426-V429 PolarHBondContact O-N 3.11Å; S427-V429 PolarHBondContact O-N 2.93Å; V429-T461 WeakPolarHBondContact O-CA 3.33Å; V429-S462 PolarHBondContact O-N 3.42Å; V429-S462 PolarHBondContact O-OG 2.95Å
430	L	97.3	Very high	97.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-93	154.3	-177.6	-58.9	-174.7	0	0	0	111.8	L42 A426 V435 V438 M460 S462	L42-L430 HydrophobicContact CD1-CD1 3.53Å; L42-L430 HydrophobicContact CD1-CG 4.02Å; L42-L430 HydrophobicContact CD2-CD1 4.18Å; L42-L430 HydrophobicContact CD2-CD2 4Å; L42-L430 HydrophobicContact CD2-CG 4.02Å; A426-L430 PolarHBondContact O-N 3.42Å; L430-V435 HydrophobicContact CB-CG2 3.9Å; L430-V438 HydrophobicContact CD1-CG2 4.39Å; L430-M460 CarbonylContact C-O 3.38Å; L430-M460 VanDerWaalsContact CA-O 3.25Å; L430-M460 WeakPolarHBondContact CA-O 3.34Å; L430-M460 WeakPolarHBondContact CD2-O 3.41Å; L430-S462 PolarHBondContact O-OG 3.36Å
431	C	96.8	Very high	97.7	Very high	38 Å²	38	38.7 Å²	38.7	26%	0.257	22%	0.215	S	C	.	.			trans	-74.6	166.3	164.4	67.8	0	0	0	0	110.5	E433 G434 V435 M460	C431-E433 VanDerWaalsContact C-N 3.3Å; C431-E433 PolarHBondContact O-N 2.88Å; C431-G434 WeakPolarHBondContact O-CA 3.45Å; C431-G434 PolarHBondContact O-N 3.47Å; C431-V435 PolarHBondContact O-N 3.14Å; C431-M460 PolarHBondContact N-O 3.4Å; C431-M460 PolarHBondContact SG-O 3.38Å
432	T	97.2	Very high	97.7	Very high	99 Å²	99	37.7 Å²	37.7	61%	0.607	21%	0.211	S	C	*	.	H	α-helix	trans	-52.6	-45.9	-179.5	-53.4	0	0	0	0	112.6	G434 V435 E436	T432-G434 VanDerWaalsContact C-N 3.31Å; T432-G434 PolarHBondContact O-N 3.43Å; T432-V435 PolarHBondContact O-N 2.72Å; T432-V435 VanDerWaalsContact O-N 3.13Å; T432-E436 HydrophobicContact CG2-CG 4.34Å; T432-E436 WeakPolarHBondContact CG2-OE1 3.44Å; T432-E436 WeakPolarHBondContact O-CG 3.28Å; T432-E436 PolarHBondContact O-N 2.87Å
433	E	97.2	Very high	97.6	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	23%	0.227	S	C	*	.	H	α-helix	trans	-60.4	-39.2	177.4	-173.8	-179.6	-178.9	0	0	112.3	C431 G437 M460	C431-E433 VanDerWaalsContact C-N 3.3Å; C431-E433 PolarHBondContact O-N 2.88Å; E433-G437 PolarHBondContact O-N 3.37Å; E433-M460 HydrophobicContact CB-CE 4.07Å; E433-M460 HydrophobicContact CG-CE 3.71Å; E433-M460 HydrophobicContact CG-SD 4.29Å; E433-M460 WeakPolarHBondContact OE2-CE 3.32Å
434	G	97.8	Very high	97.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-41.3	174.4	0	0	0	0	0	112.8	C431 T432 V438	C431-G434 WeakPolarHBondContact O-CA 3.45Å; C431-G434 PolarHBondContact O-N 3.47Å; T432-G434 VanDerWaalsContact C-N 3.31Å; T432-G434 PolarHBondContact O-N 3.43Å; G434-V438 VanDerWaalsContact O-CG2 3.31Å; G434-V438 WeakPolarHBondContact O-CG2 3.43Å; G434-V438 PolarHBondContact O-N 3.33Å; G434-V438 VanDerWaalsContact O-N 3.13Å
435	V	98.5	Very high	97.6	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-51.9	177.6	175.2	0	0	0	0	110.6	F422 I423 A426 L430 C431 T432 G437 V438 I439	F422-V435 HydrophobicContact CD1-CG1 4.33Å; F422-V435 HydrophobicContact CE1-CG1 3.82Å; I423-V435 HydrophobicContact CB-CG1 4.4Å; I423-V435 HydrophobicContact CG1-CG1 3.9Å; A426-V435 HydrophobicContact CB-CG2 4.01Å; L430-V435 HydrophobicContact CB-CG2 3.9Å; C431-V435 PolarHBondContact O-N 3.14Å; T432-V435 PolarHBondContact O-N 2.72Å; T432-V435 VanDerWaalsContact O-N 3.13Å; V435-G437 PolarHBondContact O-N 3.09Å; V435-V438 PolarHBondContact O-N 2.91Å; V435-I439 HydrophobicContact CG1-CD1 4.04Å; V435-I439 WeakPolarHBondContact O-CG1 3.49Å; V435-I439 PolarHBondContact O-N 3.34Å; V435-I439 VanDerWaalsContact O-N 3.13Å
436	E	98.3	Very high	97.6	Very high	123 Å²	123	37.6 Å²	37.6	58%	0.575	21%	0.214	S	C	*	.	H	α-helix	trans	-62.3	-43	-179.8	-70.2	176	173.9	0	0	111.7	T432 V438 I439 D440	T432-E436 HydrophobicContact CG2-CG 4.34Å; T432-E436 WeakPolarHBondContact CG2-OE1 3.44Å; T432-E436 WeakPolarHBondContact O-CG 3.28Å; T432-E436 PolarHBondContact O-N 2.87Å; E436-V438 PolarHBondContact O-N 3.14Å; E436-I439 PolarHBondContact O-N 3.41Å; E436-D440 PolarHBondContact O-N 3.16Å
437	G	98.2	Very high	97.5	Very high	5 Å²	5	45 Å²	45	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-38.2	177.8	0	0	0	0	0	113.4	E433 V435 V441	E433-G437 PolarHBondContact O-N 3.37Å; V435-G437 PolarHBondContact O-N 3.09Å; G437-V441 VanDerWaalsContact O-CB 3.29Å; G437-V441 WeakPolarHBondContact O-CB 3.31Å; G437-V441 WeakPolarHBondContact O-CG2 3.38Å; G437-V441 PolarHBondContact O-N 2.97Å
438	V	98.6	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-42.8	173.3	172.7	0	0	0	0	111.2	L35 L38 F422 L430 G434 V435 E436 I442 L454 L458	L35-V438 HydrophobicContact CD1-CG1 4.24Å; L38-V438 HydrophobicContact CD1-CG1 3.9Å; F422-V438 HydrophobicContact CE1-CB 4.22Å; F422-V438 HydrophobicContact CE1-CG1 4.17Å; F422-V438 HydrophobicContact CE2-CB 4.49Å; F422-V438 HydrophobicContact CE2-CG1 3.74Å; F422-V438 HydrophobicContact CZ-CB 3.64Å; F422-V438 HydrophobicContact CZ-CG1 3.35Å; F422-V438 HydrophobicContact CZ-CG2 4.38Å; L430-V438 HydrophobicContact CD1-CG2 4.39Å; G434-V438 VanDerWaalsContact O-CG2 3.31Å; G434-V438 WeakPolarHBondContact O-CG2 3.43Å; G434-V438 PolarHBondContact O-N 3.33Å; G434-V438 VanDerWaalsContact O-N 3.13Å; V435-V438 PolarHBondContact O-N 2.91Å; E436-V438 PolarHBondContact O-N 3.14Å; V438-I442 HydrophobicContact CG1-CG1 4.11Å; V438-I442 WeakPolarHBondContact O-CB 3.43Å; V438-I442 VanDerWaalsContact O-CG1 3.29Å; V438-I442 WeakPolarHBondContact O-CG1 3.38Å; V438-I442 PolarHBondContact O-N 3.31Å; V438-L454 HydrophobicContact CB-CD1 4.48Å; V438-L454 HydrophobicContact CG1-CD1 4.14Å; V438-L454 HydrophobicContact CG2-CD1 4.2Å; V438-L458 HydrophobicContact CG2-CD2 3.85Å; V438-L458 HydrophobicContact CG2-CG 4.22Å
439	I	98.7	Very high	97.7	Very high	43 Å²	43	47.2 Å²	47.2	22%	0.221	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-48.1	178.6	-67.9	163.2	0	0	0	110.3	L35 V419 F422 I423 V435 E436 G443	L35-I439 HydrophobicContact CD1-CG1 4.37Å; V419-I439 HydrophobicContact CG1-CD1 3.93Å; V419-I439 HydrophobicContact CG1-CG1 4.43Å; V419-I439 HydrophobicContact CG1-CG2 4.47Å; F422-I439 HydrophobicContact CD1-CD1 3.87Å; F422-I439 HydrophobicContact CD1-CG1 3.56Å; F422-I439 HydrophobicContact CE1-CD1 4.03Å; F422-I439 HydrophobicContact CE1-CG1 3.58Å; I423-I439 HydrophobicContact CD1-CD1 4.12Å; I423-I439 HydrophobicContact CG1-CD1 3.79Å; V435-I439 HydrophobicContact CG1-CD1 4.04Å; V435-I439 WeakPolarHBondContact O-CG1 3.49Å; V435-I439 PolarHBondContact O-N 3.34Å; V435-I439 VanDerWaalsContact O-N 3.13Å; E436-I439 PolarHBondContact O-N 3.41Å; I439-G443 WeakPolarHBondContact O-CA 3.47Å; I439-G443 PolarHBondContact O-N 3.4Å
440	D	98.4	Very high	97.6	Very high	95 Å²	95	51.3 Å²	51.3	51%	0.508	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-49.7	-179.6	179.7	55.1	0	0	0	111.9	E436 I442 G443 N444	E436-D440 PolarHBondContact O-N 3.16Å; D440-I442 PolarHBondContact O-N 2.59Å; D440-G443 PolarHBondContact O-N 2.82Å; D440-N444 WeakPolarHBondContact O-CB 3.26Å; D440-N444 PolarHBondContact O-N 3.37Å; D440-N444 PolarHBondContact O-ND2 3.23Å; D440-N444 PolarHBondContact OD1-ND2 3.01Å
441	V	98.4	Very high	97.3	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-45.5	-179.7	169.4	0	0	0	0	111.3	G437 N444 I445 V448 V453 L454 Y457	G437-V441 VanDerWaalsContact O-CB 3.29Å; G437-V441 WeakPolarHBondContact O-CB 3.31Å; G437-V441 WeakPolarHBondContact O-CG2 3.38Å; G437-V441 PolarHBondContact O-N 2.97Å; V441-N444 CarbonylContact O-C 3.53Å; V441-I445 WeakPolarHBondContact O-CA 3.48Å; V441-I445 VanDerWaalsContact O-CB 3.24Å; V441-I445 WeakPolarHBondContact O-CB 3.47Å; V441-I445 PolarHBondContact O-N 3.33Å; V441-V448 HydrophobicContact CG1-CG2 4.24Å; V441-V453 HydrophobicContact CG1-CG1 3.95Å; V441-V453 HydrophobicContact CG2-CG1 3.88Å; V441-V453 HydrophobicContact CG2-CG2 4.18Å; V441-L454 HydrophobicContact CB-CD1 4.38Å; V441-L454 HydrophobicContact CG1-CB 3.88Å; V441-L454 HydrophobicContact CG1-CD1 3.97Å; V441-L454 HydrophobicContact CG1-CG 4.42Å; V441-Y457 HydrophobicContact CG2-CD2 3.89Å; V441-Y457 HydrophobicContact CG2-CE2 3.65Å
442	I	98.5	Very high	96.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-41.2	178	-65.8	-62.7	0	0	0	110.8	K31 M34 L35 L38 V438 D440 N444 I445 L454	K31-I442 HydrophobicContact CB-CG2 4.29Å; K31-I442 WeakPolarHBondContact CD-O 3.39Å; K31-I442 WeakPolarHBondContact CG-O 3.47Å; K31-I442 VanDerWaalsContact O-CG2 3.29Å; K31-I442 WeakPolarHBondContact O-CG2 3.33Å; M34-I442 HydrophobicContact CB-CD1 4.17Å; M34-I442 HydrophobicContact CB-CG2 4.42Å; M34-I442 HydrophobicContact CE-CD1 4.13Å; L35-I442 HydrophobicContact CB-CG2 3.96Å; L35-I442 HydrophobicContact CD1-CB 4.33Å; L35-I442 HydrophobicContact CD1-CG1 4.48Å; L35-I442 HydrophobicContact CD1-CG2 4.42Å; L38-I442 HydrophobicContact CD1-CD1 3.87Å; L38-I442 HydrophobicContact CD1-CG1 3.96Å; V438-I442 HydrophobicContact CG1-CG1 4.11Å; V438-I442 WeakPolarHBondContact O-CB 3.43Å; V438-I442 VanDerWaalsContact O-CG1 3.29Å; V438-I442 WeakPolarHBondContact O-CG1 3.38Å; V438-I442 PolarHBondContact O-N 3.31Å; D440-I442 PolarHBondContact O-N 2.59Å; I442-N444 PolarHBondContact O-N 3.48Å; I442-I445 HydrophobicContact CD1-CD1 4.13Å; I442-I445 WeakPolarHBondContact O-CG2 3.32Å; I442-I445 PolarHBondContact O-N 2.85Å; I442-L454 HydrophobicContact CD1-CD1 4.01Å; I442-L454 HydrophobicContact CD1-CD2 3.8Å; I442-L454 HydrophobicContact CG1-CD1 4.11Å
443	G	98	Very high	96.7	Very high	33 Å²	33	49.2 Å²	49.2	34%	0.34	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-32.5	179	0	0	0	0	0	113.4	K31 I439 D440	K31-G443 WeakPolarHBondContact CD-O 3.43Å; K31-G443 PolarHBondContact NZ-O 3.43Å; I439-G443 WeakPolarHBondContact O-CA 3.47Å; I439-G443 PolarHBondContact O-N 3.4Å; D440-G443 PolarHBondContact O-N 2.82Å
444	N	97.9	Very high	96.5	Very high	63 Å²	63	43.6 Å²	43.6	34%	0.337	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	18.5	-177.4	-65	-66.2	0	0	0	113.7	D440 V441 I442 E446 K447	D440-N444 WeakPolarHBondContact O-CB 3.26Å; D440-N444 PolarHBondContact O-N 3.37Å; D440-N444 PolarHBondContact O-ND2 3.23Å; D440-N444 PolarHBondContact OD1-ND2 3.01Å; V441-N444 CarbonylContact O-C 3.53Å; I442-N444 PolarHBondContact O-N 3.48Å; N444-E446 PolarHBondContact O-N 3.13Å; N444-K447 PolarHBondContact O-N 3.41Å
445	I	98	Very high	96.1	Very high	3 Å²	3	44 Å²	44	2%	0.015	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-57.3	-31.1	-166.7	-166.9	172.7	0	0	0	113.4	K31 M34 G125 L128 L129 V441 I442 K447 V448	K31-I445 HydrophobicContact CD-CG2 4Å; K31-I445 HydrophobicContact CG-CG2 3.8Å; M34-I445 HydrophobicContact CE-CD1 3.45Å; M34-I445 VanDerWaalsContact CE-CD1 3.45Å; M34-I445 HydrophobicContact SD-CD1 4.2Å; G125-I445 CarbonylContact C-O 3.53Å; G125-I445 WeakPolarHBondContact CA-O 3.36Å; L128-I445 HydrophobicContact CD2-CD1 4.11Å; L129-I445 HydrophobicContact CD1-CG2 3.54Å; L129-I445 HydrophobicContact CD2-CG2 3.84Å; L129-I445 HydrophobicContact CG-CG2 3.65Å; V441-I445 WeakPolarHBondContact O-CA 3.48Å; V441-I445 VanDerWaalsContact O-CB 3.24Å; V441-I445 WeakPolarHBondContact O-CB 3.47Å; V441-I445 PolarHBondContact O-N 3.33Å; I442-I445 HydrophobicContact CD1-CD1 4.13Å; I442-I445 WeakPolarHBondContact O-CG2 3.32Å; I442-I445 PolarHBondContact O-N 2.85Å; I445-K447 PolarHBondContact O-N 3.37Å; I445-K447 VanDerWaalsContact O-N 3.1Å; I445-V448 WeakPolarHBondContact O-CB 3.39Å; I445-V448 PolarHBondContact O-N 2.94Å; I445-V448 VanDerWaalsContact O-N 3.1Å
446	E	97.1	Very high	95.8	Very high	52 Å²	52	46.2 Å²	46.2	24%	0.243	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-62.7	-17.5	176.9	70.2	-76	175.1	0	0	114.1	K31 L126 L129 N444	K31-E446 IonicContact NZ-OE1 2.89Å; K31-E446 PolarHBondContact NZ-OE1 3.43Å; K31-E446 IonicContact NZ-OE2 3.81Å; K31-E446 PolarHBondContact NZ-OE2 2.99Å; L126-E446 HydrophobicContact CD1-CB 4.34Å; L129-E446 HydrophobicContact CD1-CB 3.84Å; N444-E446 PolarHBondContact O-N 3.13Å
447	K	97.1	Very high	95.7	Very high	155 Å²	155	43.2 Å²	43.2	67%	0.674	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-104.5	-4	178.6	-55.6	177.4	-172	163.8	0	113	N444 I445 P449	N444-K447 PolarHBondContact O-N 3.41Å; I445-K447 PolarHBondContact O-N 3.37Å; I445-K447 VanDerWaalsContact O-N 3.1Å; K447-P449 WeakPolarHBondContact O-CD 3.47Å
448	V	97.4	Very high	95.5	Very high	19 Å²	19	43.1 Å²	43.1	12%	0.115	24%	0.24	C	C	.	.			trans	-76.2	119.5	-175.9	171.6	0	0	0	0	109.4	G125 V441 I445 E450 V453	G125-V448 PolarHBondContact N-O 3.11Å; V441-V448 HydrophobicContact CG1-CG2 4.24Å; I445-V448 WeakPolarHBondContact O-CB 3.39Å; I445-V448 PolarHBondContact O-N 2.94Å; I445-V448 VanDerWaalsContact O-N 3.1Å; V448-E450 VanDerWaalsContact C-N 3.35Å; V448-E450 WeakPolarHBondContact CG1-O 3.47Å; V448-E450 PolarHBondContact O-N 3.4Å; V448-V453 HydrophobicContact CG1-CG1 3.64Å
449	P	95.9	Very high	95.2	Very high	110 Å²	110	46.8 Å²	46.8	71%	0.714	25%	0.254	S	S	*	.	S	Bend	trans	-70.6	-31.5	-175.9	27.1	-34.3	0	0	0	112.7	S124 K447	S124-P449 VanDerWaalsContact CA-O 3.3Å; S124-P449 WeakPolarHBondContact CA-O 3.49Å; S124-P449 WeakPolarHBondContact CB-O 3.48Å; K447-P449 WeakPolarHBondContact O-CD 3.47Å
450	E	94.3	Very high	95	Very high	102 Å²	102	47.3 Å²	47.3	48%	0.477	26%	0.256	S	S	.	.			trans	-138.6	123	178	-66.1	-171	-163.1	0	0	111.1	R122 V448 S452 V453	R122-E450 HydrophobicContact CB-CB 4.22Å; R122-E450 HydrophobicContact CB-CG 4.17Å; V448-E450 VanDerWaalsContact C-N 3.35Å; V448-E450 WeakPolarHBondContact CG1-O 3.47Å; V448-E450 PolarHBondContact O-N 3.4Å; E450-S452 PolarHBondContact O-N 3.18Å; E450-S452 VanDerWaalsContact O-N 3.12Å; E450-S452 PolarHBondContact OE2-OG 2.95Å; E450-V453 WeakPolarHBondContact O-CG1 3.42Å; E450-V453 PolarHBondContact O-N 3.03Å
451	C	90.9	Very high	94.5	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.054	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.9	-177.9	78.1	0	0	0	0	113.9	P123 L128 V453 L454	P123-C451 PolarHBondContact O-N 2.95Å; L128-C451 HydrophobicContact CD2-CB 3.96Å; C451-V453 PolarHBondContact O-N 3.13Å; C451-L454 WeakPolarHBondContact O-CB 3.35Å; C451-L454 PolarHBondContact O-N 3.21Å; C451-L454 VanDerWaalsContact O-N 3.11Å
452	S	88.8	Confident	93.6	Very high	40 Å²	40	45.9 Å²	45.9	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-58.6	-27.2	177.6	59.6	0	0	0	0	112.5	E450 L454 G455 S456	E450-S452 PolarHBondContact O-N 3.18Å; E450-S452 VanDerWaalsContact O-N 3.12Å; E450-S452 PolarHBondContact OE2-OG 2.95Å; S452-L454 VanDerWaalsContact C-N 3.29Å; S452-L454 PolarHBondContact O-N 3.22Å; S452-G455 PolarHBondContact O-N 3.26Å; S452-S456 PolarHBondContact O-N 3.39Å; S452-S456 PolarHBondContact O-OG 3.24Å
453	V	92.6	Very high	91.9	Very high	48 Å²	48	51.7 Å²	51.7	29%	0.291	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-40.2	174.9	69.7	0	0	0	0	112	V441 V448 E450 C451 G455 S456 Y457	V441-V453 HydrophobicContact CG1-CG1 3.95Å; V441-V453 HydrophobicContact CG2-CG1 3.88Å; V441-V453 HydrophobicContact CG2-CG2 4.18Å; V448-V453 HydrophobicContact CG1-CG1 3.64Å; E450-V453 WeakPolarHBondContact O-CG1 3.42Å; E450-V453 PolarHBondContact O-N 3.03Å; C451-V453 PolarHBondContact O-N 3.13Å; V453-G455 VanDerWaalsContact C-N 3.34Å; V453-G455 PolarHBondContact O-N 3.27Å; V453-S456 WeakPolarHBondContact O-CB 3.42Å; V453-S456 PolarHBondContact O-N 3Å; V453-S456 VanDerWaalsContact O-N 3.12Å; V453-Y457 HydrophobicContact CG2-CD2 4.31Å; V453-Y457 HydrophobicContact CG2-CE2 3.74Å; V453-Y457 WeakPolarHBondContact O-CD2 3.39Å; V453-Y457 PolarHBondContact O-N 3.22Å
454	L	93.7	Very high	89.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-44	178.2	-177.2	60.2	0	0	0	111.2	L38 L113 V438 V441 I442 C451 S452 S456 Y457 L458	L38-L454 HydrophobicContact CD1-CD1 4.11Å; L38-L454 HydrophobicContact CD1-CD2 4.26Å; L113-L454 HydrophobicContact CD1-CD2 4.19Å; L113-L454 HydrophobicContact CD2-CD2 4.03Å; V438-L454 HydrophobicContact CB-CD1 4.48Å; V438-L454 HydrophobicContact CG1-CD1 4.14Å; V438-L454 HydrophobicContact CG2-CD1 4.2Å; V441-L454 HydrophobicContact CB-CD1 4.38Å; V441-L454 HydrophobicContact CG1-CB 3.88Å; V441-L454 HydrophobicContact CG1-CD1 3.97Å; V441-L454 HydrophobicContact CG1-CG 4.42Å; I442-L454 HydrophobicContact CD1-CD1 4.01Å; I442-L454 HydrophobicContact CD1-CD2 3.8Å; I442-L454 HydrophobicContact CG1-CD1 4.11Å; C451-L454 WeakPolarHBondContact O-CB 3.35Å; C451-L454 PolarHBondContact O-N 3.21Å; C451-L454 VanDerWaalsContact O-N 3.11Å; S452-L454 VanDerWaalsContact C-N 3.29Å; S452-L454 PolarHBondContact O-N 3.22Å; L454-S456 PolarHBondContact O-N 2.91Å; L454-Y457 PolarHBondContact O-N 3.1Å; L454-L458 HydrophobicContact CG-CD1 4.09Å; L454-L458 WeakPolarHBondContact O-CG 3.5Å; L454-L458 PolarHBondContact O-N 2.83Å; L454-L458 VanDerWaalsContact O-N 3.11Å
455	G	89.6	Confident	86.7	Confident	9 Å²	9	59.8 Å²	59.8	9%	0.093	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-30.9	178.1	0	0	0	0	0	112.8	S452 V453 R459	S452-G455 PolarHBondContact O-N 3.26Å; V453-G455 VanDerWaalsContact C-N 3.34Å; V453-G455 PolarHBondContact O-N 3.27Å; G455-R459 WeakPolarHBondContact O-CG 3.17Å; G455-R459 VanDerWaalsContact O-CZ 3.26Å; G455-R459 PolarHBondContact O-NH1 2.93Å; G455-R459 VanDerWaalsContact O-NH1 3.14Å
456	S	91.3	Very high	84	Confident	52 Å²	52	67 Å²	67	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-67.6	-48.5	177.9	-57.3	0	0	0	0	111.7	S452 V453 L454 L458 R459 M460	S452-S456 PolarHBondContact O-N 3.39Å; S452-S456 PolarHBondContact O-OG 3.24Å; V453-S456 WeakPolarHBondContact O-CB 3.42Å; V453-S456 PolarHBondContact O-N 3Å; V453-S456 VanDerWaalsContact O-N 3.12Å; L454-S456 PolarHBondContact O-N 2.91Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-L458 PolarHBondContact O-N 2.6Å; S456-R459 PolarHBondContact O-N 2.74Å; S456-R459 VanDerWaalsContact O-N 3.12Å; S456-R459 PolarHBondContact OG-NH2 3.39Å; S456-M460 WeakPolarHBondContact O-CG 3.48Å
457	Y	95.9	Very high	81.3	Confident	60 Å²	60	68.7 Å²	68.7	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-36.6	176.5	-66	-59.6	0	0	0	113	V441 V453 L454 R459 M460	V441-Y457 HydrophobicContact CG2-CD2 3.89Å; V441-Y457 HydrophobicContact CG2-CE2 3.65Å; V453-Y457 HydrophobicContact CG2-CD2 4.31Å; V453-Y457 HydrophobicContact CG2-CE2 3.74Å; V453-Y457 WeakPolarHBondContact O-CD2 3.39Å; V453-Y457 PolarHBondContact O-N 3.22Å; L454-Y457 PolarHBondContact O-N 3.1Å; Y457-R459 PolarHBondContact O-N 2.89Å; Y457-M460 HydrophobicContact CD1-SD 3.56Å; Y457-M460 VanDerWaalsContact CD1-SD 3.56Å; Y457-M460 HydrophobicContact CE1-SD 4.07Å; Y457-M460 PolarHBondContact O-N 3.11Å
458	L	94.7	Very high	78.4	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.4	175.8	-69	173.1	0	0	0	114.2	L38 L42 G70 L113 V438 L454 S456	L38-L458 HydrophobicContact CD1-CD2 4.49Å; L38-L458 HydrophobicContact CD2-CD1 3.81Å; L38-L458 HydrophobicContact CD2-CD2 3.97Å; L42-L458 HydrophobicContact CD1-CD2 4.13Å; L42-L458 HydrophobicContact CD2-CD2 4.41Å; L42-L458 HydrophobicContact CG-CD2 4.47Å; G70-L458 PolarHBondContact N-O 3.14Å; L113-L458 HydrophobicContact CD1-CD1 4.08Å; V438-L458 HydrophobicContact CG2-CD2 3.85Å; V438-L458 HydrophobicContact CG2-CG 4.22Å; L454-L458 HydrophobicContact CG-CD1 4.09Å; L454-L458 WeakPolarHBondContact O-CG 3.5Å; L454-L458 PolarHBondContact O-N 2.83Å; L454-L458 VanDerWaalsContact O-N 3.11Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-L458 PolarHBondContact O-N 2.6Å
459	R	91.9	Very high	75.4	Confident	77 Å²	77	74.6 Å²	74.6	29%	0.291	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-1.5	175.2	-64.8	-174.5	-56.7	-94.9	-5.5	113.4	S67 S72 E117 G455 S456 Y457 T461	S67-R459 PolarHBondContact OG-NH1 2.94Å; S72-R459 WeakPolarHBondContact CB-O 3.46Å; E117-R459 IonicContact OE1-NH1 3.87Å; E117-R459 PolarHBondContact OE1-NH1 3.19Å; G455-R459 WeakPolarHBondContact O-CG 3.17Å; G455-R459 VanDerWaalsContact O-CZ 3.26Å; G455-R459 PolarHBondContact O-NH1 2.93Å; G455-R459 VanDerWaalsContact O-NH1 3.14Å; S456-R459 PolarHBondContact O-N 2.74Å; S456-R459 VanDerWaalsContact O-N 3.12Å; S456-R459 PolarHBondContact OG-NH2 3.39Å; Y457-R459 PolarHBondContact O-N 2.89Å; R459-T461 VanDerWaalsContact C-N 3.29Å; R459-T461 PolarHBondContact O-N 2.9Å
460	M	93.9	Very high	72.5	Confident	54 Å²	54	73.9 Å²	73.9	27%	0.266	39%	0.39	S	S	.	.			trans	-80	79.1	179	-63	-174	74.4	0	0	110.1	L430 C431 E433 S456 Y457	L430-M460 CarbonylContact C-O 3.38Å; L430-M460 VanDerWaalsContact CA-O 3.25Å; L430-M460 WeakPolarHBondContact CA-O 3.34Å; L430-M460 WeakPolarHBondContact CD2-O 3.41Å; C431-M460 PolarHBondContact N-O 3.4Å; C431-M460 PolarHBondContact SG-O 3.38Å; E433-M460 HydrophobicContact CB-CE 4.07Å; E433-M460 HydrophobicContact CG-CE 3.71Å; E433-M460 HydrophobicContact CG-SD 4.29Å; E433-M460 WeakPolarHBondContact OE2-CE 3.32Å; S456-M460 WeakPolarHBondContact O-CG 3.48Å; Y457-M460 HydrophobicContact CD1-SD 3.56Å; Y457-M460 VanDerWaalsContact CD1-SD 3.56Å; Y457-M460 HydrophobicContact CE1-SD 4.07Å; Y457-M460 PolarHBondContact O-N 3.11Å
461	T	89.6	Confident	69.7	Low	39 Å²	39	74.9 Å²	74.9	24%	0.239	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-81	142.8	-176.6	54.9	0	0	0	0	111.7	G70 V429 R459 N463	G70-T461 VanDerWaalsContact O-CG2 3.27Å; G70-T461 WeakPolarHBondContact O-CG2 3.48Å; V429-T461 WeakPolarHBondContact O-CA 3.33Å; R459-T461 VanDerWaalsContact C-N 3.29Å; R459-T461 PolarHBondContact O-N 2.9Å; T461-N463 PolarHBondContact O-N 3.22Å
462	S	78.9	Confident	66.9	Low	34 Å²	34	85.5 Å²	85.5	24%	0.238	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.7	128.3	170.9	-7.4	0	0	0	0	109.2	V429 L430 T464	V429-S462 PolarHBondContact O-N 3.42Å; V429-S462 PolarHBondContact O-OG 2.95Å; L430-S462 PolarHBondContact O-OG 3.36Å; S462-T464 PolarHBondContact O-N 3.27Å
463	N	61.7	Low	64.3	Low	124 Å²	124	91 Å²	91	66%	0.663	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-61.5	130.2	175.6	-85.3	-28.9	0	0	0	109.6	T461 L465 E466	T461-N463 PolarHBondContact O-N 3.22Å; N463-L465 PolarHBondContact O-N 3.31Å; N463-E466 PolarHBondContact O-N 3.28Å
464	T	49.3	Very low	61.7	Low	121 Å²	121	100.6 Å²	100.6	74%	0.742	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-1.6	-175.8	-10.2	0	0	0	0	115	S462	S462-T464 PolarHBondContact O-N 3.27Å
465	L	38.5	Very low	60.1	Low	145 Å²	145	105.6 Å²	105.6	76%	0.759	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-21.3	-179.4	-78.7	161.7	0	0	0	114	N463	N463-L465 PolarHBondContact O-N 3.31Å
466	E	40.1	Very low	58.5	Low	153 Å²	153	110.6 Å²	110.6	72%	0.715	56%	0.561	S	S	*	*	S	Bend	trans	-88.6	-21.8	-178.7	-75	-178.2	162.5	0	0	113.8	N463 V468 Y469	N463-E466 PolarHBondContact O-N 3.28Å; E466-V468 VanDerWaalsContact C-N 3.28Å; E466-V468 PolarHBondContact O-N 3.42Å; E466-Y469 PolarHBondContact O-N 3.39Å
467	Q	40.8	Very low	56.7	Low	88 Å²	88	113.9 Å²	113.9	41%	0.411	57%	0.572	S	S	.	*	H	α-helix	trans	-72.7	-16.4	-178	-76.8	-176.4	-6.2	0	0	114.2	Y469 T471	Q467-Y469 VanDerWaalsContact C-N 3.34Å; Q467-T471 PolarHBondContact O-OG1 3.18Å; Q467-T471 VanDerWaalsContact O-OG1 3.07Å
468	V	36.3	Very low	54.4	Low	103 Å²	103	117.1 Å²	117.1	62%	0.624	59%	0.592	S	S	*	*	H	α-helix	trans	-77.5	-20.8	176.3	-177.6	0	0	0	0	112	E466	E466-V468 VanDerWaalsContact C-N 3.28Å; E466-V468 PolarHBondContact O-N 3.42Å
469	Y	35.3	Very low	51.9	Low	196 Å²	196	124.2 Å²	124.2	77%	0.769	63%	0.628	S	S	*	*	H	α-helix	trans	-91.3	-21.1	180	-73.1	-76	0	0	0	113.8	E466 Q467	E466-Y469 PolarHBondContact O-N 3.39Å; Q467-Y469 VanDerWaalsContact C-N 3.34Å
470	S	33.9	Very low	49.2	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	65%	0.651	S	S	*	*	H	α-helix	trans	-87.8	-12.8	-179.4	-158.8	0	0	0	0	114.6	R472	S470-R472 VanDerWaalsContact C-N 3.32Å
471	T	35	Very low	46	Very low	124 Å²	124	132.6 Å²	132.6	76%	0.761	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	5.6	175.8	6.2	0	0	0	0	113.8	Q467	Q467-T471 PolarHBondContact O-OG1 3.18Å; Q467-T471 VanDerWaalsContact O-OG1 3.07Å
472	R	33.3	Very low	42.7	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.868	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	2.3	174.7	-84.6	-170	176.4	-171.6	-0	115.1	S470	S470-R472 VanDerWaalsContact C-N 3.32Å
473	M	34.7	Very low	39.6	Very low	157 Å²	157	148.6 Å²	148.6	77%	0.773	75%	0.751	S	S	*	*			trans	-140.4	94.6	168.4	-72.6	-162.9	-71.8	0	0	109.3
474	I	36.8	Very low	37.6	Very low	248 Å²	248	150.8 Å²	150.8	100%	1.272	76%	0.759	S	S	*	*			trans	-178.5	0	134.7	-84.1	151.5	0	0	0	107.1

Retrieved 474 of 474 residues in 166.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).