A0A087X7V6_POEFO Loading...

palmitoyl-CoA hydrolase

Catalyzes the cleavage of thioester bonds from S-palmitoyl-CoA or S-palmitoyl-N-acetylcysteamine (unbranched structures) but does not have activity against palmitoylcysteine or palmitoylated proteins, branched structures or bulky head groups. Conversely, hydrolyzes both long and short chain fatty acyl-CoA substrate.

AlphaFold DB , UniProt , Accession A0A087X7V6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 301 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	39.7	Very low	39.4	Very low	243 Å²	243	165.3 Å²	165.3	100%	1.197	89%	0.89	S	S	*	*				0	132.9	0	-75	179.3	-170.6	0	0	108.2
2	A	40	Very low	39.5	Very low	108 Å²	108	172.5 Å²	172.5	89%	0.893	90%	0.895	S	S	*	*			trans	54.8	102.5	173.4	0	0	0	0	0	118.3
3	G	32.3	Very low	39.7	Very low	76 Å²	76	169.9 Å²	169.9	78%	0.784	89%	0.891	S	S	*	*			trans	-97.7	154.8	159.1	0	0	0	0	0	111.2
4	P	46.5	Very low	39.8	Very low	123 Å²	123	166.3 Å²	166.3	80%	0.799	89%	0.887	S	S	*	*			trans	-99.7	144.2	177.6	14.8	4.6	0	0	0	114.3
5	S	38.2	Very low	39.7	Very low	118 Å²	118	160.2 Å²	160.2	83%	0.825	88%	0.88	S	S	*	*			trans	-23.3	133	163.9	179.6	0	0	0	0	118.8
6	F	40.3	Very low	39.9	Very low	204 Å²	204	157.1 Å²	157.1	90%	0.895	88%	0.881	S	S	*	*			trans	-102.1	122.7	162.2	-94.2	-89.1	0	0	0	110.6
7	A	39.4	Very low	40.1	Very low	101 Å²	101	153.1 Å²	153.1	84%	0.835	87%	0.873	S	S	*	*			trans	-81.6	129	168.3	0	0	0	0	0	110.6
8	R	41.1	Very low	40.2	Very low	243 Å²	243	148.7 Å²	148.7	92%	0.917	87%	0.867	S	S	*	*			trans	-106.7	116.4	-178.5	-150	175.3	-173.6	-178.1	1.6	110
9	S	37.9	Very low	40.4	Very low	118 Å²	118	149.5 Å²	149.5	83%	0.825	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-68.1	129.8	174.2	168.7	0	0	0	0	111.5
10	R	38.6	Very low	40.4	Very low	244 Å²	244	151.2 Å²	151.2	92%	0.921	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-85.1	121.5	176.4	-80.3	-179.1	174.2	-178.5	-2.2	110.6
11	R	39.6	Very low	40.7	Very low	240 Å²	240	154.8 Å²	154.8	91%	0.906	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-79.2	132.5	162.1	-83	-178.6	176.1	179.1	-1.4	110.1
12	R	40.1	Very low	41.3	Very low	252 Å²	252	147.6 Å²	147.6	95%	0.951	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-69.2	133.4	165.8	-84	176.8	169.8	175.7	-3.6	109.8
13	V	42.8	Very low	41.8	Very low	139 Å²	139	150.9 Å²	150.9	84%	0.842	84%	0.841	S	S	*	*			trans	-122.9	124.2	158.8	177.9	0	0	0	0	106.8
14	S	41	Very low	42.6	Very low	119 Å²	119	154.7 Å²	154.7	83%	0.832	84%	0.842	S	S	*	*			trans	-73	120.5	175.9	55.4	0	0	0	0	110.2
15	G	37.5	Very low	42.7	Very low	75 Å²	75	151.6 Å²	151.6	77%	0.773	83%	0.833	S	S	*	*			trans	-105.5	108.5	164.8	0	0	0	0	0	109.3	A17	G15-A17 PolarHBondContact O-N 3.22Å
16	A	43.4	Very low	43.3	Very low	110 Å²	110	150.2 Å²	150.2	91%	0.909	83%	0.829	S	S	*	*			trans	-73.9	96.8	163.3	0	0	0	0	0	107.7	G18	A16-G18 PolarHBondContact O-N 3Å
17	A	44	Very low	43.6	Very low	90 Å²	90	145.6 Å²	145.6	74%	0.744	82%	0.821	S	S	*	*			trans	-84	101.9	167	0	0	0	0	0	107.6	G15 L19	G15-A17 PolarHBondContact O-N 3.22Å; A17-L19 PolarHBondContact O-N 3.27Å
18	G	41.9	Very low	44.2	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	82%	0.82	S	S	*	*			trans	-59.6	120.8	169.4	0	0	0	0	0	109.6	A16 M20	A16-G18 PolarHBondContact O-N 3Å; G18-M20 PolarHBondContact O-N 3.42Å
19	L	43.2	Very low	44.6	Very low	163 Å²	163	148 Å²	148	85%	0.853	82%	0.819	S	S	*	*			trans	-64.5	98.5	167.3	-86.5	100.1	0	0	0	108.6	A17 W21	A17-L19 PolarHBondContact O-N 3.27Å; L19-W21 PolarHBondContact O-N 3.19Å
20	M	41	Very low	45.1	Very low	184 Å²	184	146.2 Å²	146.2	91%	0.906	81%	0.812	S	S	*	*			trans	-75.5	95.3	154.7	-77.8	-169.2	69.7	0	0	107.6	G18 P22	G18-M20 PolarHBondContact O-N 3.42Å; M20-P22 WeakPolarHBondContact O-CD 3.4Å
21	W	47.1	Very low	45.6	Very low	227 Å²	227	138.2 Å²	138.2	86%	0.86	80%	0.798	S	S	*	*			trans	-69.3	118.9	162.4	-133.4	-31.9	0	0	0	107	L19 L23	L19-W21 PolarHBondContact O-N 3.19Å; W21-L23 PolarHBondContact O-N 2.89Å
22	P	52.4	Low	46.3	Very low	92 Å²	92	133.2 Å²	133.2	60%	0.597	79%	0.793	S	S	*	*			trans	-74.2	113.5	163.3	27.9	-22.1	0	0	0	106.3	M20 L24	M20-P22 WeakPolarHBondContact O-CD 3.4Å; P22-L24 HydrophobicContact CB-CD1 4.44Å; P22-L24 HydrophobicContact CB-CG 4.45Å; P22-L24 HydrophobicContact CG-CD1 4.36Å; P22-L24 PolarHBondContact O-N 2.78Å
23	L	48.7	Very low	47.2	Very low	177 Å²	177	126.3 Å²	126.3	93%	0.927	78%	0.779	S	S	*	*			trans	-59.1	73.3	151.6	-78.8	156.9	0	0	0	107.4	W21 G25	W21-L23 PolarHBondContact O-N 2.89Å; L23-G25 PolarHBondContact O-N 3.2Å
24	L	50.4	Low	48.9	Very low	155 Å²	155	122.5 Å²	122.5	81%	0.812	77%	0.768	S	S	*	*			trans	-69.1	85.5	157.5	-88.6	154.5	0	0	0	104.7	P22 A26	P22-L24 HydrophobicContact CB-CD1 4.44Å; P22-L24 HydrophobicContact CB-CG 4.45Å; P22-L24 HydrophobicContact CG-CD1 4.36Å; P22-L24 PolarHBondContact O-N 2.78Å; L24-A26 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact O-N 3.08Å
25	G	48.8	Very low	51.4	Low	59 Å²	59	120.2 Å²	120.2	61%	0.608	74%	0.742	S	S	*	*			trans	-45.8	119.6	170.9	0	0	0	0	0	107.6	L23 C27	L23-G25 PolarHBondContact O-N 3.2Å; G25-C27 PolarHBondContact O-N 3.46Å
26	A	49.3	Very low	54.2	Low	89 Å²	89	118.4 Å²	118.4	74%	0.736	71%	0.713	S	S	*	*			trans	-57.1	88.9	159.5	0	0	0	0	0	106.3	L24 L28	L24-A26 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact O-N 3.08Å; A26-L28 PolarHBondContact O-N 3.13Å
27	C	46.9	Very low	56.8	Low	107 Å²	107	114.4 Å²	114.4	72%	0.723	68%	0.677	S	S	*	*			trans	-61.3	84.1	149.6	-73.9	0	0	0	0	104.2	G25 W29	G25-C27 PolarHBondContact O-N 3.46Å; C27-W29 PolarHBondContact O-N 3.39Å
28	L	53	Low	59.4	Low	156 Å²	156	110.1 Å²	110.1	82%	0.817	64%	0.642	S	S	*	*			trans	-50.6	99.4	152.8	-86.8	146.8	0	0	0	104	A26 A30	A26-L28 PolarHBondContact O-N 3.13Å; L28-A30 PolarHBondContact O-N 2.89Å
29	W	49	Very low	62.1	Low	238 Å²	238	106.6 Å²	106.6	90%	0.902	61%	0.606	S	S	*	*			trans	-60.3	83.8	153.8	-77.1	56.7	0	0	0	104	C27 A31	C27-W29 PolarHBondContact O-N 3.39Å; W29-A31 PolarHBondContact O-N 3.48Å
30	A	47.9	Very low	64.8	Low	80 Å²	80	98.9 Å²	98.9	66%	0.661	57%	0.565	S	S	*	*			trans	-60.8	89.6	150.7	0	0	0	0	0	102.9	L28 V32	L28-A30 PolarHBondContact O-N 2.89Å; A30-V32 PolarHBondContact O-N 3.35Å
31	A	48.7	Very low	67.6	Low	76 Å²	76	90.1 Å²	90.1	63%	0.628	52%	0.522	S	S	*	.			trans	-54.4	102.8	158.9	0	0	0	0	0	103.3	W29 V33	W29-A31 PolarHBondContact O-N 3.48Å; A31-V33 PolarHBondContact O-N 2.79Å
32	V	54.3	Low	70	Confident	135 Å²	135	79.5 Å²	79.5	82%	0.818	48%	0.482	S	S	*	.			trans	-63.6	98	167	179	0	0	0	0	102.5	A30 G34	A30-V32 PolarHBondContact O-N 3.35Å; V32-G34 PolarHBondContact O-N 2.83Å
33	V	59.3	Low	72.2	Confident	107 Å²	107	75.1 Å²	75.1	65%	0.648	45%	0.454	S	S	*	.			trans	-67.3	94.1	173.4	-179.3	0	0	0	0	104.5	A31	A31-V33 PolarHBondContact O-N 2.79Å
34	G	78.9	Confident	74.4	Confident	59 Å²	59	67.5 Å²	67.5	61%	0.608	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-74.1	123.5	173.4	0	0	0	0	0	108.4	V32	V32-G34 PolarHBondContact O-N 2.83Å
35	Y	93.7	Very high	76.6	Confident	71 Å²	71	62.4 Å²	62.4	28%	0.278	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-69.1	144.8	170.8	-61.7	-82.1	0	0	0	110	H62 T65	Y35-H62 HydrophobicContact CD1-CB 3.86Å; Y35-H62 AromaticContact CD1-CG 3.72Å; Y35-H62 AromaticContact CD1-ND1 3.83Å; Y35-H62 HydrophobicContact CD2-CB 3.73Å; Y35-H62 HydrophobicContact CE1-CB 3.76Å; Y35-H62 AromaticContact CE1-CD2 3.4Å; Y35-H62 VanDerWaalsContact CE1-CD2 3.4Å; Y35-H62 WeakPolarHBondContact CE1-CD2 3.39Å; Y35-H62 AromaticContact CE1-CG 3.44Å; Y35-H62 VanDerWaalsContact CE1-CG 3.44Å; Y35-H62 AromaticContact CE1-ND1 3.87Å; Y35-H62 AromaticContact CE1-NE2 3.86Å; Y35-H62 HydrophobicContact CE2-CB 3.64Å; Y35-H62 HydrophobicContact CG-CB 3.84Å; Y35-H62 AromaticContact CZ-CD2 3.62Å; Y35-H62 AromaticContact CZ-CG 3.73Å; Y35-T65 VanDerWaalsContact CB-OG1 3.26Å; Y35-T65 WeakPolarHBondContact CB-OG1 3.43Å; Y35-T65 WeakPolarHBondContact CD2-OG1 3.46Å
36	K	96.9	Very high	78.9	Confident	38 Å²	38	60.5 Å²	60.5	17%	0.165	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-60	145.6	174.1	-59.7	-178.4	-163.2	-61.9	0	109.9	D102 G103 H129	K36-D102 WeakPolarHBondContact CD-O 3.45Å; K36-D102 WeakPolarHBondContact CE-O 3.31Å; K36-D102 PolarHBondContact NZ-O 3.08Å; K36-G103 WeakPolarHBondContact CB-O 3.31Å; K36-H129 HydrophobicContact CD-CB 4.01Å
37	P	98.1	Very high	81.2	Confident	26 Å²	26	56.6 Å²	56.6	17%	0.169	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-57.1	142.6	173.6	-23.8	34.2	0	0	0	111.7	N66 A100 V104 H105	P37-N66 CarbonylContact C-O 3.56Å; P37-N66 VanDerWaalsContact CA-O 3.26Å; P37-N66 WeakPolarHBondContact CA-O 3.4Å; P37-N66 HydrophobicContact CB-CB 4.28Å; P37-A100 HydrophobicContact CG-CB 4.01Å; P37-V104 HydrophobicContact CB-CG1 4.07Å; P37-V104 HydrophobicContact CG-CG1 4.31Å; P37-V104 CarbonylContact O-C 3.31Å; P37-V104 WeakPolarHBondContact O-CA 3.32Å; P37-V104 WeakPolarHBondContact O-CB 3.5Å; P37-H105 PolarHBondContact O-N 3.38Å
38	V	98.8	Very high	83.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.3	176.5	-177.7	0	0	0	0	108.6	I40 I58 T65 N66 V67 T68 H105 I107 L300	V38-I40 HydrophobicContact CG1-CG1 4.22Å; V38-I58 HydrophobicContact CG1-CD1 4.23Å; V38-T65 HydrophobicContact CB-CG2 4.48Å; V38-T65 HydrophobicContact CG2-CG2 3.69Å; V38-N66 PolarHBondContact N-O 2.74Å; V38-V67 HydrophobicContact CB-CG1 4.43Å; V38-V67 HydrophobicContact CB-CG2 4.3Å; V38-V67 CarbonylContact O-C 3.58Å; V38-V67 WeakPolarHBondContact O-CA 3.43Å; V38-T68 PolarHBondContact O-N 3.33Å; V38-H105 HydrophobicContact CG2-CB 4.32Å; V38-I107 HydrophobicContact CG1-CD1 3.73Å; V38-I107 HydrophobicContact CG1-CG1 3.89Å; V38-L300 HydrophobicContact CG1-CD2 4.38Å; V38-L300 HydrophobicContact CG2-CD1 4.42Å; V38-L300 HydrophobicContact CG2-CD2 4.02Å
39	I	98.9	Very high	85.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.7	176.8	-59.6	-178.2	0	0	0	108.1	T68 I70 I93 I96 M97 V104 H105 F106 I107	I39-T68 CarbonylContact C-O 3.24Å; I39-T68 WeakPolarHBondContact CA-O 3.39Å; I39-I70 HydrophobicContact CG2-CD1 4.28Å; I39-I70 HydrophobicContact CG2-CG1 3.83Å; I39-I93 HydrophobicContact CD1-CG1 4.49Å; I39-I93 HydrophobicContact CD1-CG2 3.72Å; I39-I93 HydrophobicContact CG2-CD1 3.85Å; I39-I93 HydrophobicContact CG2-CG1 3.85Å; I39-I96 HydrophobicContact CD1-CB 3.9Å; I39-I96 HydrophobicContact CD1-CD1 4.1Å; I39-I96 HydrophobicContact CD1-CG2 3.69Å; I39-I96 HydrophobicContact CG1-CG2 4.2Å; I39-M97 HydrophobicContact CD1-CG 4.47Å; I39-V104 HydrophobicContact CD1-CB 4.41Å; I39-V104 HydrophobicContact CD1-CG1 4.41Å; I39-V104 HydrophobicContact CD1-CG2 4.21Å; I39-H105 PolarHBondContact N-O 2.7Å; I39-F106 HydrophobicContact CB-CD1 4Å; I39-F106 HydrophobicContact CB-CE1 4.18Å; I39-F106 HydrophobicContact CD1-CE1 4.04Å; I39-F106 HydrophobicContact CG2-CE1 4.45Å; I39-F106 CarbonylContact O-C 3.29Å; I39-F106 WeakPolarHBondContact O-CA 3.44Å; I39-I107 PolarHBondContact O-N 2.93Å
40	I	98.9	Very high	87.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.3	-179.2	-58.4	172.7	0	0	0	109.3	V38 F51 L54 I58 V67 T68 V69 I70 I107	V38-I40 HydrophobicContact CG1-CG1 4.22Å; I40-F51 HydrophobicContact CG2-CD1 3.53Å; I40-F51 HydrophobicContact CG2-CE1 3.74Å; I40-F51 HydrophobicContact CG2-CG 3.99Å; I40-F51 HydrophobicContact CG2-CZ 4.39Å; I40-L54 HydrophobicContact CD1-CD2 3.88Å; I40-L54 HydrophobicContact CD1-CG 4.28Å; I40-I58 HydrophobicContact CD1-CD1 4.38Å; I40-V67 HydrophobicContact CD1-CG1 3.55Å; I40-V67 HydrophobicContact CG1-CG1 4.25Å; I40-T68 PolarHBondContact N-O 3.49Å; I40-V69 HydrophobicContact CB-CB 4.29Å; I40-V69 HydrophobicContact CB-CG1 4.08Å; I40-V69 HydrophobicContact CB-CG2 4.03Å; I40-V69 HydrophobicContact CD1-CG2 3.93Å; I40-V69 HydrophobicContact CG1-CG2 4.46Å; I40-V69 HydrophobicContact CG2-CG1 4.02Å; I40-V69 HydrophobicContact CG2-CG2 4.43Å; I40-I70 PolarHBondContact O-N 3.49Å; I40-I70 VanDerWaalsContact O-N 3.09Å; I40-I107 VanDerWaalsContact CA-O 3.26Å; I40-I107 WeakPolarHBondContact CA-O 3.41Å; I40-I107 HydrophobicContact CG1-CB 4.27Å
41	V	98.9	Very high	90.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.3	174.2	180	0	0	0	0	108.6	F89 I93 I107 C108 Y109 V115 C116	V41-F89 HydrophobicContact CG1-CD1 4.12Å; V41-F89 HydrophobicContact CG1-CD2 4.35Å; V41-F89 HydrophobicContact CG1-CE1 3.86Å; V41-F89 HydrophobicContact CG1-CE2 4.08Å; V41-F89 HydrophobicContact CG1-CG 4.36Å; V41-F89 HydrophobicContact CG1-CZ 3.83Å; V41-F89 HydrophobicContact CG2-CD1 4.12Å; V41-F89 HydrophobicContact CG2-CE1 4.35Å; V41-I93 HydrophobicContact CG2-CD1 3.99Å; V41-I107 PolarHBondContact N-O 3.45Å; V41-C108 HydrophobicContact CB-CB 4.39Å; V41-C108 WeakPolarHBondContact O-CA 3.41Å; V41-Y109 PolarHBondContact O-N 3.15Å; V41-V115 HydrophobicContact CG1-CB 4.38Å; V41-V115 HydrophobicContact CG1-CG1 4.37Å; V41-C116 VanDerWaalsContact CG2-SG 3.53Å
42	H	98.7	Very high	92.7	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.019	22%	0.219	C	C	.	.			trans	-80.3	174.9	-173.5	69.3	74.1	0	0	0	113.3	D46 F51 L72 D74 G112	H42-D46 HydrophobicContact CB-CB 3.8Å; H42-F51 HydrophobicContact CB-CD2 4.27Å; H42-F51 HydrophobicContact CB-CE2 3.32Å; H42-F51 HydrophobicContact CB-CZ 3.71Å; H42-L72 PolarHBondContact NE2-O 2.98Å; H42-L72 VanDerWaalsContact NE2-O 3.09Å; H42-D74 IonicContact NE2-OD1 2.73Å; H42-D74 PolarHBondContact NE2-OD1 3.39Å; H42-G112 VanDerWaalsContact O-CA 3.22Å; H42-G112 WeakPolarHBondContact O-CA 3.36Å; H42-G112 PolarHBondContact O-N 3.04Å
43	G	97.8	Very high	94.8	Very high	1 Å²	1	35 Å²	35	1%	0.01	19%	0.194	C	C	.	.			trans	-98.8	-162.8	179.9	0	0	0	0	0	113.9	F45 Y109	G43-F45 PolarHBondContact O-N 3.23Å; G43-Y109 WeakPolarHBondContact CA-O 3.22Å; G43-Y109 PolarHBondContact N-O 3.49Å
44	L	95.7	Very high	96.7	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.089	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	132.1	174.7	-80.6	171.6	0	0	0	111.6	D46 L79 Q111 I174	L44-D46 PolarHBondContact O-N 2.94Å; L44-D46 VanDerWaalsContact O-N 3.15Å; L44-L79 HydrophobicContact CD2-CD2 3.77Å; L44-Q111 HydrophobicContact CG-CB 4.2Å; L44-I174 HydrophobicContact CD1-CD1 3.78Å; L44-I174 HydrophobicContact CD1-CG1 3.75Å; L44-I174 HydrophobicContact CD2-CD1 4.44Å; L44-I174 HydrophobicContact CD2-CG1 4.32Å
45	F	95.8	Very high	97.6	Very high	47 Å²	47	30.2 Å²	30.2	21%	0.206	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	7.7	175.3	-57.3	-60.6	0	0	0	117.2	G43 R75 S78 L79 Y147 Y150 L151	G43-F45 PolarHBondContact O-N 3.23Å; F45-R75 WeakPolarHBondContact CD1-O 3.37Å; F45-R75 WeakPolarHBondContact O-CD 3.17Å; F45-R75 PolarHBondContact O-NH1 2.89Å; F45-S78 PolarHBondContact N-OG 3.03Å; F45-L79 HydrophobicContact CE1-CD1 3.91Å; F45-L79 HydrophobicContact CE1-CG 4.13Å; F45-L79 HydrophobicContact CZ-CD1 3.85Å; F45-L79 HydrophobicContact CZ-CD2 4.19Å; F45-L79 HydrophobicContact CZ-CG 4.15Å; F45-Y147 HydrophobicContact CD2-CD1 4.33Å; F45-Y147 AromaticContact CD2-CE1 3.92Å; F45-Y147 HydrophobicContact CD2-CE1 3.92Å; F45-Y147 HydrophobicContact CE2-CD1 4.45Å; F45-Y147 HydrophobicContact CE2-CE1 4.47Å; F45-Y150 HydrophobicContact CE2-CE1 4.35Å; F45-Y150 HydrophobicContact CZ-CE1 4.28Å; F45-L151 HydrophobicContact CE2-CD1 4.08Å; F45-L151 HydrophobicContact CE2-CD2 3.99Å; F45-L151 HydrophobicContact CE2-CG 4.28Å; F45-L151 HydrophobicContact CZ-CD1 4.38Å; F45-L151 HydrophobicContact CZ-CD2 3.57Å; F45-L151 HydrophobicContact CZ-CG 4.35Å
46	D	96.9	Very high	97.8	Very high	20 Å²	20	32.5 Å²	32.5	11%	0.107	16%	0.157	C	C	.	.			trans	-85.8	175.3	175.4	-73.8	-26.4	0	0	0	112.6	H42 L44 D50 F51 D74 R75 Y109	H42-D46 HydrophobicContact CB-CB 3.8Å; L44-D46 PolarHBondContact O-N 2.94Å; L44-D46 VanDerWaalsContact O-N 3.15Å; D46-D50 WeakPolarHBondContact CA-OD2 3.22Å; D46-D50 HydrophobicContact CB-CB 4.4Å; D46-F51 HydrophobicContact CB-CE2 4.26Å; D46-D74 WeakPolarHBondContact O-CA 3.4Å; D46-R75 PolarHBondContact O-N 3.27Å; D46-Y109 WeakPolarHBondContact OD2-CD1 3.28Å; D46-Y109 WeakPolarHBondContact OD2-CE1 3.44Å
47	S	97.6	Very high	97.9	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.042	15%	0.15	C	C	.	.			trans	-146.4	-175.2	159.4	70.9	0	0	0	0	110.2	D49 D50 F51 D74 R75	S47-D49 PolarHBondContact O-N 2.58Å; S47-D49 VanDerWaalsContact O-N 3.13Å; S47-D50 PolarHBondContact N-OD2 3.49Å; S47-D50 PolarHBondContact O-N 3.41Å; S47-F51 WeakPolarHBondContact O-CD2 3.44Å; S47-D74 WeakPolarHBondContact CB-OD2 2.9Å; S47-R75 PolarHBondContact OG-NH2 3.23Å
48	S	96.3	Very high	97.9	Very high	24 Å²	24	29.7 Å²	29.7	17%	0.168	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-54.8	-30	174.6	56.1	0	0	0	0	114.7	D50 F51 D71	S48-D50 PolarHBondContact O-N 3.07Å; S48-D50 VanDerWaalsContact O-N 3.12Å; S48-F51 PolarHBondContact O-N 2.9Å; S48-D71 WeakPolarHBondContact CB-OD1 3.49Å; S48-D71 PolarHBondContact N-OD1 3.02Å; S48-D71 VanDerWaalsContact N-OD1 3.07Å; S48-D71 VanDerWaalsContact OG-CG 3.25Å; S48-D71 PolarHBondContact OG-OD1 3.08Å; S48-D71 PolarHBondContact OG-OD2 2.75Å
49	D	96.9	Very high	97.8	Very high	88 Å²	88	34 Å²	34	47%	0.471	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-58.4	-26.9	-179.6	-84.8	-44	0	0	0	113.5	S47 F51 K52	S47-D49 PolarHBondContact O-N 2.58Å; S47-D49 VanDerWaalsContact O-N 3.13Å; D49-F51 VanDerWaalsContact C-N 3.3Å; D49-K52 WeakPolarHBondContact O-CD 3.1Å; D49-K52 WeakPolarHBondContact O-CG 3.44Å; D49-K52 WeakPolarHBondContact OD1-CE 3.4Å; D49-K52 IonicContact OD1-NZ 2.7Å; D49-K52 PolarHBondContact OD1-NZ 3.04Å
50	D	98.1	Very high	97.8	Very high	52 Å²	52	39.4 Å²	39.4	28%	0.278	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-79.4	-13.9	-178.3	-58.9	-61.6	0	0	0	112.2	D46 S47 S48 R75 H286	D46-D50 WeakPolarHBondContact CA-OD2 3.22Å; D46-D50 HydrophobicContact CB-CB 4.4Å; S47-D50 PolarHBondContact N-OD2 3.49Å; S47-D50 PolarHBondContact O-N 3.41Å; S48-D50 PolarHBondContact O-N 3.07Å; S48-D50 VanDerWaalsContact O-N 3.12Å; D50-R75 IonicContact OD1-NH1 3.16Å; D50-R75 IonicContact OD1-NH2 2.83Å; D50-R75 IonicContact OD2-CZ 3.92Å; D50-R75 VanDerWaalsContact OD2-CZ 3.26Å; D50-R75 IonicContact OD2-NH1 2.95Å; D50-R75 PolarHBondContact OD2-NH1 3.18Å; D50-R75 IonicContact OD2-NH2 3.88Å; D50-R75 PolarHBondContact OD2-NH2 3.24Å; D50-H286 PolarHBondContact O-CE1 3.2Å; D50-H286 PolarHBondContact O-ND1 3.16Å
51	F	98.4	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-100.9	9.7	-175.5	-68.6	-93.8	0	0	0	114.3	I40 H42 D46 S47 S48 D49 N53 L54 Q55 V69 Y109 H286	I40-F51 HydrophobicContact CG2-CD1 3.53Å; I40-F51 HydrophobicContact CG2-CE1 3.74Å; I40-F51 HydrophobicContact CG2-CG 3.99Å; I40-F51 HydrophobicContact CG2-CZ 4.39Å; H42-F51 HydrophobicContact CB-CD2 4.27Å; H42-F51 HydrophobicContact CB-CE2 3.32Å; H42-F51 HydrophobicContact CB-CZ 3.71Å; D46-F51 HydrophobicContact CB-CE2 4.26Å; S47-F51 WeakPolarHBondContact O-CD2 3.44Å; S48-F51 PolarHBondContact O-N 2.9Å; D49-F51 VanDerWaalsContact C-N 3.3Å; F51-N53 VanDerWaalsContact C-N 3.28Å; F51-N53 PolarHBondContact O-N 3.46Å; F51-L54 HydrophobicContact CD1-CD2 4.06Å; F51-L54 PolarHBondContact O-N 2.84Å; F51-L54 VanDerWaalsContact O-N 3.07Å; F51-Q55 WeakPolarHBondContact O-CG 3.5Å; F51-Q55 PolarHBondContact O-N 2.96Å; F51-V69 HydrophobicContact CB-CG1 4.4Å; F51-V69 HydrophobicContact CB-CG2 4.03Å; F51-V69 HydrophobicContact CD2-CG1 4.17Å; F51-V69 HydrophobicContact CG-CG1 4.34Å; F51-Y109 HydrophobicContact CE1-CD1 4.41Å; F51-Y109 HydrophobicContact CE1-CG 4.35Å; F51-Y109 AromaticContact CZ-CD1 3.79Å; F51-Y109 HydrophobicContact CZ-CD1 3.79Å; F51-Y109 HydrophobicContact CZ-CG 4.14Å; F51-H286 HydrophobicContact CD1-CB 3.93Å; F51-H286 HydrophobicContact CE1-CB 3.79Å; F51-H286 AromaticContact CE1-CG 3.92Å
52	K	98.1	Very high	97.5	Very high	119 Å²	119	41.3 Å²	41.3	52%	0.517	20%	0.202	S	C	.	.	H	α-helix	trans	-54.1	-40.7	179.8	-72.4	170.7	-177.8	156.7	0	113.4	D49 R56	D49-K52 WeakPolarHBondContact O-CD 3.1Å; D49-K52 WeakPolarHBondContact O-CG 3.44Å; D49-K52 WeakPolarHBondContact OD1-CE 3.4Å; D49-K52 IonicContact OD1-NZ 2.7Å; D49-K52 PolarHBondContact OD1-NZ 3.04Å; K52-R56 WeakPolarHBondContact O-CB 3.28Å; K52-R56 PolarHBondContact O-N 3.5Å
53	N	98.4	Very high	97.3	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-45.3	177.4	-72.9	-39.8	0	0	0	111.6	F51 Q55 R56 F57 S287	F51-N53 VanDerWaalsContact C-N 3.28Å; F51-N53 PolarHBondContact O-N 3.46Å; N53-Q55 PolarHBondContact O-N 3.3Å; N53-R56 WeakPolarHBondContact O-CB 3.19Å; N53-R56 PolarHBondContact O-N 3.44Å; N53-R56 PolarHBondContact OD1-NH2 3.23Å; N53-F57 HydrophobicContact CB-CE2 4.04Å; N53-F57 HydrophobicContact CB-CZ 4.14Å; N53-F57 WeakPolarHBondContact O-CD2 3.37Å; N53-F57 WeakPolarHBondContact O-CG 3.43Å; N53-F57 PolarHBondContact O-N 2.78Å; N53-S287 WeakPolarHBondContact ND2-CB 3.13Å; N53-S287 PolarHBondContact ND2-OG 2.97Å
54	L	98.7	Very high	97.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-44	177.5	-174.3	57	0	0	0	111.6	I40 F51 R56 F57 I58 I107 H286 F292 I296	I40-L54 HydrophobicContact CD1-CD2 3.88Å; I40-L54 HydrophobicContact CD1-CG 4.28Å; F51-L54 HydrophobicContact CD1-CD2 4.06Å; F51-L54 PolarHBondContact O-N 2.84Å; F51-L54 VanDerWaalsContact O-N 3.07Å; L54-R56 VanDerWaalsContact C-N 3.3Å; L54-R56 PolarHBondContact O-N 2.81Å; L54-F57 PolarHBondContact O-N 2.96Å; L54-I58 HydrophobicContact CD1-CD1 4.27Å; L54-I58 HydrophobicContact CD1-CG1 4.42Å; L54-I58 HydrophobicContact CG-CD1 4Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 2.7Å; L54-I107 HydrophobicContact CD2-CD1 4.14Å; L54-I107 HydrophobicContact CD2-CG2 4.08Å; L54-H286 WeakPolarHBondContact CB-O 3.45Å; L54-H286 HydrophobicContact CD2-CB 4.38Å; L54-H286 PolarHBondContact N-O 2.99Å; L54-F292 HydrophobicContact CD1-CD2 3.82Å; L54-F292 HydrophobicContact CD1-CE2 4.39Å; L54-I296 HydrophobicContact CD1-CD1 4.23Å
55	Q	98.4	Very high	97.1	Very high	65 Å²	65	48.6 Å²	48.6	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-42.1	174.9	-69.6	179.2	-70.5	0	0	111.5	F51 N53 I58 N59 V67 V69	F51-Q55 WeakPolarHBondContact O-CG 3.5Å; F51-Q55 PolarHBondContact O-N 2.96Å; N53-Q55 PolarHBondContact O-N 3.3Å; Q55-I58 PolarHBondContact O-N 3.16Å; Q55-N59 WeakPolarHBondContact O-CB 3.46Å; Q55-N59 PolarHBondContact O-N 3.36Å; Q55-V67 HydrophobicContact CG-CG1 4Å; Q55-V69 HydrophobicContact CG-CG2 4.09Å
56	R	98.4	Very high	97.2	Very high	119 Å²	119	50.7 Å²	50.7	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-50.6	175.1	-177.3	-174.8	66	-166.6	-4.8	111.3	K52 N53 L54 I58 N59 E60	K52-R56 WeakPolarHBondContact O-CB 3.28Å; K52-R56 PolarHBondContact O-N 3.5Å; N53-R56 WeakPolarHBondContact O-CB 3.19Å; N53-R56 PolarHBondContact O-N 3.44Å; N53-R56 PolarHBondContact OD1-NH2 3.23Å; L54-R56 VanDerWaalsContact C-N 3.3Å; L54-R56 PolarHBondContact O-N 2.81Å; R56-I58 VanDerWaalsContact C-N 3.33Å; R56-I58 PolarHBondContact O-N 2.75Å; R56-N59 PolarHBondContact O-N 3.03Å; R56-N59 VanDerWaalsContact O-N 3.13Å; R56-E60 WeakPolarHBondContact CD-OE1 3.47Å; R56-E60 HydrophobicContact CG-CG 4.3Å; R56-E60 VanDerWaalsContact CG-OE1 3.31Å; R56-E60 WeakPolarHBondContact CG-OE1 3.4Å; R56-E60 WeakPolarHBondContact O-CG 3.26Å; R56-E60 PolarHBondContact O-N 2.98Å
57	F	98.6	Very high	97.2	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-44.4	180	-57.5	-35.9	0	0	0	111.8	N53 L54 N59 E60 S61 E289 F292	N53-F57 HydrophobicContact CB-CE2 4.04Å; N53-F57 HydrophobicContact CB-CZ 4.14Å; N53-F57 WeakPolarHBondContact O-CD2 3.37Å; N53-F57 WeakPolarHBondContact O-CG 3.43Å; N53-F57 PolarHBondContact O-N 2.78Å; L54-F57 PolarHBondContact O-N 2.96Å; F57-N59 PolarHBondContact O-N 2.92Å; F57-E60 PolarHBondContact O-N 3.37Å; F57-S61 PolarHBondContact O-N 3.17Å; F57-E289 HydrophobicContact CE1-CB 3.96Å; F57-E289 HydrophobicContact CE1-CG 4.17Å; F57-E289 HydrophobicContact CE2-CB 4.43Å; F57-E289 HydrophobicContact CZ-CB 3.84Å; F57-F292 HydrophobicContact CB-CB 4.36Å; F57-F292 HydrophobicContact CB-CD1 3.61Å; F57-F292 HydrophobicContact CB-CD2 3.9Å; F57-F292 HydrophobicContact CB-CE1 3.78Å; F57-F292 HydrophobicContact CB-CE2 4.07Å; F57-F292 HydrophobicContact CB-CG 3.66Å; F57-F292 HydrophobicContact CB-CZ 4.01Å; F57-F292 HydrophobicContact CD2-CB 3.96Å; F57-F292 HydrophobicContact CD2-CG 4.17Å; F57-F292 HydrophobicContact CG-CB 4.41Å; F57-F292 HydrophobicContact CG-CD1 4.32Å; F57-F292 HydrophobicContact CG-CG 4.23Å; F57-F292 WeakPolarHBondContact O-CZ 3.25Å
58	I	98.4	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-44.8	175.9	-65.1	165.1	0	0	0	110.8	V38 I40 L54 Q55 R56 E60 H62 T65 V67 I107 F292 L300	V38-I58 HydrophobicContact CG1-CD1 4.23Å; I40-I58 HydrophobicContact CD1-CD1 4.38Å; L54-I58 HydrophobicContact CD1-CD1 4.27Å; L54-I58 HydrophobicContact CD1-CG1 4.42Å; L54-I58 HydrophobicContact CG-CD1 4Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 2.7Å; Q55-I58 PolarHBondContact O-N 3.16Å; R56-I58 VanDerWaalsContact C-N 3.33Å; R56-I58 PolarHBondContact O-N 2.75Å; I58-E60 VanDerWaalsContact C-N 3.35Å; I58-E60 PolarHBondContact O-N 2.82Å; I58-H62 CarbonylContact O-C 3.5Å; I58-H62 WeakPolarHBondContact O-CA 3.4Å; I58-H62 WeakPolarHBondContact O-CB 3.15Å; I58-H62 PolarHBondContact O-N 2.95Å; I58-T65 HydrophobicContact CG2-CG2 3.93Å; I58-V67 HydrophobicContact CB-CG2 4.17Å; I58-V67 HydrophobicContact CD1-CG1 4.26Å; I58-V67 HydrophobicContact CD1-CG2 4.18Å; I58-V67 HydrophobicContact CG2-CG2 3.57Å; I58-I107 HydrophobicContact CD1-CD1 4.03Å; I58-F292 HydrophobicContact CG1-CE2 3.67Å; I58-F292 HydrophobicContact CG1-CZ 4.25Å; I58-L300 HydrophobicContact CD1-CD1 4.14Å; I58-L300 HydrophobicContact CG1-CD1 3.81Å; I58-L300 HydrophobicContact CG2-CD1 4.5Å
59	N	97.1	Very high	97.4	Very high	92 Å²	92	52.3 Å²	52.3	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-68.5	-32.4	-179.1	-177.9	71.8	0	0	0	113.1	Q55 R56 F57 P63	Q55-N59 WeakPolarHBondContact O-CB 3.46Å; Q55-N59 PolarHBondContact O-N 3.36Å; R56-N59 PolarHBondContact O-N 3.03Å; R56-N59 VanDerWaalsContact O-N 3.13Å; F57-N59 PolarHBondContact O-N 2.92Å; N59-P63 VanDerWaalsContact O-CA 3.32Å; N59-P63 WeakPolarHBondContact O-CA 3.47Å; N59-P63 WeakPolarHBondContact O-CG 3.38Å
60	E	97.3	Very high	97.4	Very high	112 Å²	112	48.8 Å²	48.8	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-71.1	-42.9	176.5	-74.6	169.3	171.9	0	0	111.9	R56 F57 I58	R56-E60 WeakPolarHBondContact CD-OE1 3.47Å; R56-E60 HydrophobicContact CG-CG 4.3Å; R56-E60 VanDerWaalsContact CG-OE1 3.31Å; R56-E60 WeakPolarHBondContact CG-OE1 3.4Å; R56-E60 WeakPolarHBondContact O-CG 3.26Å; R56-E60 PolarHBondContact O-N 2.98Å; F57-E60 PolarHBondContact O-N 3.37Å; I58-E60 VanDerWaalsContact C-N 3.35Å; I58-E60 PolarHBondContact O-N 2.82Å
61	S	96.3	Very high	97.3	Very high	27 Å²	27	50.3 Å²	50.3	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-78.3	-41.7	178.4	-78.5	0	0	0	0	113.5	F57 P63 F292 E297	F57-S61 PolarHBondContact O-N 3.17Å; S61-P63 WeakPolarHBondContact O-CD 3.43Å; S61-F292 WeakPolarHBondContact OG-CE1 3.07Å; S61-E297 WeakPolarHBondContact CB-OE1 3.47Å; S61-E297 PolarHBondContact OG-OE1 2.8Å
62	H	95.3	Very high	97.3	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.065	29%	0.29	C	S	.	.	S	Bend	trans	-125.9	72.1	-175.6	-60.1	167.4	0	0	0	111	Y35 I58 G64 T65 E297 L300	Y35-H62 HydrophobicContact CD1-CB 3.86Å; Y35-H62 AromaticContact CD1-CG 3.72Å; Y35-H62 AromaticContact CD1-ND1 3.83Å; Y35-H62 HydrophobicContact CD2-CB 3.73Å; Y35-H62 HydrophobicContact CE1-CB 3.76Å; Y35-H62 AromaticContact CE1-CD2 3.4Å; Y35-H62 VanDerWaalsContact CE1-CD2 3.4Å; Y35-H62 WeakPolarHBondContact CE1-CD2 3.39Å; Y35-H62 AromaticContact CE1-CG 3.44Å; Y35-H62 VanDerWaalsContact CE1-CG 3.44Å; Y35-H62 AromaticContact CE1-ND1 3.87Å; Y35-H62 AromaticContact CE1-NE2 3.86Å; Y35-H62 HydrophobicContact CE2-CB 3.64Å; Y35-H62 HydrophobicContact CG-CB 3.84Å; Y35-H62 AromaticContact CZ-CD2 3.62Å; Y35-H62 AromaticContact CZ-CG 3.73Å; I58-H62 CarbonylContact O-C 3.5Å; I58-H62 WeakPolarHBondContact O-CA 3.4Å; I58-H62 WeakPolarHBondContact O-CB 3.15Å; I58-H62 PolarHBondContact O-N 2.95Å; H62-G64 PolarHBondContact O-N 3.12Å; H62-T65 WeakPolarHBondContact CB-OG1 3.14Å; H62-T65 WeakPolarHBondContact O-CB 3.19Å; H62-T65 PolarHBondContact O-N 3.17Å; H62-T65 VanDerWaalsContact O-N 3.16Å; H62-T65 PolarHBondContact O-OG1 3.34Å; H62-E297 PolarHBondContact CE1-O 3.5Å; H62-E297 VanDerWaalsContact CE1-O 3.32Å; H62-L300 PolarHBondContact CE1-O 3.18Å; H62-L300 PolarHBondContact ND1-O 2.81Å; H62-L300 VanDerWaalsContact ND1-O 3.1Å
63	P	95.1	Very high	97.3	Very high	87 Å²	87	49.2 Å²	49.2	57%	0.565	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.6	-177.1	-25.4	34	0	0	0	112.9	N59 S61	N59-P63 VanDerWaalsContact O-CA 3.32Å; N59-P63 WeakPolarHBondContact O-CA 3.47Å; N59-P63 WeakPolarHBondContact O-CG 3.38Å; S61-P63 WeakPolarHBondContact O-CD 3.43Å
64	G	93.2	Very high	97.3	Very high	72 Å²	72	48.9 Å²	48.9	74%	0.742	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	1.4	-179.6	0	0	0	0	0	115.1	H62 N66	H62-G64 PolarHBondContact O-N 3.12Å; G64-N66 PolarHBondContact O-N 3.13Å
65	T	96.1	Very high	97.2	Very high	15 Å²	15	53.7 Å²	53.7	9%	0.092	29%	0.289	C	S	.	.			trans	-59	128.4	170.5	-58	0	0	0	0	110.5	Y35 V38 I58 H62 V67	Y35-T65 VanDerWaalsContact CB-OG1 3.26Å; Y35-T65 WeakPolarHBondContact CB-OG1 3.43Å; Y35-T65 WeakPolarHBondContact CD2-OG1 3.46Å; V38-T65 HydrophobicContact CB-CG2 4.48Å; V38-T65 HydrophobicContact CG2-CG2 3.69Å; I58-T65 HydrophobicContact CG2-CG2 3.93Å; H62-T65 WeakPolarHBondContact CB-OG1 3.14Å; H62-T65 WeakPolarHBondContact O-CB 3.19Å; H62-T65 PolarHBondContact O-N 3.17Å; H62-T65 VanDerWaalsContact O-N 3.16Å; H62-T65 PolarHBondContact O-OG1 3.34Å; T65-V67 HydrophobicContact CG2-CG2 3.96Å; T65-V67 PolarHBondContact O-N 2.59Å
66	N	97	Very high	97.1	Very high	92 Å²	92	52.8 Å²	52.8	49%	0.492	30%	0.298	S	S	.	.			trans	-76.6	102.5	172.9	-176.2	-2.7	0	0	0	109.6	P37 V38 G64	P37-N66 CarbonylContact C-O 3.56Å; P37-N66 VanDerWaalsContact CA-O 3.26Å; P37-N66 WeakPolarHBondContact CA-O 3.4Å; P37-N66 HydrophobicContact CB-CB 4.28Å; V38-N66 PolarHBondContact N-O 2.74Å; G64-N66 PolarHBondContact O-N 3.13Å
67	V	98.1	Very high	97.1	Very high	29 Å²	29	49.2 Å²	49.2	18%	0.176	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.7	178.3	-173	0	0	0	0	109.9	V38 I40 Q55 I58 T65	V38-V67 HydrophobicContact CB-CG1 4.43Å; V38-V67 HydrophobicContact CB-CG2 4.3Å; V38-V67 CarbonylContact O-C 3.58Å; V38-V67 WeakPolarHBondContact O-CA 3.43Å; I40-V67 HydrophobicContact CD1-CG1 3.55Å; I40-V67 HydrophobicContact CG1-CG1 4.25Å; Q55-V67 HydrophobicContact CG-CG1 4Å; I58-V67 HydrophobicContact CB-CG2 4.17Å; I58-V67 HydrophobicContact CD1-CG1 4.26Å; I58-V67 HydrophobicContact CD1-CG2 4.18Å; I58-V67 HydrophobicContact CG2-CG2 3.57Å; T65-V67 HydrophobicContact CG2-CG2 3.96Å; T65-V67 PolarHBondContact O-N 2.59Å
68	T	98.4	Very high	97	Very high	41 Å²	41	49 Å²	49	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.5	175.1	-54.8	0	0	0	0	109.8	V38 I39 I40 I70 I96	V38-T68 PolarHBondContact O-N 3.33Å; I39-T68 CarbonylContact C-O 3.24Å; I39-T68 WeakPolarHBondContact CA-O 3.39Å; I40-T68 PolarHBondContact N-O 3.49Å; T68-I70 HydrophobicContact CG2-CD1 3.64Å; T68-I96 HydrophobicContact CG2-CD1 3.98Å
69	V	98.4	Very high	97	Very high	14 Å²	14	51.1 Å²	51.1	9%	0.085	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.7	165.8	-166.2	0	0	0	0	107.2	I40 F51 Q55 D71	I40-V69 HydrophobicContact CB-CB 4.29Å; I40-V69 HydrophobicContact CB-CG1 4.08Å; I40-V69 HydrophobicContact CB-CG2 4.03Å; I40-V69 HydrophobicContact CD1-CG2 3.93Å; I40-V69 HydrophobicContact CG1-CG2 4.46Å; I40-V69 HydrophobicContact CG2-CG1 4.02Å; I40-V69 HydrophobicContact CG2-CG2 4.43Å; F51-V69 HydrophobicContact CB-CG1 4.4Å; F51-V69 HydrophobicContact CB-CG2 4.03Å; F51-V69 HydrophobicContact CD2-CG1 4.17Å; F51-V69 HydrophobicContact CG-CG1 4.34Å; Q55-V69 HydrophobicContact CG-CG2 4.09Å; V69-D71 PolarHBondContact O-N 3.18Å
70	I	98.2	Very high	97.1	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	30%	0.297	C	S	.	.			trans	-83.5	113	-173.9	-53.9	-69.6	0	0	0	109.2	I39 I40 T68 L72 F89 A92 I93 I96	I39-I70 HydrophobicContact CG2-CD1 4.28Å; I39-I70 HydrophobicContact CG2-CG1 3.83Å; I40-I70 PolarHBondContact O-N 3.49Å; I40-I70 VanDerWaalsContact O-N 3.09Å; T68-I70 HydrophobicContact CG2-CD1 3.64Å; I70-L72 HydrophobicContact CG2-CB 4.19Å; I70-L72 HydrophobicContact CG2-CD1 3.93Å; I70-L72 HydrophobicContact CG2-CG 3.95Å; I70-L72 PolarHBondContact O-N 2.71Å; I70-L72 VanDerWaalsContact O-N 3.11Å; I70-F89 HydrophobicContact CB-CD1 3.86Å; I70-F89 HydrophobicContact CB-CE1 3.73Å; I70-F89 HydrophobicContact CG2-CD1 3.52Å; I70-F89 HydrophobicContact CG2-CE1 3.6Å; I70-A92 HydrophobicContact CG2-CB 4.05Å; I70-I93 HydrophobicContact CD1-CG1 4.14Å; I70-I93 HydrophobicContact CG1-CD1 4.41Å; I70-I93 HydrophobicContact CG1-CG1 3.99Å; I70-I96 HydrophobicContact CD1-CD1 3.76Å
71	D	96.4	Very high	97.1	Very high	85 Å²	85	46.4 Å²	46.4	46%	0.455	28%	0.282	S	S	.	.			trans	-81.8	76.5	176	-69.7	-46.7	0	0	0	111.1	S48 V69 D74	S48-D71 WeakPolarHBondContact CB-OD1 3.49Å; S48-D71 PolarHBondContact N-OD1 3.02Å; S48-D71 VanDerWaalsContact N-OD1 3.07Å; S48-D71 VanDerWaalsContact OG-CG 3.25Å; S48-D71 PolarHBondContact OG-OD1 3.08Å; S48-D71 PolarHBondContact OG-OD2 2.75Å; V69-D71 PolarHBondContact O-N 3.18Å; D71-D74 WeakPolarHBondContact CA-OD1 3.4Å
72	L	97.9	Very high	97.2	Very high	60 Å²	60	45.1 Å²	45.1	31%	0.314	27%	0.273	S	S	.	.	S	Bend	trans	-138.1	139.7	174.2	-74	179.4	0	0	0	109.6	H42 I70 D74 G88 F89 A92	H42-L72 PolarHBondContact NE2-O 2.98Å; H42-L72 VanDerWaalsContact NE2-O 3.09Å; I70-L72 HydrophobicContact CG2-CB 4.19Å; I70-L72 HydrophobicContact CG2-CD1 3.93Å; I70-L72 HydrophobicContact CG2-CG 3.95Å; I70-L72 PolarHBondContact O-N 2.71Å; I70-L72 VanDerWaalsContact O-N 3.11Å; L72-D74 PolarHBondContact N-OD1 3.37Å; L72-D74 PolarHBondContact O-N 2.89Å; L72-G88 WeakPolarHBondContact CD1-O 3.25Å; L72-F89 HydrophobicContact CB-CD1 4.36Å; L72-F89 HydrophobicContact CB-CE1 3.98Å; L72-F89 HydrophobicContact CB-CZ 4.09Å; L72-F89 WeakPolarHBondContact O-CZ 3.5Å; L72-A92 HydrophobicContact CD1-CB 3.62Å
73	F	98.4	Very high	97.4	Very high	35 Å²	35	47.3 Å²	47.3	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	60.6	31.9	-177.4	-51.5	-84.8	0	0	0	113.2	A77 S78 E80 K84 Q85 F89	F73-A77 HydrophobicContact CB-CB 4.37Å; F73-A77 CarbonylContact O-C 3.56Å; F73-S78 VanDerWaalsContact O-CA 3.23Å; F73-S78 WeakPolarHBondContact O-CA 3.16Å; F73-S78 VanDerWaalsContact O-CB 3.29Å; F73-S78 WeakPolarHBondContact O-CB 3.49Å; F73-S78 PolarHBondContact O-N 3Å; F73-E80 HydrophobicContact CD1-CB 4.04Å; F73-E80 HydrophobicContact CD1-CG 4.25Å; F73-E80 HydrophobicContact CE1-CB 4.26Å; F73-K84 HydrophobicContact CE1-CG 4.05Å; F73-K84 HydrophobicContact CZ-CG 4.23Å; F73-K84 WeakPolarHBondContact CZ-O 3.12Å; F73-Q85 HydrophobicContact CB-CG 4.28Å; F73-Q85 HydrophobicContact CD1-CG 3.92Å; F73-Q85 HydrophobicContact CD2-CB 4.24Å; F73-Q85 HydrophobicContact CD2-CG 4.04Å; F73-Q85 HydrophobicContact CE1-CG 4.24Å; F73-Q85 HydrophobicContact CE2-CB 4.3Å; F73-Q85 HydrophobicContact CE2-CG 4.36Å; F73-Q85 HydrophobicContact CG-CG 3.81Å; F73-Q85 HydrophobicContact CZ-CG 4.45Å; F73-F89 HydrophobicContact CB-CE2 4.44Å; F73-F89 AromaticContact CD2-CD2 3.92Å; F73-F89 HydrophobicContact CD2-CD2 3.92Å; F73-F89 AromaticContact CD2-CE2 3.62Å; F73-F89 HydrophobicContact CD2-CE2 3.62Å; F73-F89 HydrophobicContact CD2-CZ 4.31Å; F73-F89 HydrophobicContact CE2-CD2 4.26Å; F73-F89 HydrophobicContact CE2-CE2 4.41Å; F73-F89 HydrophobicContact CG-CE2 4.46Å
74	D	98	Very high	97.6	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.262	28%	0.275	S	S	.	.			trans	-58.3	151.3	176.2	-63.6	15.4	0	0	0	113	H42 D46 S47 D71 L72 G76 A77	H42-D74 IonicContact NE2-OD1 2.73Å; H42-D74 PolarHBondContact NE2-OD1 3.39Å; D46-D74 WeakPolarHBondContact O-CA 3.4Å; S47-D74 WeakPolarHBondContact CB-OD2 2.9Å; D71-D74 WeakPolarHBondContact CA-OD1 3.4Å; L72-D74 PolarHBondContact N-OD1 3.37Å; L72-D74 PolarHBondContact O-N 2.89Å; D74-G76 PolarHBondContact O-N 2.99Å; D74-A77 WeakPolarHBondContact O-CB 3.37Å; D74-A77 PolarHBondContact O-N 3.2Å
75	R	96.3	Very high	97.8	Very high	101 Å²	101	44.7 Å²	44.7	38%	0.381	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	52.8	-126.7	171.5	-51.6	-52	178.6	-162	-8.4	110.4	F45 D46 S47 D50 A77 S78	F45-R75 WeakPolarHBondContact CD1-O 3.37Å; F45-R75 WeakPolarHBondContact O-CD 3.17Å; F45-R75 PolarHBondContact O-NH1 2.89Å; D46-R75 PolarHBondContact O-N 3.27Å; S47-R75 PolarHBondContact OG-NH2 3.23Å; D50-R75 IonicContact OD1-NH1 3.16Å; D50-R75 IonicContact OD1-NH2 2.83Å; D50-R75 IonicContact OD2-CZ 3.92Å; D50-R75 VanDerWaalsContact OD2-CZ 3.26Å; D50-R75 IonicContact OD2-NH1 2.95Å; D50-R75 PolarHBondContact OD2-NH1 3.18Å; D50-R75 IonicContact OD2-NH2 3.88Å; D50-R75 PolarHBondContact OD2-NH2 3.24Å; R75-A77 PolarHBondContact O-N 2.95Å; R75-S78 WeakPolarHBondContact O-CB 3.44Å; R75-S78 PolarHBondContact O-N 2.77Å; R75-S78 PolarHBondContact O-OG 3.32Å
76	G	95.8	Very high	98	Very high	47 Å²	47	44 Å²	44	49%	0.485	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62	-23.4	-178.4	0	0	0	0	0	114.5	D74 S78 L79	D74-G76 PolarHBondContact O-N 2.99Å; G76-S78 PolarHBondContact O-N 2.93Å; G76-L79 WeakPolarHBondContact O-CB 3.41Å; G76-L79 PolarHBondContact O-N 2.92Å; G76-L79 VanDerWaalsContact O-N 3.16Å
77	A	98.1	Very high	98	Very high	43 Å²	43	43.9 Å²	43.9	36%	0.355	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-70	-16.1	179.1	0	0	0	0	0	112.8	F73 D74 R75 L79 E80	F73-A77 HydrophobicContact CB-CB 4.37Å; F73-A77 CarbonylContact O-C 3.56Å; D74-A77 WeakPolarHBondContact O-CB 3.37Å; D74-A77 PolarHBondContact O-N 3.2Å; R75-A77 PolarHBondContact O-N 2.95Å; A77-L79 PolarHBondContact O-N 2.93Å; A77-L79 VanDerWaalsContact O-N 3.12Å; A77-E80 WeakPolarHBondContact O-CB 3.36Å; A77-E80 WeakPolarHBondContact O-CG 3.37Å; A77-E80 PolarHBondContact O-N 2.89Å
78	S	98.1	Very high	98.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66.2	-8.8	171.9	64.2	0	0	0	0	113	F45 F73 R75 G76 E80 Q85 Q111 S173	F45-S78 PolarHBondContact N-OG 3.03Å; F73-S78 VanDerWaalsContact O-CA 3.23Å; F73-S78 WeakPolarHBondContact O-CA 3.16Å; F73-S78 VanDerWaalsContact O-CB 3.29Å; F73-S78 WeakPolarHBondContact O-CB 3.49Å; F73-S78 PolarHBondContact O-N 3Å; R75-S78 WeakPolarHBondContact O-CB 3.44Å; R75-S78 PolarHBondContact O-N 2.77Å; R75-S78 PolarHBondContact O-OG 3.32Å; G76-S78 PolarHBondContact O-N 2.93Å; S78-E80 VanDerWaalsContact C-N 3.33Å; S78-Q85 PolarHBondContact O-NE2 2.85Å; S78-Q111 PolarHBondContact O-OE1 3.06Å; S78-S173 WeakPolarHBondContact O-CB 3.32Å; S78-S173 PolarHBondContact O-OG 2.85Å
79	L	97.5	Very high	98.1	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.236	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-83.6	-8.4	172.1	-63.7	176.1	0	0	0	113.5	L44 F45 G76 A77 L151 V172 S173 I174	L44-L79 HydrophobicContact CD2-CD2 3.77Å; F45-L79 HydrophobicContact CE1-CD1 3.91Å; F45-L79 HydrophobicContact CE1-CG 4.13Å; F45-L79 HydrophobicContact CZ-CD1 3.85Å; F45-L79 HydrophobicContact CZ-CD2 4.19Å; F45-L79 HydrophobicContact CZ-CG 4.15Å; G76-L79 WeakPolarHBondContact O-CB 3.41Å; G76-L79 PolarHBondContact O-N 2.92Å; G76-L79 VanDerWaalsContact O-N 3.16Å; A77-L79 PolarHBondContact O-N 2.93Å; A77-L79 VanDerWaalsContact O-N 3.12Å; L79-L151 HydrophobicContact CD1-CD2 4.02Å; L79-L151 HydrophobicContact CD2-CD1 4.31Å; L79-L151 HydrophobicContact CD2-CD2 4.33Å; L79-V172 WeakPolarHBondContact O-CA 3.49Å; L79-S173 WeakPolarHBondContact CA-OG 3.47Å; L79-S173 PolarHBondContact O-N 3.14Å; L79-I174 HydrophobicContact CD2-CD1 3.95Å; L79-I174 HydrophobicContact CD2-CG1 4.47Å
80	E	98.4	Very high	98.1	Very high	74 Å²	74	43 Å²	43	35%	0.346	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-61.8	148.6	173.1	-70.2	-82	-164.5	0	0	111.3	F73 A77 S78 K84 Q85 S173	F73-E80 HydrophobicContact CD1-CB 4.04Å; F73-E80 HydrophobicContact CD1-CG 4.25Å; F73-E80 HydrophobicContact CE1-CB 4.26Å; A77-E80 WeakPolarHBondContact O-CB 3.36Å; A77-E80 WeakPolarHBondContact O-CG 3.37Å; A77-E80 PolarHBondContact O-N 2.89Å; S78-E80 VanDerWaalsContact C-N 3.33Å; E80-K84 HydrophobicContact CB-CD 4.33Å; E80-K84 IonicContact OE1-NZ 3.79Å; E80-K84 PolarHBondContact OE1-NZ 2.96Å; E80-K84 WeakPolarHBondContact OE2-CD 3.46Å; E80-K84 IonicContact OE2-NZ 3.83Å; E80-K84 PolarHBondContact OE2-NZ 3.07Å; E80-Q85 PolarHBondContact O-NE2 2.84Å; E80-S173 VanDerWaalsContact O-CB 3.29Å; E80-S173 WeakPolarHBondContact O-CB 3.28Å
81	S	98.4	Very high	98.1	Very high	30 Å²	30	45.7 Å²	45.7	21%	0.21	25%	0.252	C	S	.	.			trans	-52	143.5	-174.5	71.6	0	0	0	0	113.4	W83 K84 Q85 R171 N176	S81-W83 VanDerWaalsContact C-N 3.26Å; S81-W83 PolarHBondContact O-N 3.2Å; S81-K84 WeakPolarHBondContact O-CB 3.39Å; S81-K84 PolarHBondContact O-N 3.1Å; S81-Q85 PolarHBondContact O-N 2.85Å; S81-Q85 VanDerWaalsContact O-N 3.08Å; S81-R171 PolarHBondContact N-O 2.97Å; S81-N176 WeakPolarHBondContact CA-OD1 3.13Å
82	M	98.8	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-36.6	-173.8	-70.3	-64.3	-68.5	0	0	112.6	Q85 V86 Q111 L114 V115 N176 Y177 Y193	M82-Q85 PolarHBondContact O-N 2.79Å; M82-V86 WeakPolarHBondContact O-CG2 3.47Å; M82-V86 PolarHBondContact O-N 2.87Å; M82-Q111 HydrophobicContact CE-CG 3.89Å; M82-Q111 HydrophobicContact SD-CG 3.58Å; M82-Q111 VanDerWaalsContact SD-CG 3.58Å; M82-L114 HydrophobicContact CE-CB 3.42Å; M82-L114 VanDerWaalsContact CE-CB 3.42Å; M82-L114 HydrophobicContact CE-CD1 4.32Å; M82-V115 HydrophobicContact CE-CG2 3.58Å; M82-V115 HydrophobicContact SD-CG2 4.3Å; M82-N176 HydrophobicContact CB-CB 4.04Å; M82-N176 HydrophobicContact CG-CB 3.58Å; M82-N176 PolarHBondContact N-OD1 2.73Å; M82-Y177 HydrophobicContact CE-CD1 4.47Å; M82-Y177 HydrophobicContact CG-CD1 4.15Å; M82-Y177 HydrophobicContact CG-CE1 4.46Å; M82-Y177 HydrophobicContact SD-CD1 4.15Å; M82-Y177 HydrophobicContact SD-CE1 4.01Å; M82-Y193 HydrophobicContact CB-CD1 3.83Å; M82-Y193 HydrophobicContact CB-CD2 3.38Å; M82-Y193 HydrophobicContact CB-CE1 4.01Å; M82-Y193 HydrophobicContact CB-CE2 3.6Å; M82-Y193 HydrophobicContact CB-CG 3.5Å; M82-Y193 HydrophobicContact CE-CD1 4.4Å; M82-Y193 HydrophobicContact CE-CE1 3.79Å; M82-Y193 HydrophobicContact CG-CD1 4.1Å; M82-Y193 HydrophobicContact CG-CD2 4.48Å; M82-Y193 HydrophobicContact CG-CE1 4.35Å; M82-Y193 HydrophobicContact CG-CG 4.17Å
83	W	98.5	Very high	98.3	Very high	61 Å²	61	40.5 Å²	40.5	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-35.1	175.5	-76.2	122.6	0	0	0	113.3	S81 Q85 V86 E87 I122 D192 Y193 L196 I197 W209	S81-W83 VanDerWaalsContact C-N 3.26Å; S81-W83 PolarHBondContact O-N 3.2Å; W83-Q85 VanDerWaalsContact C-N 3.33Å; W83-V86 HydrophobicContact CE3-CB 4.13Å; W83-V86 HydrophobicContact CE3-CG1 4.1Å; W83-V86 HydrophobicContact CE3-CG2 4.37Å; W83-V86 HydrophobicContact CZ3-CG1 4.1Å; W83-V86 PolarHBondContact O-N 3.4Å; W83-E87 WeakPolarHBondContact O-CG 3.26Å; W83-E87 PolarHBondContact O-N 3.32Å; W83-I122 HydrophobicContact CH2-CG2 4.15Å; W83-I122 HydrophobicContact CZ3-CD1 4.44Å; W83-I122 HydrophobicContact CZ3-CG2 3.9Å; W83-D192 PolarHBondContact NE1-O 3.38Å; W83-Y193 AromaticContact CD1-CD2 3.88Å; W83-Y193 AromaticContact CD2-CD2 3.65Å; W83-Y193 HydrophobicContact CD2-CD2 3.65Å; W83-Y193 AromaticContact CD2-CE2 3.87Å; W83-Y193 HydrophobicContact CD2-CE2 3.87Å; W83-Y193 AromaticContact CE2-CD2 3.45Å; W83-Y193 VanDerWaalsContact CE2-CD2 3.45Å; W83-Y193 AromaticContact CE2-CE2 3.95Å; W83-Y193 HydrophobicContact CE3-CD2 4.23Å; W83-Y193 AromaticContact CE3-CE2 3.97Å; W83-Y193 HydrophobicContact CE3-CE2 3.97Å; W83-Y193 AromaticContact CG-CD2 3.9Å; W83-Y193 HydrophobicContact CG-CD2 3.9Å; W83-Y193 HydrophobicContact CG-CE2 4.41Å; W83-Y193 HydrophobicContact CH2-CD2 4.41Å; W83-Y193 HydrophobicContact CH2-CE2 4.2Å; W83-Y193 AromaticContact CZ2-CD2 3.85Å; W83-Y193 HydrophobicContact CZ2-CD2 3.85Å; W83-Y193 HydrophobicContact CZ2-CE2 4.11Å; W83-Y193 HydrophobicContact CZ3-CE2 4.14Å; W83-Y193 AromaticContact NE1-CD2 3.62Å; W83-L196 HydrophobicContact CZ2-CD2 3.9Å; W83-I197 HydrophobicContact CH2-CG2 3.56Å; W83-I197 HydrophobicContact CZ2-CG2 3.66Å; W83-W209 AromaticContact CH2-CH2 3.62Å; W83-W209 HydrophobicContact CH2-CH2 3.62Å; W83-W209 HydrophobicContact CH2-CZ2 4.25Å; W83-W209 HydrophobicContact CH2-CZ3 4.08Å; W83-W209 AromaticContact CZ2-CH2 3.83Å; W83-W209 HydrophobicContact CZ2-CH2 3.83Å; W83-W209 HydrophobicContact CZ2-CZ3 4.3Å
84	K	98.8	Very high	98.3	Very high	99 Å²	99	42.9 Å²	42.9	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-39.8	174.1	-176.5	174.4	168.9	-173.5	0	110.8	F73 E80 S81 G88	F73-K84 HydrophobicContact CE1-CG 4.05Å; F73-K84 HydrophobicContact CZ-CG 4.23Å; F73-K84 WeakPolarHBondContact CZ-O 3.12Å; E80-K84 HydrophobicContact CB-CD 4.33Å; E80-K84 IonicContact OE1-NZ 3.79Å; E80-K84 PolarHBondContact OE1-NZ 2.96Å; E80-K84 WeakPolarHBondContact OE2-CD 3.46Å; E80-K84 IonicContact OE2-NZ 3.83Å; E80-K84 PolarHBondContact OE2-NZ 3.07Å; S81-K84 WeakPolarHBondContact O-CB 3.39Å; S81-K84 PolarHBondContact O-N 3.1Å; K84-G88 PolarHBondContact O-N 2.9Å
85	Q	98.8	Very high	98.3	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-48.8	173.3	-63.2	-170.4	46.4	0	0	111.8	F73 S78 E80 S81 M82 W83 E87 G88 F89 V115	F73-Q85 HydrophobicContact CB-CG 4.28Å; F73-Q85 HydrophobicContact CD1-CG 3.92Å; F73-Q85 HydrophobicContact CD2-CB 4.24Å; F73-Q85 HydrophobicContact CD2-CG 4.04Å; F73-Q85 HydrophobicContact CE1-CG 4.24Å; F73-Q85 HydrophobicContact CE2-CB 4.3Å; F73-Q85 HydrophobicContact CE2-CG 4.36Å; F73-Q85 HydrophobicContact CG-CG 3.81Å; F73-Q85 HydrophobicContact CZ-CG 4.45Å; S78-Q85 PolarHBondContact O-NE2 2.85Å; E80-Q85 PolarHBondContact O-NE2 2.84Å; S81-Q85 PolarHBondContact O-N 2.85Å; S81-Q85 VanDerWaalsContact O-N 3.08Å; M82-Q85 PolarHBondContact O-N 2.79Å; W83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-E87 VanDerWaalsContact C-N 3.32Å; Q85-E87 PolarHBondContact O-N 3.32Å; Q85-G88 PolarHBondContact O-N 2.03Å; Q85-F89 HydrophobicContact CB-CD2 4.25Å; Q85-F89 HydrophobicContact CB-CE2 4.44Å; Q85-F89 WeakPolarHBondContact O-CB 3.49Å; Q85-F89 VanDerWaalsContact O-CD2 3.32Å; Q85-F89 WeakPolarHBondContact O-CD2 3.36Å; Q85-F89 PolarHBondContact O-N 3.26Å; Q85-V115 HydrophobicContact CB-CG1 4.42Å; Q85-V115 HydrophobicContact CB-CG2 4.05Å
86	V	98.9	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-53.6	-48.5	177.2	166	0	0	0	0	111.3	M82 W83 K90 V115 I119 I122 Y193	M82-V86 WeakPolarHBondContact O-CG2 3.47Å; M82-V86 PolarHBondContact O-N 2.87Å; W83-V86 HydrophobicContact CE3-CB 4.13Å; W83-V86 HydrophobicContact CE3-CG1 4.1Å; W83-V86 HydrophobicContact CE3-CG2 4.37Å; W83-V86 HydrophobicContact CZ3-CG1 4.1Å; W83-V86 PolarHBondContact O-N 3.4Å; V86-K90 WeakPolarHBondContact O-CB 3.07Å; V86-K90 PolarHBondContact O-N 2.74Å; V86-V115 HydrophobicContact CG2-CG1 4.18Å; V86-I119 HydrophobicContact CG1-CG1 3.96Å; V86-I122 HydrophobicContact CG1-CD1 3.52Å; V86-I122 HydrophobicContact CG1-CG1 4.26Å; V86-Y193 HydrophobicContact CG2-CE2 3.76Å; V86-Y193 WeakPolarHBondContact CG2-OH 3.48Å
87	E	98.8	Very high	98.4	Very high	90 Å²	90	38.5 Å²	38.5	42%	0.421	21%	0.214	S	C	.	.	H	α-helix	trans	-64.5	-42.9	179.2	-72.2	-59.7	131.7	0	0	112.6	W83 Q85 K90 A91 I122	W83-E87 WeakPolarHBondContact O-CG 3.26Å; W83-E87 PolarHBondContact O-N 3.32Å; Q85-E87 VanDerWaalsContact C-N 3.32Å; Q85-E87 PolarHBondContact O-N 3.32Å; E87-K90 IonicContact OE1-NZ 3.74Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 VanDerWaalsContact OE2-CE 3.24Å; E87-K90 WeakPolarHBondContact OE2-CE 3.35Å; E87-K90 IonicContact OE2-NZ 2.78Å; E87-K90 PolarHBondContact OE2-NZ 2.78Å; E87-A91 WeakPolarHBondContact O-CB 3.03Å; E87-A91 PolarHBondContact O-N 3.28Å; E87-I122 WeakPolarHBondContact OE1-CD1 3.34Å
88	G	98.8	Very high	98.4	Very high	21 Å²	21	41.1 Å²	41.1	22%	0.216	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-50	179.1	0	0	0	0	0	113	L72 K84 Q85 A91 A92	L72-G88 WeakPolarHBondContact CD1-O 3.25Å; K84-G88 PolarHBondContact O-N 2.9Å; Q85-G88 PolarHBondContact O-N 2.03Å; G88-A91 PolarHBondContact O-N 3.41Å; G88-A92 PolarHBondContact O-N 3.14Å; G88-A92 VanDerWaalsContact O-N 3.15Å
89	F	98.8	Very high	98.3	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-41.5	176.2	-81	-74.1	0	0	0	111.5	V41 I70 L72 F73 Q85 A91 A92 I93 V115 I119	V41-F89 HydrophobicContact CG1-CD1 4.12Å; V41-F89 HydrophobicContact CG1-CD2 4.35Å; V41-F89 HydrophobicContact CG1-CE1 3.86Å; V41-F89 HydrophobicContact CG1-CE2 4.08Å; V41-F89 HydrophobicContact CG1-CG 4.36Å; V41-F89 HydrophobicContact CG1-CZ 3.83Å; V41-F89 HydrophobicContact CG2-CD1 4.12Å; V41-F89 HydrophobicContact CG2-CE1 4.35Å; I70-F89 HydrophobicContact CB-CD1 3.86Å; I70-F89 HydrophobicContact CB-CE1 3.73Å; I70-F89 HydrophobicContact CG2-CD1 3.52Å; I70-F89 HydrophobicContact CG2-CE1 3.6Å; L72-F89 HydrophobicContact CB-CD1 4.36Å; L72-F89 HydrophobicContact CB-CE1 3.98Å; L72-F89 HydrophobicContact CB-CZ 4.09Å; L72-F89 WeakPolarHBondContact O-CZ 3.5Å; F73-F89 HydrophobicContact CB-CE2 4.44Å; F73-F89 AromaticContact CD2-CD2 3.92Å; F73-F89 HydrophobicContact CD2-CD2 3.92Å; F73-F89 AromaticContact CD2-CE2 3.62Å; F73-F89 HydrophobicContact CD2-CE2 3.62Å; F73-F89 HydrophobicContact CD2-CZ 4.31Å; F73-F89 HydrophobicContact CE2-CD2 4.26Å; F73-F89 HydrophobicContact CE2-CE2 4.41Å; F73-F89 HydrophobicContact CG-CE2 4.46Å; Q85-F89 HydrophobicContact CB-CD2 4.25Å; Q85-F89 HydrophobicContact CB-CE2 4.44Å; Q85-F89 WeakPolarHBondContact O-CB 3.49Å; Q85-F89 VanDerWaalsContact O-CD2 3.32Å; Q85-F89 WeakPolarHBondContact O-CD2 3.36Å; Q85-F89 PolarHBondContact O-N 3.26Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 2.92Å; F89-A92 PolarHBondContact O-N 2.7Å; F89-I93 HydrophobicContact CB-CD1 4.2Å; F89-I93 WeakPolarHBondContact O-CB 3.5Å; F89-I93 WeakPolarHBondContact O-CG1 3.44Å; F89-I93 PolarHBondContact O-N 3.17Å; F89-V115 HydrophobicContact CB-CG1 4.12Å; F89-V115 HydrophobicContact CD2-CG1 3.61Å; F89-V115 HydrophobicContact CE2-CG1 4.33Å; F89-V115 HydrophobicContact CG-CG1 4.12Å; F89-I119 HydrophobicContact CB-CD1 3.7Å
90	K	98.8	Very high	98.2	Very high	45 Å²	45	46 Å²	46	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-54.6	-48	174	-178.2	-176.1	72.3	-172.1	0	111.1	V86 E87 A92 I93 Y94 I119 I122 L123	V86-K90 WeakPolarHBondContact O-CB 3.07Å; V86-K90 PolarHBondContact O-N 2.74Å; E87-K90 IonicContact OE1-NZ 3.74Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 VanDerWaalsContact OE2-CE 3.24Å; E87-K90 WeakPolarHBondContact OE2-CE 3.35Å; E87-K90 IonicContact OE2-NZ 2.78Å; E87-K90 PolarHBondContact OE2-NZ 2.78Å; K90-A92 VanDerWaalsContact C-N 3.33Å; K90-A92 PolarHBondContact O-N 2.6Å; K90-I93 PolarHBondContact O-N 2.77Å; K90-Y94 VanDerWaalsContact O-CB 3.23Å; K90-Y94 WeakPolarHBondContact O-CB 3.48Å; K90-Y94 PolarHBondContact O-N 3.25Å; K90-I119 HydrophobicContact CB-CD1 4.48Å; K90-I119 HydrophobicContact CB-CG1 4.18Å; K90-I119 HydrophobicContact CB-CG2 4.33Å; K90-I119 HydrophobicContact CG-CG2 4.36Å; K90-I122 HydrophobicContact CD-CD1 4.06Å; K90-I122 HydrophobicContact CD-CG1 4.26Å; K90-L123 HydrophobicContact CD-CD1 4.29Å; K90-L123 HydrophobicContact CG-CD1 4.41Å; K90-L123 HydrophobicContact CG-CD2 4.42Å
91	A	98.7	Very high	98	Very high	68 Å²	68	47.3 Å²	47.3	56%	0.562	27%	0.27	S	S	*	.	H	α-helix	trans	-62.5	-37.8	-179.5	0	0	0	0	0	112.9	E87 G88 F89 P95	E87-A91 WeakPolarHBondContact O-CB 3.03Å; E87-A91 PolarHBondContact O-N 3.28Å; G88-A91 PolarHBondContact O-N 3.41Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 2.92Å; A91-P95 VanDerWaalsContact O-CD 3.28Å; A91-P95 WeakPolarHBondContact O-CD 3.48Å
92	A	98.6	Very high	97.8	Very high	37 Å²	37	52.1 Å²	52.1	31%	0.306	29%	0.293	S	S	.	.	H	α-helix	trans	-75.7	-35.9	177.5	0	0	0	0	0	113.4	I70 L72 G88 F89 K90	I70-A92 HydrophobicContact CG2-CB 4.05Å; L72-A92 HydrophobicContact CD1-CB 3.62Å; G88-A92 PolarHBondContact O-N 3.14Å; G88-A92 VanDerWaalsContact O-N 3.15Å; F89-A92 PolarHBondContact O-N 2.7Å; K90-A92 VanDerWaalsContact C-N 3.33Å; K90-A92 PolarHBondContact O-N 2.6Å
93	I	98.6	Very high	97.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-78.8	-35.3	-176.5	-71.4	172.3	0	0	0	111.5	I39 V41 I70 F89 K90 I96 M97 F106 I119	I39-I93 HydrophobicContact CD1-CG1 4.49Å; I39-I93 HydrophobicContact CD1-CG2 3.72Å; I39-I93 HydrophobicContact CG2-CD1 3.85Å; I39-I93 HydrophobicContact CG2-CG1 3.85Å; V41-I93 HydrophobicContact CG2-CD1 3.99Å; I70-I93 HydrophobicContact CD1-CG1 4.14Å; I70-I93 HydrophobicContact CG1-CD1 4.41Å; I70-I93 HydrophobicContact CG1-CG1 3.99Å; F89-I93 HydrophobicContact CB-CD1 4.2Å; F89-I93 WeakPolarHBondContact O-CB 3.5Å; F89-I93 WeakPolarHBondContact O-CG1 3.44Å; F89-I93 PolarHBondContact O-N 3.17Å; K90-I93 PolarHBondContact O-N 2.77Å; I93-I96 WeakPolarHBondContact O-CB 3.42Å; I93-I96 PolarHBondContact O-N 3.35Å; I93-M97 HydrophobicContact CG2-CG 3.73Å; I93-M97 HydrophobicContact CG2-SD 3.52Å; I93-M97 VanDerWaalsContact CG2-SD 3.52Å; I93-M97 WeakPolarHBondContact O-CG 3.47Å; I93-M97 PolarHBondContact O-N 3.48Å; I93-M97 VanDerWaalsContact O-N 3.11Å; I93-F106 HydrophobicContact CD1-CZ 4.39Å; I93-F106 HydrophobicContact CG2-CE1 3.92Å; I93-F106 HydrophobicContact CG2-CZ 3.73Å; I93-I119 HydrophobicContact CD1-CD1 4.09Å
94	Y	98.4	Very high	97.7	Very high	85 Å²	85	49.4 Å²	49.4	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-52.7	-47.7	-173.5	-174.8	-100.9	0	0	0	113.8	K90 I96 M97 Q98 L123 D125	K90-Y94 VanDerWaalsContact O-CB 3.23Å; K90-Y94 WeakPolarHBondContact O-CB 3.48Å; K90-Y94 PolarHBondContact O-N 3.25Å; Y94-I96 VanDerWaalsContact C-N 3.29Å; Y94-I96 PolarHBondContact O-N 2.83Å; Y94-M97 WeakPolarHBondContact O-CB 3.38Å; Y94-M97 PolarHBondContact O-N 3.23Å; Y94-Q98 HydrophobicContact CD1-CG 4.04Å; Y94-Q98 HydrophobicContact CE1-CG 3.68Å; Y94-Q98 HydrophobicContact CE2-CG 4.28Å; Y94-Q98 HydrophobicContact CG-CG 4.49Å; Y94-Q98 WeakPolarHBondContact O-CG 3.33Å; Y94-Q98 PolarHBondContact O-N 3.13Å; Y94-Q98 PolarHBondContact OH-NE2 3.34Å; Y94-L123 HydrophobicContact CD2-CD1 3.86Å; Y94-L123 HydrophobicContact CD2-CD2 4.06Å; Y94-L123 HydrophobicContact CE2-CD1 3.96Å; Y94-D125 WeakPolarHBondContact CE2-OD1 3.37Å; Y94-D125 VanDerWaalsContact CE2-OD2 3.24Å; Y94-D125 WeakPolarHBondContact CE2-OD2 3.39Å; Y94-D125 PolarHBondContact OH-OD2 2.98Å
95	P	98.3	Very high	97.7	Very high	67 Å²	67	44.7 Å²	44.7	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-32.2	176.7	-22.5	34.5	0	0	0	114.1	A91 M97 N99	A91-P95 VanDerWaalsContact O-CD 3.28Å; A91-P95 WeakPolarHBondContact O-CD 3.48Å; P95-M97 VanDerWaalsContact C-N 3.35Å; P95-N99 PolarHBondContact O-N 2.74Å; P95-N99 PolarHBondContact O-ND2 3.49Å
96	I	97.9	Very high	97.7	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-44.3	177.2	-53.8	172	0	0	0	109.3	I39 T68 I70 I93 Y94 N99 A100	I39-I96 HydrophobicContact CD1-CB 3.9Å; I39-I96 HydrophobicContact CD1-CD1 4.1Å; I39-I96 HydrophobicContact CD1-CG2 3.69Å; I39-I96 HydrophobicContact CG1-CG2 4.2Å; T68-I96 HydrophobicContact CG2-CD1 3.98Å; I70-I96 HydrophobicContact CD1-CD1 3.76Å; I93-I96 WeakPolarHBondContact O-CB 3.42Å; I93-I96 PolarHBondContact O-N 3.35Å; Y94-I96 VanDerWaalsContact C-N 3.29Å; Y94-I96 PolarHBondContact O-N 2.83Å; I96-N99 PolarHBondContact O-N 3.32Å; I96-A100 PolarHBondContact O-N 3.17Å
97	M	97.3	Very high	97.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-44.3	177.9	-63.5	-173.6	68.8	0	0	112.1	I39 I93 Y94 P95 N99 A100 V104 F106 L123 H126 N127 V128	I39-M97 HydrophobicContact CD1-CG 4.47Å; I93-M97 HydrophobicContact CG2-CG 3.73Å; I93-M97 HydrophobicContact CG2-SD 3.52Å; I93-M97 VanDerWaalsContact CG2-SD 3.52Å; I93-M97 WeakPolarHBondContact O-CG 3.47Å; I93-M97 PolarHBondContact O-N 3.48Å; I93-M97 VanDerWaalsContact O-N 3.11Å; Y94-M97 WeakPolarHBondContact O-CB 3.38Å; Y94-M97 PolarHBondContact O-N 3.23Å; P95-M97 VanDerWaalsContact C-N 3.35Å; M97-N99 PolarHBondContact O-N 2.95Å; M97-A100 PolarHBondContact O-N 3.09Å; M97-A100 VanDerWaalsContact O-N 3.08Å; M97-V104 HydrophobicContact CE-CG2 4.1Å; M97-V104 HydrophobicContact CG-CG1 4.48Å; M97-V104 HydrophobicContact CG-CG2 3.92Å; M97-V104 HydrophobicContact SD-CG2 4.5Å; M97-F106 HydrophobicContact SD-CE1 4.28Å; M97-F106 HydrophobicContact SD-CZ 4.04Å; M97-L123 HydrophobicContact SD-CD2 4.27Å; M97-H126 HydrophobicContact CE-CB 3.63Å; M97-N127 WeakPolarHBondContact CB-OD1 3.26Å; M97-N127 WeakPolarHBondContact CE-OD1 3.44Å; M97-N127 PolarHBondContact O-ND2 2.97Å; M97-V128 HydrophobicContact CE-CG2 3.5Å; M97-V128 VanDerWaalsContact CE-CG2 3.5Å; M97-V128 HydrophobicContact SD-CG2 4.34Å
98	Q	96.8	Very high	97.7	Very high	98 Å²	98	40.2 Å²	40.2	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-27.3	178.5	-66.9	-57.8	-48.7	0	0	113	Y94 D125	Y94-Q98 HydrophobicContact CD1-CG 4.04Å; Y94-Q98 HydrophobicContact CE1-CG 3.68Å; Y94-Q98 HydrophobicContact CE2-CG 4.28Å; Y94-Q98 HydrophobicContact CG-CG 4.49Å; Y94-Q98 WeakPolarHBondContact O-CG 3.33Å; Y94-Q98 PolarHBondContact O-N 3.13Å; Y94-Q98 PolarHBondContact OH-NE2 3.34Å; Q98-D125 PolarHBondContact NE2-OD2 3.32Å
99	N	96.6	Very high	97.8	Very high	142 Å²	142	39.5 Å²	39.5	76%	0.759	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.1	176.2	-70.9	-37.7	0	0	0	113.6	P95 I96 M97	P95-N99 PolarHBondContact O-N 2.74Å; P95-N99 PolarHBondContact O-ND2 3.49Å; I96-N99 PolarHBondContact O-N 3.32Å; M97-N99 PolarHBondContact O-N 2.95Å
100	A	96.3	Very high	97.8	Very high	8 Å²	8	39.9 Å²	39.9	7%	0.066	24%	0.236	C	C	.	.			trans	-104.5	87.1	-178.7	0	0	0	0	0	110.4	P37 I96 M97 D102 G103 V104 N127	P37-A100 HydrophobicContact CG-CB 4.01Å; I96-A100 PolarHBondContact O-N 3.17Å; M97-A100 PolarHBondContact O-N 3.09Å; M97-A100 VanDerWaalsContact O-N 3.08Å; A100-D102 PolarHBondContact O-N 3.4Å; A100-G103 PolarHBondContact O-N 3.29Å; A100-V104 HydrophobicContact CB-CG1 3.52Å; A100-N127 PolarHBondContact O-ND2 2.81Å
101	A	92.8	Very high	97.8	Very high	101 Å²	101	37.8 Å²	37.8	84%	0.835	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-37	-175.9	0	0	0	0	0	113.4	G103	A101-G103 VanDerWaalsContact C-N 3.31Å
102	D	94.5	Very high	97.8	Very high	131 Å²	131	34.5 Å²	34.5	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	5.5	179.8	-60.6	-51.3	0	0	0	113.5	K36 A100	K36-D102 WeakPolarHBondContact CD-O 3.45Å; K36-D102 WeakPolarHBondContact CE-O 3.31Å; K36-D102 PolarHBondContact NZ-O 3.08Å; A100-D102 PolarHBondContact O-N 3.4Å
103	G	97.3	Very high	97.8	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	19%	0.186	C	C	.	.			trans	88.6	179.6	-177.6	0	0	0	0	0	114.5	K36 A100 A101 N127	K36-G103 WeakPolarHBondContact CB-O 3.31Å; A100-G103 PolarHBondContact O-N 3.29Å; A101-G103 VanDerWaalsContact C-N 3.31Å; G103-N127 WeakPolarHBondContact CA-O 3.48Å
104	V	98.7	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.1	-178.1	-58	0	0	0	0	111.4	P37 I39 M97 A100 F106 N127 V128 H129	P37-V104 HydrophobicContact CB-CG1 4.07Å; P37-V104 HydrophobicContact CG-CG1 4.31Å; P37-V104 CarbonylContact O-C 3.31Å; P37-V104 WeakPolarHBondContact O-CA 3.32Å; P37-V104 WeakPolarHBondContact O-CB 3.5Å; I39-V104 HydrophobicContact CD1-CB 4.41Å; I39-V104 HydrophobicContact CD1-CG1 4.41Å; I39-V104 HydrophobicContact CD1-CG2 4.21Å; M97-V104 HydrophobicContact CE-CG2 4.1Å; M97-V104 HydrophobicContact CG-CG1 4.48Å; M97-V104 HydrophobicContact CG-CG2 3.92Å; M97-V104 HydrophobicContact SD-CG2 4.5Å; A100-V104 HydrophobicContact CB-CG1 3.52Å; V104-F106 HydrophobicContact CG2-CD1 4.1Å; V104-F106 HydrophobicContact CG2-CE1 3.79Å; V104-N127 PolarHBondContact N-O 3.44Å; V104-V128 HydrophobicContact CG2-CG2 4.04Å; V104-V128 CarbonylContact O-C 3.57Å; V104-V128 WeakPolarHBondContact O-CA 3.38Å; V104-H129 PolarHBondContact O-N 2.65Å
105	H	98.9	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.2	165.6	-55.3	-66.5	0	0	0	110.8	P37 V38 I39 H129 S130 W299 L300 V301	P37-H105 PolarHBondContact O-N 3.38Å; V38-H105 HydrophobicContact CG2-CB 4.32Å; I39-H105 PolarHBondContact N-O 2.7Å; H105-H129 AromaticContact CE1-CG 4Å; H105-H129 AromaticContact CE1-ND1 3.65Å; H105-H129 AromaticContact ND1-ND1 3.97Å; H105-S130 WeakPolarHBondContact CA-O 3.39Å; H105-S130 PolarHBondContact CE1-OG 3.37Å; H105-S130 VanDerWaalsContact ND1-CB 3.26Å; H105-S130 WeakPolarHBondContact ND1-CB 3.44Å; H105-S130 PolarHBondContact ND1-N 3.45Å; H105-S130 PolarHBondContact ND1-OG 3.38Å; H105-S130 VanDerWaalsContact ND1-OG 3.09Å; H105-W299 PolarHBondContact CE1-O 3.13Å; H105-W299 PolarHBondContact ND1-O 3.11Å; H105-L300 HydrophobicContact CB-CD2 3.82Å; H105-V301 PolarHBondContact CE1-O 3.31Å; H105-V301 PolarHBondContact NE2-O 2.96Å
106	F	98.9	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.3	171.6	-82.1	15.5	0	0	0	109.3	I39 I93 M97 V104 C116 L120 V128 S130 F131 I132	I39-F106 HydrophobicContact CB-CD1 4Å; I39-F106 HydrophobicContact CB-CE1 4.18Å; I39-F106 HydrophobicContact CD1-CE1 4.04Å; I39-F106 HydrophobicContact CG2-CE1 4.45Å; I39-F106 CarbonylContact O-C 3.29Å; I39-F106 WeakPolarHBondContact O-CA 3.44Å; I93-F106 HydrophobicContact CD1-CZ 4.39Å; I93-F106 HydrophobicContact CG2-CE1 3.92Å; I93-F106 HydrophobicContact CG2-CZ 3.73Å; M97-F106 HydrophobicContact SD-CE1 4.28Å; M97-F106 HydrophobicContact SD-CZ 4.04Å; V104-F106 HydrophobicContact CG2-CD1 4.1Å; V104-F106 HydrophobicContact CG2-CE1 3.79Å; F106-C116 HydrophobicContact CD2-CB 3.97Å; F106-C116 HydrophobicContact CE2-CB 4.47Å; F106-L120 HydrophobicContact CD2-CD1 4.34Å; F106-L120 HydrophobicContact CD2-CD2 4.42Å; F106-L120 HydrophobicContact CD2-CG 4.42Å; F106-L120 HydrophobicContact CE2-CD2 4.09Å; F106-L120 HydrophobicContact CE2-CG 4.23Å; F106-V128 HydrophobicContact CB-CG1 4.16Å; F106-V128 HydrophobicContact CD1-CG1 4.13Å; F106-V128 HydrophobicContact CD1-CG2 3.84Å; F106-V128 HydrophobicContact CD2-CG1 4.31Å; F106-V128 HydrophobicContact CD2-CG2 4.08Å; F106-V128 HydrophobicContact CE1-CG2 3.5Å; F106-V128 VanDerWaalsContact CE1-CG2 3.5Å; F106-V128 HydrophobicContact CE2-CG2 3.78Å; F106-V128 HydrophobicContact CG-CG1 3.95Å; F106-V128 HydrophobicContact CG-CG2 4.12Å; F106-V128 HydrophobicContact CZ-CG2 3.46Å; F106-V128 VanDerWaalsContact CZ-CG2 3.46Å; F106-S130 PolarHBondContact N-O 3.35Å; F106-F131 HydrophobicContact CB-CD2 4.13Å; F106-I132 WeakPolarHBondContact O-CB 3.43Å; F106-I132 PolarHBondContact O-N 2.77Å
107	I	98.9	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.1	162.2	-50.9	177	0	0	0	107.6	V38 I39 I40 V41 L54 I58 I132 L134 I296 L300	V38-I107 HydrophobicContact CG1-CD1 3.73Å; V38-I107 HydrophobicContact CG1-CG1 3.89Å; I39-I107 PolarHBondContact O-N 2.93Å; I40-I107 VanDerWaalsContact CA-O 3.26Å; I40-I107 WeakPolarHBondContact CA-O 3.41Å; I40-I107 HydrophobicContact CG1-CB 4.27Å; V41-I107 PolarHBondContact N-O 3.45Å; L54-I107 HydrophobicContact CD2-CD1 4.14Å; L54-I107 HydrophobicContact CD2-CG2 4.08Å; I58-I107 HydrophobicContact CD1-CD1 4.03Å; I107-I132 WeakPolarHBondContact CA-O 3.48Å; I107-I132 HydrophobicContact CG1-CB 4.28Å; I107-I132 HydrophobicContact CG1-CD1 4.19Å; I107-I132 HydrophobicContact CG2-CB 4.49Å; I107-I132 HydrophobicContact CG2-CG2 4.41Å; I107-L134 HydrophobicContact CG2-CB 4.4Å; I107-L134 HydrophobicContact CG2-CD2 4.29Å; I107-I296 HydrophobicContact CD1-CG2 3.87Å; I107-L300 HydrophobicContact CD1-CD1 4.16Å; I107-L300 HydrophobicContact CD1-CD2 4.14Å; I107-L300 HydrophobicContact CG1-CD2 4.35Å
108	C	98.9	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.2	-170.6	-50.2	0	0	0	0	109.5	V41 G112 C116 F131 I132 L134	V41-C108 HydrophobicContact CB-CB 4.39Å; V41-C108 WeakPolarHBondContact O-CA 3.41Å; C108-G112 WeakPolarHBondContact CB-O 3.39Å; C108-C116 HydrophobicContact CB-CB 3.68Å; C108-C116 WeakPolarHBondContact CB-SG 3.26Å; C108-C116 WeakPolarHBondContact SG-CB 3.46Å; C108-C116 CovalentContact SG-SG 2.02Å; C108-C116 PolarHBondContact SG-SG 3.09Å; C108-F131 HydrophobicContact CB-CE2 3.99Å; C108-I132 PolarHBondContact N-O 3.47Å; C108-L134 PolarHBondContact O-N 2.84Å
109	Y	98.9	Very high	98.1	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.02	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.7	-169.8	169.7	-114.2	0	0	0	111.7	V41 G43 D46 F51 Q111 G112 L134 H282 W285 H286	V41-Y109 PolarHBondContact O-N 3.15Å; G43-Y109 WeakPolarHBondContact CA-O 3.22Å; G43-Y109 PolarHBondContact N-O 3.49Å; D46-Y109 WeakPolarHBondContact OD2-CD1 3.28Å; D46-Y109 WeakPolarHBondContact OD2-CE1 3.44Å; F51-Y109 HydrophobicContact CE1-CD1 4.41Å; F51-Y109 HydrophobicContact CE1-CG 4.35Å; F51-Y109 AromaticContact CZ-CD1 3.79Å; F51-Y109 HydrophobicContact CZ-CD1 3.79Å; F51-Y109 HydrophobicContact CZ-CG 4.14Å; Y109-Q111 PolarHBondContact O-N 2.86Å; Y109-G112 WeakPolarHBondContact O-CA 3.26Å; Y109-G112 PolarHBondContact O-N 3.28Å; Y109-L134 WeakPolarHBondContact CA-O 3.43Å; Y109-L134 HydrophobicContact CD2-CB 4.48Å; Y109-L134 HydrophobicContact CD2-CD2 4.15Å; Y109-L134 HydrophobicContact CD2-CG 4.09Å; Y109-L134 WeakPolarHBondContact CD2-O 3.3Å; Y109-H282 AromaticContact CZ-NE2 3.89Å; Y109-H282 VanDerWaalsContact OH-C 3.32Å; Y109-H282 PolarHBondContact OH-CD2 3.39Å; Y109-H282 VanDerWaalsContact OH-CD2 3.23Å; Y109-H282 PolarHBondContact OH-O 3.27Å; Y109-W285 HydrophobicContact CD2-CB 4.3Å; Y109-W285 HydrophobicContact CE2-CB 3.95Å; Y109-W285 HydrophobicContact CE2-CG 4.46Å; Y109-H286 AromaticContact CE1-CD2 3.84Å; Y109-H286 AromaticContact CZ-CD2 3.8Å
110	S	98.7	Very high	98.2	Very high	9 Å²	9	12.4 Å²	12.4	6%	0.063	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-128	173.6	-171.2	0	0	0	0	111.2	G112 G113 L134 S135 A136 P137 H282	S110-G112 PolarHBondContact O-N 2.9Å; S110-G112 VanDerWaalsContact O-N 3.13Å; S110-G113 PolarHBondContact O-N 2.71Å; S110-L134 PolarHBondContact N-O 2.81Å; S110-S135 WeakPolarHBondContact CA-O 3.33Å; S110-A136 WeakPolarHBondContact O-CA 3.38Å; S110-A136 WeakPolarHBondContact O-CB 3.17Å; S110-P137 WeakPolarHBondContact O-CD 3.43Å; S110-H282 VanDerWaalsContact CB-NE2 3.33Å; S110-H282 WeakPolarHBondContact CB-NE2 3.45Å; S110-H282 PolarHBondContact OG-CE1 3.46Å; S110-H282 PolarHBondContact OG-NE2 3.4Å
111	Q	98.8	Very high	98.3	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-51.8	-33.9	174.8	-178.5	176.9	102.3	0	0	113.6	L44 S78 M82 Y109 G113 L114 V115 S173 Y177	L44-Q111 HydrophobicContact CG-CB 4.2Å; S78-Q111 PolarHBondContact O-OE1 3.06Å; M82-Q111 HydrophobicContact CE-CG 3.89Å; M82-Q111 HydrophobicContact SD-CG 3.58Å; M82-Q111 VanDerWaalsContact SD-CG 3.58Å; Y109-Q111 PolarHBondContact O-N 2.86Å; Q111-G113 PolarHBondContact O-N 2.92Å; Q111-G113 VanDerWaalsContact O-N 3.17Å; Q111-L114 WeakPolarHBondContact O-CB 3.43Å; Q111-L114 PolarHBondContact O-N 3.33Å; Q111-V115 PolarHBondContact O-N 2.98Å; Q111-S173 VanDerWaalsContact NE2-CB 3.31Å; Q111-S173 PolarHBondContact NE2-OG 3.26Å; Q111-Y177 HydrophobicContact CG-CE1 3.89Å; Q111-Y177 VanDerWaalsContact NE2-CE1 3.29Å; Q111-Y177 PolarHBondContact NE2-OH 3.12Å
112	G	98.9	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.9	-29.7	178.1	0	0	0	0	0	113.3	H42 C108 Y109 S110 L114 V115 C116	H42-G112 VanDerWaalsContact O-CA 3.22Å; H42-G112 WeakPolarHBondContact O-CA 3.36Å; H42-G112 PolarHBondContact O-N 3.04Å; C108-G112 WeakPolarHBondContact CB-O 3.39Å; Y109-G112 WeakPolarHBondContact O-CA 3.26Å; Y109-G112 PolarHBondContact O-N 3.28Å; S110-G112 PolarHBondContact O-N 2.9Å; S110-G112 VanDerWaalsContact O-N 3.13Å; G112-L114 VanDerWaalsContact C-N 3.28Å; G112-L114 PolarHBondContact O-N 2.81Å; G112-V115 WeakPolarHBondContact O-CB 3.34Å; G112-V115 PolarHBondContact O-N 2.85Å; G112-C116 PolarHBondContact O-N 2.85Å; G112-C116 PolarHBondContact O-SG 3.09Å; G112-C116 VanDerWaalsContact O-SG 3.4Å
113	G	98.9	Very high	98.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-64.5	-31	175.3	0	0	0	0	0	113.7	S110 Q111 R117 F131 Q138	S110-G113 PolarHBondContact O-N 2.71Å; Q111-G113 PolarHBondContact O-N 2.92Å; Q111-G113 VanDerWaalsContact O-N 3.17Å; G113-R117 WeakPolarHBondContact O-CB 3.49Å; G113-R117 PolarHBondContact O-N 3.08Å; G113-R117 VanDerWaalsContact O-N 3.17Å; G113-F131 WeakPolarHBondContact O-CZ 3.21Å; G113-Q138 PolarHBondContact O-NE2 2.88Å
114	L	98.9	Very high	98.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-72	-46.1	171.1	-73.5	180	0	0	0	110.6	M82 Q111 G112 C116 R117 G118 P137 Y177 Y193 L194	M82-L114 HydrophobicContact CE-CB 3.42Å; M82-L114 VanDerWaalsContact CE-CB 3.42Å; M82-L114 HydrophobicContact CE-CD1 4.32Å; Q111-L114 WeakPolarHBondContact O-CB 3.43Å; Q111-L114 PolarHBondContact O-N 3.33Å; G112-L114 VanDerWaalsContact C-N 3.28Å; G112-L114 PolarHBondContact O-N 2.81Å; L114-C116 PolarHBondContact O-N 3.44Å; L114-R117 PolarHBondContact O-N 3.27Å; L114-R117 VanDerWaalsContact O-N 3.11Å; L114-G118 PolarHBondContact O-N 2.8Å; L114-P137 HydrophobicContact CD1-CG 3.92Å; L114-P137 HydrophobicContact CG-CG 4.44Å; L114-Y177 HydrophobicContact CD1-CD1 3.55Å; L114-Y177 HydrophobicContact CD1-CD2 4.12Å; L114-Y177 HydrophobicContact CD1-CE1 4.26Å; L114-Y177 HydrophobicContact CD1-CG 3.46Å; L114-Y177 VanDerWaalsContact CD1-CG 3.46Å; L114-Y193 VanDerWaalsContact C-OH 3.29Å; L114-Y193 HydrophobicContact CB-CE1 4.07Å; L114-Y193 PolarHBondContact O-OH 2.63Å; L114-L194 HydrophobicContact CD2-CD1 4.04Å
115	V	98.9	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-53.2	-52.1	176	178.2	0	0	0	0	110.9	V41 M82 Q85 V86 F89 Q111 G112 R117 G118 I119	V41-V115 HydrophobicContact CG1-CB 4.38Å; V41-V115 HydrophobicContact CG1-CG1 4.37Å; M82-V115 HydrophobicContact CE-CG2 3.58Å; M82-V115 HydrophobicContact SD-CG2 4.3Å; Q85-V115 HydrophobicContact CB-CG1 4.42Å; Q85-V115 HydrophobicContact CB-CG2 4.05Å; V86-V115 HydrophobicContact CG2-CG1 4.18Å; F89-V115 HydrophobicContact CB-CG1 4.12Å; F89-V115 HydrophobicContact CD2-CG1 3.61Å; F89-V115 HydrophobicContact CE2-CG1 4.33Å; F89-V115 HydrophobicContact CG-CG1 4.12Å; Q111-V115 PolarHBondContact O-N 2.98Å; G112-V115 WeakPolarHBondContact O-CB 3.34Å; G112-V115 PolarHBondContact O-N 2.85Å; V115-R117 VanDerWaalsContact C-N 3.34Å; V115-R117 PolarHBondContact O-N 3.23Å; V115-G118 PolarHBondContact O-N 3.21Å; V115-G118 VanDerWaalsContact O-N 3.12Å; V115-I119 HydrophobicContact CG1-CD1 4.2Å; V115-I119 WeakPolarHBondContact O-CG1 3.38Å; V115-I119 PolarHBondContact O-N 3.3Å
116	C	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.4	-43.9	177.5	-71.6	0	0	0	0	112.6	V41 F106 C108 G112 L114 G118 I119 L120 F131	V41-C116 VanDerWaalsContact CG2-SG 3.53Å; F106-C116 HydrophobicContact CD2-CB 3.97Å; F106-C116 HydrophobicContact CE2-CB 4.47Å; C108-C116 HydrophobicContact CB-CB 3.68Å; C108-C116 WeakPolarHBondContact CB-SG 3.26Å; C108-C116 WeakPolarHBondContact SG-CB 3.46Å; C108-C116 CovalentContact SG-SG 2.02Å; C108-C116 PolarHBondContact SG-SG 3.09Å; G112-C116 PolarHBondContact O-N 2.85Å; G112-C116 PolarHBondContact O-SG 3.09Å; G112-C116 VanDerWaalsContact O-SG 3.4Å; L114-C116 PolarHBondContact O-N 3.44Å; C116-G118 VanDerWaalsContact C-N 3.31Å; C116-G118 PolarHBondContact O-N 3.4Å; C116-I119 PolarHBondContact O-N 3.31Å; C116-L120 WeakPolarHBondContact O-CB 3.36Å; C116-L120 WeakPolarHBondContact O-CG 3.08Å; C116-L120 PolarHBondContact O-N 3.32Å; C116-F131 HydrophobicContact CB-CD2 4.39Å; C116-F131 HydrophobicContact CB-CE2 3.76Å; C116-F131 HydrophobicContact CB-CZ 4.13Å
117	R	98.9	Very high	98.6	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-42	175.8	-179.1	162.4	60.9	98.5	-6.3	111.6	G113 L114 V115 I119 L120 S121 F131 Q138 I197 N198 F213	G113-R117 WeakPolarHBondContact O-CB 3.49Å; G113-R117 PolarHBondContact O-N 3.08Å; G113-R117 VanDerWaalsContact O-N 3.17Å; L114-R117 PolarHBondContact O-N 3.27Å; L114-R117 VanDerWaalsContact O-N 3.11Å; V115-R117 VanDerWaalsContact C-N 3.34Å; V115-R117 PolarHBondContact O-N 3.23Å; R117-I119 PolarHBondContact O-N 3.21Å; R117-L120 PolarHBondContact O-N 2.89Å; R117-S121 PolarHBondContact O-N 3Å; R117-S121 PolarHBondContact O-OG 3.19Å; R117-S121 VanDerWaalsContact O-OG 3.11Å; R117-F131 HydrophobicContact CB-CE1 4.15Å; R117-F131 HydrophobicContact CB-CZ 4.32Å; R117-Q138 PolarHBondContact NH2-O 2.96Å; R117-I197 VanDerWaalsContact NH1-CD1 3.31Å; R117-N198 PolarHBondContact NH1-OD1 3.29Å; R117-N198 PolarHBondContact NH2-OD1 2.97Å; R117-F213 HydrophobicContact CG-CD2 4.32Å; R117-F213 HydrophobicContact CG-CE2 3.83Å; R117-F213 HydrophobicContact CG-CZ 4.47Å
118	G	98.8	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.3	-46	173.7	0	0	0	0	0	112.8	L114 V115 C116 L120 S121 I122	L114-G118 PolarHBondContact O-N 2.8Å; V115-G118 PolarHBondContact O-N 3.21Å; V115-G118 VanDerWaalsContact O-N 3.12Å; C116-G118 VanDerWaalsContact C-N 3.31Å; C116-G118 PolarHBondContact O-N 3.4Å; G118-L120 PolarHBondContact O-N 3.14Å; G118-S121 PolarHBondContact O-N 2.81Å; G118-I122 WeakPolarHBondContact O-CG1 3.5Å; G118-I122 PolarHBondContact O-N 3.11Å
119	I	98.9	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-49.9	175.5	-63.3	170.8	0	0	0	110.5	V86 F89 K90 I93 V115 C116 R117 S121 I122 L123	V86-I119 HydrophobicContact CG1-CG1 3.96Å; F89-I119 HydrophobicContact CB-CD1 3.7Å; K90-I119 HydrophobicContact CB-CD1 4.48Å; K90-I119 HydrophobicContact CB-CG1 4.18Å; K90-I119 HydrophobicContact CB-CG2 4.33Å; K90-I119 HydrophobicContact CG-CG2 4.36Å; I93-I119 HydrophobicContact CD1-CD1 4.09Å; V115-I119 HydrophobicContact CG1-CD1 4.2Å; V115-I119 WeakPolarHBondContact O-CG1 3.38Å; V115-I119 PolarHBondContact O-N 3.3Å; C116-I119 PolarHBondContact O-N 3.31Å; R117-I119 PolarHBondContact O-N 3.21Å; I119-S121 PolarHBondContact O-N 3.01Å; I119-I122 PolarHBondContact O-N 2.99Å; I119-I122 VanDerWaalsContact O-N 3.13Å; I119-L123 HydrophobicContact CG2-CB 4.36Å; I119-L123 HydrophobicContact CG2-CD2 4.18Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 PolarHBondContact O-N 3.09Å
120	L	98.9	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-25.5	-178.9	-67	169.8	0	0	0	113.1	F106 C116 R117 G118 V128 F131 N212 F213 I216	F106-L120 HydrophobicContact CD2-CD1 4.34Å; F106-L120 HydrophobicContact CD2-CD2 4.42Å; F106-L120 HydrophobicContact CD2-CG 4.42Å; F106-L120 HydrophobicContact CE2-CD2 4.09Å; F106-L120 HydrophobicContact CE2-CG 4.23Å; C116-L120 WeakPolarHBondContact O-CB 3.36Å; C116-L120 WeakPolarHBondContact O-CG 3.08Å; C116-L120 PolarHBondContact O-N 3.32Å; R117-L120 PolarHBondContact O-N 2.89Å; G118-L120 PolarHBondContact O-N 3.14Å; L120-V128 HydrophobicContact CD2-CB 3.75Å; L120-V128 HydrophobicContact CD2-CG1 4.28Å; L120-V128 HydrophobicContact CD2-CG2 3.51Å; L120-F131 HydrophobicContact CD1-CB 3.95Å; L120-F131 HydrophobicContact CD1-CD1 3.45Å; L120-F131 VanDerWaalsContact CD1-CD1 3.45Å; L120-F131 HydrophobicContact CD1-CD2 4.27Å; L120-F131 HydrophobicContact CD1-CE1 4.02Å; L120-F131 HydrophobicContact CD1-CG 3.62Å; L120-N212 CarbonylContact O-C 3.37Å; L120-N212 VanDerWaalsContact O-C 3.28Å; L120-N212 WeakPolarHBondContact O-CB 3.24Å; L120-F213 HydrophobicContact CB-CD2 3.9Å; L120-F213 HydrophobicContact CB-CE2 4.38Å; L120-F213 HydrophobicContact CD1-CE2 4.32Å; L120-F213 PolarHBondContact O-N 2.86Å; L120-I216 HydrophobicContact CD1-CG2 3.95Å; L120-I216 HydrophobicContact CD2-CG2 3.82Å; L120-I216 HydrophobicContact CG-CG2 4.39Å
121	S	98.4	Very high	98.6	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-76.4	-42.8	171.8	-65.9	0	0	0	0	112.3	R117 G118 I119 W209 N212	R117-S121 PolarHBondContact O-N 3Å; R117-S121 PolarHBondContact O-OG 3.19Å; R117-S121 VanDerWaalsContact O-OG 3.11Å; G118-S121 PolarHBondContact O-N 2.81Å; I119-S121 PolarHBondContact O-N 3.01Å; S121-W209 VanDerWaalsContact O-CA 3.3Å; S121-W209 WeakPolarHBondContact O-CA 3.43Å; S121-N212 VanDerWaalsContact O-CB 3.25Å; S121-N212 WeakPolarHBondContact O-CB 3.42Å; S121-N212 PolarHBondContact O-ND2 3.12Å
122	I	98.2	Very high	98.6	Very high	31 Å²	31	14.1 Å²	14.1	16%	0.159	8%	0.076	C	C	.	.	H	α-helix	trans	-94.6	-12.3	-170.9	73	170.7	0	0	0	114.9	W83 V86 E87 K90 G118 I119 P124 W209	W83-I122 HydrophobicContact CH2-CG2 4.15Å; W83-I122 HydrophobicContact CZ3-CD1 4.44Å; W83-I122 HydrophobicContact CZ3-CG2 3.9Å; V86-I122 HydrophobicContact CG1-CD1 3.52Å; V86-I122 HydrophobicContact CG1-CG1 4.26Å; E87-I122 WeakPolarHBondContact OE1-CD1 3.34Å; K90-I122 HydrophobicContact CD-CD1 4.06Å; K90-I122 HydrophobicContact CD-CG1 4.26Å; G118-I122 WeakPolarHBondContact O-CG1 3.5Å; G118-I122 PolarHBondContact O-N 3.11Å; I119-I122 PolarHBondContact O-N 2.99Å; I119-I122 VanDerWaalsContact O-N 3.13Å; I122-P124 VanDerWaalsContact O-CD 3.3Å; I122-P124 WeakPolarHBondContact O-CD 3.19Å; I122-W209 HydrophobicContact CG2-CD2 4.38Å; I122-W209 HydrophobicContact CG2-CZ2 3.85Å
123	L	98.3	Very high	98.6	Very high	13 Å²	13	14.1 Å²	14.1	7%	0.068	8%	0.076	C	C	.	.			trans	-101.8	102.1	-175.1	-175.9	63.4	0	0	0	110.9	K90 Y94 M97 I119 D125 H126	K90-L123 HydrophobicContact CD-CD1 4.29Å; K90-L123 HydrophobicContact CG-CD1 4.41Å; K90-L123 HydrophobicContact CG-CD2 4.42Å; Y94-L123 HydrophobicContact CD2-CD1 3.86Å; Y94-L123 HydrophobicContact CD2-CD2 4.06Å; Y94-L123 HydrophobicContact CE2-CD1 3.96Å; M97-L123 HydrophobicContact SD-CD2 4.27Å; I119-L123 HydrophobicContact CG2-CB 4.36Å; I119-L123 HydrophobicContact CG2-CD2 4.18Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 PolarHBondContact O-N 3.09Å; L123-D125 VanDerWaalsContact CD1-OD1 3.28Å; L123-D125 WeakPolarHBondContact CD1-OD1 3.17Å; L123-D125 PolarHBondContact O-N 2.62Å; L123-H126 HydrophobicContact CB-CB 4.26Å; L123-H126 HydrophobicContact CD2-CB 3.74Å; L123-H126 HydrophobicContact CG-CB 3.93Å; L123-H126 PolarHBondContact O-CD2 2.79Å
124	P	97.6	Very high	98.6	Very high	58 Å²	58	14.1 Å²	14.1	38%	0.377	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.9	-171.5	27.6	-35.8	0	0	0	115.4	I122 N212 K215	I122-P124 VanDerWaalsContact O-CD 3.3Å; I122-P124 WeakPolarHBondContact O-CD 3.19Å; P124-N212 VanDerWaalsContact CA-OD1 3.25Å; P124-N212 WeakPolarHBondContact CA-OD1 3.09Å; P124-N212 WeakPolarHBondContact CB-OD1 3.2Å; P124-K215 WeakPolarHBondContact O-CD 3.46Å; P124-K215 WeakPolarHBondContact O-CE 3.35Å; P124-K215 PolarHBondContact O-NZ 3.08Å
125	D	96.9	Very high	98.6	Very high	73 Å²	73	14.1 Å²	14.1	39%	0.39	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	22.9	-176.7	63.2	-29.6	0	0	0	112.6	Y94 Q98 L123	Y94-D125 WeakPolarHBondContact CE2-OD1 3.37Å; Y94-D125 VanDerWaalsContact CE2-OD2 3.24Å; Y94-D125 WeakPolarHBondContact CE2-OD2 3.39Å; Y94-D125 PolarHBondContact OH-OD2 2.98Å; Q98-D125 PolarHBondContact NE2-OD2 3.32Å; L123-D125 VanDerWaalsContact CD1-OD1 3.28Å; L123-D125 WeakPolarHBondContact CD1-OD1 3.17Å; L123-D125 PolarHBondContact O-N 2.62Å
126	H	98.6	Very high	98.6	Very high	12 Å²	12	14.1 Å²	14.1	6%	0.056	8%	0.076	C	C	.	.			trans	-66.6	141.8	174.1	90.4	66.9	0	0	0	110.4	M97 L123 V128 N212	M97-H126 HydrophobicContact CE-CB 3.63Å; L123-H126 HydrophobicContact CB-CB 4.26Å; L123-H126 HydrophobicContact CD2-CB 3.74Å; L123-H126 HydrophobicContact CG-CB 3.93Å; L123-H126 PolarHBondContact O-CD2 2.79Å; H126-V128 PolarHBondContact ND1-N 2.87Å; H126-N212 PolarHBondContact NE2-O 2.71Å
127	N	98.3	Very high	98.6	Very high	51 Å²	51	14.2 Å²	14.2	27%	0.273	8%	0.077	S	C	.	.			trans	-116.5	33.8	178.6	64.3	1.2	0	0	0	112	M97 A100 G103 V104 H129	M97-N127 WeakPolarHBondContact CB-OD1 3.26Å; M97-N127 WeakPolarHBondContact CE-OD1 3.44Å; M97-N127 PolarHBondContact O-ND2 2.97Å; A100-N127 PolarHBondContact O-ND2 2.81Å; G103-N127 WeakPolarHBondContact CA-O 3.48Å; V104-N127 PolarHBondContact N-O 3.44Å; N127-H129 PolarHBondContact O-N 3Å
128	V	98.8	Very high	98.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	179.8	-179.3	0	0	0	0	110	M97 V104 F106 L120 H126 F131 I216	M97-V128 HydrophobicContact CE-CG2 3.5Å; M97-V128 VanDerWaalsContact CE-CG2 3.5Å; M97-V128 HydrophobicContact SD-CG2 4.34Å; V104-V128 HydrophobicContact CG2-CG2 4.04Å; V104-V128 CarbonylContact O-C 3.57Å; V104-V128 WeakPolarHBondContact O-CA 3.38Å; F106-V128 HydrophobicContact CB-CG1 4.16Å; F106-V128 HydrophobicContact CD1-CG1 4.13Å; F106-V128 HydrophobicContact CD1-CG2 3.84Å; F106-V128 HydrophobicContact CD2-CG1 4.31Å; F106-V128 HydrophobicContact CD2-CG2 4.08Å; F106-V128 HydrophobicContact CE1-CG2 3.5Å; F106-V128 VanDerWaalsContact CE1-CG2 3.5Å; F106-V128 HydrophobicContact CE2-CG2 3.78Å; F106-V128 HydrophobicContact CG-CG1 3.95Å; F106-V128 HydrophobicContact CG-CG2 4.12Å; F106-V128 HydrophobicContact CZ-CG2 3.46Å; F106-V128 VanDerWaalsContact CZ-CG2 3.46Å; L120-V128 HydrophobicContact CD2-CB 3.75Å; L120-V128 HydrophobicContact CD2-CG1 4.28Å; L120-V128 HydrophobicContact CD2-CG2 3.51Å; H126-V128 PolarHBondContact ND1-N 2.87Å; V128-F131 HydrophobicContact CG1-CB 4.44Å; V128-I216 HydrophobicContact CB-CG2 4.31Å; V128-I216 HydrophobicContact CG1-CG2 4.44Å; V128-I216 WeakPolarHBondContact O-CA 3.35Å
129	H	98.6	Very high	98.5	Very high	52 Å²	52	14.2 Å²	14.2	24%	0.241	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-63.9	176.3	-175.4	-80.1	0	0	0	111	K36 V104 H105 N127 Q217 K218	K36-H129 HydrophobicContact CD-CB 4.01Å; V104-H129 PolarHBondContact O-N 2.65Å; H105-H129 AromaticContact CE1-CG 4Å; H105-H129 AromaticContact CE1-ND1 3.65Å; H105-H129 AromaticContact ND1-ND1 3.97Å; N127-H129 PolarHBondContact O-N 3Å; H129-Q217 CarbonylContact O-C 3.58Å; H129-Q217 WeakPolarHBondContact O-CA 3.5Å; H129-Q217 VanDerWaalsContact O-CB 3.3Å; H129-Q217 WeakPolarHBondContact O-CB 2.99Å; H129-Q217 PolarHBondContact O-N 3.09Å; H129-K218 PolarHBondContact O-N 2.97Å
130	S	98.8	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.8	179.9	-49.7	0	0	0	0	109.4	H105 F106 W299	H105-S130 WeakPolarHBondContact CA-O 3.39Å; H105-S130 PolarHBondContact CE1-OG 3.37Å; H105-S130 VanDerWaalsContact ND1-CB 3.26Å; H105-S130 WeakPolarHBondContact ND1-CB 3.44Å; H105-S130 PolarHBondContact ND1-N 3.45Å; H105-S130 PolarHBondContact ND1-OG 3.38Å; H105-S130 VanDerWaalsContact ND1-OG 3.09Å; F106-S130 PolarHBondContact N-O 3.35Å; S130-W299 WeakPolarHBondContact CB-O 3.43Å; S130-W299 PolarHBondContact OG-O 3.17Å
131	F	98.9	Very high	98.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.1	167.1	172	-150.2	0	0	0	109.1	F106 C108 G113 C116 R117 L120 V128 F213 I216 K218 L219 V220	F106-F131 HydrophobicContact CB-CD2 4.13Å; C108-F131 HydrophobicContact CB-CE2 3.99Å; G113-F131 WeakPolarHBondContact O-CZ 3.21Å; C116-F131 HydrophobicContact CB-CD2 4.39Å; C116-F131 HydrophobicContact CB-CE2 3.76Å; C116-F131 HydrophobicContact CB-CZ 4.13Å; R117-F131 HydrophobicContact CB-CE1 4.15Å; R117-F131 HydrophobicContact CB-CZ 4.32Å; L120-F131 HydrophobicContact CD1-CB 3.95Å; L120-F131 HydrophobicContact CD1-CD1 3.45Å; L120-F131 VanDerWaalsContact CD1-CD1 3.45Å; L120-F131 HydrophobicContact CD1-CD2 4.27Å; L120-F131 HydrophobicContact CD1-CE1 4.02Å; L120-F131 HydrophobicContact CD1-CG 3.62Å; V128-F131 HydrophobicContact CG1-CB 4.44Å; F131-F213 HydrophobicContact CD1-CE2 4.14Å; F131-F213 HydrophobicContact CD1-CZ 4.42Å; F131-F213 HydrophobicContact CE1-CE2 4.17Å; F131-F213 HydrophobicContact CE1-CZ 4.47Å; F131-I216 HydrophobicContact CB-CD1 4.35Å; F131-I216 HydrophobicContact CB-CG2 4.46Å; F131-I216 HydrophobicContact CD1-CD1 4.37Å; F131-K218 PolarHBondContact N-O 3.5Å; F131-L219 HydrophobicContact CB-CD1 4.47Å; F131-L219 HydrophobicContact CD1-CD1 3.45Å; F131-L219 VanDerWaalsContact CD1-CD1 3.45Å; F131-L219 HydrophobicContact CE1-CD1 3.8Å; F131-L219 HydrophobicContact CG-CD1 4.11Å; F131-L219 WeakPolarHBondContact O-CA 3.5Å; F131-V220 PolarHBondContact O-N 3.33Å
132	I	98.9	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	104.5	177.6	-52.7	-177.3	0	0	0	108.5	F106 I107 C108 L134 V220 I222 I296 W299 L300	F106-I132 WeakPolarHBondContact O-CB 3.43Å; F106-I132 PolarHBondContact O-N 2.77Å; I107-I132 WeakPolarHBondContact CA-O 3.48Å; I107-I132 HydrophobicContact CG1-CB 4.28Å; I107-I132 HydrophobicContact CG1-CD1 4.19Å; I107-I132 HydrophobicContact CG2-CB 4.49Å; I107-I132 HydrophobicContact CG2-CG2 4.41Å; C108-I132 PolarHBondContact N-O 3.47Å; I132-L134 PolarHBondContact O-N 2.88Å; I132-V220 HydrophobicContact CB-CB 4.45Å; I132-V220 HydrophobicContact CG1-CB 4.16Å; I132-V220 HydrophobicContact CG1-CG2 4.24Å; I132-V220 HydrophobicContact CG2-CB 4.35Å; I132-V220 HydrophobicContact CG2-CG1 4.49Å; I132-I222 HydrophobicContact CG2-CD1 3.46Å; I132-I222 VanDerWaalsContact CG2-CD1 3.46Å; I132-I222 HydrophobicContact CG2-CG1 4.32Å; I132-I296 HydrophobicContact CD1-CG2 3.84Å; I132-I296 HydrophobicContact CG2-CG1 4.36Å; I132-W299 HydrophobicContact CD1-CB 3.91Å; I132-L300 HydrophobicContact CD1-CD2 3.82Å; I132-L300 HydrophobicContact CD1-CG 4.46Å
133	S	98.9	Very high	98.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	101.6	174.5	172.4	0	0	0	0	109.3	S135 A136 Q138 V220 I222	S133-S135 PolarHBondContact O-N 2.82Å; S133-A136 WeakPolarHBondContact OG-CB 3.44Å; S133-Q138 PolarHBondContact OG-NE2 2.88Å; S133-V220 PolarHBondContact N-O 3.3Å; S133-I222 PolarHBondContact O-N 3.38Å
134	L	98.9	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	95.1	-173.4	-174.9	63.7	0	0	0	110.8	I107 C108 Y109 S110 I132 A136 I222 W285 H286 V291 I296	I107-L134 HydrophobicContact CG2-CB 4.4Å; I107-L134 HydrophobicContact CG2-CD2 4.29Å; C108-L134 PolarHBondContact O-N 2.84Å; Y109-L134 WeakPolarHBondContact CA-O 3.43Å; Y109-L134 HydrophobicContact CD2-CB 4.48Å; Y109-L134 HydrophobicContact CD2-CD2 4.15Å; Y109-L134 HydrophobicContact CD2-CG 4.09Å; Y109-L134 WeakPolarHBondContact CD2-O 3.3Å; S110-L134 PolarHBondContact N-O 2.81Å; I132-L134 PolarHBondContact O-N 2.88Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-A136 PolarHBondContact O-N 2.8Å; L134-I222 HydrophobicContact CD1-CB 3.96Å; L134-I222 HydrophobicContact CD1-CD1 3.86Å; L134-I222 HydrophobicContact CD1-CG1 4.5Å; L134-I222 HydrophobicContact CD1-CG2 3.79Å; L134-W285 HydrophobicContact CD1-CB 3.95Å; L134-W285 HydrophobicContact CD2-CB 4.18Å; L134-W285 HydrophobicContact CG-CB 3.88Å; L134-H286 HydrophobicContact CD2-CB 3.99Å; L134-V291 HydrophobicContact CD1-CG1 4.16Å; L134-I296 HydrophobicContact CD1-CD1 4.24Å; L134-I296 HydrophobicContact CD2-CD1 4.45Å
135	S	98.8	Very high	96.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	47.9	48.9	-177.3	-149.7	0	0	0	0	114.3	S110 S133 I222 D227 I230 H282 W285	S110-S135 WeakPolarHBondContact CA-O 3.33Å; S133-S135 PolarHBondContact O-N 2.82Å; S135-I222 WeakPolarHBondContact CA-O 3.39Å; S135-I222 PolarHBondContact N-O 3.45Å; S135-D227 PolarHBondContact OG-OD2 2.97Å; S135-I230 WeakPolarHBondContact O-CG1 3.26Å; S135-H282 PolarHBondContact O-CE1 2.87Å; S135-W285 VanDerWaalsContact CB-NE1 3.31Å; S135-W285 PolarHBondContact OG-NE1 3.35Å
136	A	98.8	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.			trans	-89.1	146.6	177.9	0	0	0	0	0	111.7	S110 S133 L134 Q138 S236	S110-A136 WeakPolarHBondContact O-CA 3.38Å; S110-A136 WeakPolarHBondContact O-CB 3.17Å; S133-A136 WeakPolarHBondContact OG-CB 3.44Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-A136 PolarHBondContact O-N 2.8Å; A136-Q138 HydrophobicContact CB-CG 4.16Å; A136-Q138 PolarHBondContact O-N 2.86Å; A136-S236 WeakPolarHBondContact O-CA 3.31Å; A136-S236 PolarHBondContact O-N 2.96Å
137	P	98.7	Very high	95	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.013	10%	0.099	C	C	.	.			trans	-75.3	67	175.2	29.9	-31.1	0	0	0	111	S110 L114 A139 G140 Y177 I230 S235	S110-P137 WeakPolarHBondContact O-CD 3.43Å; L114-P137 HydrophobicContact CD1-CG 3.92Å; L114-P137 HydrophobicContact CG-CG 4.44Å; P137-A139 VanDerWaalsContact C-N 3.29Å; P137-A139 PolarHBondContact O-N 2.77Å; P137-G140 WeakPolarHBondContact CB-O 3.47Å; P137-G140 WeakPolarHBondContact O-CA 3.44Å; P137-G140 PolarHBondContact O-N 2.87Å; P137-Y177 HydrophobicContact CB-CD2 4.44Å; P137-Y177 HydrophobicContact CG-CD2 4.01Å; P137-Y177 HydrophobicContact CG-CE2 3.92Å; P137-I230 HydrophobicContact CB-CD1 4.08Å; P137-I230 HydrophobicContact CB-CG2 4.36Å; P137-I230 HydrophobicContact CG-CD1 4.15Å; P137-S235 VanDerWaalsContact C-OG 3.26Å; P137-S235 WeakPolarHBondContact CA-OG 3.37Å
138	Q	98.8	Very high	94.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-33.7	-171.3	-68.1	-66.2	-2.9	0	0	113.1	G113 R117 S133 A136 S235 F238	G113-Q138 PolarHBondContact O-NE2 2.88Å; R117-Q138 PolarHBondContact NH2-O 2.96Å; S133-Q138 PolarHBondContact OG-NE2 2.88Å; A136-Q138 HydrophobicContact CB-CG 4.16Å; A136-Q138 PolarHBondContact O-N 2.86Å; Q138-S235 VanDerWaalsContact CB-O 3.3Å; Q138-S235 WeakPolarHBondContact CB-O 3.47Å; Q138-S235 PolarHBondContact N-O 3.36Å; Q138-S235 PolarHBondContact N-OG 3.23Å; Q138-F238 HydrophobicContact CB-CD1 3.84Å; Q138-F238 HydrophobicContact CB-CD2 4Å; Q138-F238 HydrophobicContact CB-CE1 3.68Å; Q138-F238 HydrophobicContact CB-CE2 3.84Å; Q138-F238 HydrophobicContact CB-CG 4Å; Q138-F238 HydrophobicContact CB-CZ 3.68Å; Q138-F238 HydrophobicContact CG-CE2 4.06Å; Q138-F238 HydrophobicContact CG-CZ 4.11Å
139	A	98.4	Very high	93.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	10.4	171.2	0	0	0	0	0	113.5	P137 N179 S235 F240	P137-A139 VanDerWaalsContact C-N 3.29Å; P137-A139 PolarHBondContact O-N 2.77Å; A139-N179 PolarHBondContact O-ND2 3.02Å; A139-S235 PolarHBondContact N-O 3.01Å; A139-S235 PolarHBondContact N-OG 3.49Å; A139-F240 HydrophobicContact CB-CB 3.8Å; A139-F240 HydrophobicContact CB-CD2 3.77Å; A139-F240 HydrophobicContact CB-CG 4.03Å; A139-F240 WeakPolarHBondContact O-CD2 3.46Å; A139-F240 WeakPolarHBondContact O-CE2 3.33Å
140	G	98.3	Very high	92.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.134	C	C	.	.			trans	97.1	-174.2	-178.7	0	0	0	0	0	114.2	P137 Y177 S235 F240	P137-G140 WeakPolarHBondContact CB-O 3.47Å; P137-G140 WeakPolarHBondContact O-CA 3.44Å; P137-G140 PolarHBondContact O-N 2.87Å; G140-Y177 CarbonylContact C-O 3.28Å; G140-Y177 VanDerWaalsContact CA-O 3.24Å; G140-Y177 WeakPolarHBondContact CA-O 3.39Å; G140-S235 PolarHBondContact N-OG 3.49Å; G140-S235 WeakPolarHBondContact O-CB 3.3Å; G140-S235 PolarHBondContact O-OG 3.11Å; G140-F240 WeakPolarHBondContact O-CE2 3.13Å
141	Q	97.8	Very high	91.7	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.07	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-127.2	135.9	-177.4	178.3	69.3	22.2	0	0	110.2	Y177 W178 N179 V229	Q141-Y177 HydrophobicContact CB-CD2 3.97Å; Q141-Y177 HydrophobicContact CB-CE2 4.08Å; Q141-Y177 PolarHBondContact N-O 3.26Å; Q141-W178 HydrophobicContact CB-CE3 4.47Å; Q141-W178 HydrophobicContact CG-CE3 4.25Å; Q141-W178 HydrophobicContact CG-CZ3 4.05Å; Q141-W178 VanDerWaalsContact O-CE3 3.28Å; Q141-N179 PolarHBondContact O-N 3.42Å; Q141-V229 PolarHBondContact NE2-O 2.86Å
142	Y	97.1	Very high	91	Very high	3 Å²	3	32 Å²	32	1%	0.012	15%	0.148	C	C	.	.			trans	-151.9	94.4	168.7	-172.3	-102.5	0	0	0	110.9	K157 W178 N179 D180 P181 H182 T231 Y241	Y142-K157 HydrophobicContact CD1-CD 4.18Å; Y142-K157 HydrophobicContact CE1-CD 3.77Å; Y142-K157 HydrophobicContact CE1-CG 4.14Å; Y142-K157 HydrophobicContact CE2-CB 4.43Å; Y142-W178 AromaticContact CD2-CE2 3.67Å; Y142-W178 AromaticContact CD2-CH2 3.97Å; Y142-W178 HydrophobicContact CD2-CH2 3.97Å; Y142-W178 AromaticContact CD2-CZ2 3.25Å; Y142-W178 HydrophobicContact CD2-CZ2 3.25Å; Y142-W178 AromaticContact CD2-NE1 3.99Å; Y142-W178 AromaticContact CE2-CZ2 3.58Å; Y142-W178 HydrophobicContact CE2-CZ2 3.58Å; Y142-W178 HydrophobicContact CG-CZ2 4.2Å; Y142-N179 WeakPolarHBondContact CB-O 3.4Å; Y142-D180 HydrophobicContact CD2-CB 4.14Å; Y142-D180 HydrophobicContact CE2-CB 4Å; Y142-D180 VanDerWaalsContact CE2-CG 3.49Å; Y142-D180 WeakPolarHBondContact CE2-OD1 3.03Å; Y142-P181 HydrophobicContact CD1-CG 4.05Å; Y142-P181 HydrophobicContact CE1-CG 4.12Å; Y142-P181 HydrophobicContact CG-CG 4.42Å; Y142-H182 AromaticContact CZ-CD2 3.88Å; Y142-H182 PolarHBondContact OH-CD2 3.03Å; Y142-T231 CarbonylContact C-O 3.58Å; Y142-T231 PolarHBondContact N-O 3.16Å; Y142-T231 WeakPolarHBondContact O-CG2 3.37Å; Y142-Y241 HydrophobicContact CD1-CD2 4.04Å; Y142-Y241 HydrophobicContact CD1-CE2 4.14Å
143	G	91.4	Very high	90.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	-175.5	151.4	-179.6	0	0	0	0	0	114.4	T145	G143-T145 PolarHBondContact O-N 2.86Å
144	D	85.2	Confident	89.3	Confident	77 Å²	77	44.5 Å²	44.5	41%	0.412	21%	0.214	S	C	.	.			trans	-81.1	101.1	173.1	-69.7	-56.3	0	0	0	110	V156 K157	D144-V156 WeakPolarHBondContact OD1-CA 3.29Å; D144-K157 PolarHBondContact OD1-N 2.91Å; D144-K157 WeakPolarHBondContact OD2-CG 3.02Å
145	T	83.3	Confident	88	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.074	23%	0.228	C	C	.	.			trans	-114.9	164.5	179.6	66.6	0	0	0	0	111	G143 Y147 L148 K149 V229	G143-T145 PolarHBondContact O-N 2.86Å; T145-Y147 PolarHBondContact O-N 2.99Å; T145-Y147 PolarHBondContact OG1-N 3.4Å; T145-L148 WeakPolarHBondContact O-CB 3.47Å; T145-L148 PolarHBondContact O-N 3.17Å; T145-L148 VanDerWaalsContact O-N 3.09Å; T145-L148 PolarHBondContact OG1-N 3.13Å; T145-K149 WeakPolarHBondContact O-CG 3.45Å; T145-K149 PolarHBondContact O-N 3.04Å; T145-V229 WeakPolarHBondContact CG2-O 3.24Å
146	D	80.6	Confident	87.4	Confident	127 Å²	127	51 Å²	51	68%	0.679	25%	0.248	S	C	*	.	H	α-helix	trans	-62.2	-32.3	172.5	-67.4	-24.7	0	0	0	111.6	K149 Y150	D146-K149 PolarHBondContact O-N 3.29Å; D146-K149 IonicContact OD1-NZ 3.26Å; D146-Y150 VanDerWaalsContact O-CB 3.31Å; D146-Y150 WeakPolarHBondContact O-CB 3.15Å; D146-Y150 PolarHBondContact O-N 2.87Å
147	Y	78.6	Confident	86.8	Confident	71 Å²	71	52.9 Å²	52.9	28%	0.278	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-44.7	170.4	-88.5	-103.6	0	0	0	111.9	F45 T145 Y150 L151 V229	F45-Y147 HydrophobicContact CD2-CD1 4.33Å; F45-Y147 AromaticContact CD2-CE1 3.92Å; F45-Y147 HydrophobicContact CD2-CE1 3.92Å; F45-Y147 HydrophobicContact CE2-CD1 4.45Å; F45-Y147 HydrophobicContact CE2-CE1 4.47Å; T145-Y147 PolarHBondContact O-N 2.99Å; T145-Y147 PolarHBondContact OG1-N 3.4Å; Y147-Y150 PolarHBondContact O-N 3.2Å; Y147-L151 WeakPolarHBondContact O-CB 2.97Å; Y147-L151 WeakPolarHBondContact O-CG 3.44Å; Y147-L151 PolarHBondContact O-N 2.78Å; Y147-V229 HydrophobicContact CD2-CG1 4.2Å; Y147-V229 HydrophobicContact CD2-CG2 4.11Å; Y147-V229 HydrophobicContact CE2-CG2 4.24Å
148	L	81.7	Confident	86	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-48.1	177.8	-172.3	76.3	0	0	0	110.7	T145 Y150 L151 F152 K157 L160 W178	T145-L148 WeakPolarHBondContact O-CB 3.47Å; T145-L148 PolarHBondContact O-N 3.17Å; T145-L148 VanDerWaalsContact O-N 3.09Å; T145-L148 PolarHBondContact OG1-N 3.13Å; L148-Y150 VanDerWaalsContact C-N 3.29Å; L148-Y150 PolarHBondContact O-N 3.37Å; L148-L151 PolarHBondContact O-N 2.02Å; L148-F152 HydrophobicContact CD1-CD2 3.63Å; L148-F152 HydrophobicContact CD1-CE2 4.3Å; L148-F152 HydrophobicContact CG-CD2 4.47Å; L148-F152 CarbonylContact O-C 3.49Å; L148-F152 WeakPolarHBondContact O-CA 3.37Å; L148-F152 PolarHBondContact O-N 3.28Å; L148-K157 HydrophobicContact CD2-CB 4.49Å; L148-L160 HydrophobicContact CD1-CD1 4.22Å; L148-L160 HydrophobicContact CD1-CD2 3.42Å; L148-L160 VanDerWaalsContact CD1-CD2 3.42Å; L148-L160 HydrophobicContact CD1-CG 4.37Å; L148-W178 HydrophobicContact CD1-CZ3 4.3Å
149	K	83.1	Confident	85.5	Confident	118 Å²	118	58.8 Å²	58.8	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-36.9	178.8	-68.2	173	-172.1	164	0	112.3	T145 D146 P153	T145-K149 WeakPolarHBondContact O-CG 3.45Å; T145-K149 PolarHBondContact O-N 3.04Å; D146-K149 PolarHBondContact O-N 3.29Å; D146-K149 IonicContact OD1-NZ 3.26Å; K149-P153 WeakPolarHBondContact O-CA 3.33Å; K149-P153 WeakPolarHBondContact O-CB 3.42Å
150	Y	80.6	Confident	85.2	Confident	175 Å²	175	58.7 Å²	58.7	69%	0.686	29%	0.291	S	S	*	.	H	α-helix	trans	-65.9	-44.5	176.5	174.6	-106.8	0	0	0	112	F45 D146 Y147 L148	F45-Y150 HydrophobicContact CE2-CE1 4.35Å; F45-Y150 HydrophobicContact CZ-CE1 4.28Å; D146-Y150 VanDerWaalsContact O-CB 3.31Å; D146-Y150 WeakPolarHBondContact O-CB 3.15Å; D146-Y150 PolarHBondContact O-N 2.87Å; Y147-Y150 PolarHBondContact O-N 3.2Å; L148-Y150 VanDerWaalsContact C-N 3.29Å; L148-Y150 PolarHBondContact O-N 3.37Å
151	L	79.3	Confident	84.9	Confident	38 Å²	38	60.8 Å²	60.8	20%	0.199	30%	0.3	C	S	.	.	H	α-helix	trans	-82	-36.1	-175.5	-74.9	172	0	0	0	114	F45 L79 Y147 L148 P153 I174	F45-L151 HydrophobicContact CE2-CD1 4.08Å; F45-L151 HydrophobicContact CE2-CD2 3.99Å; F45-L151 HydrophobicContact CE2-CG 4.28Å; F45-L151 HydrophobicContact CZ-CD1 4.38Å; F45-L151 HydrophobicContact CZ-CD2 3.57Å; F45-L151 HydrophobicContact CZ-CG 4.35Å; L79-L151 HydrophobicContact CD1-CD2 4.02Å; L79-L151 HydrophobicContact CD2-CD1 4.31Å; L79-L151 HydrophobicContact CD2-CD2 4.33Å; Y147-L151 WeakPolarHBondContact O-CB 2.97Å; Y147-L151 WeakPolarHBondContact O-CG 3.44Å; Y147-L151 PolarHBondContact O-N 2.78Å; L148-L151 PolarHBondContact O-N 2.02Å; L151-P153 VanDerWaalsContact C-CD 3.48Å; L151-I174 HydrophobicContact CD1-CD1 3.08Å; L151-I174 HydrophobicContact CG-CD1 4.48Å
152	F	84.1	Confident	84.6	Confident	23 Å²	23	65.6 Å²	65.6	10%	0.101	32%	0.322	C	S	.	.			trans	-132	63.2	-173.3	-52.5	-71.5	0	0	0	109.6	L148 Q154 F155 L160 L163 V172 I174	L148-F152 HydrophobicContact CD1-CD2 3.63Å; L148-F152 HydrophobicContact CD1-CE2 4.3Å; L148-F152 HydrophobicContact CG-CD2 4.47Å; L148-F152 CarbonylContact O-C 3.49Å; L148-F152 WeakPolarHBondContact O-CA 3.37Å; L148-F152 PolarHBondContact O-N 3.28Å; F152-Q154 PolarHBondContact O-N 2.93Å; F152-F155 HydrophobicContact CB-CB 4.03Å; F152-F155 HydrophobicContact CB-CD2 3.94Å; F152-F155 HydrophobicContact CB-CG 4.39Å; F152-F155 PolarHBondContact O-N 3.27Å; F152-L160 HydrophobicContact CB-CD1 3.86Å; F152-L160 HydrophobicContact CD1-CD1 4.07Å; F152-L160 HydrophobicContact CD2-CD1 3.79Å; F152-L160 HydrophobicContact CD2-CD2 4.45Å; F152-L160 HydrophobicContact CE2-CD1 4.31Å; F152-L160 HydrophobicContact CG-CD1 3.63Å; F152-L163 HydrophobicContact CD1-CD2 3.49Å; F152-L163 VanDerWaalsContact CD1-CD2 3.49Å; F152-L163 HydrophobicContact CE1-CD2 3.43Å; F152-L163 VanDerWaalsContact CE1-CD2 3.43Å; F152-L163 HydrophobicContact CZ-CD2 4.46Å; F152-V172 HydrophobicContact CZ-CG1 4.33Å; F152-I174 HydrophobicContact CE2-CD1 4.25Å; F152-I174 HydrophobicContact CE2-CG2 4.29Å
153	P	82.4	Confident	84.4	Confident	93 Å²	93	67.2 Å²	67.2	60%	0.604	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.8	-171.3	24.1	-35.2	0	0	0	114.5	K149 L151	K149-P153 WeakPolarHBondContact O-CA 3.33Å; K149-P153 WeakPolarHBondContact O-CB 3.42Å; L151-P153 VanDerWaalsContact C-CD 3.48Å
154	Q	79	Confident	84.7	Confident	170 Å²	170	67.1 Å²	67.1	79%	0.794	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.1	177.9	-57.5	-57.3	-45.4	0	0	113.3	F152	F152-Q154 PolarHBondContact O-N 2.93Å
155	F	72.9	Confident	85.2	Confident	67 Å²	67	64.3 Å²	64.3	29%	0.294	31%	0.313	S	S	.	.			trans	-119.5	141.4	-175.6	-63.3	-90.4	0	0	0	110.8	F152 N159 L160 L163	F152-F155 HydrophobicContact CB-CB 4.03Å; F152-F155 HydrophobicContact CB-CD2 3.94Å; F152-F155 HydrophobicContact CB-CG 4.39Å; F152-F155 PolarHBondContact O-N 3.27Å; F155-N159 HydrophobicContact CD1-CB 4.39Å; F155-L160 HydrophobicContact CB-CD1 3.77Å; F155-L160 HydrophobicContact CD1-CD1 4.47Å; F155-L160 HydrophobicContact CD2-CD1 4.48Å; F155-L160 HydrophobicContact CG-CD1 4.01Å; F155-L163 HydrophobicContact CE1-CB 4.24Å; F155-L163 HydrophobicContact CE2-CD2 4.27Å; F155-L163 HydrophobicContact CZ-CB 4.13Å
156	V	85.1	Confident	85.9	Confident	68 Å²	68	66.1 Å²	66.1	41%	0.412	33%	0.325	S	S	.	.			trans	-102.5	166.2	160.6	-65	0	0	0	0	108.5	D144 S158 N159 L160	D144-V156 WeakPolarHBondContact OD1-CA 3.29Å; V156-S158 WeakPolarHBondContact CG2-OG 3.23Å; V156-S158 PolarHBondContact O-N 2.91Å; V156-S158 VanDerWaalsContact O-N 3.16Å; V156-N159 HydrophobicContact CG2-CB 4.19Å; V156-N159 PolarHBondContact O-N 2.73Å; V156-L160 PolarHBondContact O-N 2.9Å; V156-L160 VanDerWaalsContact O-N 3.11Å
157	K	87.6	Confident	86.6	Confident	40 Å²	40	64.1 Å²	64.1	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-49.5	-45.9	-178.2	74	-180	-167.9	167.9	0	112	Y142 D144 L148 N159 L160 W178 E245	Y142-K157 HydrophobicContact CD1-CD 4.18Å; Y142-K157 HydrophobicContact CE1-CD 3.77Å; Y142-K157 HydrophobicContact CE1-CG 4.14Å; Y142-K157 HydrophobicContact CE2-CB 4.43Å; D144-K157 PolarHBondContact OD1-N 2.91Å; D144-K157 WeakPolarHBondContact OD2-CG 3.02Å; L148-K157 HydrophobicContact CD2-CB 4.49Å; K157-N159 PolarHBondContact O-N 2.92Å; K157-N159 VanDerWaalsContact O-N 3.08Å; K157-L160 PolarHBondContact O-N 2.86Å; K157-W178 HydrophobicContact CB-CH2 3.68Å; K157-W178 HydrophobicContact CB-CZ2 3.91Å; K157-W178 WeakPolarHBondContact O-CZ2 3.16Å; K157-E245 IonicContact NZ-OE1 2.9Å; K157-E245 IonicContact NZ-OE2 3.63Å; K157-E245 PolarHBondContact NZ-OE2 2.9Å
158	S	80.8	Confident	87.4	Confident	52 Å²	52	67.2 Å²	67.2	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-15.6	-176.3	66	0	0	0	0	114.1	V156 Y161	V156-S158 WeakPolarHBondContact CG2-OG 3.23Å; V156-S158 PolarHBondContact O-N 2.91Å; V156-S158 VanDerWaalsContact O-N 3.16Å; S158-Y161 WeakPolarHBondContact O-CD1 3.18Å; S158-Y161 WeakPolarHBondContact O-CE1 3.5Å
159	N	89.3	Confident	88.1	Confident	74 Å²	74	66.8 Å²	66.8	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-112.8	-9.7	-176.5	-66	-3	0	0	0	112.5	F155 V156 K157 Y161 H162	F155-N159 HydrophobicContact CD1-CB 4.39Å; V156-N159 HydrophobicContact CG2-CB 4.19Å; V156-N159 PolarHBondContact O-N 2.73Å; K157-N159 PolarHBondContact O-N 2.92Å; K157-N159 VanDerWaalsContact O-N 3.08Å; N159-Y161 PolarHBondContact O-N 2.9Å; N159-H162 WeakPolarHBondContact O-CB 3.47Å; N159-H162 PolarHBondContact O-N 3.18Å; N159-H162 VanDerWaalsContact O-N 3.15Å
160	L	91.2	Very high	88.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-24.4	-176.1	-165.6	69.9	0	0	0	112.2	L148 F152 F155 V156 K157 H162 L163 C164 W178	L148-L160 HydrophobicContact CD1-CD1 4.22Å; L148-L160 HydrophobicContact CD1-CD2 3.42Å; L148-L160 VanDerWaalsContact CD1-CD2 3.42Å; L148-L160 HydrophobicContact CD1-CG 4.37Å; F152-L160 HydrophobicContact CB-CD1 3.86Å; F152-L160 HydrophobicContact CD1-CD1 4.07Å; F152-L160 HydrophobicContact CD2-CD1 3.79Å; F152-L160 HydrophobicContact CD2-CD2 4.45Å; F152-L160 HydrophobicContact CE2-CD1 4.31Å; F152-L160 HydrophobicContact CG-CD1 3.63Å; F155-L160 HydrophobicContact CB-CD1 3.77Å; F155-L160 HydrophobicContact CD1-CD1 4.47Å; F155-L160 HydrophobicContact CD2-CD1 4.48Å; F155-L160 HydrophobicContact CG-CD1 4.01Å; V156-L160 PolarHBondContact O-N 2.9Å; V156-L160 VanDerWaalsContact O-N 3.11Å; K157-L160 PolarHBondContact O-N 2.86Å; L160-H162 PolarHBondContact O-N 3.3Å; L160-L163 HydrophobicContact CD1-CD2 4.42Å; L160-L163 PolarHBondContact O-N 3.16Å; L160-C164 PolarHBondContact O-N 3.27Å; L160-W178 HydrophobicContact CB-CH2 4.47Å; L160-W178 HydrophobicContact CB-CZ2 4Å; L160-W178 HydrophobicContact CD2-CD2 3.6Å; L160-W178 HydrophobicContact CD2-CE3 3.5Å; L160-W178 HydrophobicContact CD2-CG 4.25Å; L160-W178 HydrophobicContact CD2-CH2 3.93Å; L160-W178 HydrophobicContact CD2-CZ2 4.06Å; L160-W178 HydrophobicContact CD2-CZ3 3.66Å; L160-W178 HydrophobicContact CG-CD2 4.5Å
161	Y	91.7	Very high	89.6	Confident	44 Å²	44	61.5 Å²	61.5	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-31.8	175.1	82.6	-87.5	0	0	0	113	S158 N159 L163 C164 Y165 H183 L186	S158-Y161 WeakPolarHBondContact O-CD1 3.18Å; S158-Y161 WeakPolarHBondContact O-CE1 3.5Å; N159-Y161 PolarHBondContact O-N 2.9Å; Y161-L163 PolarHBondContact O-N 3.03Å; Y161-C164 PolarHBondContact O-N 3.12Å; Y161-Y165 WeakPolarHBondContact O-CB 3.22Å; Y161-Y165 PolarHBondContact O-N 3.37Å; Y161-H183 AromaticContact CD1-CE1 3.6Å; Y161-H183 AromaticContact CD1-ND1 3.66Å; Y161-H183 AromaticContact CE1-CE1 3.34Å; Y161-H183 WeakPolarHBondContact CE1-CE1 3.43Å; Y161-H183 AromaticContact CE1-ND1 3.9Å; Y161-H183 AromaticContact CE1-NE2 3.82Å; Y161-H183 AromaticContact CE2-CD2 3.97Å; Y161-H183 AromaticContact CE2-CE1 3.99Å; Y161-H183 AromaticContact CE2-NE2 3.77Å; Y161-H183 AromaticContact CG-ND1 3.76Å; Y161-H183 AromaticContact CZ-CE1 3.52Å; Y161-H183 AromaticContact CZ-NE2 3.47Å; Y161-L186 HydrophobicContact CD2-CD1 3.86Å; Y161-L186 HydrophobicContact CE2-CD1 4.05Å
162	H	92.1	Very high	90.4	Very high	115 Å²	115	61.3 Å²	61.3	53%	0.532	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-27.2	175.7	-75.4	-62.3	0	0	0	113.1	N159 L160 T166	N159-H162 WeakPolarHBondContact O-CB 3.47Å; N159-H162 PolarHBondContact O-N 3.18Å; N159-H162 VanDerWaalsContact O-N 3.15Å; L160-H162 PolarHBondContact O-N 3.3Å; H162-T166 VanDerWaalsContact O-CG2 3.27Å; H162-T166 WeakPolarHBondContact O-CG2 3.42Å
163	L	93.5	Very high	91.1	Very high	37 Å²	37	60.2 Å²	60.2	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-91.9	-54.8	172.7	176.4	62.6	0	0	0	110.4	F152 F155 L160 Y161 Y165 T166 F168 G169	F152-L163 HydrophobicContact CD1-CD2 3.49Å; F152-L163 VanDerWaalsContact CD1-CD2 3.49Å; F152-L163 HydrophobicContact CE1-CD2 3.43Å; F152-L163 VanDerWaalsContact CE1-CD2 3.43Å; F152-L163 HydrophobicContact CZ-CD2 4.46Å; F155-L163 HydrophobicContact CE1-CB 4.24Å; F155-L163 HydrophobicContact CE2-CD2 4.27Å; F155-L163 HydrophobicContact CZ-CB 4.13Å; L160-L163 HydrophobicContact CD1-CD2 4.42Å; L160-L163 PolarHBondContact O-N 3.16Å; Y161-L163 PolarHBondContact O-N 3.03Å; L163-Y165 PolarHBondContact O-N 3.21Å; L163-T166 PolarHBondContact O-N 2.85Å; L163-T166 PolarHBondContact O-OG1 3.29Å; L163-F168 HydrophobicContact CD1-CD1 4.37Å; L163-G169 WeakPolarHBondContact O-CA 3.32Å
164	C	95.9	Very high	91.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-34.8	-168.7	-75.3	0	0	0	0	113.7	L160 Y161 T166 Q170 C175 W178	L160-C164 PolarHBondContact O-N 3.27Å; Y161-C164 PolarHBondContact O-N 3.12Å; C164-T166 PolarHBondContact O-N 3.15Å; C164-T166 VanDerWaalsContact O-N 3.1Å; C164-Q170 PolarHBondContact O-NE2 3.19Å; C164-C175 WeakPolarHBondContact CA-SG 3.33Å; C164-C175 HydrophobicContact CB-CB 3.43Å; C164-C175 VanDerWaalsContact CB-CB 3.43Å; C164-C175 WeakPolarHBondContact CB-SG 2.99Å; C164-C175 WeakPolarHBondContact SG-CA 3.43Å; C164-C175 WeakPolarHBondContact SG-CB 3.17Å; C164-C175 CovalentContact SG-SG 2.05Å; C164-C175 PolarHBondContact SG-SG 2.84Å; C164-W178 HydrophobicContact CB-CB 4.15Å; C164-W178 HydrophobicContact CB-CG 4.32Å
165	Y	97.1	Very high	92.6	Very high	17 Å²	17	48.3 Å²	48.3	7%	0.067	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	50.2	177.1	-54.7	-28	0	0	0	111.4	Y161 L163 W178 D180 H183 L186 Y187	Y161-Y165 WeakPolarHBondContact O-CB 3.22Å; Y161-Y165 PolarHBondContact O-N 3.37Å; L163-Y165 PolarHBondContact O-N 3.21Å; Y165-W178 WeakPolarHBondContact CE1-O 3.3Å; Y165-W178 AromaticContact CZ-CD1 3.77Å; Y165-W178 PolarHBondContact OH-O 3.16Å; Y165-D180 HydrophobicContact CE2-CB 3.87Å; Y165-D180 WeakPolarHBondContact OH-CB 3.43Å; Y165-D180 PolarHBondContact OH-N 2.8Å; Y165-H183 HydrophobicContact CE2-CB 4.25Å; Y165-L186 HydrophobicContact CD2-CB 3.55Å; Y165-L186 HydrophobicContact CE2-CB 4.26Å; Y165-L186 HydrophobicContact CG-CB 4.18Å; Y165-Y187 HydrophobicContact CE1-CD2 4.16Å
166	T	96.6	Very high	93.9	Very high	51 Å²	51	45.2 Å²	45.2	31%	0.313	23%	0.233	S	C	.	.	S	Bend	trans	-132.9	157.9	170.1	70.9	0	0	0	0	109.8	H162 L163 C164 F168 G169 Q170	H162-T166 VanDerWaalsContact O-CG2 3.27Å; H162-T166 WeakPolarHBondContact O-CG2 3.42Å; L163-T166 PolarHBondContact O-N 2.85Å; L163-T166 PolarHBondContact O-OG1 3.29Å; C164-T166 PolarHBondContact O-N 3.15Å; C164-T166 VanDerWaalsContact O-N 3.1Å; T166-F168 PolarHBondContact O-N 3.42Å; T166-F168 VanDerWaalsContact O-N 3.16Å; T166-G169 PolarHBondContact O-N 3.37Å; T166-G169 VanDerWaalsContact O-N 3.11Å; T166-G169 PolarHBondContact OG1-N 3.2Å; T166-Q170 PolarHBondContact O-N 3Å
167	A	95.7	Very high	94.5	Very high	84 Å²	84	42.4 Å²	42.4	69%	0.694	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.8	176.9	0	0	0	0	0	113.5
168	F	95.8	Very high	95	Very high	137 Å²	137	40.5 Å²	40.5	60%	0.601	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-44.7	173.9	179.6	-97.6	0	0	0	111.4	L163 T166 Q170 R171	L163-F168 HydrophobicContact CD1-CD1 4.37Å; T166-F168 PolarHBondContact O-N 3.42Å; T166-F168 VanDerWaalsContact O-N 3.16Å; F168-Q170 VanDerWaalsContact C-N 3.28Å; F168-Q170 PolarHBondContact O-N 2.91Å; F168-R171 WeakPolarHBondContact O-CB 3.37Å; F168-R171 PolarHBondContact O-N 3.11Å
169	G	96.3	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56.2	-42.2	176.7	0	0	0	0	0	112.4	L163 T166 R171 V172 C175	L163-G169 WeakPolarHBondContact O-CA 3.32Å; T166-G169 PolarHBondContact O-N 3.37Å; T166-G169 VanDerWaalsContact O-N 3.11Å; T166-G169 PolarHBondContact OG1-N 3.2Å; G169-R171 PolarHBondContact O-N 3.31Å; G169-V172 WeakPolarHBondContact O-CB 3.22Å; G169-V172 PolarHBondContact O-N 2.96Å; G169-C175 WeakPolarHBondContact O-CB 3.39Å
170	Q	97.9	Very high	96.2	Very high	6 Å²	6	35 Å²	35	3%	0.028	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-65.7	-1.6	176.9	-67.5	-59.5	-52.9	0	0	115	C164 T166 F168 C175 N176 T190 D192	C164-Q170 PolarHBondContact O-NE2 3.19Å; T166-Q170 PolarHBondContact O-N 3Å; F168-Q170 VanDerWaalsContact C-N 3.28Å; F168-Q170 PolarHBondContact O-N 2.91Å; Q170-C175 PolarHBondContact NE2-O 3.21Å; Q170-N176 PolarHBondContact O-ND2 3.44Å; Q170-N176 PolarHBondContact OE1-ND2 2.91Å; Q170-T190 VanDerWaalsContact CD-O 3.28Å; Q170-T190 HydrophobicContact CG-CG2 4Å; Q170-T190 VanDerWaalsContact CG-O 3.27Å; Q170-T190 WeakPolarHBondContact CG-O 3.48Å; Q170-D192 WeakPolarHBondContact CB-OD2 3.49Å
171	R	97.2	Very high	96.5	Very high	176 Å²	176	35.1 Å²	35.1	66%	0.664	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-85.9	-10.2	167.9	-59.1	-179	-178.8	-170	-2.1	113.2	S81 F168 G169	S81-R171 PolarHBondContact N-O 2.97Å; F168-R171 WeakPolarHBondContact O-CB 3.37Å; F168-R171 PolarHBondContact O-N 3.11Å; G169-R171 PolarHBondContact O-N 3.31Å
172	V	96.6	Very high	96.8	Very high	34 Å²	34	37.2 Å²	37.2	21%	0.206	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-102.3	127.4	179.6	-176.7	0	0	0	0	109.5	L79 F152 G169 I174 C175 N176	L79-V172 WeakPolarHBondContact O-CA 3.49Å; F152-V172 HydrophobicContact CZ-CG1 4.33Å; G169-V172 WeakPolarHBondContact O-CB 3.22Å; G169-V172 PolarHBondContact O-N 2.96Å; V172-I174 VanDerWaalsContact C-N 3.3Å; V172-I174 PolarHBondContact O-N 2.8Å; V172-C175 WeakPolarHBondContact O-CB 3.38Å; V172-C175 PolarHBondContact O-N 2.82Å; V172-N176 PolarHBondContact O-N 2.87Å
173	S	97.8	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-52.4	-43.7	-172.8	60	0	0	0	0	113.9	S78 L79 E80 Q111 C175 N176 Y177	S78-S173 WeakPolarHBondContact O-CB 3.32Å; S78-S173 PolarHBondContact O-OG 2.85Å; L79-S173 WeakPolarHBondContact CA-OG 3.47Å; L79-S173 PolarHBondContact O-N 3.14Å; E80-S173 VanDerWaalsContact O-CB 3.29Å; E80-S173 WeakPolarHBondContact O-CB 3.28Å; Q111-S173 VanDerWaalsContact NE2-CB 3.31Å; Q111-S173 PolarHBondContact NE2-OG 3.26Å; S173-C175 VanDerWaalsContact C-N 3.28Å; S173-C175 PolarHBondContact O-N 3.05Å; S173-N176 VanDerWaalsContact O-CB 3.25Å; S173-N176 WeakPolarHBondContact O-CB 3.16Å; S173-N176 PolarHBondContact O-N 3.12Å; S173-Y177 WeakPolarHBondContact O-CD1 3.12Å; S173-Y177 WeakPolarHBondContact O-CE1 3.35Å
174	I	96.8	Very high	97.1	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.067	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-61.7	-38	-178.4	-64.2	166.2	0	0	0	112	L44 L79 L151 F152 V172 N176 Y177 W178	L44-I174 HydrophobicContact CD1-CD1 3.78Å; L44-I174 HydrophobicContact CD1-CG1 3.75Å; L44-I174 HydrophobicContact CD2-CD1 4.44Å; L44-I174 HydrophobicContact CD2-CG1 4.32Å; L79-I174 HydrophobicContact CD2-CD1 3.95Å; L79-I174 HydrophobicContact CD2-CG1 4.47Å; L151-I174 HydrophobicContact CD1-CD1 3.08Å; L151-I174 HydrophobicContact CG-CD1 4.48Å; F152-I174 HydrophobicContact CE2-CD1 4.25Å; F152-I174 HydrophobicContact CE2-CG2 4.29Å; V172-I174 VanDerWaalsContact C-N 3.3Å; V172-I174 PolarHBondContact O-N 2.8Å; I174-N176 PolarHBondContact O-N 3.18Å; I174-Y177 WeakPolarHBondContact CG1-OH 3.35Å; I174-Y177 HydrophobicContact CG2-CE2 4.49Å; I174-Y177 CarbonylContact O-C 3.55Å; I174-Y177 PolarHBondContact O-N 2.82Å; I174-W178 PolarHBondContact O-N 2.89Å
175	C	97.8	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-70.9	-21	178.3	-71.3	0	0	0	0	113	C164 G169 Q170 V172 S173 Y177	C164-C175 WeakPolarHBondContact CA-SG 3.33Å; C164-C175 HydrophobicContact CB-CB 3.43Å; C164-C175 VanDerWaalsContact CB-CB 3.43Å; C164-C175 WeakPolarHBondContact CB-SG 2.99Å; C164-C175 WeakPolarHBondContact SG-CA 3.43Å; C164-C175 WeakPolarHBondContact SG-CB 3.17Å; C164-C175 CovalentContact SG-SG 2.05Å; C164-C175 PolarHBondContact SG-SG 2.84Å; G169-C175 WeakPolarHBondContact O-CB 3.39Å; Q170-C175 PolarHBondContact NE2-O 3.21Å; V172-C175 WeakPolarHBondContact O-CB 3.38Å; V172-C175 PolarHBondContact O-N 2.82Å; S173-C175 VanDerWaalsContact C-N 3.28Å; S173-C175 PolarHBondContact O-N 3.05Å; C175-Y177 PolarHBondContact O-N 2.62Å
176	N	98.6	Very high	97.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.011	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-70.8	-16.3	175.4	-67.3	156.6	0	0	0	113.3	S81 M82 Q170 V172 S173 I174 S191 Y193 L194	S81-N176 WeakPolarHBondContact CA-OD1 3.13Å; M82-N176 HydrophobicContact CB-CB 4.04Å; M82-N176 HydrophobicContact CG-CB 3.58Å; M82-N176 PolarHBondContact N-OD1 2.73Å; Q170-N176 PolarHBondContact O-ND2 3.44Å; Q170-N176 PolarHBondContact OE1-ND2 2.91Å; V172-N176 PolarHBondContact O-N 2.87Å; S173-N176 VanDerWaalsContact O-CB 3.25Å; S173-N176 WeakPolarHBondContact O-CB 3.16Å; S173-N176 PolarHBondContact O-N 3.12Å; I174-N176 PolarHBondContact O-N 3.18Å; N176-S191 PolarHBondContact O-OG 3.06Å; N176-Y193 HydrophobicContact CB-CG 4.41Å; N176-L194 VanDerWaalsContact O-CB 3.3Å; N176-L194 WeakPolarHBondContact O-CB 3.45Å; N176-L194 PolarHBondContact O-N 2.75Å
177	Y	98.3	Very high	97.1	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.031	21%	0.209	C	C	.	.	S	Bend	trans	-131.4	17.6	174.7	59.4	-98.7	0	0	0	113.6	M82 Q111 L114 P137 G140 Q141 S173 I174 C175 N179	M82-Y177 HydrophobicContact CE-CD1 4.47Å; M82-Y177 HydrophobicContact CG-CD1 4.15Å; M82-Y177 HydrophobicContact CG-CE1 4.46Å; M82-Y177 HydrophobicContact SD-CD1 4.15Å; M82-Y177 HydrophobicContact SD-CE1 4.01Å; Q111-Y177 HydrophobicContact CG-CE1 3.89Å; Q111-Y177 VanDerWaalsContact NE2-CE1 3.29Å; Q111-Y177 PolarHBondContact NE2-OH 3.12Å; L114-Y177 HydrophobicContact CD1-CD1 3.55Å; L114-Y177 HydrophobicContact CD1-CD2 4.12Å; L114-Y177 HydrophobicContact CD1-CE1 4.26Å; L114-Y177 HydrophobicContact CD1-CG 3.46Å; L114-Y177 VanDerWaalsContact CD1-CG 3.46Å; P137-Y177 HydrophobicContact CB-CD2 4.44Å; P137-Y177 HydrophobicContact CG-CD2 4.01Å; P137-Y177 HydrophobicContact CG-CE2 3.92Å; G140-Y177 CarbonylContact C-O 3.28Å; G140-Y177 VanDerWaalsContact CA-O 3.24Å; G140-Y177 WeakPolarHBondContact CA-O 3.39Å; Q141-Y177 HydrophobicContact CB-CD2 3.97Å; Q141-Y177 HydrophobicContact CB-CE2 4.08Å; Q141-Y177 PolarHBondContact N-O 3.26Å; S173-Y177 WeakPolarHBondContact O-CD1 3.12Å; S173-Y177 WeakPolarHBondContact O-CE1 3.35Å; I174-Y177 WeakPolarHBondContact CG1-OH 3.35Å; I174-Y177 HydrophobicContact CG2-CE2 4.49Å; I174-Y177 CarbonylContact O-C 3.55Å; I174-Y177 PolarHBondContact O-N 2.82Å; C175-Y177 PolarHBondContact O-N 2.62Å; Y177-N179 PolarHBondContact O-N 3.36Å
178	W	98.4	Very high	97.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-67.9	113.1	166.6	-173.8	-103.4	0	0	0	108.9	Q141 Y142 L148 K157 L160 C164 Y165 I174 Y187	Q141-W178 HydrophobicContact CB-CE3 4.47Å; Q141-W178 HydrophobicContact CG-CE3 4.25Å; Q141-W178 HydrophobicContact CG-CZ3 4.05Å; Q141-W178 VanDerWaalsContact O-CE3 3.28Å; Y142-W178 AromaticContact CD2-CE2 3.67Å; Y142-W178 AromaticContact CD2-CH2 3.97Å; Y142-W178 HydrophobicContact CD2-CH2 3.97Å; Y142-W178 AromaticContact CD2-CZ2 3.25Å; Y142-W178 HydrophobicContact CD2-CZ2 3.25Å; Y142-W178 AromaticContact CD2-NE1 3.99Å; Y142-W178 AromaticContact CE2-CZ2 3.58Å; Y142-W178 HydrophobicContact CE2-CZ2 3.58Å; Y142-W178 HydrophobicContact CG-CZ2 4.2Å; L148-W178 HydrophobicContact CD1-CZ3 4.3Å; K157-W178 HydrophobicContact CB-CH2 3.68Å; K157-W178 HydrophobicContact CB-CZ2 3.91Å; K157-W178 WeakPolarHBondContact O-CZ2 3.16Å; L160-W178 HydrophobicContact CB-CH2 4.47Å; L160-W178 HydrophobicContact CB-CZ2 4Å; L160-W178 HydrophobicContact CD2-CD2 3.6Å; L160-W178 HydrophobicContact CD2-CE3 3.5Å; L160-W178 HydrophobicContact CD2-CG 4.25Å; L160-W178 HydrophobicContact CD2-CH2 3.93Å; L160-W178 HydrophobicContact CD2-CZ2 4.06Å; L160-W178 HydrophobicContact CD2-CZ3 3.66Å; L160-W178 HydrophobicContact CG-CD2 4.5Å; C164-W178 HydrophobicContact CB-CB 4.15Å; C164-W178 HydrophobicContact CB-CG 4.32Å; Y165-W178 WeakPolarHBondContact CE1-O 3.3Å; Y165-W178 AromaticContact CZ-CD1 3.77Å; Y165-W178 PolarHBondContact OH-O 3.16Å; I174-W178 PolarHBondContact O-N 2.89Å; W178-Y187 VanDerWaalsContact O-CD2 3.31Å; W178-Y187 WeakPolarHBondContact O-CD2 3.5Å
179	N	97.7	Very high	97.2	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.048	19%	0.186	C	C	.	.			trans	-115.2	84.3	-174.1	-174.4	9.6	0	0	0	109.5	A139 Q141 Y142 Y177 P181 R184 Y187 L194 F240	A139-N179 PolarHBondContact O-ND2 3.02Å; Q141-N179 PolarHBondContact O-N 3.42Å; Y142-N179 WeakPolarHBondContact CB-O 3.4Å; Y177-N179 PolarHBondContact O-N 3.36Å; N179-P181 WeakPolarHBondContact O-CD 3.41Å; N179-R184 PolarHBondContact OD1-NH1 3.46Å; N179-Y187 HydrophobicContact CB-CD2 4.49Å; N179-Y187 HydrophobicContact CB-CE2 4.07Å; N179-L194 HydrophobicContact CB-CD2 3.95Å; N179-F240 HydrophobicContact CB-CE1 3.78Å; N179-F240 HydrophobicContact CB-CE2 4.3Å; N179-F240 HydrophobicContact CB-CZ 3.57Å; N179-F240 VanDerWaalsContact CG-CE1 3.41Å; N179-F240 WeakPolarHBondContact ND2-CD1 3.25Å; N179-F240 WeakPolarHBondContact ND2-CE1 3.28Å; N179-F240 WeakPolarHBondContact O-CE1 3.43Å; N179-F240 WeakPolarHBondContact O-CZ 3.41Å
180	D	97.8	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.			trans	-77.6	114.5	-179.1	-168.6	-22.7	0	0	0	110.3	Y142 Y165 H182 H183	Y142-D180 HydrophobicContact CD2-CB 4.14Å; Y142-D180 HydrophobicContact CE2-CB 4Å; Y142-D180 VanDerWaalsContact CE2-CG 3.49Å; Y142-D180 WeakPolarHBondContact CE2-OD1 3.03Å; Y165-D180 HydrophobicContact CE2-CB 3.87Å; Y165-D180 WeakPolarHBondContact OH-CB 3.43Å; Y165-D180 PolarHBondContact OH-N 2.8Å; D180-H182 PolarHBondContact O-N 2.83Å; D180-H182 WeakPolarHBondContact OD1-CB 3.43Å; D180-H182 IonicContact OD1-CD2 3.63Å; D180-H182 IonicContact OD1-CG 3.17Å; D180-H182 PolarHBondContact OD1-N 2.62Å; D180-H183 HydrophobicContact CB-CB 4.28Å; D180-H183 PolarHBondContact O-N 2.74Å; D180-H183 IonicContact OD1-ND1 2.65Å; D180-H183 IonicContact OD2-CE1 3.58Å; D180-H183 IonicContact OD2-CG 2.87Å; D180-H183 IonicContact OD2-ND1 3.31Å; D180-H183 PolarHBondContact OD2-ND1 2.93Å
181	P	96.9	Very high	97.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.019	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.3	178.7	29.2	-33.7	0	0	0	112.6	Y142 N179 R184 D242 E245	Y142-P181 HydrophobicContact CD1-CG 4.05Å; Y142-P181 HydrophobicContact CE1-CG 4.12Å; Y142-P181 HydrophobicContact CG-CG 4.42Å; N179-P181 WeakPolarHBondContact O-CD 3.41Å; P181-R184 WeakPolarHBondContact O-CG 3.34Å; P181-D242 WeakPolarHBondContact CB-O 3.3Å; P181-E245 HydrophobicContact CG-CG 4.32Å
182	H	97.6	Very high	97.1	Very high	88 Å²	88	35.2 Å²	35.2	41%	0.407	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.6	-177.5	-56	-69.4	0	0	0	113.5	Y142 D180 D243 E245	Y142-H182 AromaticContact CZ-CD2 3.88Å; Y142-H182 PolarHBondContact OH-CD2 3.03Å; D180-H182 PolarHBondContact O-N 2.83Å; D180-H182 WeakPolarHBondContact OD1-CB 3.43Å; D180-H182 IonicContact OD1-CD2 3.63Å; D180-H182 IonicContact OD1-CG 3.17Å; D180-H182 PolarHBondContact OD1-N 2.62Å; H182-D243 PolarHBondContact CE1-O 3.15Å; H182-D243 PolarHBondContact ND1-O 2.76Å; H182-E245 IonicContact CD2-OE1 3.91Å; H182-E245 IonicContact CE1-OE1 3.9Å; H182-E245 WeakPolarHBondContact NE2-CG 3.46Å; H182-E245 IonicContact NE2-OE1 2.74Å; H182-E245 PolarHBondContact NE2-OE1 2.98Å
183	H	97	Very high	97.1	Very high	55 Å²	55	33.6 Å²	33.6	26%	0.255	17%	0.171	S	C	.	.			trans	-128.8	45.5	-177.2	-63.3	104	0	0	0	111.4	Y161 Y165 D180 D185 L186 Y187	Y161-H183 AromaticContact CD1-CE1 3.6Å; Y161-H183 AromaticContact CD1-ND1 3.66Å; Y161-H183 AromaticContact CE1-CE1 3.34Å; Y161-H183 WeakPolarHBondContact CE1-CE1 3.43Å; Y161-H183 AromaticContact CE1-ND1 3.9Å; Y161-H183 AromaticContact CE1-NE2 3.82Å; Y161-H183 AromaticContact CE2-CD2 3.97Å; Y161-H183 AromaticContact CE2-CE1 3.99Å; Y161-H183 AromaticContact CE2-NE2 3.77Å; Y161-H183 AromaticContact CG-ND1 3.76Å; Y161-H183 AromaticContact CZ-CE1 3.52Å; Y161-H183 AromaticContact CZ-NE2 3.47Å; Y165-H183 HydrophobicContact CE2-CB 4.25Å; D180-H183 HydrophobicContact CB-CB 4.28Å; D180-H183 PolarHBondContact O-N 2.74Å; D180-H183 IonicContact OD1-ND1 2.65Å; D180-H183 IonicContact OD2-CE1 3.58Å; D180-H183 IonicContact OD2-CG 2.87Å; D180-H183 IonicContact OD2-ND1 3.31Å; D180-H183 PolarHBondContact OD2-ND1 2.93Å; H183-D185 VanDerWaalsContact C-N 3.33Å; H183-D185 PolarHBondContact O-N 2.95Å; H183-L186 HydrophobicContact CB-CB 4.34Å; H183-L186 HydrophobicContact CB-CD1 4.25Å; H183-L186 PolarHBondContact O-N 3.16Å; H183-Y187 PolarHBondContact O-N 3.11Å
184	R	95.7	Very high	97.2	Very high	69 Å²	69	33.6 Å²	33.6	26%	0.26	17%	0.171	S	C	.	.	H	α-helix	trans	-52	-45.7	-176.1	-63.8	-58.3	-56.8	136.2	5	113.5	N179 P181 L186 Y187 V188 E200	N179-R184 PolarHBondContact OD1-NH1 3.46Å; P181-R184 WeakPolarHBondContact O-CG 3.34Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-L186 PolarHBondContact O-N 3.04Å; R184-Y187 WeakPolarHBondContact O-CB 3.11Å; R184-Y187 PolarHBondContact O-N 2.87Å; R184-V188 WeakPolarHBondContact O-CG2 3.31Å; R184-V188 PolarHBondContact O-N 3.18Å; R184-E200 IonicContact CZ-OE2 3.76Å; R184-E200 IonicContact NH2-OE2 2.65Å; R184-E200 PolarHBondContact NH2-OE2 3.07Å
185	D	96	Very high	97.2	Very high	129 Å²	129	33 Å²	33	69%	0.69	17%	0.168	S	C	*	.	H	α-helix	trans	-63	-39.4	179.6	-71.8	-18.3	0	0	0	112.3	H183 N189	H183-D185 VanDerWaalsContact C-N 3.33Å; H183-D185 PolarHBondContact O-N 2.95Å; D185-N189 VanDerWaalsContact O-CB 3.28Å; D185-N189 WeakPolarHBondContact O-CB 3.21Å; D185-N189 VanDerWaalsContact O-CG 3.27Å; D185-N189 PolarHBondContact O-N 3.26Å; D185-N189 VanDerWaalsContact O-N 3.16Å; D185-N189 PolarHBondContact O-ND2 3.31Å
186	L	96.8	Very high	97.2	Very high	77 Å²	77	34.2 Å²	34.2	40%	0.403	17%	0.174	S	C	.	.	H	α-helix	trans	-68.4	-43	176.1	-71	175	0	0	0	111	Y161 Y165 H183 R184 N189 T190	Y161-L186 HydrophobicContact CD2-CD1 3.86Å; Y161-L186 HydrophobicContact CE2-CD1 4.05Å; Y165-L186 HydrophobicContact CD2-CB 3.55Å; Y165-L186 HydrophobicContact CE2-CB 4.26Å; Y165-L186 HydrophobicContact CG-CB 4.18Å; H183-L186 HydrophobicContact CB-CB 4.34Å; H183-L186 HydrophobicContact CB-CD1 4.25Å; H183-L186 PolarHBondContact O-N 3.16Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-L186 PolarHBondContact O-N 3.04Å; L186-N189 PolarHBondContact O-N 2.89Å; L186-T190 WeakPolarHBondContact O-CB 3.37Å; L186-T190 PolarHBondContact O-N 3.43Å; L186-T190 PolarHBondContact O-OG1 3.04Å
187	Y	97.4	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.4	-56	175.1	165.4	-95.5	0	0	0	111.5	Y165 W178 N179 H183 R184 N189 T190 S191 L194 A195 E200	Y165-Y187 HydrophobicContact CE1-CD2 4.16Å; W178-Y187 VanDerWaalsContact O-CD2 3.31Å; W178-Y187 WeakPolarHBondContact O-CD2 3.5Å; N179-Y187 HydrophobicContact CB-CD2 4.49Å; N179-Y187 HydrophobicContact CB-CE2 4.07Å; H183-Y187 PolarHBondContact O-N 3.11Å; R184-Y187 WeakPolarHBondContact O-CB 3.11Å; R184-Y187 PolarHBondContact O-N 2.87Å; Y187-N189 PolarHBondContact O-N 3.31Å; Y187-T190 PolarHBondContact O-N 3.01Å; Y187-S191 WeakPolarHBondContact O-CB 3.15Å; Y187-S191 PolarHBondContact O-N 3.17Å; Y187-L194 HydrophobicContact CE2-CB 4.34Å; Y187-L194 HydrophobicContact CE2-CD2 4.06Å; Y187-L194 HydrophobicContact CE2-CG 4.5Å; Y187-L194 WeakPolarHBondContact OH-CD2 3.25Å; Y187-L194 VanDerWaalsContact OH-CG 3.27Å; Y187-L194 WeakPolarHBondContact OH-CG 3.37Å; Y187-A195 HydrophobicContact CD1-CB 4.3Å; Y187-A195 HydrophobicContact CE1-CB 3.66Å; Y187-A195 HydrophobicContact CE2-CB 4.33Å; Y187-A195 WeakPolarHBondContact OH-CA 3.46Å; Y187-A195 PolarHBondContact OH-N 3.36Å; Y187-A195 VanDerWaalsContact OH-N 3.13Å; Y187-E200 VanDerWaalsContact CE1-OE2 3.28Å; Y187-E200 WeakPolarHBondContact CE1-OE2 3.23Å; Y187-E200 PolarHBondContact OH-OE1 2.96Å
188	V	96.3	Very high	97	Very high	33 Å²	33	34 Å²	34	20%	0.2	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-38.4	-175.7	171.7	0	0	0	0	110.7	R184 E200 R201	R184-V188 WeakPolarHBondContact O-CG2 3.31Å; R184-V188 PolarHBondContact O-N 3.18Å; V188-E200 HydrophobicContact CG2-CB 4.44Å; V188-R201 HydrophobicContact CG1-CB 4.4Å; V188-R201 WeakPolarHBondContact O-CD 3.5Å
189	N	95.9	Very high	96.9	Very high	114 Å²	114	35.5 Å²	35.5	61%	0.61	18%	0.184	S	C	*	.	H	α-helix	trans	-78.6	-28.4	-177.5	-71.1	-44.1	0	0	0	113.5	D185 L186 Y187 R201	D185-N189 VanDerWaalsContact O-CB 3.28Å; D185-N189 WeakPolarHBondContact O-CB 3.21Å; D185-N189 VanDerWaalsContact O-CG 3.27Å; D185-N189 PolarHBondContact O-N 3.26Å; D185-N189 VanDerWaalsContact O-N 3.16Å; D185-N189 PolarHBondContact O-ND2 3.31Å; L186-N189 PolarHBondContact O-N 2.89Å; Y187-N189 PolarHBondContact O-N 3.31Å; N189-R201 PolarHBondContact O-NH1 3.12Å
190	T	96.2	Very high	96.8	Very high	34 Å²	34	38 Å²	38	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-114	-25.1	-169	-47.9	0	0	0	0	114.5	Q170 L186 Y187 D192	Q170-T190 VanDerWaalsContact CD-O 3.28Å; Q170-T190 HydrophobicContact CG-CG2 4Å; Q170-T190 VanDerWaalsContact CG-O 3.27Å; Q170-T190 WeakPolarHBondContact CG-O 3.48Å; L186-T190 WeakPolarHBondContact O-CB 3.37Å; L186-T190 PolarHBondContact O-N 3.43Å; L186-T190 PolarHBondContact O-OG1 3.04Å; Y187-T190 PolarHBondContact O-N 3.01Å; T190-D192 PolarHBondContact O-N 3.11Å
191	S	97.3	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.			trans	-64.4	106.8	178.4	163.2	0	0	0	0	110.3	N176 Y187 Y193 L194 A195	N176-S191 PolarHBondContact O-OG 3.06Å; Y187-S191 WeakPolarHBondContact O-CB 3.15Å; Y187-S191 PolarHBondContact O-N 3.17Å; S191-Y193 PolarHBondContact O-N 3.4Å; S191-L194 PolarHBondContact OG-N 2.93Å; S191-A195 PolarHBondContact OG-N 3.3Å
192	D	95.9	Very high	95.9	Very high	70 Å²	70	46.6 Å²	46.6	37%	0.374	24%	0.244	S	C	.	.	S	Bend	trans	-73.8	-17.4	-177	-78	-28.4	0	0	0	113.3	W83 Q170 T190 R201	W83-D192 PolarHBondContact NE1-O 3.38Å; Q170-D192 WeakPolarHBondContact CB-OD2 3.49Å; T190-D192 PolarHBondContact O-N 3.11Å; D192-R201 IonicContact OD1-NH1 3.76Å; D192-R201 IonicContact OD1-NH2 3.79Å
193	Y	98.2	Very high	95.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-117.5	-71.7	-175.7	-168.8	-97.3	0	0	0	112.9	M82 W83 V86 L114 N176 S191 A195 L196 I197	M82-Y193 HydrophobicContact CB-CD1 3.83Å; M82-Y193 HydrophobicContact CB-CD2 3.38Å; M82-Y193 HydrophobicContact CB-CE1 4.01Å; M82-Y193 HydrophobicContact CB-CE2 3.6Å; M82-Y193 HydrophobicContact CB-CG 3.5Å; M82-Y193 HydrophobicContact CE-CD1 4.4Å; M82-Y193 HydrophobicContact CE-CE1 3.79Å; M82-Y193 HydrophobicContact CG-CD1 4.1Å; M82-Y193 HydrophobicContact CG-CD2 4.48Å; M82-Y193 HydrophobicContact CG-CE1 4.35Å; M82-Y193 HydrophobicContact CG-CG 4.17Å; W83-Y193 AromaticContact CD1-CD2 3.88Å; W83-Y193 AromaticContact CD2-CD2 3.65Å; W83-Y193 HydrophobicContact CD2-CD2 3.65Å; W83-Y193 AromaticContact CD2-CE2 3.87Å; W83-Y193 HydrophobicContact CD2-CE2 3.87Å; W83-Y193 AromaticContact CE2-CD2 3.45Å; W83-Y193 VanDerWaalsContact CE2-CD2 3.45Å; W83-Y193 AromaticContact CE2-CE2 3.95Å; W83-Y193 HydrophobicContact CE3-CD2 4.23Å; W83-Y193 AromaticContact CE3-CE2 3.97Å; W83-Y193 HydrophobicContact CE3-CE2 3.97Å; W83-Y193 AromaticContact CG-CD2 3.9Å; W83-Y193 HydrophobicContact CG-CD2 3.9Å; W83-Y193 HydrophobicContact CG-CE2 4.41Å; W83-Y193 HydrophobicContact CH2-CD2 4.41Å; W83-Y193 HydrophobicContact CH2-CE2 4.2Å; W83-Y193 AromaticContact CZ2-CD2 3.85Å; W83-Y193 HydrophobicContact CZ2-CD2 3.85Å; W83-Y193 HydrophobicContact CZ2-CE2 4.11Å; W83-Y193 HydrophobicContact CZ3-CE2 4.14Å; W83-Y193 AromaticContact NE1-CD2 3.62Å; V86-Y193 HydrophobicContact CG2-CE2 3.76Å; V86-Y193 WeakPolarHBondContact CG2-OH 3.48Å; L114-Y193 VanDerWaalsContact C-OH 3.29Å; L114-Y193 HydrophobicContact CB-CE1 4.07Å; L114-Y193 PolarHBondContact O-OH 2.63Å; N176-Y193 HydrophobicContact CB-CG 4.41Å; S191-Y193 PolarHBondContact O-N 3.4Å; Y193-A195 PolarHBondContact O-N 3.5Å; Y193-L196 WeakPolarHBondContact O-CA 3.29Å; Y193-L196 WeakPolarHBondContact O-CB 3.33Å; Y193-L196 PolarHBondContact O-N 3.33Å; Y193-I197 HydrophobicContact CD1-CD1 3.88Å; Y193-I197 HydrophobicContact CD1-CG1 4.44Å; Y193-I197 HydrophobicContact CE1-CD1 3.36Å; Y193-I197 HydrophobicContact CE1-CG1 4.34Å; Y193-I197 WeakPolarHBondContact O-CG1 3.34Å; Y193-I197 PolarHBondContact O-N 2.9Å
194	L	98.5	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-51.4	-167.5	-174	69.9	0	0	0	112.3	L114 N176 N179 Y187 S191 L196 I197 N198	L114-L194 HydrophobicContact CD2-CD1 4.04Å; N176-L194 VanDerWaalsContact O-CB 3.3Å; N176-L194 WeakPolarHBondContact O-CB 3.45Å; N176-L194 PolarHBondContact O-N 2.75Å; N179-L194 HydrophobicContact CB-CD2 3.95Å; Y187-L194 HydrophobicContact CE2-CB 4.34Å; Y187-L194 HydrophobicContact CE2-CD2 4.06Å; Y187-L194 HydrophobicContact CE2-CG 4.5Å; Y187-L194 WeakPolarHBondContact OH-CD2 3.25Å; Y187-L194 VanDerWaalsContact OH-CG 3.27Å; Y187-L194 WeakPolarHBondContact OH-CG 3.37Å; S191-L194 PolarHBondContact OG-N 2.93Å; L194-L196 PolarHBondContact O-N 3.18Å; L194-L196 VanDerWaalsContact O-N 3.16Å; L194-I197 WeakPolarHBondContact O-CG1 3.43Å; L194-I197 PolarHBondContact O-N 3.4Å; L194-N198 VanDerWaalsContact O-CB 3.23Å; L194-N198 WeakPolarHBondContact O-CB 3.38Å; L194-N198 VanDerWaalsContact O-CG 3.27Å; L194-N198 PolarHBondContact O-N 3.03Å
195	A	97.4	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.4	-31.2	175.5	0	0	0	0	0	112.8	Y187 S191 Y193 S199 E200 R201	Y187-A195 HydrophobicContact CD1-CB 4.3Å; Y187-A195 HydrophobicContact CE1-CB 3.66Å; Y187-A195 HydrophobicContact CE2-CB 4.33Å; Y187-A195 WeakPolarHBondContact OH-CA 3.46Å; Y187-A195 PolarHBondContact OH-N 3.36Å; Y187-A195 VanDerWaalsContact OH-N 3.13Å; S191-A195 PolarHBondContact OG-N 3.3Å; Y193-A195 PolarHBondContact O-N 3.5Å; A195-S199 PolarHBondContact O-N 3.29Å; A195-E200 HydrophobicContact CB-CB 4.34Å; A195-E200 PolarHBondContact O-N 3.08Å; A195-R201 PolarHBondContact O-N 3.22Å
196	L	96.7	Very high	95.3	Very high	26 Å²	26	42.2 Å²	42.2	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-76	-49.6	179.9	-170.2	65.4	0	0	0	111.7	W83 Y193 L194 N198 S199 N203 W209	W83-L196 HydrophobicContact CZ2-CD2 3.9Å; Y193-L196 WeakPolarHBondContact O-CA 3.29Å; Y193-L196 WeakPolarHBondContact O-CB 3.33Å; Y193-L196 PolarHBondContact O-N 3.33Å; L194-L196 PolarHBondContact O-N 3.18Å; L194-L196 VanDerWaalsContact O-N 3.16Å; L196-N198 VanDerWaalsContact C-N 3.26Å; L196-N198 PolarHBondContact O-N 2.85Å; L196-S199 PolarHBondContact O-N 3.2Å; L196-S199 VanDerWaalsContact O-N 3.09Å; L196-N203 HydrophobicContact CD1-CB 3.74Å; L196-W209 HydrophobicContact CD2-CH2 3.89Å; L196-W209 HydrophobicContact CD2-CZ3 4.36Å; L196-W209 HydrophobicContact CG-CH2 3.93Å; L196-W209 HydrophobicContact CG-CZ3 3.92Å
197	I	97.1	Very high	95.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-72.6	-20.4	178.9	65.3	170.9	0	0	0	112.7	W83 R117 Y193 L194 S199 W209	W83-I197 HydrophobicContact CH2-CG2 3.56Å; W83-I197 HydrophobicContact CZ2-CG2 3.66Å; R117-I197 VanDerWaalsContact NH1-CD1 3.31Å; Y193-I197 HydrophobicContact CD1-CD1 3.88Å; Y193-I197 HydrophobicContact CD1-CG1 4.44Å; Y193-I197 HydrophobicContact CE1-CD1 3.36Å; Y193-I197 HydrophobicContact CE1-CG1 4.34Å; Y193-I197 WeakPolarHBondContact O-CG1 3.34Å; Y193-I197 PolarHBondContact O-N 2.9Å; L194-I197 WeakPolarHBondContact O-CG1 3.43Å; L194-I197 PolarHBondContact O-N 3.4Å; I197-S199 VanDerWaalsContact C-N 3.29Å; I197-W209 HydrophobicContact CG2-CE3 4.47Å; I197-W209 HydrophobicContact CG2-CZ3 3.89Å
198	N	97.4	Very high	95.3	Very high	3 Å²	3	47 Å²	47	2%	0.016	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.4	170.6	-70.4	-4.4	0	0	0	113.2	R117 L194 L196 E200 V260 F261	R117-N198 PolarHBondContact NH1-OD1 3.29Å; R117-N198 PolarHBondContact NH2-OD1 2.97Å; L194-N198 VanDerWaalsContact O-CB 3.23Å; L194-N198 WeakPolarHBondContact O-CB 3.38Å; L194-N198 VanDerWaalsContact O-CG 3.27Å; L194-N198 PolarHBondContact O-N 3.03Å; L196-N198 VanDerWaalsContact C-N 3.26Å; L196-N198 PolarHBondContact O-N 2.85Å; N198-E200 HydrophobicContact CB-CG 3.76Å; N198-E200 WeakPolarHBondContact CB-OE1 3.05Å; N198-E200 PolarHBondContact ND2-OE1 3.42Å; N198-E200 PolarHBondContact O-N 2.86Å; N198-V260 VanDerWaalsContact O-CG2 3.25Å; N198-V260 WeakPolarHBondContact O-CG2 3.44Å; N198-F261 HydrophobicContact CB-CE1 4.22Å
199	S	95.4	Very high	95.4	Very high	33 Å²	33	46.6 Å²	46.6	23%	0.231	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	29.7	-176.4	-56.3	0	0	0	0	113.9	A195 L196 I197	A195-S199 PolarHBondContact O-N 3.29Å; L196-S199 PolarHBondContact O-N 3.2Å; L196-S199 VanDerWaalsContact O-N 3.09Å; I197-S199 VanDerWaalsContact C-N 3.29Å
200	E	95	Very high	95.5	Very high	61 Å²	61	43.7 Å²	43.7	29%	0.285	24%	0.244	S	C	.	.	S	Bend	trans	-79.5	-26.6	174.1	-59.8	176.4	-106.9	0	0	110.7	R184 Y187 V188 A195 N198	R184-E200 IonicContact CZ-OE2 3.76Å; R184-E200 IonicContact NH2-OE2 2.65Å; R184-E200 PolarHBondContact NH2-OE2 3.07Å; Y187-E200 VanDerWaalsContact CE1-OE2 3.28Å; Y187-E200 WeakPolarHBondContact CE1-OE2 3.23Å; Y187-E200 PolarHBondContact OH-OE1 2.96Å; V188-E200 HydrophobicContact CG2-CB 4.44Å; A195-E200 HydrophobicContact CB-CB 4.34Å; A195-E200 PolarHBondContact O-N 3.08Å; N198-E200 HydrophobicContact CB-CG 3.76Å; N198-E200 WeakPolarHBondContact CB-OE1 3.05Å; N198-E200 PolarHBondContact ND2-OE1 3.42Å; N198-E200 PolarHBondContact O-N 2.86Å
201	R	89.7	Confident	95.7	Very high	58 Å²	58	47.6 Å²	47.6	22%	0.219	26%	0.26	C	S	.	.	S	Bend	trans	-104.3	138.1	167.9	-174.8	170.6	63.8	-172.7	1	109.8	V188 N189 D192 A195 N203	V188-R201 HydrophobicContact CG1-CB 4.4Å; V188-R201 WeakPolarHBondContact O-CD 3.5Å; N189-R201 PolarHBondContact O-NH1 3.12Å; D192-R201 IonicContact OD1-NH1 3.76Å; D192-R201 IonicContact OD1-NH2 3.79Å; A195-R201 PolarHBondContact O-N 3.22Å; R201-N203 PolarHBondContact O-N 3.18Å
202	P	86.5	Confident	95.7	Very high	127 Å²	127	47.7 Å²	47.7	83%	0.825	26%	0.26	S	S	*	.			trans	-53.3	130	174.7	-27.1	35	0	0	0	112.1
203	N	88.1	Confident	95.9	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.102	24%	0.243	C	C	.	.			trans	-137.8	122.3	-179.8	174.9	8.6	0	0	0	108.5	L196 R201 N205 S206 W209	L196-N203 HydrophobicContact CD1-CB 3.74Å; R201-N203 PolarHBondContact O-N 3.18Å; N203-N205 PolarHBondContact O-N 3.02Å; N203-N205 VanDerWaalsContact O-N 3.11Å; N203-N205 PolarHBondContact OD1-N 3.03Å; N203-S206 WeakPolarHBondContact O-CB 3.24Å; N203-S206 PolarHBondContact O-N 3.34Å; N203-S206 VanDerWaalsContact O-N 3.13Å; N203-S206 PolarHBondContact O-OG 2.87Å; N203-S206 VanDerWaalsContact O-OG 3.13Å; N203-W209 WeakPolarHBondContact ND2-CH2 3.47Å; N203-W209 WeakPolarHBondContact ND2-CZ3 3.49Å
204	P	93.5	Very high	95.9	Very high	123 Å²	123	46.2 Å²	46.2	80%	0.799	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.4	178.3	25.4	-34.9	0	0	0	113.2
205	N	96.2	Very high	95.9	Very high	73 Å²	73	50.1 Å²	50.1	39%	0.39	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.4	-177.6	-55	-24.4	0	0	0	113.2	N203 T207 E208 W209	N203-N205 PolarHBondContact O-N 3.02Å; N203-N205 VanDerWaalsContact O-N 3.11Å; N203-N205 PolarHBondContact OD1-N 3.03Å; N205-T207 VanDerWaalsContact C-N 3.25Å; N205-T207 PolarHBondContact O-N 3.43Å; N205-E208 PolarHBondContact O-N 3.48Å; N205-W209 HydrophobicContact CB-CD2 4.41Å; N205-W209 HydrophobicContact CB-CG 4.4Å; N205-W209 HydrophobicContact CB-CZ2 4.36Å; N205-W209 WeakPolarHBondContact O-CB 3.38Å; N205-W209 VanDerWaalsContact O-CD1 3.27Å; N205-W209 VanDerWaalsContact O-CG 3.28Å; N205-W209 PolarHBondContact O-N 3.24Å
206	S	95.4	Very high	96	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-35.8	-172.8	60.7	0	0	0	0	113.3	N203 W209 K210	N203-S206 WeakPolarHBondContact O-CB 3.24Å; N203-S206 PolarHBondContact O-N 3.34Å; N203-S206 VanDerWaalsContact O-N 3.13Å; N203-S206 PolarHBondContact O-OG 2.87Å; N203-S206 VanDerWaalsContact O-OG 3.13Å; S206-W209 PolarHBondContact O-N 2.79Å; S206-K210 WeakPolarHBondContact O-CB 3.41Å; S206-K210 PolarHBondContact O-N 2.81Å
207	T	96.9	Very high	96	Very high	92 Å²	92	53 Å²	53	56%	0.564	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-50.9	177	-55.9	0	0	0	0	111.1	N205 W209 K210 E211	N205-T207 VanDerWaalsContact C-N 3.25Å; N205-T207 PolarHBondContact O-N 3.43Å; T207-W209 VanDerWaalsContact C-N 3.29Å; T207-W209 PolarHBondContact O-N 2.63Å; T207-K210 WeakPolarHBondContact O-CB 3.08Å; T207-K210 PolarHBondContact O-N 3.17Å; T207-E211 WeakPolarHBondContact O-CG 3.38Å; T207-E211 PolarHBondContact O-N 3.08Å
208	E	98.2	Very high	96.1	Very high	86 Å²	86	55.3 Å²	55.3	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-40.4	177	-172.6	-172.6	169.9	0	0	110.9	N205 K210 E211 N212	N205-E208 PolarHBondContact O-N 3.48Å; E208-K210 VanDerWaalsContact C-N 3.32Å; E208-K210 PolarHBondContact O-N 2.96Å; E208-E211 WeakPolarHBondContact O-CB 3.31Å; E208-E211 PolarHBondContact O-N 2.93Å; E208-E211 VanDerWaalsContact O-N 3.16Å; E208-N212 WeakPolarHBondContact O-CB 3.38Å; E208-N212 PolarHBondContact O-N 2.75Å; E208-N212 PolarHBondContact O-ND2 2.63Å; E208-N212 PolarHBondContact O-OD1 2.79Å
209	W	98.3	Very high	96.2	Very high	23 Å²	23	55.2 Å²	55.2	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-38.4	179	-71.3	8.5	0	0	0	113	W83 S121 I122 L196 I197 N203 N205 S206 T207 F213	W83-W209 AromaticContact CH2-CH2 3.62Å; W83-W209 HydrophobicContact CH2-CH2 3.62Å; W83-W209 HydrophobicContact CH2-CZ2 4.25Å; W83-W209 HydrophobicContact CH2-CZ3 4.08Å; W83-W209 AromaticContact CZ2-CH2 3.83Å; W83-W209 HydrophobicContact CZ2-CH2 3.83Å; W83-W209 HydrophobicContact CZ2-CZ3 4.3Å; S121-W209 VanDerWaalsContact O-CA 3.3Å; S121-W209 WeakPolarHBondContact O-CA 3.43Å; I122-W209 HydrophobicContact CG2-CD2 4.38Å; I122-W209 HydrophobicContact CG2-CZ2 3.85Å; L196-W209 HydrophobicContact CD2-CH2 3.89Å; L196-W209 HydrophobicContact CD2-CZ3 4.36Å; L196-W209 HydrophobicContact CG-CH2 3.93Å; L196-W209 HydrophobicContact CG-CZ3 3.92Å; I197-W209 HydrophobicContact CG2-CE3 4.47Å; I197-W209 HydrophobicContact CG2-CZ3 3.89Å; N203-W209 WeakPolarHBondContact ND2-CH2 3.47Å; N203-W209 WeakPolarHBondContact ND2-CZ3 3.49Å; N205-W209 HydrophobicContact CB-CD2 4.41Å; N205-W209 HydrophobicContact CB-CG 4.4Å; N205-W209 HydrophobicContact CB-CZ2 4.36Å; N205-W209 WeakPolarHBondContact O-CB 3.38Å; N205-W209 VanDerWaalsContact O-CD1 3.27Å; N205-W209 VanDerWaalsContact O-CG 3.28Å; N205-W209 PolarHBondContact O-N 3.24Å; S206-W209 PolarHBondContact O-N 2.79Å; T207-W209 VanDerWaalsContact C-N 3.29Å; T207-W209 PolarHBondContact O-N 2.63Å; W209-F213 WeakPolarHBondContact O-CB 3.23Å; W209-F213 PolarHBondContact O-N 3.03Å
210	K	98.4	Very high	96.3	Very high	54 Å²	54	53.7 Å²	53.7	24%	0.235	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-47.7	171.6	175.5	174.5	176.8	174.2	0	111.2	S206 T207 E208 N212 F213 L214 D259	S206-K210 WeakPolarHBondContact O-CB 3.41Å; S206-K210 PolarHBondContact O-N 2.81Å; T207-K210 WeakPolarHBondContact O-CB 3.08Å; T207-K210 PolarHBondContact O-N 3.17Å; E208-K210 VanDerWaalsContact C-N 3.32Å; E208-K210 PolarHBondContact O-N 2.96Å; K210-N212 VanDerWaalsContact C-N 3.28Å; K210-N212 PolarHBondContact O-N 2.89Å; K210-F213 PolarHBondContact O-N 3.31Å; K210-L214 HydrophobicContact CG-CD1 3.93Å; K210-L214 HydrophobicContact CG-CG 4.49Å; K210-L214 WeakPolarHBondContact O-CB 3.43Å; K210-L214 VanDerWaalsContact O-CG 3.29Å; K210-L214 WeakPolarHBondContact O-CG 3.49Å; K210-L214 PolarHBondContact O-N 3.2Å; K210-D259 WeakPolarHBondContact CD-O 3.02Å; K210-D259 VanDerWaalsContact CE-O 3.24Å; K210-D259 WeakPolarHBondContact CE-O 3.39Å; K210-D259 WeakPolarHBondContact CE-OD2 3.45Å; K210-D259 PolarHBondContact NZ-O 3.36Å; K210-D259 IonicContact NZ-OD2 3.77Å; K210-D259 PolarHBondContact NZ-OD2 3.19Å
211	E	98.6	Very high	96.5	Very high	116 Å²	116	50.8 Å²	50.8	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-41	178.6	-72.2	174.8	-177.4	0	0	111.8	T207 E208	T207-E211 WeakPolarHBondContact O-CG 3.38Å; T207-E211 PolarHBondContact O-N 3.08Å; E208-E211 WeakPolarHBondContact O-CB 3.31Å; E208-E211 PolarHBondContact O-N 2.93Å; E208-E211 VanDerWaalsContact O-N 3.16Å
212	N	98.8	Very high	97	Very high	2 Å²	2	48 Å²	48	1%	0.011	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-49.5	176	-66.6	-18.1	0	0	0	111.2	L120 S121 P124 H126 E208 K210 L214 K215	L120-N212 CarbonylContact O-C 3.37Å; L120-N212 VanDerWaalsContact O-C 3.28Å; L120-N212 WeakPolarHBondContact O-CB 3.24Å; S121-N212 VanDerWaalsContact O-CB 3.25Å; S121-N212 WeakPolarHBondContact O-CB 3.42Å; S121-N212 PolarHBondContact O-ND2 3.12Å; P124-N212 VanDerWaalsContact CA-OD1 3.25Å; P124-N212 WeakPolarHBondContact CA-OD1 3.09Å; P124-N212 WeakPolarHBondContact CB-OD1 3.2Å; H126-N212 PolarHBondContact NE2-O 2.71Å; E208-N212 WeakPolarHBondContact O-CB 3.38Å; E208-N212 PolarHBondContact O-N 2.75Å; E208-N212 PolarHBondContact O-ND2 2.63Å; E208-N212 PolarHBondContact O-OD1 2.79Å; K210-N212 VanDerWaalsContact C-N 3.28Å; K210-N212 PolarHBondContact O-N 2.89Å; N212-L214 PolarHBondContact O-N 3.49Å; N212-K215 VanDerWaalsContact O-CB 3.31Å; N212-K215 WeakPolarHBondContact O-CB 3.18Å; N212-K215 PolarHBondContact O-N 3.26Å; N212-K215 PolarHBondContact OD1-NZ 3.1Å
213	F	98.8	Very high	97.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-37.1	179.8	-171.2	-108.5	0	0	0	111.9	R117 L120 F131 W209 K210 K215 I216 L219 F261 L266	R117-F213 HydrophobicContact CG-CD2 4.32Å; R117-F213 HydrophobicContact CG-CE2 3.83Å; R117-F213 HydrophobicContact CG-CZ 4.47Å; L120-F213 HydrophobicContact CB-CD2 3.9Å; L120-F213 HydrophobicContact CB-CE2 4.38Å; L120-F213 HydrophobicContact CD1-CE2 4.32Å; L120-F213 PolarHBondContact O-N 2.86Å; F131-F213 HydrophobicContact CD1-CE2 4.14Å; F131-F213 HydrophobicContact CD1-CZ 4.42Å; F131-F213 HydrophobicContact CE1-CE2 4.17Å; F131-F213 HydrophobicContact CE1-CZ 4.47Å; W209-F213 WeakPolarHBondContact O-CB 3.23Å; W209-F213 PolarHBondContact O-N 3.03Å; K210-F213 PolarHBondContact O-N 3.31Å; F213-K215 PolarHBondContact O-N 3.01Å; F213-K215 VanDerWaalsContact O-N 3.16Å; F213-I216 HydrophobicContact CE1-CD1 4.16Å; F213-I216 HydrophobicContact CE2-CD1 4.1Å; F213-I216 HydrophobicContact CZ-CD1 3.89Å; F213-I216 VanDerWaalsContact O-CG1 3.31Å; F213-I216 WeakPolarHBondContact O-CG1 3.43Å; F213-I216 PolarHBondContact O-N 2.92Å; F213-L219 HydrophobicContact CE1-CD2 4.16Å; F213-L219 HydrophobicContact CZ-CD2 3.94Å; F213-F261 HydrophobicContact CD1-CD2 4.47Å; F213-F261 VanDerWaalsContact CD1-O 3.26Å; F213-F261 WeakPolarHBondContact CD1-O 3.33Å; F213-F261 HydrophobicContact CE1-CD2 4.42Å; F213-L266 HydrophobicContact CD1-CD1 4.18Å; F213-L266 HydrophobicContact CE1-CD1 3.64Å; F213-L266 HydrophobicContact CZ-CD1 4.49Å
214	L	98.8	Very high	98.1	Very high	38 Å²	38	41 Å²	41	20%	0.199	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.5	178.4	-75	172.4	0	0	0	115.5	K210 N212 I216 G262 L266 R269	K210-L214 HydrophobicContact CG-CD1 3.93Å; K210-L214 HydrophobicContact CG-CG 4.49Å; K210-L214 WeakPolarHBondContact O-CB 3.43Å; K210-L214 VanDerWaalsContact O-CG 3.29Å; K210-L214 WeakPolarHBondContact O-CG 3.49Å; K210-L214 PolarHBondContact O-N 3.2Å; N212-L214 PolarHBondContact O-N 3.49Å; L214-I216 VanDerWaalsContact C-N 3.26Å; L214-I216 PolarHBondContact O-N 3.34Å; L214-G262 WeakPolarHBondContact CD2-O 3.43Å; L214-L266 HydrophobicContact CD2-CD2 4.07Å; L214-L266 HydrophobicContact CD2-CG 3.91Å; L214-R269 PolarHBondContact O-NH1 3.35Å
215	K	98.7	Very high	98.3	Very high	82 Å²	82	38 Å²	38	36%	0.357	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.7	175	-67.9	167.8	-175.5	160.4	0	113	P124 N212 F213 Q217	P124-K215 WeakPolarHBondContact O-CD 3.46Å; P124-K215 WeakPolarHBondContact O-CE 3.35Å; P124-K215 PolarHBondContact O-NZ 3.08Å; N212-K215 VanDerWaalsContact O-CB 3.31Å; N212-K215 WeakPolarHBondContact O-CB 3.18Å; N212-K215 PolarHBondContact O-N 3.26Å; N212-K215 PolarHBondContact OD1-NZ 3.1Å; F213-K215 PolarHBondContact O-N 3.01Å; F213-K215 VanDerWaalsContact O-N 3.16Å; K215-Q217 PolarHBondContact O-NE2 3.48Å
216	I	98.6	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.			trans	-61.2	145.1	172.1	70.2	-171.1	0	0	0	110.1	L120 V128 F131 F213 L214 L219 L266 R269	L120-I216 HydrophobicContact CD1-CG2 3.95Å; L120-I216 HydrophobicContact CD2-CG2 3.82Å; L120-I216 HydrophobicContact CG-CG2 4.39Å; V128-I216 HydrophobicContact CB-CG2 4.31Å; V128-I216 HydrophobicContact CG1-CG2 4.44Å; V128-I216 WeakPolarHBondContact O-CA 3.35Å; F131-I216 HydrophobicContact CB-CD1 4.35Å; F131-I216 HydrophobicContact CB-CG2 4.46Å; F131-I216 HydrophobicContact CD1-CD1 4.37Å; F213-I216 HydrophobicContact CE1-CD1 4.16Å; F213-I216 HydrophobicContact CE2-CD1 4.1Å; F213-I216 HydrophobicContact CZ-CD1 3.89Å; F213-I216 VanDerWaalsContact O-CG1 3.31Å; F213-I216 WeakPolarHBondContact O-CG1 3.43Å; F213-I216 PolarHBondContact O-N 2.92Å; L214-I216 VanDerWaalsContact C-N 3.26Å; L214-I216 PolarHBondContact O-N 3.34Å; I216-L219 HydrophobicContact CD1-CB 3.94Å; I216-L266 HydrophobicContact CD1-CD1 3.99Å; I216-L266 HydrophobicContact CG1-CD1 4.42Å; I216-L266 HydrophobicContact CG1-CD2 4.08Å; I216-R269 PolarHBondContact O-NH2 3.19Å
217	Q	98.2	Very high	98.5	Very high	86 Å²	86	37 Å²	37	40%	0.402	19%	0.185	S	C	.	.	S	Bend	trans	-90	-31.2	177.4	-56.8	-55.8	-50.4	0	0	112	H129 K215 D271	H129-Q217 CarbonylContact O-C 3.58Å; H129-Q217 WeakPolarHBondContact O-CA 3.5Å; H129-Q217 VanDerWaalsContact O-CB 3.3Å; H129-Q217 WeakPolarHBondContact O-CB 2.99Å; H129-Q217 PolarHBondContact O-N 3.09Å; K215-Q217 PolarHBondContact O-NE2 3.48Å; Q217-D271 WeakPolarHBondContact O-CB 3.4Å
218	K	98.8	Very high	98.3	Very high	51 Å²	51	35.7 Å²	35.7	22%	0.222	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.2	179.6	-52.9	-69.2	164.9	-168.8	0	109.7	H129 F131 D271 F273 W299	H129-K218 PolarHBondContact O-N 2.97Å; F131-K218 PolarHBondContact N-O 3.5Å; K218-D271 IonicContact NZ-OD1 3.93Å; K218-D271 PolarHBondContact NZ-OD1 2.95Å; K218-F273 HydrophobicContact CD-CD2 4.46Å; K218-F273 HydrophobicContact CD-CE2 3.57Å; K218-F273 HydrophobicContact CD-CZ 4.28Å; K218-W299 HydrophobicContact CD-CZ3 4.35Å; K218-W299 HydrophobicContact CG-CE3 4.49Å
219	L	98.9	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.9	166.3	176.4	54.3	0	0	0	108.5	F131 F213 I216 L221 L263 L266 D271 L272 F273	F131-L219 HydrophobicContact CB-CD1 4.47Å; F131-L219 HydrophobicContact CD1-CD1 3.45Å; F131-L219 VanDerWaalsContact CD1-CD1 3.45Å; F131-L219 HydrophobicContact CE1-CD1 3.8Å; F131-L219 HydrophobicContact CG-CD1 4.11Å; F131-L219 WeakPolarHBondContact O-CA 3.5Å; F213-L219 HydrophobicContact CE1-CD2 4.16Å; F213-L219 HydrophobicContact CZ-CD2 3.94Å; I216-L219 HydrophobicContact CD1-CB 3.94Å; L219-L221 HydrophobicContact CD1-CD2 3.69Å; L219-L221 HydrophobicContact CD1-CG 4.4Å; L219-L221 HydrophobicContact CD2-CD2 4.32Å; L219-L221 HydrophobicContact CG-CD2 3.92Å; L219-L221 HydrophobicContact CG-CG 4.14Å; L219-L263 HydrophobicContact CD2-CD2 3.67Å; L219-L266 HydrophobicContact CB-CD1 4.12Å; L219-L266 HydrophobicContact CD2-CD1 3.82Å; L219-D271 PolarHBondContact N-O 3.45Å; L219-L272 HydrophobicContact CB-CD1 4.17Å; L219-L272 HydrophobicContact CD2-CD1 3.69Å; L219-L272 HydrophobicContact CG-CD1 3.8Å; L219-F273 PolarHBondContact O-N 3.25Å
220	V	98.9	Very high	98.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.6	-179.5	-172	0	0	0	0	108.6	F131 I132 S133 I222 F273 W299	F131-V220 PolarHBondContact O-N 3.33Å; I132-V220 HydrophobicContact CB-CB 4.45Å; I132-V220 HydrophobicContact CG1-CB 4.16Å; I132-V220 HydrophobicContact CG1-CG2 4.24Å; I132-V220 HydrophobicContact CG2-CB 4.35Å; I132-V220 HydrophobicContact CG2-CG1 4.49Å; S133-V220 PolarHBondContact N-O 3.3Å; V220-I222 HydrophobicContact CG1-CD1 4.27Å; V220-I222 HydrophobicContact CG1-CG1 3.97Å; V220-F273 HydrophobicContact CG2-CB 4.49Å; V220-W299 HydrophobicContact CG2-CB 4.35Å; V220-W299 HydrophobicContact CG2-CD2 3.84Å; V220-W299 HydrophobicContact CG2-CG 3.68Å; V220-W299 HydrophobicContact CG2-CZ2 4.45Å
221	L	98.9	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.8	-177.6	-58.4	-179.9	0	0	0	109.4	L219 Q237 F238 L272 F273 F274 C275	L219-L221 HydrophobicContact CD1-CD2 3.69Å; L219-L221 HydrophobicContact CD1-CG 4.4Å; L219-L221 HydrophobicContact CD2-CD2 4.32Å; L219-L221 HydrophobicContact CG-CD2 3.92Å; L219-L221 HydrophobicContact CG-CG 4.14Å; L221-Q237 HydrophobicContact CB-CG 4.04Å; L221-F238 HydrophobicContact CD1-CD2 3.65Å; L221-F238 HydrophobicContact CD1-CE2 4.05Å; L221-F238 HydrophobicContact CD2-CD2 4.32Å; L221-F238 HydrophobicContact CD2-CE2 4Å; L221-L272 HydrophobicContact CD1-CD1 3.68Å; L221-L272 HydrophobicContact CG-CD1 4.13Å; L221-F273 PolarHBondContact N-O 3.27Å; L221-F274 HydrophobicContact CB-CD1 4.27Å; L221-F274 HydrophobicContact CD1-CD1 4.15Å; L221-F274 HydrophobicContact CD1-CE1 3.72Å; L221-F274 HydrophobicContact CD1-CZ 4.39Å; L221-C275 PolarHBondContact O-N 3.05Å
222	I	98.9	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.7	-176.6	-51.8	174.9	0	0	0	108.9	I132 S133 L134 S135 V220 C275 W285 V291 C295 I296	I132-I222 HydrophobicContact CG2-CD1 3.46Å; I132-I222 VanDerWaalsContact CG2-CD1 3.46Å; I132-I222 HydrophobicContact CG2-CG1 4.32Å; S133-I222 PolarHBondContact O-N 3.38Å; L134-I222 HydrophobicContact CD1-CB 3.96Å; L134-I222 HydrophobicContact CD1-CD1 3.86Å; L134-I222 HydrophobicContact CD1-CG1 4.5Å; L134-I222 HydrophobicContact CD1-CG2 3.79Å; S135-I222 WeakPolarHBondContact CA-O 3.39Å; S135-I222 PolarHBondContact N-O 3.45Å; V220-I222 HydrophobicContact CG1-CD1 4.27Å; V220-I222 HydrophobicContact CG1-CG1 3.97Å; I222-C275 WeakPolarHBondContact CA-O 3.23Å; I222-C275 HydrophobicContact CG1-CB 4.13Å; I222-W285 HydrophobicContact CG2-CE3 4.14Å; I222-W285 HydrophobicContact CG2-CZ3 4.05Å; I222-V291 HydrophobicContact CG2-CG1 4.27Å; I222-C295 HydrophobicContact CD1-CB 3.57Å; I222-C295 HydrophobicContact CG1-CB 3.95Å; I222-C295 HydrophobicContact CG2-CB 4.19Å; I222-I296 HydrophobicContact CD1-CD1 4.33Å; I222-I296 HydrophobicContact CD1-CG1 3.64Å
223	G	98.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-172.9	173	0	0	0	0	0	111.8	S236 C275 T276 V277 W285	G223-S236 WeakPolarHBondContact CA-OG 3.49Å; G223-C275 PolarHBondContact N-O 3.46Å; G223-C275 VanDerWaalsContact N-O 3.14Å; G223-T276 CarbonylContact O-C 3.57Å; G223-T276 VanDerWaalsContact O-CA 3.26Å; G223-T276 WeakPolarHBondContact O-CA 3.21Å; G223-V277 PolarHBondContact O-N 3.32Å; G223-W285 WeakPolarHBondContact O-CH2 3.15Å
224	G	98.5	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.			trans	-175.3	162.8	-178.3	0	0	0	0	0	114.9	D226 D227 W233 V277	G224-D226 VanDerWaalsContact C-N 3.27Å; G224-D226 PolarHBondContact O-N 3.26Å; G224-D227 WeakPolarHBondContact O-CB 3.17Å; G224-D227 PolarHBondContact O-N 3.08Å; G224-W233 VanDerWaalsContact O-CB 3.32Å; G224-W233 WeakPolarHBondContact O-CB 3.18Å; G224-V277 WeakPolarHBondContact CA-O 3.48Å
225	P	98.1	Very high	98	Very high	59 Å²	59	29.2 Å²	29.2	38%	0.383	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.8	-171.8	24.7	-34.7	0	0	0	114.6	W233 P278	P225-W233 HydrophobicContact CB-CD2 4.44Å; P225-W233 HydrophobicContact CB-CZ2 4.28Å; P225-P278 HydrophobicContact CG-CB 4.1Å
226	D	98	Very high	98	Very high	84 Å²	84	25.3 Å²	25.3	45%	0.449	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12.4	-175.7	-57.5	-79.4	0	0	0	113.4	G224 G228 G279 V280 K281	G224-D226 VanDerWaalsContact C-N 3.27Å; G224-D226 PolarHBondContact O-N 3.26Å; D226-G228 VanDerWaalsContact C-N 3.29Å; D226-G228 PolarHBondContact O-N 2.86Å; D226-G279 PolarHBondContact OD2-N 2.69Å; D226-V280 CarbonylContact C-O 3.48Å; D226-V280 VanDerWaalsContact C-O 3.31Å; D226-K281 WeakPolarHBondContact O-CA 3.31Å
227	D	97.6	Very high	98	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.15	C	C	.	.			trans	-52.6	-47.2	179.3	178.9	-75.9	0	0	0	111.3	S135 G224 V229 I230 W233 V280 H282 W285	S135-D227 PolarHBondContact OG-OD2 2.97Å; G224-D227 WeakPolarHBondContact O-CB 3.17Å; G224-D227 PolarHBondContact O-N 3.08Å; D227-V229 PolarHBondContact O-N 2.81Å; D227-V229 WeakPolarHBondContact OD1-CA 3.27Å; D227-V229 PolarHBondContact OD1-N 3.45Å; D227-I230 PolarHBondContact OD1-N 3.29Å; D227-W233 HydrophobicContact CB-CB 4.49Å; D227-V280 WeakPolarHBondContact CA-O 3.29Å; D227-V280 PolarHBondContact N-O 3.16Å; D227-H282 VanDerWaalsContact CG-ND1 3.35Å; D227-H282 WeakPolarHBondContact O-CB 3.45Å; D227-H282 PolarHBondContact O-N 3Å; D227-H282 WeakPolarHBondContact OD1-CB 3.36Å; D227-H282 IonicContact OD1-CG 2.81Å; D227-H282 IonicContact OD1-ND1 3.74Å; D227-H282 PolarHBondContact OD1-ND1 2.91Å; D227-H282 IonicContact OD2-CE1 2.62Å; D227-H282 IonicContact OD2-CG 2.63Å; D227-H282 IonicContact OD2-ND1 2.79Å; D227-H282 PolarHBondContact OD2-ND1 3.21Å; D227-W285 HydrophobicContact CB-CZ2 4.38Å; D227-W285 PolarHBondContact OD2-NE1 2.71Å
228	G	93.1	Very high	98	Very high	64 Å²	64	22.5 Å²	22.5	66%	0.66	13%	0.131	S	C	*	.	S	Bend	trans	74.1	2.9	173.3	0	0	0	0	0	115.5	D226	D226-G228 VanDerWaalsContact C-N 3.29Å; D226-G228 PolarHBondContact O-N 2.86Å
229	V	95.3	Very high	98	Very high	26 Å²	26	20.2 Å²	20.2	16%	0.158	12%	0.122	C	C	.	.	S	Bend	trans	-125.1	-57	173.4	178.2	0	0	0	0	110.5	Q141 T145 Y147 D227 T231 H282	Q141-V229 PolarHBondContact NE2-O 2.86Å; T145-V229 WeakPolarHBondContact CG2-O 3.24Å; Y147-V229 HydrophobicContact CD2-CG1 4.2Å; Y147-V229 HydrophobicContact CD2-CG2 4.11Å; Y147-V229 HydrophobicContact CE2-CG2 4.24Å; D227-V229 PolarHBondContact O-N 2.81Å; D227-V229 WeakPolarHBondContact OD1-CA 3.27Å; D227-V229 PolarHBondContact OD1-N 3.45Å; V229-T231 PolarHBondContact O-N 2.82Å; V229-T231 VanDerWaalsContact O-N 3.12Å; V229-T231 PolarHBondContact O-OG1 3.04Å; V229-H282 HydrophobicContact CB-CB 3.76Å; V229-H282 HydrophobicContact CG2-CB 3.52Å
230	I	97.5	Very high	98	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.036	12%	0.124	C	C	.	.	S	Bend	trans	-63.6	118.7	177.4	-55.3	-55.3	0	0	0	108.7	S135 P137 D227 P232 W233	S135-I230 WeakPolarHBondContact O-CG1 3.26Å; P137-I230 HydrophobicContact CB-CD1 4.08Å; P137-I230 HydrophobicContact CB-CG2 4.36Å; P137-I230 HydrophobicContact CG-CD1 4.15Å; D227-I230 PolarHBondContact OD1-N 3.29Å; I230-P232 CarbonylContact O-C 3.59Å; I230-W233 VanDerWaalsContact O-CA 3.24Å; I230-W233 WeakPolarHBondContact O-CA 3.45Å; I230-W233 PolarHBondContact O-N 2.9Å; I230-W233 VanDerWaalsContact O-N 3.14Å
231	T	97.2	Very high	97.9	Very high	33 Å²	33	22.7 Å²	22.7	20%	0.202	13%	0.132	C	C	.	.	S	Bend	trans	-133.7	119.4	-174.6	-49.5	0	0	0	0	110.2	Y142 V229	Y142-T231 CarbonylContact C-O 3.58Å; Y142-T231 PolarHBondContact N-O 3.16Å; Y142-T231 WeakPolarHBondContact O-CG2 3.37Å; V229-T231 PolarHBondContact O-N 2.82Å; V229-T231 VanDerWaalsContact O-N 3.12Å; V229-T231 PolarHBondContact O-OG1 3.04Å
232	P	98	Very high	97.8	Very high	4 Å²	4	25 Å²	25	3%	0.026	14%	0.144	C	C	.	.	S	Bend	cis	-65.8	149.8	-8.8	29.3	-29.1	0	0	0	110.6	I230 Q234 S235 F240 Y241 V247	I230-P232 CarbonylContact O-C 3.59Å; P232-Q234 PolarHBondContact O-N 3.2Å; P232-Q234 VanDerWaalsContact O-N 3.14Å; P232-S235 WeakPolarHBondContact O-CB 3.48Å; P232-S235 PolarHBondContact O-N 2.9Å; P232-F240 VanDerWaalsContact CD-CE2 3.43Å; P232-F240 HydrophobicContact CG-CD2 3.92Å; P232-F240 HydrophobicContact CG-CE2 4.18Å; P232-Y241 HydrophobicContact CB-CE1 3.97Å; P232-Y241 HydrophobicContact CB-CE2 4.02Å; P232-Y241 VanDerWaalsContact CD-CE2 3.44Å; P232-Y241 HydrophobicContact CG-CD1 4.34Å; P232-Y241 HydrophobicContact CG-CD2 4.01Å; P232-Y241 HydrophobicContact CG-CE1 4.23Å; P232-Y241 HydrophobicContact CG-CE2 3.87Å; P232-Y241 HydrophobicContact CG-CG 4.25Å; P232-V247 HydrophobicContact CB-CG2 3.73Å; P232-V247 HydrophobicContact CG-CG2 4.27Å
233	W	98.3	Very high	97.6	Very high	66 Å²	66	30.2 Å²	30.2	25%	0.25	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.5	-178.3	68.3	-96.8	0	0	0	112.1	G224 P225 D227 I230 S235 S236 T276	G224-W233 VanDerWaalsContact O-CB 3.32Å; G224-W233 WeakPolarHBondContact O-CB 3.18Å; P225-W233 HydrophobicContact CB-CD2 4.44Å; P225-W233 HydrophobicContact CB-CZ2 4.28Å; D227-W233 HydrophobicContact CB-CB 4.49Å; I230-W233 VanDerWaalsContact O-CA 3.24Å; I230-W233 WeakPolarHBondContact O-CA 3.45Å; I230-W233 PolarHBondContact O-N 2.9Å; I230-W233 VanDerWaalsContact O-N 3.14Å; W233-S235 PolarHBondContact O-N 2.99Å; W233-S235 VanDerWaalsContact O-N 3.09Å; W233-S236 WeakPolarHBondContact O-CB 3.04Å; W233-S236 PolarHBondContact O-N 3.23Å; W233-S236 VanDerWaalsContact O-N 3.08Å; W233-S236 PolarHBondContact O-OG 3.15Å; W233-T276 HydrophobicContact CH2-CG2 4.02Å; W233-T276 HydrophobicContact CZ3-CG2 3.95Å
234	Q	98.7	Very high	97.5	Very high	48 Å²	48	36.6 Å²	36.6	22%	0.224	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.8	-15.6	174.5	-63.9	90	-27.6	0	0	113	P232 S236 Q237 F238 G239 V247	P232-Q234 PolarHBondContact O-N 3.2Å; P232-Q234 VanDerWaalsContact O-N 3.14Å; Q234-S236 PolarHBondContact O-N 2.05Å; Q234-Q237 CarbonylContact O-C 3.6Å; Q234-Q237 VanDerWaalsContact O-C 3.29Å; Q234-Q237 WeakPolarHBondContact O-CA 3.35Å; Q234-Q237 PolarHBondContact O-N 2.85Å; Q234-F238 PolarHBondContact O-N 3.21Å; Q234-G239 CarbonylContact C-O 3.58Å; Q234-G239 VanDerWaalsContact C-O 3.24Å; Q234-G239 WeakPolarHBondContact O-CA 3.08Å; Q234-G239 PolarHBondContact O-N 2.98Å; Q234-V247 HydrophobicContact CB-CG1 3.77Å; Q234-V247 HydrophobicContact CG-CG1 3.78Å
235	S	98.8	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.4	-28.4	171.7	-175.3	0	0	0	0	112.1	P137 Q138 A139 G140 P232 W233 Q237 F238 G239	P137-S235 VanDerWaalsContact C-OG 3.26Å; P137-S235 WeakPolarHBondContact CA-OG 3.37Å; Q138-S235 VanDerWaalsContact CB-O 3.3Å; Q138-S235 WeakPolarHBondContact CB-O 3.47Å; Q138-S235 PolarHBondContact N-O 3.36Å; Q138-S235 PolarHBondContact N-OG 3.23Å; A139-S235 PolarHBondContact N-O 3.01Å; A139-S235 PolarHBondContact N-OG 3.49Å; G140-S235 PolarHBondContact N-OG 3.49Å; G140-S235 WeakPolarHBondContact O-CB 3.3Å; G140-S235 PolarHBondContact O-OG 3.11Å; P232-S235 WeakPolarHBondContact O-CB 3.48Å; P232-S235 PolarHBondContact O-N 2.9Å; W233-S235 PolarHBondContact O-N 2.99Å; W233-S235 VanDerWaalsContact O-N 3.09Å; S235-Q237 PolarHBondContact O-N 3.26Å; S235-Q237 VanDerWaalsContact O-N 3.16Å; S235-F238 PolarHBondContact O-N 3.26Å; S235-F238 VanDerWaalsContact O-N 3.12Å; S235-G239 WeakPolarHBondContact CA-O 3.4Å; S235-G239 PolarHBondContact N-O 2.93Å
236	S	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-56	-24.7	167.9	62.6	0	0	0	0	115.2	A136 G223 W233 Q234	A136-S236 WeakPolarHBondContact O-CA 3.31Å; A136-S236 PolarHBondContact O-N 2.96Å; G223-S236 WeakPolarHBondContact CA-OG 3.49Å; W233-S236 WeakPolarHBondContact O-CB 3.04Å; W233-S236 PolarHBondContact O-N 3.23Å; W233-S236 VanDerWaalsContact O-N 3.08Å; W233-S236 PolarHBondContact O-OG 3.15Å; Q234-S236 PolarHBondContact O-N 2.05Å
237	Q	98.7	Very high	97.4	Very high	25 Å²	25	38.6 Å²	38.6	12%	0.117	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-120.5	26.8	-178.2	-65.5	-177.9	-7.8	0	0	111.3	L221 Q234 S235 G239 F274 C275 T276	L221-Q237 HydrophobicContact CB-CG 4.04Å; Q234-Q237 CarbonylContact O-C 3.6Å; Q234-Q237 VanDerWaalsContact O-C 3.29Å; Q234-Q237 WeakPolarHBondContact O-CA 3.35Å; Q234-Q237 PolarHBondContact O-N 2.85Å; S235-Q237 PolarHBondContact O-N 3.26Å; S235-Q237 VanDerWaalsContact O-N 3.16Å; Q237-G239 PolarHBondContact O-N 3.26Å; Q237-G239 VanDerWaalsContact O-N 3.12Å; Q237-F274 HydrophobicContact CB-CD1 3.79Å; Q237-F274 HydrophobicContact CB-CE1 4.01Å; Q237-F274 HydrophobicContact CG-CD1 3.86Å; Q237-C275 PolarHBondContact NE2-O 3.31Å; Q237-T276 PolarHBondContact NE2-OG1 3.42Å; Q237-T276 PolarHBondContact OE1-OG1 2.89Å
238	F	98.6	Very high	97.4	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	8.4	-176.3	-71.7	-86.8	0	0	0	115.7	Q138 L221 Q234 S235 I250 Q253 L255 F261 L263	Q138-F238 HydrophobicContact CB-CD1 3.84Å; Q138-F238 HydrophobicContact CB-CD2 4Å; Q138-F238 HydrophobicContact CB-CE1 3.68Å; Q138-F238 HydrophobicContact CB-CE2 3.84Å; Q138-F238 HydrophobicContact CB-CG 4Å; Q138-F238 HydrophobicContact CB-CZ 3.68Å; Q138-F238 HydrophobicContact CG-CE2 4.06Å; Q138-F238 HydrophobicContact CG-CZ 4.11Å; L221-F238 HydrophobicContact CD1-CD2 3.65Å; L221-F238 HydrophobicContact CD1-CE2 4.05Å; L221-F238 HydrophobicContact CD2-CD2 4.32Å; L221-F238 HydrophobicContact CD2-CE2 4Å; Q234-F238 PolarHBondContact O-N 3.21Å; S235-F238 PolarHBondContact O-N 3.26Å; S235-F238 VanDerWaalsContact O-N 3.12Å; F238-I250 HydrophobicContact CB-CB 4.23Å; F238-I250 HydrophobicContact CB-CD1 3.71Å; F238-I250 HydrophobicContact CB-CG1 3.73Å; F238-I250 HydrophobicContact CD2-CD1 4.23Å; F238-I250 HydrophobicContact CG-CD1 4.28Å; F238-Q253 PolarHBondContact O-NE2 2.89Å; F238-L255 HydrophobicContact CD1-CD1 4.47Å; F238-F261 HydrophobicContact CD1-CZ 4.19Å; F238-F261 AromaticContact CE1-CE2 3.87Å; F238-F261 HydrophobicContact CE1-CE2 3.87Å; F238-F261 AromaticContact CE1-CZ 3.65Å; F238-F261 HydrophobicContact CE1-CZ 3.65Å; F238-F261 HydrophobicContact CZ-CE2 4.01Å; F238-F261 HydrophobicContact CZ-CZ 4.27Å; F238-L263 HydrophobicContact CD1-CD1 4.04Å; F238-L263 HydrophobicContact CD2-CD1 4.1Å; F238-L263 HydrophobicContact CD2-CD2 4.1Å; F238-L263 HydrophobicContact CE1-CD1 4.15Å; F238-L263 HydrophobicContact CE2-CD1 4.22Å; F238-L263 HydrophobicContact CE2-CD2 3.77Å; F238-L263 HydrophobicContact CG-CD1 4.01Å; F238-L263 HydrophobicContact CZ-CD1 4.24Å; F238-L263 HydrophobicContact CZ-CD2 4.22Å
239	G	98.5	Very high	97.6	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	22%	0.223	C	C	.	.			trans	-72.1	141.3	169.2	0	0	0	0	0	111.4	Q234 S235 Q237 I248 Q253	Q234-G239 CarbonylContact C-O 3.58Å; Q234-G239 VanDerWaalsContact C-O 3.24Å; Q234-G239 WeakPolarHBondContact O-CA 3.08Å; Q234-G239 PolarHBondContact O-N 2.98Å; S235-G239 WeakPolarHBondContact CA-O 3.4Å; S235-G239 PolarHBondContact N-O 2.93Å; Q237-G239 PolarHBondContact O-N 3.26Å; Q237-G239 VanDerWaalsContact O-N 3.12Å; G239-I248 VanDerWaalsContact CA-O 3.31Å; G239-I248 WeakPolarHBondContact CA-O 3.49Å; G239-Q253 VanDerWaalsContact CA-NE2 3.34Å
240	F	98.5	Very high	97.7	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	167.7	-178.8	-151.3	-103.6	0	0	0	113.2	A139 G140 N179 P232 I248	A139-F240 HydrophobicContact CB-CB 3.8Å; A139-F240 HydrophobicContact CB-CD2 3.77Å; A139-F240 HydrophobicContact CB-CG 4.03Å; A139-F240 WeakPolarHBondContact O-CD2 3.46Å; A139-F240 WeakPolarHBondContact O-CE2 3.33Å; G140-F240 WeakPolarHBondContact O-CE2 3.13Å; N179-F240 HydrophobicContact CB-CE1 3.78Å; N179-F240 HydrophobicContact CB-CE2 4.3Å; N179-F240 HydrophobicContact CB-CZ 3.57Å; N179-F240 VanDerWaalsContact CG-CE1 3.41Å; N179-F240 WeakPolarHBondContact ND2-CD1 3.25Å; N179-F240 WeakPolarHBondContact ND2-CE1 3.28Å; N179-F240 WeakPolarHBondContact O-CE1 3.43Å; N179-F240 WeakPolarHBondContact O-CZ 3.41Å; P232-F240 VanDerWaalsContact CD-CE2 3.43Å; P232-F240 HydrophobicContact CG-CD2 3.92Å; P232-F240 HydrophobicContact CG-CE2 4.18Å; F240-I248 PolarHBondContact N-O 2.92Å; F240-I248 VanDerWaalsContact N-O 3.08Å; F240-I248 PolarHBondContact O-N 3.06Å
241	Y	98.3	Very high	97.6	Very high	46 Å²	46	45.9 Å²	45.9	18%	0.18	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	141.7	179.6	-69.5	-48.6	0	0	0	113.2	Y142 P232 E245 T246 V247	Y142-Y241 HydrophobicContact CD1-CD2 4.04Å; Y142-Y241 HydrophobicContact CD1-CE2 4.14Å; P232-Y241 HydrophobicContact CB-CE1 3.97Å; P232-Y241 HydrophobicContact CB-CE2 4.02Å; P232-Y241 VanDerWaalsContact CD-CE2 3.44Å; P232-Y241 HydrophobicContact CG-CD1 4.34Å; P232-Y241 HydrophobicContact CG-CD2 4.01Å; P232-Y241 HydrophobicContact CG-CE1 4.23Å; P232-Y241 HydrophobicContact CG-CE2 3.87Å; P232-Y241 HydrophobicContact CG-CG 4.25Å; Y241-E245 HydrophobicContact CD1-CB 3.96Å; Y241-E245 WeakPolarHBondContact CD1-O 3.33Å; Y241-E245 HydrophobicContact CE1-CB 4.19Å; Y241-E245 WeakPolarHBondContact CE1-O 3.47Å; Y241-E245 HydrophobicContact CG-CB 4.24Å; Y241-T246 CarbonylContact C-O 3.52Å; Y241-T246 WeakPolarHBondContact CA-O 3.28Å; Y241-V247 HydrophobicContact CD1-CG2 3.78Å; Y241-V247 HydrophobicContact CE1-CG2 3.55Å
242	D	96.4	Very high	97.6	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.251	25%	0.251	S	S	.	.			trans	-80.7	-177.3	154.7	73.2	1.2	0	0	0	111.4	P181 N244 E245 T246 I248	P181-D242 WeakPolarHBondContact CB-O 3.3Å; D242-N244 PolarHBondContact O-N 2.7Å; D242-N244 VanDerWaalsContact O-N 3.11Å; D242-N244 WeakPolarHBondContact OD1-CA 3.2Å; D242-N244 WeakPolarHBondContact OD1-CB 3.25Å; D242-N244 PolarHBondContact OD1-N 3.4Å; D242-E245 PolarHBondContact O-N 2.99Å; D242-E245 PolarHBondContact OD1-N 3.34Å; D242-T246 PolarHBondContact N-O 2.9Å; D242-T246 WeakPolarHBondContact OD1-CA 3.2Å; D242-T246 WeakPolarHBondContact OD1-CB 3.24Å; D242-T246 PolarHBondContact OD1-N 3.1Å; D242-I248 HydrophobicContact CB-CD1 4.15Å; D242-I248 HydrophobicContact CB-CG1 3.83Å
243	D	94.8	Very high	97.4	Very high	111 Å²	111	51.8 Å²	51.8	59%	0.594	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.9	179.4	-59.1	-14.2	0	0	0	113.4	H182	H182-D243 PolarHBondContact CE1-O 3.15Å; H182-D243 PolarHBondContact ND1-O 2.76Å
244	N	96.4	Very high	97.2	Very high	134 Å²	134	53.9 Å²	53.9	72%	0.717	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	10.3	176.7	-62.9	-56.2	0	0	0	112.7	D242 T246	D242-N244 PolarHBondContact O-N 2.7Å; D242-N244 VanDerWaalsContact O-N 3.11Å; D242-N244 WeakPolarHBondContact OD1-CA 3.2Å; D242-N244 WeakPolarHBondContact OD1-CB 3.25Å; D242-N244 PolarHBondContact OD1-N 3.4Å; N244-T246 PolarHBondContact O-N 2.78Å
245	E	96.3	Very high	97.1	Very high	61 Å²	61	52.4 Å²	52.4	29%	0.285	27%	0.267	S	S	.	.	S	Bend	trans	56.7	27.4	-171.2	-58.2	-175.4	-155.3	0	0	113.8	K157 P181 H182 Y241 D242	K157-E245 IonicContact NZ-OE1 2.9Å; K157-E245 IonicContact NZ-OE2 3.63Å; K157-E245 PolarHBondContact NZ-OE2 2.9Å; P181-E245 HydrophobicContact CG-CG 4.32Å; H182-E245 IonicContact CD2-OE1 3.91Å; H182-E245 IonicContact CE1-OE1 3.9Å; H182-E245 WeakPolarHBondContact NE2-CG 3.46Å; H182-E245 IonicContact NE2-OE1 2.74Å; H182-E245 PolarHBondContact NE2-OE1 2.98Å; Y241-E245 HydrophobicContact CD1-CB 3.96Å; Y241-E245 WeakPolarHBondContact CD1-O 3.33Å; Y241-E245 HydrophobicContact CE1-CB 4.19Å; Y241-E245 WeakPolarHBondContact CE1-O 3.47Å; Y241-E245 HydrophobicContact CG-CB 4.24Å; D242-E245 PolarHBondContact O-N 2.99Å; D242-E245 PolarHBondContact OD1-N 3.34Å
246	T	97.6	Very high	97	Very high	79 Å²	79	54.5 Å²	54.5	49%	0.485	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-83.8	129.2	166.7	-59	0	0	0	0	108.7	Y241 D242 N244 I248	Y241-T246 CarbonylContact C-O 3.52Å; Y241-T246 WeakPolarHBondContact CA-O 3.28Å; D242-T246 PolarHBondContact N-O 2.9Å; D242-T246 WeakPolarHBondContact OD1-CA 3.2Å; D242-T246 WeakPolarHBondContact OD1-CB 3.24Å; D242-T246 PolarHBondContact OD1-N 3.1Å; N244-T246 PolarHBondContact O-N 2.78Å; T246-I248 PolarHBondContact O-N 2.78Å
247	V	98.1	Very high	97	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.267	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	121.4	179.5	-179	0	0	0	0	110.2	P232 Q234 Y241	P232-V247 HydrophobicContact CB-CG2 3.73Å; P232-V247 HydrophobicContact CG-CG2 4.27Å; Q234-V247 HydrophobicContact CB-CG1 3.77Å; Q234-V247 HydrophobicContact CG-CG1 3.78Å; Y241-V247 HydrophobicContact CD1-CG2 3.78Å; Y241-V247 HydrophobicContact CE1-CG2 3.55Å
248	I	97.9	Very high	96.9	Very high	50 Å²	50	66.3 Å²	66.3	26%	0.256	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	173.8	-52.1	-55.8	0	0	0	109.2	G239 F240 D242 T246 H252 Q253	G239-I248 VanDerWaalsContact CA-O 3.31Å; G239-I248 WeakPolarHBondContact CA-O 3.49Å; F240-I248 PolarHBondContact N-O 2.92Å; F240-I248 VanDerWaalsContact N-O 3.08Å; F240-I248 PolarHBondContact O-N 3.06Å; D242-I248 HydrophobicContact CB-CD1 4.15Å; D242-I248 HydrophobicContact CB-CG1 3.83Å; T246-I248 PolarHBondContact O-N 2.78Å; I248-H252 HydrophobicContact CG2-CB 3.62Å; I248-Q253 HydrophobicContact CB-CG 4.34Å; I248-Q253 HydrophobicContact CG2-CG 3.93Å; I248-Q253 PolarHBondContact O-NE2 3.13Å
249	E	96.8	Very high	96.9	Very high	123 Å²	123	67.1 Å²	67.1	58%	0.575	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-66.8	155	177.5	-57.7	-173.3	169.3	0	0	112	Q251 H252	E249-Q251 PolarHBondContact O-N 3.36Å; E249-Q251 VanDerWaalsContact O-N 3.1Å; E249-H252 PolarHBondContact O-N 2.64Å
250	I	96.6	Very high	96.8	Very high	5 Å²	5	68.4 Å²	68.4	3%	0.026	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-50.5	-38.4	-176.2	-171.9	-176.7	0	0	0	113.2	F238 H252 Q253 L255 Y256 L263 L272 F274	F238-I250 HydrophobicContact CB-CB 4.23Å; F238-I250 HydrophobicContact CB-CD1 3.71Å; F238-I250 HydrophobicContact CB-CG1 3.73Å; F238-I250 HydrophobicContact CD2-CD1 4.23Å; F238-I250 HydrophobicContact CG-CD1 4.28Å; I250-H252 PolarHBondContact O-N 3Å; I250-Q253 PolarHBondContact O-N 2.76Å; I250-L255 HydrophobicContact CG1-CD1 4.33Å; I250-Y256 HydrophobicContact CD1-CD2 4.2Å; I250-Y256 HydrophobicContact CG1-CD2 4.04Å; I250-Y256 HydrophobicContact CG1-CG 4.4Å; I250-Y256 WeakPolarHBondContact O-CB 3.42Å; I250-L263 HydrophobicContact CD1-CD1 4.11Å; I250-L272 HydrophobicContact CD1-CD2 4.32Å; I250-F274 HydrophobicContact CD1-CE1 4.32Å; I250-F274 HydrophobicContact CD1-CZ 4.08Å; I250-F274 HydrophobicContact CG2-CE1 4.16Å; I250-F274 HydrophobicContact CG2-CZ 3.89Å
251	Q	96.2	Very high	96.7	Very high	75 Å²	75	68.2 Å²	68.2	35%	0.35	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19.3	-175.3	-55.3	82.9	-4.6	0	0	113.1	E249 Y256 L257	E249-Q251 PolarHBondContact O-N 3.36Å; E249-Q251 VanDerWaalsContact O-N 3.1Å; Q251-Y256 HydrophobicContact CB-CD1 4.5Å; Q251-Y256 HydrophobicContact CB-CE1 4.41Å; Q251-L257 WeakPolarHBondContact O-CD2 3.33Å
252	H	97.1	Very high	96.7	Very high	130 Å²	130	66 Å²	66	60%	0.602	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-103.2	-0.8	-177.4	-61.1	-62.3	0	0	0	113.2	I248 E249 I250	I248-H252 HydrophobicContact CG2-CB 3.62Å; E249-H252 PolarHBondContact O-N 2.64Å; I250-H252 PolarHBondContact O-N 3Å
253	Q	95	Very high	96.8	Very high	31 Å²	31	63.8 Å²	63.8	15%	0.145	31%	0.314	C	S	.	.	S	Bend	trans	-92.6	147.7	178.7	-69	-176	50	0	0	112.6	F238 G239 I248 I250 L255 Y256 L257	F238-Q253 PolarHBondContact O-NE2 2.89Å; G239-Q253 VanDerWaalsContact CA-NE2 3.34Å; I248-Q253 HydrophobicContact CB-CG 4.34Å; I248-Q253 HydrophobicContact CG2-CG 3.93Å; I248-Q253 PolarHBondContact O-NE2 3.13Å; I250-Q253 PolarHBondContact O-N 2.76Å; Q253-L255 VanDerWaalsContact C-N 3.26Å; Q253-L255 HydrophobicContact CB-CD2 4.46Å; Q253-L255 HydrophobicContact CB-CG 4.03Å; Q253-L255 PolarHBondContact O-N 2.67Å; Q253-Y256 PolarHBondContact O-N 3.03Å; Q253-L257 WeakPolarHBondContact O-CG 3.36Å; Q253-L257 PolarHBondContact O-N 3.19Å
254	D	94.1	Very high	97	Very high	111 Å²	111	63 Å²	63	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-56.3	-38.1	-179.1	-82	-11.9	0	0	0	113.3	Y256 L257 R258	D254-Y256 PolarHBondContact O-N 3.42Å; D254-L257 PolarHBondContact O-N 2.96Å; D254-R258 VanDerWaalsContact O-CB 3.3Å; D254-R258 WeakPolarHBondContact O-CB 3.33Å; D254-R258 PolarHBondContact O-N 3.25Å
255	L	95.2	Very high	97.1	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-55.3	-35.3	177.3	60.6	86.3	0	0	0	112.4	F238 I250 Q253 D259 V260 F261 L263	F238-L255 HydrophobicContact CD1-CD1 4.47Å; I250-L255 HydrophobicContact CG1-CD1 4.33Å; Q253-L255 VanDerWaalsContact C-N 3.26Å; Q253-L255 HydrophobicContact CB-CD2 4.46Å; Q253-L255 HydrophobicContact CB-CG 4.03Å; Q253-L255 PolarHBondContact O-N 2.67Å; L255-D259 PolarHBondContact O-N 3.11Å; L255-V260 HydrophobicContact CB-CG2 4Å; L255-V260 PolarHBondContact O-N 3.2Å; L255-V260 VanDerWaalsContact O-N 3.08Å; L255-F261 HydrophobicContact CB-CE1 3.95Å; L255-F261 HydrophobicContact CB-CZ 4.33Å; L255-F261 HydrophobicContact CD1-CZ 4.16Å; L255-L263 HydrophobicContact CD1-CD1 3.37Å
256	Y	98	Very high	97.2	Very high	44 Å²	44	55.9 Å²	55.9	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-87.7	-48.9	179.3	-176.3	-92	0	0	0	110.6	I250 Q251 Q253 D254 R258 D259 L263 K264 A267	I250-Y256 HydrophobicContact CD1-CD2 4.2Å; I250-Y256 HydrophobicContact CG1-CD2 4.04Å; I250-Y256 HydrophobicContact CG1-CG 4.4Å; I250-Y256 WeakPolarHBondContact O-CB 3.42Å; Q251-Y256 HydrophobicContact CB-CD1 4.5Å; Q251-Y256 HydrophobicContact CB-CE1 4.41Å; Q253-Y256 PolarHBondContact O-N 3.03Å; D254-Y256 PolarHBondContact O-N 3.42Å; Y256-R258 VanDerWaalsContact C-N 3.27Å; Y256-R258 PolarHBondContact O-N 3.22Å; Y256-D259 PolarHBondContact O-N 3Å; Y256-L263 HydrophobicContact CD2-CB 3.88Å; Y256-L263 HydrophobicContact CE2-CB 4.44Å; Y256-K264 HydrophobicContact CD1-CB 4.42Å; Y256-K264 HydrophobicContact CD2-CB 4.2Å; Y256-K264 HydrophobicContact CE1-CB 4.21Å; Y256-K264 HydrophobicContact CE1-CD 4.5Å; Y256-K264 HydrophobicContact CE1-CG 4.1Å; Y256-K264 HydrophobicContact CE2-CB 3.97Å; Y256-K264 HydrophobicContact CG-CB 4.41Å; Y256-K264 WeakPolarHBondContact O-CB 3.44Å; Y256-K264 WeakPolarHBondContact O-CD 3.45Å; Y256-A267 HydrophobicContact CE2-CB 4.07Å; Y256-A267 WeakPolarHBondContact OH-CB 3.46Å
257	L	97.8	Very high	97.3	Very high	86 Å²	86	53.7 Å²	53.7	45%	0.45	26%	0.263	S	S	.	.	H	α-helix	trans	-56.6	-43.1	-176.5	-69.6	175.2	0	0	0	112.2	Q251 Q253 D254 K264	Q251-L257 WeakPolarHBondContact O-CD2 3.33Å; Q253-L257 WeakPolarHBondContact O-CG 3.36Å; Q253-L257 PolarHBondContact O-N 3.19Å; D254-L257 PolarHBondContact O-N 2.96Å; L257-K264 PolarHBondContact O-NZ 2.9Å
258	R	97.3	Very high	97.3	Very high	186 Å²	186	55.9 Å²	55.9	70%	0.702	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4	177.8	-61.6	177	58.2	178.1	-4.6	113.7	D254 Y256 V260	D254-R258 VanDerWaalsContact O-CB 3.3Å; D254-R258 WeakPolarHBondContact O-CB 3.33Å; D254-R258 PolarHBondContact O-N 3.25Å; Y256-R258 VanDerWaalsContact C-N 3.27Å; Y256-R258 PolarHBondContact O-N 3.22Å; R258-V260 VanDerWaalsContact C-N 3.3Å; R258-V260 HydrophobicContact CB-CG1 3.59Å; R258-V260 PolarHBondContact O-N 3.44Å
259	D	97.9	Very high	97.3	Very high	19 Å²	19	58.9 Å²	58.9	10%	0.102	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	45	-180	-166.6	40.7	0	0	0	112.8	K210 L255 Y256 F261 G262 L263 K264 S265	K210-D259 WeakPolarHBondContact CD-O 3.02Å; K210-D259 VanDerWaalsContact CE-O 3.24Å; K210-D259 WeakPolarHBondContact CE-O 3.39Å; K210-D259 WeakPolarHBondContact CE-OD2 3.45Å; K210-D259 PolarHBondContact NZ-O 3.36Å; K210-D259 IonicContact NZ-OD2 3.77Å; K210-D259 PolarHBondContact NZ-OD2 3.19Å; L255-D259 PolarHBondContact O-N 3.11Å; Y256-D259 PolarHBondContact O-N 3Å; D259-F261 VanDerWaalsContact C-N 3.31Å; D259-F261 PolarHBondContact O-N 3.26Å; D259-G262 PolarHBondContact O-N 2.95Å; D259-G262 WeakPolarHBondContact OD1-CA 3.34Å; D259-G262 PolarHBondContact OD1-N 2.89Å; D259-L263 PolarHBondContact OD1-N 2.64Å; D259-K264 HydrophobicContact CB-CB 3.88Å; D259-K264 HydrophobicContact CB-CD 4.36Å; D259-K264 WeakPolarHBondContact OD1-CA 3.35Å; D259-K264 WeakPolarHBondContact OD1-CB 3.34Å; D259-K264 PolarHBondContact OD1-N 2.99Å; D259-S265 PolarHBondContact OD1-N 3.33Å; D259-S265 PolarHBondContact OD2-OG 3.08Å
260	V	96	Very high	97.4	Very high	29 Å²	29	55.1 Å²	55.1	18%	0.176	29%	0.288	C	S	.	.	S	Bend	trans	-66.5	-32	-162.7	-56.7	0	0	0	0	113.3	N198 L255 R258	N198-V260 VanDerWaalsContact O-CG2 3.25Å; N198-V260 WeakPolarHBondContact O-CG2 3.44Å; L255-V260 HydrophobicContact CB-CG2 4Å; L255-V260 PolarHBondContact O-N 3.2Å; L255-V260 VanDerWaalsContact O-N 3.08Å; R258-V260 VanDerWaalsContact C-N 3.3Å; R258-V260 HydrophobicContact CB-CG1 3.59Å; R258-V260 PolarHBondContact O-N 3.44Å
261	F	97	Very high	97.5	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.018	29%	0.29	C	S	.	.	S	Bend	trans	-128	17.9	172.6	55.7	-101.4	0	0	0	113.4	N198 F213 F238 L255 D259 L263	N198-F261 HydrophobicContact CB-CE1 4.22Å; F213-F261 HydrophobicContact CD1-CD2 4.47Å; F213-F261 VanDerWaalsContact CD1-O 3.26Å; F213-F261 WeakPolarHBondContact CD1-O 3.33Å; F213-F261 HydrophobicContact CE1-CD2 4.42Å; F238-F261 HydrophobicContact CD1-CZ 4.19Å; F238-F261 AromaticContact CE1-CE2 3.87Å; F238-F261 HydrophobicContact CE1-CE2 3.87Å; F238-F261 AromaticContact CE1-CZ 3.65Å; F238-F261 HydrophobicContact CE1-CZ 3.65Å; F238-F261 HydrophobicContact CZ-CE2 4.01Å; F238-F261 HydrophobicContact CZ-CZ 4.27Å; L255-F261 HydrophobicContact CB-CE1 3.95Å; L255-F261 HydrophobicContact CB-CZ 4.33Å; L255-F261 HydrophobicContact CD1-CZ 4.16Å; D259-F261 VanDerWaalsContact C-N 3.31Å; D259-F261 PolarHBondContact O-N 3.26Å; F261-L263 HydrophobicContact CD2-CD1 4.26Å; F261-L263 HydrophobicContact CD2-CG 4.01Å; F261-L263 HydrophobicContact CE2-CD1 3.24Å; F261-L263 HydrophobicContact CE2-CD2 4.11Å; F261-L263 HydrophobicContact CE2-CG 3.38Å; F261-L263 HydrophobicContact CZ-CD1 3.41Å; F261-L263 VanDerWaalsContact CZ-CD1 3.41Å; F261-L263 HydrophobicContact CZ-CG 4.08Å
262	G	98.1	Very high	97.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	101.1	7.5	166.4	0	0	0	0	0	117.5	L214 D259 K264 S265 L266	L214-G262 WeakPolarHBondContact CD2-O 3.43Å; D259-G262 PolarHBondContact O-N 2.95Å; D259-G262 WeakPolarHBondContact OD1-CA 3.34Å; D259-G262 PolarHBondContact OD1-N 2.89Å; G262-K264 PolarHBondContact O-N 2.89Å; G262-S265 WeakPolarHBondContact O-CB 3.34Å; G262-S265 PolarHBondContact O-N 3.21Å; G262-L266 WeakPolarHBondContact O-CG 3.06Å; G262-L266 PolarHBondContact O-N 2.74Å
263	L	98.5	Very high	97.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-41.4	179.6	-73.4	168.3	0	0	0	113.6	L219 F238 I250 L255 Y256 D259 F261 S265 L266 A267 L272	L219-L263 HydrophobicContact CD2-CD2 3.67Å; F238-L263 HydrophobicContact CD1-CD1 4.04Å; F238-L263 HydrophobicContact CD2-CD1 4.1Å; F238-L263 HydrophobicContact CD2-CD2 4.1Å; F238-L263 HydrophobicContact CE1-CD1 4.15Å; F238-L263 HydrophobicContact CE2-CD1 4.22Å; F238-L263 HydrophobicContact CE2-CD2 3.77Å; F238-L263 HydrophobicContact CG-CD1 4.01Å; F238-L263 HydrophobicContact CZ-CD1 4.24Å; F238-L263 HydrophobicContact CZ-CD2 4.22Å; I250-L263 HydrophobicContact CD1-CD1 4.11Å; L255-L263 HydrophobicContact CD1-CD1 3.37Å; Y256-L263 HydrophobicContact CD2-CB 3.88Å; Y256-L263 HydrophobicContact CE2-CB 4.44Å; D259-L263 PolarHBondContact OD1-N 2.64Å; F261-L263 HydrophobicContact CD2-CD1 4.26Å; F261-L263 HydrophobicContact CD2-CG 4.01Å; F261-L263 HydrophobicContact CE2-CD1 3.24Å; F261-L263 HydrophobicContact CE2-CD2 4.11Å; F261-L263 HydrophobicContact CE2-CG 3.38Å; F261-L263 HydrophobicContact CZ-CD1 3.41Å; F261-L263 VanDerWaalsContact CZ-CD1 3.41Å; F261-L263 HydrophobicContact CZ-CG 4.08Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-L266 PolarHBondContact O-N 3.49Å; L263-A267 WeakPolarHBondContact O-CB 3.28Å; L263-A267 PolarHBondContact O-N 3.45Å; L263-L272 HydrophobicContact CD2-CD1 4.48Å
264	K	98.6	Very high	97.9	Very high	95 Å²	95	52.1 Å²	52.1	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-34.5	177.4	-177.9	-178.3	-175.9	178.7	0	110.8	Y256 L257 D259 G262 A267 A268	Y256-K264 HydrophobicContact CD1-CB 4.42Å; Y256-K264 HydrophobicContact CD2-CB 4.2Å; Y256-K264 HydrophobicContact CE1-CB 4.21Å; Y256-K264 HydrophobicContact CE1-CD 4.5Å; Y256-K264 HydrophobicContact CE1-CG 4.1Å; Y256-K264 HydrophobicContact CE2-CB 3.97Å; Y256-K264 HydrophobicContact CG-CB 4.41Å; Y256-K264 WeakPolarHBondContact O-CB 3.44Å; Y256-K264 WeakPolarHBondContact O-CD 3.45Å; L257-K264 PolarHBondContact O-NZ 2.9Å; D259-K264 HydrophobicContact CB-CB 3.88Å; D259-K264 HydrophobicContact CB-CD 4.36Å; D259-K264 WeakPolarHBondContact OD1-CA 3.35Å; D259-K264 WeakPolarHBondContact OD1-CB 3.34Å; D259-K264 PolarHBondContact OD1-N 2.99Å; G262-K264 PolarHBondContact O-N 2.89Å; K264-A267 PolarHBondContact O-N 2.74Å; K264-A268 WeakPolarHBondContact O-CB 3.19Å; K264-A268 PolarHBondContact O-N 2.77Å
265	S	98.8	Very high	98.1	Very high	46 Å²	46	47.8 Å²	47.8	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-45.5	170.8	-75.9	0	0	0	0	112.3	D259 G262 L263 A267 A268 R269	D259-S265 PolarHBondContact OD1-N 3.33Å; D259-S265 PolarHBondContact OD2-OG 3.08Å; G262-S265 WeakPolarHBondContact O-CB 3.34Å; G262-S265 PolarHBondContact O-N 3.21Å; L263-S265 VanDerWaalsContact C-N 3.33Å; S265-A267 PolarHBondContact O-N 2.65Å; S265-A268 PolarHBondContact O-N 3.01Å; S265-R269 WeakPolarHBondContact O-CB 3.32Å; S265-R269 PolarHBondContact O-N 3.13Å
266	L	98.8	Very high	98.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-42.7	175.6	-71	171.3	0	0	0	111.7	F213 L214 I216 L219 G262 L263 R269 G270 D271 L272	F213-L266 HydrophobicContact CD1-CD1 4.18Å; F213-L266 HydrophobicContact CE1-CD1 3.64Å; F213-L266 HydrophobicContact CZ-CD1 4.49Å; L214-L266 HydrophobicContact CD2-CD2 4.07Å; L214-L266 HydrophobicContact CD2-CG 3.91Å; I216-L266 HydrophobicContact CD1-CD1 3.99Å; I216-L266 HydrophobicContact CG1-CD1 4.42Å; I216-L266 HydrophobicContact CG1-CD2 4.08Å; L219-L266 HydrophobicContact CB-CD1 4.12Å; L219-L266 HydrophobicContact CD2-CD1 3.82Å; G262-L266 WeakPolarHBondContact O-CG 3.06Å; G262-L266 PolarHBondContact O-N 2.74Å; L263-L266 PolarHBondContact O-N 3.49Å; L266-R269 VanDerWaalsContact CD2-NH2 3.33Å; L266-R269 PolarHBondContact O-N 3.09Å; L266-G270 PolarHBondContact O-N 3.4Å; L266-D271 HydrophobicContact CD2-CB 4.32Å; L266-D271 PolarHBondContact O-N 3.42Å; L266-L272 HydrophobicContact CB-CB 4.23Å
267	A	98.6	Very high	98.3	Very high	32 Å²	32	49.2 Å²	49.2	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-46.6	175.6	0	0	0	0	0	111.8	Y256 L263 K264 S265 R269 G270 L272	Y256-A267 HydrophobicContact CE2-CB 4.07Å; Y256-A267 WeakPolarHBondContact OH-CB 3.46Å; L263-A267 WeakPolarHBondContact O-CB 3.28Å; L263-A267 PolarHBondContact O-N 3.45Å; K264-A267 PolarHBondContact O-N 2.74Å; S265-A267 PolarHBondContact O-N 2.65Å; A267-R269 VanDerWaalsContact C-N 3.26Å; A267-R269 PolarHBondContact O-N 3.4Å; A267-G270 PolarHBondContact O-N 3.31Å; A267-L272 HydrophobicContact CB-CB 4.25Å; A267-L272 HydrophobicContact CB-CD2 3.97Å
268	A	98.6	Very high	98.3	Very high	91 Å²	91	49.4 Å²	49.4	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-63.5	-31.1	177.8	0	0	0	0	0	113	K264 S265 G270	K264-A268 WeakPolarHBondContact O-CB 3.19Å; K264-A268 PolarHBondContact O-N 2.77Å; S265-A268 PolarHBondContact O-N 3.01Å; A268-G270 VanDerWaalsContact C-N 3.26Å; A268-G270 PolarHBondContact O-N 2.91Å
269	R	98.3	Very high	98.3	Very high	112 Å²	112	43.5 Å²	43.5	42%	0.423	27%	0.269	S	S	.	.	H	α-helix	trans	-77.1	-10.7	175.1	-156.9	168.7	67	-170.2	4.2	113.2	L214 I216 S265 L266 A267 D271	L214-R269 PolarHBondContact O-NH1 3.35Å; I216-R269 PolarHBondContact O-NH2 3.19Å; S265-R269 WeakPolarHBondContact O-CB 3.32Å; S265-R269 PolarHBondContact O-N 3.13Å; L266-R269 VanDerWaalsContact CD2-NH2 3.33Å; L266-R269 PolarHBondContact O-N 3.09Å; A267-R269 VanDerWaalsContact C-N 3.26Å; A267-R269 PolarHBondContact O-N 3.4Å; R269-D271 IonicContact CZ-OD2 3.56Å; R269-D271 IonicContact NE-OD2 2.67Å; R269-D271 PolarHBondContact NE-OD2 3.23Å; R269-D271 IonicContact NH2-OD2 2.76Å; R269-D271 PolarHBondContact NH2-OD2 2.82Å
270	G	98.5	Very high	98.3	Very high	44 Å²	44	42.8 Å²	42.8	45%	0.454	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	24.3	-175.5	0	0	0	0	0	113.6	L266 A267 A268 F273	L266-G270 PolarHBondContact O-N 3.4Å; A267-G270 PolarHBondContact O-N 3.31Å; A268-G270 VanDerWaalsContact C-N 3.26Å; A268-G270 PolarHBondContact O-N 2.91Å; G270-F273 WeakPolarHBondContact O-CZ 3.25Å
271	D	98.7	Very high	98.4	Very high	13 Å²	13	48 Å²	48	7%	0.07	29%	0.285	C	S	.	.			trans	-113.8	3.4	-171.5	-73.5	-18.5	0	0	0	114.3	Q217 K218 L219 L266 R269	Q217-D271 WeakPolarHBondContact O-CB 3.4Å; K218-D271 IonicContact NZ-OD1 3.93Å; K218-D271 PolarHBondContact NZ-OD1 2.95Å; L219-D271 PolarHBondContact N-O 3.45Å; L266-D271 HydrophobicContact CD2-CB 4.32Å; L266-D271 PolarHBondContact O-N 3.42Å; R269-D271 IonicContact CZ-OD2 3.56Å; R269-D271 IonicContact NE-OD2 2.67Å; R269-D271 PolarHBondContact NE-OD2 3.23Å; R269-D271 IonicContact NH2-OD2 2.76Å; R269-D271 PolarHBondContact NH2-OD2 2.82Å
272	L	98.8	Very high	98.5	Very high	20 Å²	20	48.1 Å²	48.1	11%	0.105	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.1	172.3	177.8	61.6	0	0	0	110.1	L219 L221 I250 L263 L266 A267 F274	L219-L272 HydrophobicContact CB-CD1 4.17Å; L219-L272 HydrophobicContact CD2-CD1 3.69Å; L219-L272 HydrophobicContact CG-CD1 3.8Å; L221-L272 HydrophobicContact CD1-CD1 3.68Å; L221-L272 HydrophobicContact CG-CD1 4.13Å; I250-L272 HydrophobicContact CD1-CD2 4.32Å; L263-L272 HydrophobicContact CD2-CD1 4.48Å; L266-L272 HydrophobicContact CB-CB 4.23Å; A267-L272 HydrophobicContact CB-CB 4.25Å; A267-L272 HydrophobicContact CB-CD2 3.97Å; L272-F274 HydrophobicContact CD1-CZ 4.32Å; L272-F274 HydrophobicContact CD2-CE2 3.93Å; L272-F274 HydrophobicContact CD2-CZ 3.73Å; L272-F274 HydrophobicContact CG-CE2 3.82Å; L272-F274 HydrophobicContact CG-CZ 3.91Å
273	F	98.8	Very high	98.4	Very high	59 Å²	59	51.1 Å²	51.1	26%	0.259	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.3	-177.8	-59.5	-84.5	0	0	0	111.4	K218 L219 V220 L221 G270 W299	K218-F273 HydrophobicContact CD-CD2 4.46Å; K218-F273 HydrophobicContact CD-CE2 3.57Å; K218-F273 HydrophobicContact CD-CZ 4.28Å; L219-F273 PolarHBondContact O-N 3.25Å; V220-F273 HydrophobicContact CG2-CB 4.49Å; L221-F273 PolarHBondContact N-O 3.27Å; G270-F273 WeakPolarHBondContact O-CZ 3.25Å; F273-W299 HydrophobicContact CB-CH2 4.5Å; F273-W299 HydrophobicContact CB-CZ2 3.96Å; F273-W299 AromaticContact CD1-CH2 3.46Å; F273-W299 HydrophobicContact CD1-CH2 3.46Å; F273-W299 VanDerWaalsContact CD1-CH2 3.46Å; F273-W299 AromaticContact CD1-CZ2 3.66Å; F273-W299 HydrophobicContact CD1-CZ2 3.66Å; F273-W299 AromaticContact CD2-CH2 3.72Å; F273-W299 HydrophobicContact CD2-CH2 3.72Å; F273-W299 AromaticContact CD2-CZ2 3.93Å; F273-W299 HydrophobicContact CD2-CZ2 3.93Å; F273-W299 HydrophobicContact CD2-CZ3 4.25Å; F273-W299 AromaticContact CE1-CH2 3.43Å; F273-W299 HydrophobicContact CE1-CH2 3.43Å; F273-W299 VanDerWaalsContact CE1-CH2 3.43Å; F273-W299 HydrophobicContact CE1-CZ2 4.13Å; F273-W299 HydrophobicContact CE1-CZ3 4.29Å; F273-W299 AromaticContact CE2-CH2 3.7Å; F273-W299 HydrophobicContact CE2-CH2 3.7Å; F273-W299 HydrophobicContact CE2-CZ2 4.38Å; F273-W299 AromaticContact CE2-CZ3 3.96Å; F273-W299 HydrophobicContact CE2-CZ3 3.96Å; F273-W299 AromaticContact CG-CH2 3.6Å; F273-W299 HydrophobicContact CG-CH2 3.6Å; F273-W299 AromaticContact CG-CZ2 3.54Å; F273-W299 HydrophobicContact CG-CZ2 3.54Å; F273-W299 AromaticContact CZ-CH2 3.55Å; F273-W299 HydrophobicContact CZ-CH2 3.55Å; F273-W299 HydrophobicContact CZ-CZ2 4.46Å; F273-W299 AromaticContact CZ-CZ3 3.97Å; F273-W299 HydrophobicContact CZ-CZ3 3.97Å
274	F	98.7	Very high	98.4	Very high	87 Å²	87	57.9 Å²	57.9	38%	0.382	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.9	175.3	-58.5	-89.3	0	0	0	109	L221 Q237 I250 L272	L221-F274 HydrophobicContact CB-CD1 4.27Å; L221-F274 HydrophobicContact CD1-CD1 4.15Å; L221-F274 HydrophobicContact CD1-CE1 3.72Å; L221-F274 HydrophobicContact CD1-CZ 4.39Å; Q237-F274 HydrophobicContact CB-CD1 3.79Å; Q237-F274 HydrophobicContact CB-CE1 4.01Å; Q237-F274 HydrophobicContact CG-CD1 3.86Å; I250-F274 HydrophobicContact CD1-CE1 4.32Å; I250-F274 HydrophobicContact CD1-CZ 4.08Å; I250-F274 HydrophobicContact CG2-CE1 4.16Å; I250-F274 HydrophobicContact CG2-CZ 3.89Å; L272-F274 HydrophobicContact CD1-CZ 4.32Å; L272-F274 HydrophobicContact CD2-CE2 3.93Å; L272-F274 HydrophobicContact CD2-CZ 3.73Å; L272-F274 HydrophobicContact CG-CE2 3.82Å; L272-F274 HydrophobicContact CG-CZ 3.91Å
275	C	98.7	Very high	98.4	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.128	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	105.2	171	-154.7	0	0	0	0	109.4	L221 I222 G223 Q237 C295	L221-C275 PolarHBondContact O-N 3.05Å; I222-C275 WeakPolarHBondContact CA-O 3.23Å; I222-C275 HydrophobicContact CG1-CB 4.13Å; G223-C275 PolarHBondContact N-O 3.46Å; G223-C275 VanDerWaalsContact N-O 3.14Å; Q237-C275 PolarHBondContact NE2-O 3.31Å; C275-C295 HydrophobicContact CB-CB 3.59Å; C275-C295 WeakPolarHBondContact CB-SG 3.49Å; C275-C295 WeakPolarHBondContact SG-CA 3.47Å; C275-C295 WeakPolarHBondContact SG-CB 3.3Å; C275-C295 CovalentContact SG-SG 2.03Å; C275-C295 PolarHBondContact SG-SG 3.25Å
276	T	98.7	Very high	98.4	Very high	72 Å²	72	51.8 Å²	51.8	44%	0.442	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.2	179.2	-55.9	0	0	0	0	109.7	G223 W233 Q237	G223-T276 CarbonylContact O-C 3.57Å; G223-T276 VanDerWaalsContact O-CA 3.26Å; G223-T276 WeakPolarHBondContact O-CA 3.21Å; W233-T276 HydrophobicContact CH2-CG2 4.02Å; W233-T276 HydrophobicContact CZ3-CG2 3.95Å; Q237-T276 PolarHBondContact NE2-OG1 3.42Å; Q237-T276 PolarHBondContact OE1-OG1 2.89Å
277	V	98.6	Very high	98.4	Very high	20 Å²	20	53 Å²	53	12%	0.121	31%	0.306	C	S	.	.			trans	-123.7	114.2	-179.6	-167.9	0	0	0	0	110	G223 G224 V280 W285 V291 C295	G223-V277 PolarHBondContact O-N 3.32Å; G224-V277 WeakPolarHBondContact CA-O 3.48Å; V277-V280 HydrophobicContact CB-CG2 4.25Å; V277-V280 HydrophobicContact CG1-CG2 3.74Å; V277-W285 HydrophobicContact CB-CH2 4.09Å; V277-W285 HydrophobicContact CB-CZ3 3.85Å; V277-W285 HydrophobicContact CG2-CZ3 4.23Å; V277-W285 WeakPolarHBondContact O-CH2 3.35Å; V277-V291 HydrophobicContact CB-CG2 4.47Å; V277-V291 HydrophobicContact CG1-CG2 4.26Å; V277-V291 HydrophobicContact CG2-CG2 4.4Å; V277-C295 WeakPolarHBondContact CG2-SG 3.4Å
278	P	98.3	Very high	98.4	Very high	90 Å²	90	53.6 Å²	53.6	58%	0.584	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	162.3	174.2	32.4	-34.9	0	0	0	111.7	P225 V280	P225-P278 HydrophobicContact CG-CB 4.1Å; P278-V280 VanDerWaalsContact C-N 3.27Å; P278-V280 PolarHBondContact O-N 2.9Å
279	G	98	Very high	98.4	Very high	61 Å²	61	54.3 Å²	54.3	63%	0.629	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	4.5	174.3	0	0	0	0	0	115.7	D226	D226-G279 PolarHBondContact OD2-N 2.69Å
280	V	98.4	Very high	98.3	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.03	30%	0.299	C	S	.	.			trans	-102.4	113.7	179.9	-173.5	0	0	0	0	109.7	D226 D227 V277 P278 W284 W285 V291	D226-V280 CarbonylContact C-O 3.48Å; D226-V280 VanDerWaalsContact C-O 3.31Å; D227-V280 WeakPolarHBondContact CA-O 3.29Å; D227-V280 PolarHBondContact N-O 3.16Å; V277-V280 HydrophobicContact CB-CG2 4.25Å; V277-V280 HydrophobicContact CG1-CG2 3.74Å; P278-V280 VanDerWaalsContact C-N 3.27Å; P278-V280 PolarHBondContact O-N 2.9Å; V280-W284 HydrophobicContact CG1-CB 4.17Å; V280-W285 HydrophobicContact CB-CD2 4.21Å; V280-W285 HydrophobicContact CB-CE3 4.05Å; V280-W285 HydrophobicContact CB-CH2 3.7Å; V280-W285 HydrophobicContact CB-CZ2 3.88Å; V280-W285 HydrophobicContact CB-CZ3 3.81Å; V280-W285 HydrophobicContact CG1-CD2 3.54Å; V280-W285 HydrophobicContact CG1-CE3 3.58Å; V280-W285 HydrophobicContact CG1-CG 4.1Å; V280-W285 HydrophobicContact CG1-CH2 4.13Å; V280-W285 HydrophobicContact CG1-CZ2 4.11Å; V280-W285 HydrophobicContact CG1-CZ3 3.9Å; V280-W285 HydrophobicContact CG2-CH2 4.27Å; V280-W285 HydrophobicContact CG2-CZ3 4.09Å; V280-V291 HydrophobicContact CG1-CG2 4.25Å; V280-V291 HydrophobicContact CG2-CG2 3.8Å
281	K	98	Very high	98.3	Very high	138 Å²	138	51.2 Å²	51.2	60%	0.6	28%	0.277	S	S	*	.			trans	-73.8	154.4	170.8	-50.8	-177	174.4	-176.8	0	110.4	D226 V283 W284	D226-K281 WeakPolarHBondContact O-CA 3.31Å; K281-V283 VanDerWaalsContact C-N 3.34Å; K281-V283 PolarHBondContact O-N 3Å; K281-W284 WeakPolarHBondContact O-CB 3.46Å; K281-W284 PolarHBondContact O-N 3.25Å
282	H	97.8	Very high	98.4	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.028	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-46	-54.1	-173.7	-165.4	64.4	0	0	0	113.1	Y109 S110 S135 D227 V229 W284 W285	Y109-H282 AromaticContact CZ-NE2 3.89Å; Y109-H282 VanDerWaalsContact OH-C 3.32Å; Y109-H282 PolarHBondContact OH-CD2 3.39Å; Y109-H282 VanDerWaalsContact OH-CD2 3.23Å; Y109-H282 PolarHBondContact OH-O 3.27Å; S110-H282 VanDerWaalsContact CB-NE2 3.33Å; S110-H282 WeakPolarHBondContact CB-NE2 3.45Å; S110-H282 PolarHBondContact OG-CE1 3.46Å; S110-H282 PolarHBondContact OG-NE2 3.4Å; S135-H282 PolarHBondContact O-CE1 2.87Å; D227-H282 VanDerWaalsContact CG-ND1 3.35Å; D227-H282 WeakPolarHBondContact O-CB 3.45Å; D227-H282 PolarHBondContact O-N 3Å; D227-H282 WeakPolarHBondContact OD1-CB 3.36Å; D227-H282 IonicContact OD1-CG 2.81Å; D227-H282 IonicContact OD1-ND1 3.74Å; D227-H282 PolarHBondContact OD1-ND1 2.91Å; D227-H282 IonicContact OD2-CE1 2.62Å; D227-H282 IonicContact OD2-CG 2.63Å; D227-H282 IonicContact OD2-ND1 2.79Å; D227-H282 PolarHBondContact OD2-ND1 3.21Å; V229-H282 HydrophobicContact CB-CB 3.76Å; V229-H282 HydrophobicContact CG2-CB 3.52Å; H282-W284 PolarHBondContact O-N 2.83Å; H282-W285 PolarHBondContact O-N 3.5Å
283	V	97	Very high	98.3	Very high	63 Å²	63	53.4 Å²	53.4	38%	0.382	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-64.5	-5.2	-177.4	-58.6	0	0	0	0	115.1	K281	K281-V283 VanDerWaalsContact C-N 3.34Å; K281-V283 PolarHBondContact O-N 3Å
284	W	98.3	Very high	98.3	Very high	142 Å²	142	54.2 Å²	54.2	54%	0.538	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-107.7	-6	-178.5	-62.1	121.7	0	0	0	114	V280 K281 H282 H286 S287 N288	V280-W284 HydrophobicContact CG1-CB 4.17Å; K281-W284 WeakPolarHBondContact O-CB 3.46Å; K281-W284 PolarHBondContact O-N 3.25Å; H282-W284 PolarHBondContact O-N 2.83Å; W284-H286 VanDerWaalsContact C-N 3.3Å; W284-H286 PolarHBondContact O-N 3.16Å; W284-S287 CarbonylContact O-C 3.43Å; W284-S287 PolarHBondContact O-N 3.01Å; W284-N288 WeakPolarHBondContact O-CB 3.47Å; W284-N288 PolarHBondContact O-N 3.11Å
285	W	98.6	Very high	98.3	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.008	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.3	-176.3	-72.7	117.6	0	0	0	113.9	Y109 L134 S135 I222 G223 D227 V277 V280 H282 V291	Y109-W285 HydrophobicContact CD2-CB 4.3Å; Y109-W285 HydrophobicContact CE2-CB 3.95Å; Y109-W285 HydrophobicContact CE2-CG 4.46Å; L134-W285 HydrophobicContact CD1-CB 3.95Å; L134-W285 HydrophobicContact CD2-CB 4.18Å; L134-W285 HydrophobicContact CG-CB 3.88Å; S135-W285 VanDerWaalsContact CB-NE1 3.31Å; S135-W285 PolarHBondContact OG-NE1 3.35Å; I222-W285 HydrophobicContact CG2-CE3 4.14Å; I222-W285 HydrophobicContact CG2-CZ3 4.05Å; G223-W285 WeakPolarHBondContact O-CH2 3.15Å; D227-W285 HydrophobicContact CB-CZ2 4.38Å; D227-W285 PolarHBondContact OD2-NE1 2.71Å; V277-W285 HydrophobicContact CB-CH2 4.09Å; V277-W285 HydrophobicContact CB-CZ3 3.85Å; V277-W285 HydrophobicContact CG2-CZ3 4.23Å; V277-W285 WeakPolarHBondContact O-CH2 3.35Å; V280-W285 HydrophobicContact CB-CD2 4.21Å; V280-W285 HydrophobicContact CB-CE3 4.05Å; V280-W285 HydrophobicContact CB-CH2 3.7Å; V280-W285 HydrophobicContact CB-CZ2 3.88Å; V280-W285 HydrophobicContact CB-CZ3 3.81Å; V280-W285 HydrophobicContact CG1-CD2 3.54Å; V280-W285 HydrophobicContact CG1-CE3 3.58Å; V280-W285 HydrophobicContact CG1-CG 4.1Å; V280-W285 HydrophobicContact CG1-CH2 4.13Å; V280-W285 HydrophobicContact CG1-CZ2 4.11Å; V280-W285 HydrophobicContact CG1-CZ3 3.9Å; V280-W285 HydrophobicContact CG2-CH2 4.27Å; V280-W285 HydrophobicContact CG2-CZ3 4.09Å; H282-W285 PolarHBondContact O-N 3.5Å; W285-V291 HydrophobicContact CE3-CG1 3.97Å; W285-V291 HydrophobicContact CE3-CG2 3.78Å; W285-V291 HydrophobicContact CZ3-CG1 4.44Å; W285-V291 HydrophobicContact CZ3-CG2 3.88Å
286	H	98.4	Very high	98.3	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.056	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.8	178.5	61.9	86.9	0	0	0	113.7	D50 F51 L54 Y109 L134 W284	D50-H286 PolarHBondContact O-CE1 3.2Å; D50-H286 PolarHBondContact O-ND1 3.16Å; F51-H286 HydrophobicContact CD1-CB 3.93Å; F51-H286 HydrophobicContact CE1-CB 3.79Å; F51-H286 AromaticContact CE1-CG 3.92Å; L54-H286 WeakPolarHBondContact CB-O 3.45Å; L54-H286 HydrophobicContact CD2-CB 4.38Å; L54-H286 PolarHBondContact N-O 2.99Å; Y109-H286 AromaticContact CE1-CD2 3.84Å; Y109-H286 AromaticContact CZ-CD2 3.8Å; L134-H286 HydrophobicContact CD2-CB 3.99Å; W284-H286 VanDerWaalsContact C-N 3.3Å; W284-H286 PolarHBondContact O-N 3.16Å
287	S	98.4	Very high	98.3	Very high	24 Å²	24	48.2 Å²	48.2	17%	0.168	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	6	-178.2	-71.3	0	0	0	0	113.2	N53 W284	N53-S287 WeakPolarHBondContact ND2-CB 3.13Å; N53-S287 PolarHBondContact ND2-OG 2.97Å; W284-S287 CarbonylContact O-C 3.43Å; W284-S287 PolarHBondContact O-N 3.01Å
288	N	98.6	Very high	98.2	Very high	46 Å²	46	53.1 Å²	53.1	25%	0.246	28%	0.282	C	S	.	.			trans	-100.2	114.3	179.2	-174.1	-55	0	0	0	110.2	W284 T290 V291 F292	W284-N288 WeakPolarHBondContact O-CB 3.47Å; W284-N288 PolarHBondContact O-N 3.11Å; N288-T290 VanDerWaalsContact C-N 3.32Å; N288-T290 PolarHBondContact O-N 3.33Å; N288-T290 WeakPolarHBondContact OD1-CA 3.49Å; N288-T290 VanDerWaalsContact OD1-CB 3.28Å; N288-T290 WeakPolarHBondContact OD1-CB 3.27Å; N288-T290 PolarHBondContact OD1-N 2.77Å; N288-V291 HydrophobicContact CB-CB 4.06Å; N288-V291 HydrophobicContact CB-CG2 3.79Å; N288-V291 WeakPolarHBondContact O-CB 3.3Å; N288-V291 PolarHBondContact O-N 2.96Å; N288-V291 PolarHBondContact OD1-N 2.99Å; N288-F292 PolarHBondContact O-N 2.98Å; N288-F292 VanDerWaalsContact O-N 3.08Å
289	E	98	Very high	98.2	Very high	106 Å²	106	50.5 Å²	50.5	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-37.1	-178.3	-175.7	172.7	-149.6	0	0	112.5	F57 V291 F292 H293	F57-E289 HydrophobicContact CE1-CB 3.96Å; F57-E289 HydrophobicContact CE1-CG 4.17Å; F57-E289 HydrophobicContact CE2-CB 4.43Å; F57-E289 HydrophobicContact CZ-CB 3.84Å; E289-V291 PolarHBondContact O-N 3.07Å; E289-F292 WeakPolarHBondContact O-CB 3.27Å; E289-F292 PolarHBondContact O-N 2.91Å; E289-H293 PolarHBondContact O-CD2 3.28Å; E289-H293 VanDerWaalsContact O-CD2 3.27Å; E289-H293 PolarHBondContact O-N 2.96Å
290	T	98.1	Very high	98.2	Very high	90 Å²	90	47.6 Å²	47.6	55%	0.552	23%	0.231	S	C	*	.	H	α-helix	trans	-63.9	-41.6	175.3	-54.3	0	0	0	0	111.6	N288 F292 T294	N288-T290 VanDerWaalsContact C-N 3.32Å; N288-T290 PolarHBondContact O-N 3.33Å; N288-T290 WeakPolarHBondContact OD1-CA 3.49Å; N288-T290 VanDerWaalsContact OD1-CB 3.28Å; N288-T290 WeakPolarHBondContact OD1-CB 3.27Å; N288-T290 PolarHBondContact OD1-N 2.77Å; T290-F292 VanDerWaalsContact C-N 3.32Å; T290-F292 PolarHBondContact O-N 2.71Å; T290-T294 WeakPolarHBondContact O-CB 3.43Å; T290-T294 PolarHBondContact O-N 3.41Å; T290-T294 PolarHBondContact O-OG1 3.26Å
291	V	98.7	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-45.3	174.1	172.5	0	0	0	0	110.2	L134 I222 V277 V280 W285 N288 E289 C295 I296	L134-V291 HydrophobicContact CD1-CG1 4.16Å; I222-V291 HydrophobicContact CG2-CG1 4.27Å; V277-V291 HydrophobicContact CB-CG2 4.47Å; V277-V291 HydrophobicContact CG1-CG2 4.26Å; V277-V291 HydrophobicContact CG2-CG2 4.4Å; V280-V291 HydrophobicContact CG1-CG2 4.25Å; V280-V291 HydrophobicContact CG2-CG2 3.8Å; W285-V291 HydrophobicContact CE3-CG1 3.97Å; W285-V291 HydrophobicContact CE3-CG2 3.78Å; W285-V291 HydrophobicContact CZ3-CG1 4.44Å; W285-V291 HydrophobicContact CZ3-CG2 3.88Å; N288-V291 HydrophobicContact CB-CB 4.06Å; N288-V291 HydrophobicContact CB-CG2 3.79Å; N288-V291 WeakPolarHBondContact O-CB 3.3Å; N288-V291 PolarHBondContact O-N 2.96Å; N288-V291 PolarHBondContact OD1-N 2.99Å; E289-V291 PolarHBondContact O-N 3.07Å; V291-C295 WeakPolarHBondContact O-CA 3.45Å; V291-C295 VanDerWaalsContact O-CB 3.25Å; V291-C295 WeakPolarHBondContact O-CB 3.24Å; V291-C295 PolarHBondContact O-N 2.84Å; V291-I296 HydrophobicContact CG1-CD1 4.42Å
292	F	98.8	Very high	97.5	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.24	C	C	.	.	I	π-helix	trans	-58.5	-57.9	179.9	173	-99.5	0	0	0	112.2	L54 F57 I58 S61 N288 E289 T290 T294 I296 E297 L300	L54-F292 HydrophobicContact CD1-CD2 3.82Å; L54-F292 HydrophobicContact CD1-CE2 4.39Å; F57-F292 HydrophobicContact CB-CB 4.36Å; F57-F292 HydrophobicContact CB-CD1 3.61Å; F57-F292 HydrophobicContact CB-CD2 3.9Å; F57-F292 HydrophobicContact CB-CE1 3.78Å; F57-F292 HydrophobicContact CB-CE2 4.07Å; F57-F292 HydrophobicContact CB-CG 3.66Å; F57-F292 HydrophobicContact CB-CZ 4.01Å; F57-F292 HydrophobicContact CD2-CB 3.96Å; F57-F292 HydrophobicContact CD2-CG 4.17Å; F57-F292 HydrophobicContact CG-CB 4.41Å; F57-F292 HydrophobicContact CG-CD1 4.32Å; F57-F292 HydrophobicContact CG-CG 4.23Å; F57-F292 WeakPolarHBondContact O-CZ 3.25Å; I58-F292 HydrophobicContact CG1-CE2 3.67Å; I58-F292 HydrophobicContact CG1-CZ 4.25Å; S61-F292 WeakPolarHBondContact OG-CE1 3.07Å; N288-F292 PolarHBondContact O-N 2.98Å; N288-F292 VanDerWaalsContact O-N 3.08Å; E289-F292 WeakPolarHBondContact O-CB 3.27Å; E289-F292 PolarHBondContact O-N 2.91Å; T290-F292 VanDerWaalsContact C-N 3.32Å; T290-F292 PolarHBondContact O-N 2.71Å; F292-T294 VanDerWaalsContact C-N 3.32Å; F292-T294 PolarHBondContact O-N 3.41Å; F292-I296 HydrophobicContact CD2-CB 3.97Å; F292-I296 HydrophobicContact CD2-CD1 4.49Å; F292-I296 HydrophobicContact CD2-CG2 3.95Å; F292-I296 HydrophobicContact CE2-CB 4.46Å; F292-I296 HydrophobicContact CE2-CG2 4.08Å; F292-I296 WeakPolarHBondContact O-CA 3.28Å; F292-I296 WeakPolarHBondContact O-CB 3.18Å; F292-I296 PolarHBondContact O-N 2.9Å; F292-E297 HydrophobicContact CD1-CB 4.43Å; F292-E297 HydrophobicContact CE1-CB 3.94Å; F292-E297 HydrophobicContact CE1-CG 4.15Å; F292-E297 HydrophobicContact CE2-CB 4.49Å; F292-E297 HydrophobicContact CZ-CB 3.97Å; F292-E297 HydrophobicContact CZ-CG 4.2Å; F292-E297 PolarHBondContact O-N 2.94Å; F292-L300 HydrophobicContact CE2-CD1 4.24Å
293	H	98.4	Very high	97.5	Very high	77 Å²	77	49.8 Å²	49.8	36%	0.356	25%	0.251	S	S	.	.	I	π-helix	trans	-66.1	-34.2	-177	-70.9	-62.1	0	0	0	113	E289 E297	E289-H293 PolarHBondContact O-CD2 3.28Å; E289-H293 VanDerWaalsContact O-CD2 3.27Å; E289-H293 PolarHBondContact O-N 2.96Å; H293-E297 IonicContact CE1-OE2 3.78Å; H293-E297 IonicContact CG-OE2 3.64Å; H293-E297 IonicContact ND1-OE1 3.69Å; H293-E297 IonicContact ND1-OE2 2.75Å; H293-E297 PolarHBondContact ND1-OE2 3.28Å
294	T	98.1	Very high	97.5	Very high	76 Å²	76	49.1 Å²	49.1	47%	0.466	24%	0.244	S	C	.	.	I	π-helix	trans	-79.1	-41.8	-176.9	-52.8	0	0	0	0	112.2	T290 F292	T290-T294 WeakPolarHBondContact O-CB 3.43Å; T290-T294 PolarHBondContact O-N 3.41Å; T290-T294 PolarHBondContact O-OG1 3.26Å; F292-T294 VanDerWaalsContact C-N 3.32Å; F292-T294 PolarHBondContact O-N 3.41Å
295	C	98.6	Very high	97.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	23%	0.226	C	C	.	.	I	π-helix	trans	-114.2	-21.4	-164.8	-58.3	0	0	0	0	114.7	I222 C275 V277 V291 W299	I222-C295 HydrophobicContact CD1-CB 3.57Å; I222-C295 HydrophobicContact CG1-CB 3.95Å; I222-C295 HydrophobicContact CG2-CB 4.19Å; C275-C295 HydrophobicContact CB-CB 3.59Å; C275-C295 WeakPolarHBondContact CB-SG 3.49Å; C275-C295 WeakPolarHBondContact SG-CA 3.47Å; C275-C295 WeakPolarHBondContact SG-CB 3.3Å; C275-C295 CovalentContact SG-SG 2.03Å; C275-C295 PolarHBondContact SG-SG 3.25Å; V277-C295 WeakPolarHBondContact CG2-SG 3.4Å; V291-C295 WeakPolarHBondContact O-CA 3.45Å; V291-C295 VanDerWaalsContact O-CB 3.25Å; V291-C295 WeakPolarHBondContact O-CB 3.24Å; V291-C295 PolarHBondContact O-N 2.84Å; C295-W299 PolarHBondContact O-NE1 3.2Å; C295-W299 VanDerWaalsContact O-NE1 3.13Å
296	I	98.8	Very high	97.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.24	C	C	.	.	I	π-helix	trans	-114.2	-55.1	-168.4	-58.1	-179.7	0	0	0	111.5	L54 I107 I132 L134 I222 V291 F292 K298 W299 L300	L54-I296 HydrophobicContact CD1-CD1 4.23Å; I107-I296 HydrophobicContact CD1-CG2 3.87Å; I132-I296 HydrophobicContact CD1-CG2 3.84Å; I132-I296 HydrophobicContact CG2-CG1 4.36Å; L134-I296 HydrophobicContact CD1-CD1 4.24Å; L134-I296 HydrophobicContact CD2-CD1 4.45Å; I222-I296 HydrophobicContact CD1-CD1 4.33Å; I222-I296 HydrophobicContact CD1-CG1 3.64Å; V291-I296 HydrophobicContact CG1-CD1 4.42Å; F292-I296 HydrophobicContact CD2-CB 3.97Å; F292-I296 HydrophobicContact CD2-CD1 4.49Å; F292-I296 HydrophobicContact CD2-CG2 3.95Å; F292-I296 HydrophobicContact CE2-CB 4.46Å; F292-I296 HydrophobicContact CE2-CG2 4.08Å; F292-I296 WeakPolarHBondContact O-CA 3.28Å; F292-I296 WeakPolarHBondContact O-CB 3.18Å; F292-I296 PolarHBondContact O-N 2.9Å; I296-K298 PolarHBondContact O-N 3.3Å; I296-W299 WeakPolarHBondContact O-CB 3.48Å; I296-W299 PolarHBondContact O-N 3.13Å; I296-L300 HydrophobicContact CG2-CD1 3.81Å; I296-L300 HydrophobicContact CG2-CG 4.15Å
297	E	98.4	Very high	97.4	Very high	51 Å²	51	48.5 Å²	48.5	24%	0.238	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-48.2	-52.7	-165.6	-179.3	179.3	-155.1	0	0	113.7	S61 H62 F292 H293 W299 L300	S61-E297 WeakPolarHBondContact CB-OE1 3.47Å; S61-E297 PolarHBondContact OG-OE1 2.8Å; H62-E297 PolarHBondContact CE1-O 3.5Å; H62-E297 VanDerWaalsContact CE1-O 3.32Å; F292-E297 HydrophobicContact CD1-CB 4.43Å; F292-E297 HydrophobicContact CE1-CB 3.94Å; F292-E297 HydrophobicContact CE1-CG 4.15Å; F292-E297 HydrophobicContact CE2-CB 4.49Å; F292-E297 HydrophobicContact CZ-CB 3.97Å; F292-E297 HydrophobicContact CZ-CG 4.2Å; F292-E297 PolarHBondContact O-N 2.94Å; H293-E297 IonicContact CE1-OE2 3.78Å; H293-E297 IonicContact CG-OE2 3.64Å; H293-E297 IonicContact ND1-OE1 3.69Å; H293-E297 IonicContact ND1-OE2 2.75Å; H293-E297 PolarHBondContact ND1-OE2 3.28Å; E297-W299 PolarHBondContact O-N 3.16Å; E297-L300 PolarHBondContact O-N 2.99Å
298	K	97.4	Very high	97.3	Very high	123 Å²	123	50.2 Å²	50.2	54%	0.535	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-61.9	-12.1	-176.5	73.1	-171.6	-175.5	-168.6	0	115.1	I296	I296-K298 PolarHBondContact O-N 3.3Å
299	W	97.9	Very high	97.2	Very high	35 Å²	35	50.5 Å²	50.5	13%	0.133	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-100.5	-2.8	-179.5	-51.1	120.5	0	0	0	113.6	H105 S130 I132 K218 V220 F273 C295 I296 E297	H105-W299 PolarHBondContact CE1-O 3.13Å; H105-W299 PolarHBondContact ND1-O 3.11Å; S130-W299 WeakPolarHBondContact CB-O 3.43Å; S130-W299 PolarHBondContact OG-O 3.17Å; I132-W299 HydrophobicContact CD1-CB 3.91Å; K218-W299 HydrophobicContact CD-CZ3 4.35Å; K218-W299 HydrophobicContact CG-CE3 4.49Å; V220-W299 HydrophobicContact CG2-CB 4.35Å; V220-W299 HydrophobicContact CG2-CD2 3.84Å; V220-W299 HydrophobicContact CG2-CG 3.68Å; V220-W299 HydrophobicContact CG2-CZ2 4.45Å; F273-W299 HydrophobicContact CB-CH2 4.5Å; F273-W299 HydrophobicContact CB-CZ2 3.96Å; F273-W299 AromaticContact CD1-CH2 3.46Å; F273-W299 HydrophobicContact CD1-CH2 3.46Å; F273-W299 VanDerWaalsContact CD1-CH2 3.46Å; F273-W299 AromaticContact CD1-CZ2 3.66Å; F273-W299 HydrophobicContact CD1-CZ2 3.66Å; F273-W299 AromaticContact CD2-CH2 3.72Å; F273-W299 HydrophobicContact CD2-CH2 3.72Å; F273-W299 AromaticContact CD2-CZ2 3.93Å; F273-W299 HydrophobicContact CD2-CZ2 3.93Å; F273-W299 HydrophobicContact CD2-CZ3 4.25Å; F273-W299 AromaticContact CE1-CH2 3.43Å; F273-W299 HydrophobicContact CE1-CH2 3.43Å; F273-W299 VanDerWaalsContact CE1-CH2 3.43Å; F273-W299 HydrophobicContact CE1-CZ2 4.13Å; F273-W299 HydrophobicContact CE1-CZ3 4.29Å; F273-W299 AromaticContact CE2-CH2 3.7Å; F273-W299 HydrophobicContact CE2-CH2 3.7Å; F273-W299 HydrophobicContact CE2-CZ2 4.38Å; F273-W299 AromaticContact CE2-CZ3 3.96Å; F273-W299 HydrophobicContact CE2-CZ3 3.96Å; F273-W299 AromaticContact CG-CH2 3.6Å; F273-W299 HydrophobicContact CG-CH2 3.6Å; F273-W299 AromaticContact CG-CZ2 3.54Å; F273-W299 HydrophobicContact CG-CZ2 3.54Å; F273-W299 AromaticContact CZ-CH2 3.55Å; F273-W299 HydrophobicContact CZ-CH2 3.55Å; F273-W299 HydrophobicContact CZ-CZ2 4.46Å; F273-W299 AromaticContact CZ-CZ3 3.97Å; F273-W299 HydrophobicContact CZ-CZ3 3.97Å; C295-W299 PolarHBondContact O-NE1 3.2Å; C295-W299 VanDerWaalsContact O-NE1 3.13Å; I296-W299 WeakPolarHBondContact O-CB 3.48Å; I296-W299 PolarHBondContact O-N 3.13Å; E297-W299 PolarHBondContact O-N 3.16Å
300	L	96.8	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.			trans	-100.2	37.4	-179.8	-56.7	-177.3	0	0	0	112.2	V38 I58 H62 H105 I107 I132 F292 I296 E297	V38-L300 HydrophobicContact CG1-CD2 4.38Å; V38-L300 HydrophobicContact CG2-CD1 4.42Å; V38-L300 HydrophobicContact CG2-CD2 4.02Å; I58-L300 HydrophobicContact CD1-CD1 4.14Å; I58-L300 HydrophobicContact CG1-CD1 3.81Å; I58-L300 HydrophobicContact CG2-CD1 4.5Å; H62-L300 PolarHBondContact CE1-O 3.18Å; H62-L300 PolarHBondContact ND1-O 2.81Å; H62-L300 VanDerWaalsContact ND1-O 3.1Å; H105-L300 HydrophobicContact CB-CD2 3.82Å; I107-L300 HydrophobicContact CD1-CD1 4.16Å; I107-L300 HydrophobicContact CD1-CD2 4.14Å; I107-L300 HydrophobicContact CG1-CD2 4.35Å; I132-L300 HydrophobicContact CD1-CD2 3.82Å; I132-L300 HydrophobicContact CD1-CG 4.46Å; F292-L300 HydrophobicContact CE2-CD1 4.24Å; I296-L300 HydrophobicContact CG2-CD1 3.81Å; I296-L300 HydrophobicContact CG2-CG 4.15Å; E297-L300 PolarHBondContact O-N 2.99Å
301	V	85.6	Confident	97	Very high	95 Å²	95	41.9 Å²	41.9	58%	0.576	21%	0.211	S	C	*	.			trans	-104.6	0	-179.9	-63.6	0	0	0	0	112.4	H105	H105-V301 PolarHBondContact CE1-O 3.31Å; H105-V301 PolarHBondContact NE2-O 2.96Å

Retrieved 301 of 301 residues in 786.8 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).