A0A087X5J4_POEFO Loading...

Hyaluronidase

AlphaFold DB , UniProt , Accession A0A087X5J4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.3	Very low	33.2	Very low	239 Å²	239	165.9 Å²	165.9	100%	1.177	84%	0.837	S	S	*	*				0	117.8	0	-76.3	170.6	71	0	0	106.5
2	V	32.6	Very low	33.1	Very low	133 Å²	133	163.8 Å²	163.8	81%	0.806	83%	0.829	S	S	*	*			cis	-151.9	149.7	5.8	161.8	0	0	0	0	105.5
3	L	30.9	Very low	33.4	Very low	141 Å²	141	162.8 Å²	162.8	74%	0.738	83%	0.825	S	S	*	*			trans	-60.8	151.8	178.4	-75	80.5	0	0	0	113.8
4	S	32.3	Very low	33.4	Very low	123 Å²	123	159 Å²	159	86%	0.86	81%	0.814	S	S	*	*				-158.5	129.7	124.8	-168	0	0	0	0	111.8
5	H	33.3	Very low	33.6	Very low	139 Å²	139	159.7 Å²	159.7	64%	0.644	82%	0.819	S	S	*	*			trans	-85.6	145.4	177.5	-72.1	-82.6	0	0	0	111.1
6	L	32.3	Very low	33.5	Very low	180 Å²	180	159.1 Å²	159.1	94%	0.942	82%	0.817	S	S	*	*			trans	-153.2	141	132.4	-141	70.5	0	0	0	111.7
7	R	33.1	Very low	33.3	Very low	220 Å²	220	156.5 Å²	156.5	83%	0.83	81%	0.813	S	S	*	*			trans	-92.2	137.3	-153.6	-67.9	167.7	173	-173.5	-2.2	112.2
8	F	34.2	Very low	33.4	Very low	206 Å²	206	162 Å²	162	90%	0.904	82%	0.821	S	S	*	*			trans	-66.7	125.6	155.2	-113.7	-97.5	0	0	0	108.6
9	L	32.2	Very low	33.1	Very low	152 Å²	152	158.1 Å²	158.1	80%	0.796	82%	0.816	S	S	*	*			trans	-110.5	108.7	169.1	-147.4	88.7	0	0	0	109.2
10	I	35.4	Very low	33	Very low	138 Å²	138	156.1 Å²	156.1	71%	0.708	82%	0.816	S	S	*	*			trans	-71.6	121.7	171.3	-66.1	166.9	0	0	0	107.6	L12	I10-L12 PolarHBondContact O-N 3.28Å
11	L	33.9	Very low	32.8	Very low	154 Å²	154	156.8 Å²	156.8	81%	0.806	82%	0.82	S	S	*	*			trans	-80.7	102.2	175.6	-136.8	96.7	0	0	0	109.2	I13	L11-I13 PolarHBondContact O-N 3.06Å
12	L	31.7	Very low	32.4	Very low	141 Å²	141	149.7 Å²	149.7	74%	0.738	79%	0.794	S	S	*	*			trans	-72.2	115.1	168.3	-111.9	95.6	0	0	0	109.4	I10 T14	I10-L12 PolarHBondContact O-N 3.28Å; L12-T14 PolarHBondContact O-N 2.84Å
13	I	37.6	Very low	32.2	Very low	151 Å²	151	151.5 Å²	151.5	77%	0.774	79%	0.794	S	S	*	*			trans	-76	102.5	168.6	-62.6	171.2	0	0	0	107.6	L11	L11-I13 PolarHBondContact O-N 3.06Å
14	T	32.8	Very low	32.1	Very low	109 Å²	109	151.6 Å²	151.6	67%	0.669	80%	0.795	S	S	*	*			trans	-89.9	114.8	167.6	45.4	0	0	0	0	109.5	L12 L16	L12-T14 PolarHBondContact O-N 2.84Å; T14-L16 PolarHBondContact O-N 3.31Å
15	L	36.7	Very low	31.9	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	78%	0.782	S	S	*	*			trans	-68.8	102.3	168.7	-83.6	144.8	0	0	0	109.1
16	L	31.5	Very low	31.7	Very low	150 Å²	150	150 Å²	150	79%	0.785	79%	0.79	S	S	*	*			trans	-90	138.9	167.1	-79.9	159.1	0	0	0	110.1	T14	T14-L16 PolarHBondContact O-N 3.31Å
17	P	30.2	Very low	32	Very low	115 Å²	115	147.1 Å²	147.1	75%	0.747	77%	0.771	S	S	*	*			trans	-69.1	138.7	-177.7	29	-33.5	0	0	0	110.7	A19	P17-A19 PolarHBondContact O-N 3.28Å
18	R	34.5	Very low	32.4	Very low	255 Å²	255	141.4 Å²	141.4	96%	0.962	76%	0.763	S	S	*	*			trans	-55.9	95.7	172.1	-95.5	177.5	169.6	163.4	-2.1	110.1	S20	R18-S20 PolarHBondContact O-N 3.21Å
19	A	29.3	Very low	33.4	Very low	88 Å²	88	138 Å²	138	73%	0.727	75%	0.754	S	S	*	*			trans	-67.2	121.9	160.5	0	0	0	0	0	108.2	P17 L21	P17-A19 PolarHBondContact O-N 3.28Å; A19-L21 PolarHBondContact O-N 3.15Å
20	S	29.8	Very low	34.5	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	72%	0.72	S	S	*	*			trans	-60.2	105.6	171.3	35.7	0	0	0	0	109.6	R18 S22	R18-S20 PolarHBondContact O-N 3.21Å; S20-S22 PolarHBondContact O-N 2.73Å
21	L	28.3	Very low	35.9	Very low	170 Å²	170	124.9 Å²	124.9	89%	0.89	69%	0.688	S	S	*	*			trans	-63	97.2	167.9	-89.4	149.9	0	0	0	108.9	A19 E23	A19-L21 PolarHBondContact O-N 3.15Å; L21-E23 PolarHBondContact O-N 2.47Å; L21-E23 VanDerWaalsContact O-N 3.16Å
22	S	28	Very low	37.3	Very low	91 Å²	91	118 Å²	118	64%	0.636	65%	0.654	S	S	*	*			trans	-58.4	107.8	157.7	162.3	0	0	0	0	108.1	S20 N24	S20-S22 PolarHBondContact O-N 2.73Å; S22-N24 PolarHBondContact O-N 3.21Å
23	E	29.1	Very low	38.7	Very low	171 Å²	171	111.4 Å²	111.4	80%	0.799	62%	0.619	S	S	*	*			trans	-60.6	83.1	168.3	-77.9	-177.8	155.9	0	0	110.6	L21 L25	L21-E23 PolarHBondContact O-N 2.47Å; L21-E23 VanDerWaalsContact O-N 3.16Å; E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 HydrophobicContact CB-CD1 4.4Å; E23-L25 PolarHBondContact O-N 3Å
24	N	27.1	Very low	39.7	Very low	143 Å²	143	104.5 Å²	104.5	77%	0.765	59%	0.586	S	S	*	*			trans	-84.6	79.6	157.8	-97	-16.2	0	0	0	108.1	S22 S26	S22-N24 PolarHBondContact O-N 3.21Å; N24-S26 PolarHBondContact O-N 3Å
25	L	30	Very low	40.8	Very low	112 Å²	112	100.7 Å²	100.7	59%	0.586	56%	0.563	S	S	*	*			trans	-73.1	81.6	163.6	-91.9	129.3	0	0	0	109	E23 H27	E23-L25 VanDerWaalsContact C-N 3.3Å; E23-L25 HydrophobicContact CB-CD1 4.4Å; E23-L25 PolarHBondContact O-N 3Å; L25-H27 VanDerWaalsContact CD2-NE2 3.29Å; L25-H27 WeakPolarHBondContact CD2-NE2 3.13Å; L25-H27 PolarHBondContact O-N 2.88Å
26	S	29.1	Very low	41.8	Very low	115 Å²	115	96.4 Å²	96.4	80%	0.804	54%	0.541	S	S	*	.			trans	-74	74.4	160.4	36.6	0	0	0	0	109.2	N24	N24-S26 PolarHBondContact O-N 3Å
27	H	37.4	Very low	43	Very low	120 Å²	120	90.4 Å²	90.4	56%	0.556	51%	0.51	S	S	*	.			trans	-64.9	140.6	162.1	-81.6	-48.4	0	0	0	109.1	L25 N29	L25-H27 VanDerWaalsContact CD2-NE2 3.29Å; L25-H27 WeakPolarHBondContact CD2-NE2 3.13Å; L25-H27 PolarHBondContact O-N 2.88Å; H27-N29 PolarHBondContact O-N 3.43Å
28	P	40.8	Very low	44.7	Very low	101 Å²	101	91.2 Å²	91.2	66%	0.656	50%	0.498	S	S	*	.			trans	-56	114.5	171.6	22.2	-30	0	0	0	108	A30	P28-A30 PolarHBondContact O-N 3.11Å
29	N	55.6	Low	46.7	Very low	133 Å²	133	85.6 Å²	85.6	71%	0.711	49%	0.487	S	S	*	.			trans	-58.1	104.3	-173.5	-82.7	-45.2	0	0	0	109.2	H27 A31 R423	H27-N29 PolarHBondContact O-N 3.43Å; N29-A31 PolarHBondContact O-N 3.26Å; N29-R423 PolarHBondContact OD1-NH1 3.42Å
30	A	56.3	Low	49.3	Very low	10 Å²	10	86 Å²	86	8%	0.083	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-55.9	138.1	166.5	0	0	0	0	0	108.5	P28 A32 L285 N294 A296	P28-A30 PolarHBondContact O-N 3.11Å; A30-A32 PolarHBondContact O-N 3.47Å; A30-L285 HydrophobicContact CB-CD2 4.08Å; A30-N294 CarbonylContact C-O 3.59Å; A30-N294 WeakPolarHBondContact CA-O 3.45Å; A30-A296 HydrophobicContact CB-CB 4.13Å
31	A	64.9	Low	52.1	Low	5 Å²	5	81.1 Å²	81.1	4%	0.041	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-59.8	133.8	172.2	0	0	0	0	0	108.2	N29 N294 Q295 A296 C424 M437	N29-A31 PolarHBondContact O-N 3.26Å; A31-N294 PolarHBondContact N-O 3.49Å; A31-Q295 CarbonylContact O-C 3.6Å; A31-A296 WeakPolarHBondContact O-CB 3.32Å; A31-A296 PolarHBondContact O-N 3.05Å; A31-C424 CarbonylContact C-O 3.38Å; A31-C424 VanDerWaalsContact CA-O 3.28Å; A31-C424 WeakPolarHBondContact CA-O 3.38Å; A31-M437 HydrophobicContact CB-CE 4.44Å
32	A	61.9	Low	55.3	Low	10 Å²	10	73.1 Å²	73.1	8%	0.083	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-52.7	146.6	166.3	0	0	0	0	0	109.5	A30 G34 R384 R423 C424 Y425	A30-A32 PolarHBondContact O-N 3.47Å; A32-G34 PolarHBondContact O-N 3.3Å; A32-R384 HydrophobicContact CB-CG 4.44Å; A32-R423 HydrophobicContact CB-CB 3.93Å; A32-C424 WeakPolarHBondContact CB-O 3.37Å; A32-C424 PolarHBondContact N-O 2.9Å; A32-Y425 HydrophobicContact CB-CD1 4.31Å
33	A	60.9	Low	58.5	Low	2 Å²	2	69.2 Å²	69.2	2%	0.017	37%	0.365	C	S	.	.			trans	-45.8	134.4	164.8	0	0	0	0	0	109.4	Q295 A296 P298 R384 Y425	A33-Q295 VanDerWaalsContact CA-NE2 3.31Å; A33-Q295 HydrophobicContact CB-CG 4.49Å; A33-A296 WeakPolarHBondContact CB-O 3.48Å; A33-A296 PolarHBondContact N-O 3.44Å; A33-P298 HydrophobicContact CB-CB 3.53Å; A33-P298 HydrophobicContact CB-CG 3.95Å; A33-R384 PolarHBondContact O-NH2 3.37Å; A33-Y425 VanDerWaalsContact O-CD1 3.25Å; A33-Y425 WeakPolarHBondContact O-CD1 3.47Å
34	G	59	Low	61.8	Low	7 Å²	7	61.1 Å²	61.1	7%	0.072	33%	0.327	C	S	.	.			trans	-54.5	171.9	175.8	0	0	0	0	0	110.9	A32 D36 Q295 R384	A32-G34 PolarHBondContact O-N 3.3Å; G34-D36 WeakPolarHBondContact CA-OD1 3.35Å; G34-D36 PolarHBondContact N-OD2 2.98Å; G34-D36 PolarHBondContact O-N 2.8Å; G34-Q295 VanDerWaalsContact N-NE2 3.11Å; G34-R384 PolarHBondContact O-NH2 2.8Å
35	P	55.5	Low	65.1	Low	28 Å²	28	54.3 Å²	54.3	18%	0.182	29%	0.291	C	S	.	.	S	Bend	trans	-71.2	22.8	175	36.6	-38.5	0	0	0	112.5	L37 R38 N39 R40 Y425	P35-L37 PolarHBondContact O-N 3.46Å; P35-R38 PolarHBondContact O-N 3.01Å; P35-N39 WeakPolarHBondContact O-CA 3.14Å; P35-N39 PolarHBondContact O-N 3.25Å; P35-R40 WeakPolarHBondContact CB-O 3.49Å; P35-Y425 HydrophobicContact CB-CE2 4.43Å; P35-Y425 HydrophobicContact CG-CE2 4.34Å
36	D	57.6	Low	68.4	Low	81 Å²	81	49.3 Å²	49.3	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.1	-153.7	-61.1	-21.4	0	0	0	115.2	G34 F207 Q295	G34-D36 WeakPolarHBondContact CA-OD1 3.35Å; G34-D36 PolarHBondContact N-OD2 2.98Å; G34-D36 PolarHBondContact O-N 2.8Å; D36-F207 HydrophobicContact CB-CE1 4.36Å; D36-F207 HydrophobicContact CB-CZ 3.73Å; D36-Q295 PolarHBondContact OD2-NE2 3.27Å
37	L	58.6	Low	71.6	Confident	24 Å²	24	44 Å²	44	13%	0.126	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-31.2	174.6	-97.5	152.8	0	0	0	113.1	P35 V43 V134 F207 L300	P35-L37 PolarHBondContact O-N 3.46Å; L37-V43 HydrophobicContact CB-CG1 4.13Å; L37-V43 HydrophobicContact CD1-CG1 3.97Å; L37-V134 HydrophobicContact CD1-CG2 3.87Å; L37-V134 HydrophobicContact CD2-CG2 3.79Å; L37-F207 HydrophobicContact CB-CE2 4.45Å; L37-F207 HydrophobicContact CB-CZ 4.35Å; L37-F207 HydrophobicContact CD1-CD1 3.87Å; L37-F207 HydrophobicContact CD1-CD2 4.02Å; L37-F207 HydrophobicContact CD1-CE1 3.98Å; L37-F207 HydrophobicContact CD1-CE2 4.17Å; L37-F207 HydrophobicContact CD1-CG 3.91Å; L37-F207 HydrophobicContact CD1-CZ 4.14Å; L37-F207 HydrophobicContact CD2-CD2 3.78Å; L37-F207 HydrophobicContact CD2-CE2 3.85Å; L37-F207 HydrophobicContact CD2-CG 4.44Å; L37-F207 HydrophobicContact CD2-CZ 4.49Å; L37-F207 HydrophobicContact CG-CD1 4.22Å; L37-F207 HydrophobicContact CG-CD2 3.67Å; L37-F207 HydrophobicContact CG-CE1 3.98Å; L37-F207 HydrophobicContact CG-CE2 3.46Å; L37-F207 VanDerWaalsContact CG-CE2 3.46Å; L37-F207 HydrophobicContact CG-CG 4.08Å; L37-F207 HydrophobicContact CG-CZ 3.62Å; L37-L300 HydrophobicContact CD1-CD1 4.33Å; L37-L300 HydrophobicContact CD1-CD2 3.54Å
38	R	66.1	Low	74.5	Confident	131 Å²	131	38.4 Å²	38.4	49%	0.494	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-164	19.9	-177.8	-75.8	-52.4	175.3	159.8	-5.8	115.3	P35 R40 V69 N80	P35-R38 PolarHBondContact O-N 3.01Å; R38-R40 HydrophobicContact CB-CG 4.35Å; R38-R40 PolarHBondContact O-N 3.23Å; R38-V69 HydrophobicContact CG-CG2 4.04Å; R38-N80 PolarHBondContact NH2-OD1 3.43Å
39	N	75.2	Confident	77	Confident	137 Å²	137	34.9 Å²	34.9	73%	0.733	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.9	-169.3	-67.6	-19.7	0	0	0	113.2	P35	P35-N39 WeakPolarHBondContact O-CA 3.14Å; P35-N39 PolarHBondContact O-N 3.25Å
40	R	84.3	Confident	79	Confident	96 Å²	96	28.6 Å²	28.6	36%	0.362	15%	0.145	S	C	.	.			trans	-120.8	146.2	177.7	-69.2	175.4	176.1	-173.3	-0.8	111.4	P35 R38 F42	P35-R40 WeakPolarHBondContact CB-O 3.49Å; R38-R40 HydrophobicContact CB-CG 4.35Å; R38-R40 PolarHBondContact O-N 3.23Å; R40-F42 PolarHBondContact O-N 3.44Å
41	P	89.5	Confident	80.9	Confident	17 Å²	17	28.8 Å²	28.8	11%	0.11	15%	0.146	C	C	.	.	S	Bend	trans	-69.6	-22.1	177.9	27.6	-34.1	0	0	0	113.6	A371 R384 Y425	P41-A371 HydrophobicContact CG-CB 4.29Å; P41-R384 HydrophobicContact CB-CB 4.45Å; P41-Y425 VanDerWaalsContact CA-OH 3.28Å; P41-Y425 WeakPolarHBondContact CA-OH 3.45Å; P41-Y425 WeakPolarHBondContact CB-OH 3.3Å
42	F	94.7	Very high	82.3	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	16%	0.159	C	C	.	.	S	Bend	trans	-147.9	127.4	176.5	-172.7	-107.9	0	0	0	110.5	R40 V44 I323 V327 A332 G333 V334 L367 R368 A371	R40-F42 PolarHBondContact O-N 3.44Å; F42-V44 HydrophobicContact CD1-CG2 4.25Å; F42-V44 HydrophobicContact CE1-CG2 3.84Å; F42-I323 HydrophobicContact CE1-CG2 3.91Å; F42-I323 HydrophobicContact CZ-CG2 3.88Å; F42-V327 HydrophobicContact CB-CG2 3.71Å; F42-V327 HydrophobicContact CD1-CB 4.19Å; F42-V327 HydrophobicContact CD1-CG2 4.09Å; F42-V327 HydrophobicContact CD2-CB 3.6Å; F42-V327 HydrophobicContact CD2-CG2 3.51Å; F42-V327 HydrophobicContact CE1-CB 4.16Å; F42-V327 HydrophobicContact CE2-CB 3.57Å; F42-V327 HydrophobicContact CE2-CG2 4.05Å; F42-V327 HydrophobicContact CG-CB 3.89Å; F42-V327 HydrophobicContact CG-CG2 3.5Å; F42-V327 HydrophobicContact CZ-CB 3.84Å; F42-A332 WeakPolarHBondContact CA-O 3.42Å; F42-G333 VanDerWaalsContact CE2-CA 3.48Å; F42-V334 HydrophobicContact CE1-CG2 4.49Å; F42-V334 HydrophobicContact CE2-CG1 4.19Å; F42-V334 HydrophobicContact CZ-CB 4.46Å; F42-V334 HydrophobicContact CZ-CG1 3.67Å; F42-V334 HydrophobicContact CZ-CG2 4.18Å; F42-L367 HydrophobicContact CE1-CD2 3.94Å; F42-R368 HydrophobicContact CD1-CG 4.35Å; F42-A371 HydrophobicContact CB-CB 4.3Å
43	V	95.1	Very high	84	Confident	8 Å²	8	30.8 Å²	30.8	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140	179.6	68	0	0	0	0	111.6	L37 V45 V69 L300 A332 G333 V334	L37-V43 HydrophobicContact CB-CG1 4.13Å; L37-V43 HydrophobicContact CD1-CG1 3.97Å; V43-V45 HydrophobicContact CG1-CG2 4.27Å; V43-V45 HydrophobicContact CG2-CG2 3.96Å; V43-V69 HydrophobicContact CG2-CB 4.48Å; V43-V69 HydrophobicContact CG2-CG2 3.64Å; V43-L300 HydrophobicContact CG1-CD2 3.98Å; V43-A332 PolarHBondContact N-O 3.1Å; V43-G333 CarbonylContact O-C 3.51Å; V43-G333 WeakPolarHBondContact O-CA 3.45Å; V43-V334 PolarHBondContact O-N 3.42Å
44	V	97.6	Very high	85.7	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.1	171.1	-176.9	0	0	0	0	107.5	F42 I68 V69 V334 L336 I364	F42-V44 HydrophobicContact CD1-CG2 4.25Å; F42-V44 HydrophobicContact CE1-CG2 3.84Å; V44-I68 HydrophobicContact CG1-CG1 4.32Å; V44-I68 HydrophobicContact CG1-CG2 4.28Å; V44-V69 PolarHBondContact O-N 3.03Å; V44-V334 HydrophobicContact CB-CG2 4.27Å; V44-V334 HydrophobicContact CG1-CG2 3.89Å; V44-V334 HydrophobicContact CG2-CG2 4.01Å; V44-L336 HydrophobicContact CG1-CD1 3.43Å; V44-L336 VanDerWaalsContact CG1-CD1 3.43Å; V44-L336 HydrophobicContact CG1-CG 3.78Å; V44-I364 HydrophobicContact CB-CD1 4.49Å; V44-I364 HydrophobicContact CG1-CD1 3.91Å; V44-I364 HydrophobicContact CG2-CD1 4.38Å; V44-I364 HydrophobicContact CG2-CG1 4.38Å; V44-I364 HydrophobicContact CG2-CG2 3.99Å
45	V	97.8	Very high	87.4	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.6	-174.9	-177.2	0	0	0	0	109.9	V43 V69 M81 V134 V334 V335 L336	V43-V45 HydrophobicContact CG1-CG2 4.27Å; V43-V45 HydrophobicContact CG2-CG2 3.96Å; V45-V69 HydrophobicContact CG2-CB 4.43Å; V45-M81 HydrophobicContact CG1-CB 3.77Å; V45-M81 HydrophobicContact CG1-CG 3.99Å; V45-M81 HydrophobicContact CG1-SD 3.94Å; V45-V134 HydrophobicContact CG1-CG2 4.37Å; V45-V134 HydrophobicContact CG2-CG2 4.07Å; V45-V334 PolarHBondContact N-O 3.46Å; V45-V335 HydrophobicContact CB-CG2 4.42Å; V45-L336 PolarHBondContact O-N 3.47Å
46	W	98.1	Very high	89.4	Confident	8 Å²	8	47.5 Å²	47.5	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.9	179.4	-166.5	-109.5	0	0	0	111.6	M48 T50 L61 L63 I68 V69 E70 L305 L336 L352 I356 L360	W46-M48 HydrophobicContact CD2-CB 4.38Å; W46-M48 HydrophobicContact CD2-CG 4.23Å; W46-M48 HydrophobicContact CD2-SD 4.35Å; W46-M48 HydrophobicContact CE3-SD 4.26Å; W46-M48 HydrophobicContact CH2-CG 4.36Å; W46-M48 HydrophobicContact CH2-SD 3.33Å; W46-M48 WeakPolarHBondContact CH2-SD 3.43Å; W46-M48 HydrophobicContact CZ2-CB 3.92Å; W46-M48 HydrophobicContact CZ2-CE 4.48Å; W46-M48 HydrophobicContact CZ2-CG 3.99Å; W46-M48 HydrophobicContact CZ2-SD 3.41Å; W46-M48 WeakPolarHBondContact CZ2-SD 3.4Å; W46-M48 HydrophobicContact CZ3-SD 3.79Å; W46-T50 HydrophobicContact CZ2-CG2 4.05Å; W46-T50 PolarHBondContact NE1-OG1 3Å; W46-L61 HydrophobicContact CZ2-CD1 4.2Å; W46-L63 HydrophobicContact CB-CD1 4.19Å; W46-L63 HydrophobicContact CD2-CD1 3.58Å; W46-L63 HydrophobicContact CD2-CD2 4.1Å; W46-L63 HydrophobicContact CE3-CD1 4.24Å; W46-L63 HydrophobicContact CE3-CD2 3.94Å; W46-L63 HydrophobicContact CG-CD1 3.55Å; W46-L63 HydrophobicContact CH2-CD2 3.96Å; W46-L63 HydrophobicContact CZ2-CD1 4.2Å; W46-L63 HydrophobicContact CZ2-CD2 4.11Å; W46-L63 HydrophobicContact CZ3-CD2 3.86Å; W46-I68 HydrophobicContact CB-CG2 3.86Å; W46-I68 HydrophobicContact CE3-CG2 4.08Å; W46-V69 WeakPolarHBondContact CB-O 3.39Å; W46-V69 PolarHBondContact N-O 3.31Å; W46-E70 HydrophobicContact CB-CB 4.2Å; W46-L305 HydrophobicContact CH2-CD1 3.53Å; W46-L305 HydrophobicContact CZ3-CD1 3.63Å; W46-L336 HydrophobicContact CE3-CB 4.14Å; W46-L336 HydrophobicContact CE3-CD1 3.94Å; W46-L336 HydrophobicContact CZ3-CD1 4.02Å; W46-L352 HydrophobicContact CH2-CD1 4.43Å; W46-L352 HydrophobicContact CZ2-CD2 4.36Å; W46-I356 HydrophobicContact CH2-CD1 3.84Å; W46-I356 HydrophobicContact CH2-CG1 4.39Å; W46-I356 HydrophobicContact CZ2-CD1 4.33Å; W46-L360 HydrophobicContact CZ3-CD2 4.19Å
47	N	97.9	Very high	91.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	51.4	174.9	-170.5	-138.6	0	0	0	110.9	M81 Y302 V335 L336	N47-M81 HydrophobicContact CB-CE 3.84Å; N47-M81 HydrophobicContact CB-CG 3.83Å; N47-M81 HydrophobicContact CB-SD 4.29Å; N47-M81 WeakPolarHBondContact OD1-CE 3.42Å; N47-Y302 PolarHBondContact OD1-OH 3.26Å; N47-V335 HydrophobicContact CB-CG1 3.56Å; N47-L336 CarbonylContact C-O 3.37Å; N47-L336 WeakPolarHBondContact CA-O 3.35Å; N47-L336 PolarHBondContact N-O 3.43Å
48	M	96.3	Very high	93.1	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	23%	0.234	C	C	.	.			trans	-115.9	136.4	175.3	-55.1	-177.5	64.8	0	0	110.9	W46 T50 L305 L336 F342 L352	W46-M48 HydrophobicContact CD2-CB 4.38Å; W46-M48 HydrophobicContact CD2-CG 4.23Å; W46-M48 HydrophobicContact CD2-SD 4.35Å; W46-M48 HydrophobicContact CE3-SD 4.26Å; W46-M48 HydrophobicContact CH2-CG 4.36Å; W46-M48 HydrophobicContact CH2-SD 3.33Å; W46-M48 WeakPolarHBondContact CH2-SD 3.43Å; W46-M48 HydrophobicContact CZ2-CB 3.92Å; W46-M48 HydrophobicContact CZ2-CE 4.48Å; W46-M48 HydrophobicContact CZ2-CG 3.99Å; W46-M48 HydrophobicContact CZ2-SD 3.41Å; W46-M48 WeakPolarHBondContact CZ2-SD 3.4Å; W46-M48 HydrophobicContact CZ3-SD 3.79Å; M48-T50 HydrophobicContact CB-CG2 3.82Å; M48-T50 PolarHBondContact O-N 3.42Å; M48-T50 PolarHBondContact O-OG1 2.94Å; M48-L305 HydrophobicContact CE-CD1 4.2Å; M48-L305 HydrophobicContact SD-CD1 3.59Å; M48-L305 VanDerWaalsContact SD-CD1 3.59Å; M48-L305 HydrophobicContact SD-CG 4.18Å; M48-L336 WeakPolarHBondContact CG-O 3.24Å; M48-F342 HydrophobicContact CE-CB 3.92Å; M48-F342 HydrophobicContact CE-CD1 4.13Å; M48-F342 HydrophobicContact CE-CD2 3.47Å; M48-F342 VanDerWaalsContact CE-CD2 3.47Å; M48-F342 HydrophobicContact CE-CE2 3.99Å; M48-F342 HydrophobicContact CE-CG 3.57Å; M48-L352 HydrophobicContact CE-CD1 4.43Å
49	P	95.4	Very high	94.7	Very high	27 Å²	27	44.8 Å²	44.8	18%	0.175	21%	0.213	C	C	.	.			trans	-76.6	71	-177.6	33.4	-37	0	0	0	111.5	F76 G338 M340 A343	P49-F76 HydrophobicContact CB-CB 4.47Å; P49-F76 HydrophobicContact CB-CD2 3.72Å; P49-F76 HydrophobicContact CB-CE2 4.24Å; P49-F76 HydrophobicContact CB-CG 4.16Å; P49-F76 HydrophobicContact CG-CD2 4.38Å; P49-F76 HydrophobicContact CG-CE2 4.45Å; P49-G338 WeakPolarHBondContact CD-O 3.24Å; P49-M340 HydrophobicContact CB-CG 4.06Å; P49-M340 HydrophobicContact CG-CB 4.29Å; P49-M340 HydrophobicContact CG-CG 3.66Å; P49-A343 WeakPolarHBondContact O-CB 3.29Å
50	T	96.4	Very high	95.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	19%	0.194	C	C	.	.			trans	-107.6	-1	-166	40.4	0	0	0	0	114.2	W46 M48 N52 C53 L61 Q74 A343 L352	W46-T50 HydrophobicContact CZ2-CG2 4.05Å; W46-T50 PolarHBondContact NE1-OG1 3Å; M48-T50 HydrophobicContact CB-CG2 3.82Å; M48-T50 PolarHBondContact O-N 3.42Å; M48-T50 PolarHBondContact O-OG1 2.94Å; T50-N52 PolarHBondContact O-N 2.92Å; T50-C53 WeakPolarHBondContact O-CB 3.26Å; T50-C53 PolarHBondContact O-N 3.49Å; T50-L61 HydrophobicContact CG2-CD1 4.01Å; T50-Q74 PolarHBondContact O-OE1 3.32Å; T50-Q74 PolarHBondContact OG1-OE1 2.92Å; T50-Q74 VanDerWaalsContact OG1-OE1 3.06Å; T50-A343 HydrophobicContact CG2-CB 4.18Å; T50-L352 HydrophobicContact CG2-CD2 3.66Å
51	A	95.6	Very high	96.4	Very high	14 Å²	14	37.3 Å²	37.3	12%	0.116	18%	0.177	C	C	.	.	H	α-helix	trans	-50.7	-29.4	176.8	0	0	0	0	0	114.5	C53 K55 Q74	A51-C53 VanDerWaalsContact C-N 3.28Å; A51-C53 PolarHBondContact O-N 2.95Å; A51-K55 HydrophobicContact CB-CD 4.31Å; A51-K55 VanDerWaalsContact O-CB 3.31Å; A51-K55 WeakPolarHBondContact O-CB 3.31Å; A51-K55 VanDerWaalsContact O-CG 3.24Å; A51-K55 WeakPolarHBondContact O-CG 3.39Å; A51-K55 PolarHBondContact O-N 2.91Å; A51-Q74 HydrophobicContact CB-CB 4.39Å; A51-Q74 WeakPolarHBondContact CB-O 3.42Å
52	N	95.2	Very high	96.7	Very high	57 Å²	57	39.4 Å²	39.4	31%	0.305	19%	0.187	S	C	.	.	H	α-helix	trans	-68.3	-25.2	178	-74.6	-14	0	0	0	113.3	T50 Q54 R56 H57	T50-N52 PolarHBondContact O-N 2.92Å; N52-Q54 PolarHBondContact O-N 3Å; N52-R56 HydrophobicContact CB-CG 4.43Å; N52-R56 WeakPolarHBondContact O-CA 3.49Å; N52-R56 WeakPolarHBondContact O-CB 3.44Å; N52-R56 PolarHBondContact O-N 3.26Å; N52-H57 PolarHBondContact O-N 3.18Å
53	C	97.6	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-49.6	177.1	-67.3	0	0	0	0	111.2	T50 A51 H57 N58 V59 A343 C349	T50-C53 WeakPolarHBondContact O-CB 3.26Å; T50-C53 PolarHBondContact O-N 3.49Å; A51-C53 VanDerWaalsContact C-N 3.28Å; A51-C53 PolarHBondContact O-N 2.95Å; C53-H57 CarbonylContact O-C 3.57Å; C53-H57 WeakPolarHBondContact O-CA 3.48Å; C53-H57 WeakPolarHBondContact O-CB 3.42Å; C53-H57 PolarHBondContact O-N 3.34Å; C53-N58 PolarHBondContact O-N 2.99Å; C53-N58 VanDerWaalsContact O-N 3.1Å; C53-V59 CarbonylContact C-O 3.53Å; C53-V59 HydrophobicContact CB-CB 4.28Å; C53-V59 PolarHBondContact O-N 3.07Å; C53-A343 VanDerWaalsContact SG-CB 3.57Å; C53-C349 WeakPolarHBondContact CA-SG 3.39Å; C53-C349 HydrophobicContact CB-CB 3.61Å; C53-C349 WeakPolarHBondContact CB-SG 3.48Å; C53-C349 VanDerWaalsContact SG-CA 3.6Å; C53-C349 WeakPolarHBondContact SG-CB 3.24Å; C53-C349 CovalentContact SG-SG 2.04Å; C53-C349 PolarHBondContact SG-SG 3.49Å
54	Q	96.1	Very high	96.8	Very high	72 Å²	72	45.3 Å²	45.3	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-71.7	-55.5	173.8	-169.5	-179.7	19.2	0	0	110.9	N52 R56 N58 V59 H60	N52-Q54 PolarHBondContact O-N 3Å; Q54-R56 PolarHBondContact O-N 3.02Å; Q54-N58 WeakPolarHBondContact O-CA 3.24Å; Q54-N58 PolarHBondContact O-N 3.39Å; Q54-N58 VanDerWaalsContact O-N 3.09Å; Q54-V59 WeakPolarHBondContact CA-O 3.45Å; Q54-V59 PolarHBondContact N-O 3.27Å; Q54-V59 VanDerWaalsContact N-O 3.15Å; Q54-H60 PolarHBondContact NE2-CD2 3.21Å; Q54-H60 PolarHBondContact NE2-NE2 3.28Å
55	K	95.9	Very high	96.8	Very high	131 Å²	131	50.6 Å²	50.6	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-64.4	-34.2	-168.6	-69.5	177.4	-177.2	-180	0	115	A51	A51-K55 HydrophobicContact CB-CD 4.31Å; A51-K55 VanDerWaalsContact O-CB 3.31Å; A51-K55 WeakPolarHBondContact O-CB 3.31Å; A51-K55 VanDerWaalsContact O-CG 3.24Å; A51-K55 WeakPolarHBondContact O-CG 3.39Å; A51-K55 PolarHBondContact O-N 2.91Å
56	R	96.6	Very high	96.7	Very high	185 Å²	185	51.5 Å²	51.5	70%	0.698	25%	0.247	S	C	*	.	H	α-helix	trans	-111.9	-22.5	-174.3	-62.3	-172.7	175.7	-172.5	-3.4	113.5	N52 Q54	N52-R56 HydrophobicContact CB-CG 4.43Å; N52-R56 WeakPolarHBondContact O-CA 3.49Å; N52-R56 WeakPolarHBondContact O-CB 3.44Å; N52-R56 PolarHBondContact O-N 3.26Å; Q54-R56 PolarHBondContact O-N 3.02Å
57	H	97.6	Very high	96.6	Very high	47 Å²	47	51.7 Å²	51.7	22%	0.218	25%	0.252	C	S	.	.	H	α-helix	trans	-123.1	-2.3	-171.2	-56.6	-44.3	0	0	0	113.7	N52 C53 V59 K346	N52-H57 PolarHBondContact O-N 3.18Å; C53-H57 CarbonylContact O-C 3.57Å; C53-H57 WeakPolarHBondContact O-CA 3.48Å; C53-H57 WeakPolarHBondContact O-CB 3.42Å; C53-H57 PolarHBondContact O-N 3.34Å; H57-V59 HydrophobicContact CB-CG2 4.06Å; H57-V59 PolarHBondContact O-N 2.8Å; H57-K346 HydrophobicContact CB-CB 4Å; H57-K346 HydrophobicContact CB-CG 4.12Å; H57-K346 PolarHBondContact CD2-N 3.2Å; H57-K346 PolarHBondContact NE2-N 3.39Å
58	N	97.3	Very high	96.5	Very high	127 Å²	127	51.7 Å²	51.7	68%	0.679	25%	0.251	S	S	*	.			trans	52.2	34.9	-176	-161.9	32.8	0	0	0	113.1	C53 Q54 H60	C53-N58 PolarHBondContact O-N 2.99Å; C53-N58 VanDerWaalsContact O-N 3.1Å; Q54-N58 WeakPolarHBondContact O-CA 3.24Å; Q54-N58 PolarHBondContact O-N 3.39Å; Q54-N58 VanDerWaalsContact O-N 3.09Å; N58-H60 PolarHBondContact OD1-CE1 3.05Å
59	V	98.3	Very high	96.5	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.036	26%	0.255	C	S	.	.			trans	-103.4	115.1	175.8	-178	0	0	0	0	108.5	C53 Q54 H57 L61 K346 C349 V350 R353	C53-V59 CarbonylContact C-O 3.53Å; C53-V59 HydrophobicContact CB-CB 4.28Å; C53-V59 PolarHBondContact O-N 3.07Å; Q54-V59 WeakPolarHBondContact CA-O 3.45Å; Q54-V59 PolarHBondContact N-O 3.27Å; Q54-V59 VanDerWaalsContact N-O 3.15Å; H57-V59 HydrophobicContact CB-CG2 4.06Å; H57-V59 PolarHBondContact O-N 2.8Å; V59-L61 HydrophobicContact CG1-CD2 4.35Å; V59-K346 HydrophobicContact CG2-CG 4.49Å; V59-C349 HydrophobicContact CB-CB 3.96Å; V59-C349 HydrophobicContact CG1-CB 4.08Å; V59-C349 HydrophobicContact CG2-CB 4.01Å; V59-V350 HydrophobicContact CG2-CG2 3.96Å; V59-R353 HydrophobicContact CG1-CB 3.92Å; V59-R353 HydrophobicContact CG1-CG 4.46Å
60	H	97.1	Very high	96.5	Very high	75 Å²	75	52.2 Å²	52.2	35%	0.347	25%	0.252	S	S	.	.			trans	-88.1	139.8	174.2	-61	82.5	0	0	0	109.2	Q54 N58 D62 R353	Q54-H60 PolarHBondContact NE2-CD2 3.21Å; Q54-H60 PolarHBondContact NE2-NE2 3.28Å; N58-H60 PolarHBondContact OD1-CE1 3.05Å; H60-D62 WeakPolarHBondContact CB-OD1 3.46Å; H60-R353 WeakPolarHBondContact O-CD 3.49Å; H60-R353 VanDerWaalsContact O-CG 3.26Å; H60-R353 WeakPolarHBondContact O-CG 3.28Å
61	L	97.7	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.			trans	-105.7	-11.7	-178.3	-59.9	-171.5	0	0	0	112.8	W46 T50 V59 L63 L352 R353 I356	W46-L61 HydrophobicContact CZ2-CD1 4.2Å; T50-L61 HydrophobicContact CG2-CD1 4.01Å; V59-L61 HydrophobicContact CG1-CD2 4.35Å; L61-L63 HydrophobicContact CB-CD2 4.33Å; L61-L63 HydrophobicContact CB-CG 4.07Å; L61-L63 PolarHBondContact O-N 2.79Å; L61-L352 HydrophobicContact CD1-CD2 3.88Å; L61-L352 HydrophobicContact CD2-CD2 4.4Å; L61-L352 HydrophobicContact CD2-CG 4.4Å; L61-R353 HydrophobicContact CD2-CB 3.84Å; L61-I356 HydrophobicContact CB-CD1 4.04Å; L61-I356 HydrophobicContact CD1-CD1 4.14Å; L61-I356 HydrophobicContact CD2-CD1 4.17Å; L61-I356 HydrophobicContact CG-CD1 4.35Å
62	D	96.3	Very high	96.5	Very high	61 Å²	61	58.6 Å²	58.6	33%	0.326	28%	0.28	S	S	.	.			trans	48.5	38.2	171.6	-49.1	-32.2	0	0	0	114.9	H60 Q64 D65 F66 H357	H60-D62 WeakPolarHBondContact CB-OD1 3.46Å; D62-Q64 PolarHBondContact O-N 2.92Å; D62-D65 WeakPolarHBondContact O-CB 3.29Å; D62-D65 PolarHBondContact O-N 3.35Å; D62-D65 VanDerWaalsContact O-N 3.09Å; D62-F66 WeakPolarHBondContact O-CD2 3.44Å; D62-H357 IonicContact OD2-CE1 3.02Å; D62-H357 PolarHBondContact OD2-CE1 2.84Å; D62-H357 VanDerWaalsContact OD2-CE1 3.3Å; D62-H357 IonicContact OD2-NE2 3.36Å; D62-H357 PolarHBondContact OD2-NE2 3.42Å
63	L	97.6	Very high	96.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.4	-34.9	-173.2	-64.8	174.8	0	0	0	113.2	W46 L61 D65 F66 G67 I68 E70 I356	W46-L63 HydrophobicContact CB-CD1 4.19Å; W46-L63 HydrophobicContact CD2-CD1 3.58Å; W46-L63 HydrophobicContact CD2-CD2 4.1Å; W46-L63 HydrophobicContact CE3-CD1 4.24Å; W46-L63 HydrophobicContact CE3-CD2 3.94Å; W46-L63 HydrophobicContact CG-CD1 3.55Å; W46-L63 HydrophobicContact CH2-CD2 3.96Å; W46-L63 HydrophobicContact CZ2-CD1 4.2Å; W46-L63 HydrophobicContact CZ2-CD2 4.11Å; W46-L63 HydrophobicContact CZ3-CD2 3.86Å; L61-L63 HydrophobicContact CB-CD2 4.33Å; L61-L63 HydrophobicContact CB-CG 4.07Å; L61-L63 PolarHBondContact O-N 2.79Å; L63-D65 VanDerWaalsContact C-N 3.28Å; L63-D65 PolarHBondContact O-N 2.88Å; L63-F66 PolarHBondContact O-N 2.95Å; L63-G67 PolarHBondContact O-N 2.89Å; L63-I68 HydrophobicContact CB-CB 4.14Å; L63-I68 HydrophobicContact CB-CG2 4.42Å; L63-I68 HydrophobicContact CD2-CD1 3.93Å; L63-I68 WeakPolarHBondContact O-CB 3.5Å; L63-I68 PolarHBondContact O-N 3.29Å; L63-E70 HydrophobicContact CD1-CB 4.06Å; L63-I356 HydrophobicContact CD2-CD1 3.84Å; L63-I356 HydrophobicContact CD2-CG2 4.29Å
64	Q	95.3	Very high	96.1	Very high	134 Å²	134	64.3 Å²	64.3	63%	0.626	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-66.2	-27.8	-180	-76.9	173.2	59.1	0	0	113.3	D62 F66 G67 E70	D62-Q64 PolarHBondContact O-N 2.92Å; Q64-F66 PolarHBondContact O-N 2.96Å; Q64-G67 VanDerWaalsContact O-CA 3.27Å; Q64-G67 WeakPolarHBondContact O-CA 3.42Å; Q64-G67 PolarHBondContact O-N 3.31Å; Q64-E70 HydrophobicContact CG-CG 4.19Å; Q64-E70 WeakPolarHBondContact CG-OE1 3.49Å; Q64-E70 PolarHBondContact NE2-OE1 2.97Å
65	D	96.8	Very high	95.9	Very high	113 Å²	113	67.2 Å²	67.2	60%	0.604	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27.8	179.1	-63.2	-6.2	0	0	0	111.2	D62 L63 G67 Q365	D62-D65 WeakPolarHBondContact O-CB 3.29Å; D62-D65 PolarHBondContact O-N 3.35Å; D62-D65 VanDerWaalsContact O-N 3.09Å; L63-D65 VanDerWaalsContact C-N 3.28Å; L63-D65 PolarHBondContact O-N 2.88Å; D65-G67 VanDerWaalsContact C-N 3.32Å; D65-Q365 PolarHBondContact O-NE2 3.05Å
66	F	96.7	Very high	95.7	Very high	18 Å²	18	63.2 Å²	63.2	8%	0.079	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-91.9	1.1	172.6	-49.5	-69.7	0	0	0	112.4	D62 L63 Q64 I68 I356 H357 Q365 R368	D62-F66 WeakPolarHBondContact O-CD2 3.44Å; L63-F66 PolarHBondContact O-N 2.95Å; Q64-F66 PolarHBondContact O-N 2.96Å; F66-I68 VanDerWaalsContact C-N 3.27Å; F66-I68 HydrophobicContact CB-CD1 4.26Å; F66-I68 HydrophobicContact CB-CG1 4.26Å; F66-I68 PolarHBondContact O-N 3.25Å; F66-I356 HydrophobicContact CD2-CG2 3.84Å; F66-I356 HydrophobicContact CE2-CG2 3.7Å; F66-H357 HydrophobicContact CZ-CB 4.44Å; F66-H357 AromaticContact CZ-ND1 3.98Å; F66-Q365 HydrophobicContact CB-CG 4.42Å; F66-Q365 HydrophobicContact CD1-CG 4.22Å; F66-R368 PolarHBondContact O-NH1 3.08Å
67	G	94.1	Very high	95.5	Very high	13 Å²	13	57.5 Å²	57.5	13%	0.134	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	35.6	-176	0	0	0	0	0	113.8	L63 Q64 D65 R368	L63-G67 PolarHBondContact O-N 2.89Å; Q64-G67 VanDerWaalsContact O-CA 3.27Å; Q64-G67 WeakPolarHBondContact O-CA 3.42Å; Q64-G67 PolarHBondContact O-N 3.31Å; D65-G67 VanDerWaalsContact C-N 3.32Å; G67-R368 VanDerWaalsContact CA-NH1 3.28Å; G67-R368 PolarHBondContact O-NH1 2.97Å
68	I	97.3	Very high	95.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.266	C	S	.	.			trans	-78.3	128.3	165.1	-59.5	170.1	0	0	0	107.5	V44 W46 L63 F66 E70 L360 I364	V44-I68 HydrophobicContact CG1-CG1 4.32Å; V44-I68 HydrophobicContact CG1-CG2 4.28Å; W46-I68 HydrophobicContact CB-CG2 3.86Å; W46-I68 HydrophobicContact CE3-CG2 4.08Å; L63-I68 HydrophobicContact CB-CB 4.14Å; L63-I68 HydrophobicContact CB-CG2 4.42Å; L63-I68 HydrophobicContact CD2-CD1 3.93Å; L63-I68 WeakPolarHBondContact O-CB 3.5Å; L63-I68 PolarHBondContact O-N 3.29Å; F66-I68 VanDerWaalsContact C-N 3.27Å; F66-I68 HydrophobicContact CB-CD1 4.26Å; F66-I68 HydrophobicContact CB-CG1 4.26Å; F66-I68 PolarHBondContact O-N 3.25Å; I68-E70 PolarHBondContact O-N 2.63Å; I68-L360 HydrophobicContact CD1-CD2 4.28Å; I68-I364 HydrophobicContact CD1-CD1 3.61Å; I68-I364 HydrophobicContact CG1-CD1 3.71Å; I68-I364 HydrophobicContact CG1-CG2 4.38Å
69	V	96.1	Very high	95.2	Very high	16 Å²	16	52.8 Å²	52.8	10%	0.097	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-77.5	118.2	178.7	177.8	0	0	0	0	109.1	R38 V43 V44 V45 W46 N80	R38-V69 HydrophobicContact CG-CG2 4.04Å; V43-V69 HydrophobicContact CG2-CB 4.48Å; V43-V69 HydrophobicContact CG2-CG2 3.64Å; V44-V69 PolarHBondContact O-N 3.03Å; V45-V69 HydrophobicContact CG2-CB 4.43Å; W46-V69 WeakPolarHBondContact CB-O 3.39Å; W46-V69 PolarHBondContact N-O 3.31Å; V69-N80 HydrophobicContact CG1-CB 3.8Å
70	E	95.8	Very high	95.1	Very high	24 Å²	24	54.5 Å²	54.5	11%	0.112	26%	0.256	C	S	.	.			trans	-122.1	157.6	177.3	63.9	175.4	157.1	0	0	111.6	W46 L63 Q64 I68 Q74 N80	W46-E70 HydrophobicContact CB-CB 4.2Å; L63-E70 HydrophobicContact CD1-CB 4.06Å; Q64-E70 HydrophobicContact CG-CG 4.19Å; Q64-E70 WeakPolarHBondContact CG-OE1 3.49Å; Q64-E70 PolarHBondContact NE2-OE1 2.97Å; I68-E70 PolarHBondContact O-N 2.63Å; E70-Q74 WeakPolarHBondContact OE2-CG 3.26Å; E70-N80 PolarHBondContact O-ND2 3.29Å
71	N	96.7	Very high	95	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	24%	0.239	C	C	.	.			trans	-71.7	155.1	168	-75	-41.4	0	0	0	111.2	R73 Q74 R75 G78 Q79 N80 M81	N71-R73 PolarHBondContact O-N 2.86Å; N71-Q74 WeakPolarHBondContact O-CA 3.42Å; N71-Q74 PolarHBondContact O-N 2.9Å; N71-R75 HydrophobicContact CB-CB 4.32Å; N71-R75 WeakPolarHBondContact CB-O 3.31Å; N71-R75 PolarHBondContact ND2-O 2.91Å; N71-G78 PolarHBondContact ND2-N 3.15Å; N71-G78 VanDerWaalsContact OD1-C 3.27Å; N71-G78 WeakPolarHBondContact OD1-CA 3.45Å; N71-Q79 PolarHBondContact OD1-N 3.41Å; N71-N80 WeakPolarHBondContact OD1-CB 3.44Å; N71-N80 PolarHBondContact OD1-N 3.41Å; N71-M81 PolarHBondContact ND2-O 3.18Å; N71-M81 PolarHBondContact OD1-N 2.84Å; N71-M81 PolarHBondContact OD1-O 2.62Å
72	Q	94.3	Very high	95	Very high	142 Å²	142	51 Å²	51	66%	0.664	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-51.9	128.8	173.1	-167.2	-176.2	21.3	0	0	111.1	Q74 R75	Q72-Q74 PolarHBondContact O-N 2.72Å; Q72-R75 WeakPolarHBondContact O-CG 3.21Å; Q72-R75 PolarHBondContact O-N 2.68Å
73	R	91.9	Very high	95.1	Very high	166 Å²	166	48 Å²	48	63%	0.626	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	53.8	32.2	-176.5	-58.3	176.6	-175.3	179.4	1.8	113.3	N71 R75	N71-R73 PolarHBondContact O-N 2.86Å; R73-R75 PolarHBondContact O-N 2.75Å
74	Q	92.4	Very high	95.1	Very high	11 Å²	11	48 Å²	48	5%	0.051	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	52	29.8	-179.2	-66.4	175	40	0	0	114	T50 A51 E70 N71 Q72 F76	T50-Q74 PolarHBondContact O-OE1 3.32Å; T50-Q74 PolarHBondContact OG1-OE1 2.92Å; T50-Q74 VanDerWaalsContact OG1-OE1 3.06Å; A51-Q74 HydrophobicContact CB-CB 4.39Å; A51-Q74 WeakPolarHBondContact CB-O 3.42Å; E70-Q74 WeakPolarHBondContact OE2-CG 3.26Å; N71-Q74 WeakPolarHBondContact O-CA 3.42Å; N71-Q74 PolarHBondContact O-N 2.9Å; Q72-Q74 PolarHBondContact O-N 2.72Å; Q74-F76 PolarHBondContact O-N 3.49Å
75	R	92.3	Very high	95.2	Very high	134 Å²	134	45 Å²	45	51%	0.506	21%	0.208	S	C	.	.			trans	-57.3	136	174.8	-77.1	-179.5	168.8	159.8	-2.8	109.7	N71 Q72 R73 Q77	N71-R75 HydrophobicContact CB-CB 4.32Å; N71-R75 WeakPolarHBondContact CB-O 3.31Å; N71-R75 PolarHBondContact ND2-O 2.91Å; Q72-R75 WeakPolarHBondContact O-CG 3.21Å; Q72-R75 PolarHBondContact O-N 2.68Å; R73-R75 PolarHBondContact O-N 2.75Å; R75-Q77 VanDerWaalsContact C-N 3.31Å; R75-Q77 WeakPolarHBondContact CB-O 3.46Å; R75-Q77 PolarHBondContact O-N 2.81Å
76	F	91.5	Very high	95	Very high	47 Å²	47	43.2 Å²	43.2	21%	0.206	19%	0.192	C	C	.	.	S	Bend	trans	-67.1	-35.5	-177.5	-172.1	-111.7	0	0	0	112.6	P49 Q74 I83 Y85	P49-F76 HydrophobicContact CB-CB 4.47Å; P49-F76 HydrophobicContact CB-CD2 3.72Å; P49-F76 HydrophobicContact CB-CE2 4.24Å; P49-F76 HydrophobicContact CB-CG 4.16Å; P49-F76 HydrophobicContact CG-CD2 4.38Å; P49-F76 HydrophobicContact CG-CE2 4.45Å; Q74-F76 PolarHBondContact O-N 3.49Å; F76-I83 HydrophobicContact CD1-CG2 4.29Å; F76-I83 HydrophobicContact CE1-CG2 3.33Å; F76-I83 HydrophobicContact CE2-CG2 4.4Å; F76-I83 HydrophobicContact CZ-CG2 3.4Å; F76-Y85 HydrophobicContact CE1-CD2 4.5Å; F76-Y85 AromaticContact CE1-CE2 3.5Å; F76-Y85 HydrophobicContact CE1-CE2 3.5Å; F76-Y85 AromaticContact CE1-CZ 3.96Å; F76-Y85 AromaticContact CZ-CE2 3.96Å; F76-Y85 HydrophobicContact CZ-CE2 3.96Å; F76-Y85 AromaticContact CZ-CZ 3.92Å; F76-Y85 VanDerWaalsContact CZ-OH 3.23Å; F76-Y85 WeakPolarHBondContact CZ-OH 3.32Å
77	Q	92.1	Very high	94.8	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	21%	0.212	S	C	.	.	S	Bend	trans	-113	131.4	170	-68.4	178.1	-32.9	0	0	109.4	R75 I83	R75-Q77 VanDerWaalsContact C-N 3.31Å; R75-Q77 WeakPolarHBondContact CB-O 3.46Å; R75-Q77 PolarHBondContact O-N 2.81Å; Q77-I83 PolarHBondContact NE2-O 3.44Å
78	G	94.1	Very high	94.9	Very high	13 Å²	13	52.9 Å²	52.9	13%	0.134	23%	0.231	C	C	.	.	S	Bend	trans	-171.3	-169.2	-177.7	0	0	0	0	0	113.1	N71 M81	N71-G78 PolarHBondContact ND2-N 3.15Å; N71-G78 VanDerWaalsContact OD1-C 3.27Å; N71-G78 WeakPolarHBondContact OD1-CA 3.45Å; G78-M81 PolarHBondContact N-O 2.9Å; G78-M81 CarbonylContact O-C 3.49Å
79	Q	95	Very high	94.9	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.29	23%	0.231	S	C	.	.	S	Bend	trans	-81.5	-15.3	-170.7	-56.7	-55.3	-60	0	0	114.2	N71 L126 F131 G133	N71-Q79 PolarHBondContact OD1-N 3.41Å; Q79-L126 PolarHBondContact NE2-O 3.44Å; Q79-F131 WeakPolarHBondContact O-CD2 3.37Å; Q79-F131 VanDerWaalsContact O-CE2 3.28Å; Q79-F131 WeakPolarHBondContact O-CE2 3.37Å; Q79-G133 WeakPolarHBondContact O-CA 3.33Å
80	N	95.4	Very high	95	Very high	41 Å²	41	52.3 Å²	52.3	22%	0.219	23%	0.229	C	C	.	.	S	Bend	trans	-93.4	-34.2	174.7	-72.4	-29.7	0	0	0	111.8	R38 V69 E70 N71 G133 V134	R38-N80 PolarHBondContact NH2-OD1 3.43Å; V69-N80 HydrophobicContact CG1-CB 3.8Å; E70-N80 PolarHBondContact O-ND2 3.29Å; N71-N80 WeakPolarHBondContact OD1-CB 3.44Å; N71-N80 PolarHBondContact OD1-N 3.41Å; N80-G133 WeakPolarHBondContact O-CA 3.31Å; N80-V134 PolarHBondContact O-N 2.97Å
81	M	96.4	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	128.2	-177.9	176.5	60.5	-158.3	0	0	109.5	V45 N47 N71 G78 I83 V134 V136 Y302 V335	V45-M81 HydrophobicContact CG1-CB 3.77Å; V45-M81 HydrophobicContact CG1-CG 3.99Å; V45-M81 HydrophobicContact CG1-SD 3.94Å; N47-M81 HydrophobicContact CB-CE 3.84Å; N47-M81 HydrophobicContact CB-CG 3.83Å; N47-M81 HydrophobicContact CB-SD 4.29Å; N47-M81 WeakPolarHBondContact OD1-CE 3.42Å; N71-M81 PolarHBondContact ND2-O 3.18Å; N71-M81 PolarHBondContact OD1-N 2.84Å; N71-M81 PolarHBondContact OD1-O 2.62Å; G78-M81 PolarHBondContact N-O 2.9Å; G78-M81 CarbonylContact O-C 3.49Å; M81-I83 HydrophobicContact CE-CB 4.04Å; M81-V134 CarbonylContact C-O 3.36Å; M81-V134 WeakPolarHBondContact CA-O 3.24Å; M81-V134 HydrophobicContact CE-CG1 3.98Å; M81-V134 HydrophobicContact SD-CB 3.46Å; M81-V134 WeakPolarHBondContact SD-CB 3.31Å; M81-V134 HydrophobicContact SD-CG1 3.26Å; M81-V134 WeakPolarHBondContact SD-CG1 3.41Å; M81-V136 HydrophobicContact CE-CB 4.26Å; M81-V136 HydrophobicContact CE-CG2 3.88Å; M81-Y302 WeakPolarHBondContact CE-OH 3.25Å; M81-V335 HydrophobicContact CE-CG1 4.12Å; M81-V335 HydrophobicContact SD-CG1 4.32Å
82	T	97.4	Very high	95.2	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139.2	168.1	-155.1	0	0	0	0	109.7	F84 L127 F131 V134 V136	T82-F84 HydrophobicContact CG2-CD2 4.14Å; T82-F84 HydrophobicContact CG2-CE2 3.37Å; T82-F84 HydrophobicContact CG2-CZ 3.84Å; T82-L127 HydrophobicContact CG2-CD1 4.11Å; T82-L127 HydrophobicContact CG2-CD2 4.04Å; T82-F131 HydrophobicContact CG2-CZ 4.2Å; T82-V134 PolarHBondContact N-O 3.3Å; T82-V136 PolarHBondContact O-N 2.98Å
83	I	97.8	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.5	173.6	-174.3	175.3	0	0	0	108.5	F76 Q77 M81 Y85 V136 D138 Y302	F76-I83 HydrophobicContact CD1-CG2 4.29Å; F76-I83 HydrophobicContact CE1-CG2 3.33Å; F76-I83 HydrophobicContact CE2-CG2 4.4Å; F76-I83 HydrophobicContact CZ-CG2 3.4Å; Q77-I83 PolarHBondContact NE2-O 3.44Å; M81-I83 HydrophobicContact CE-CB 4.04Å; I83-Y85 HydrophobicContact CD1-CD1 4.47Å; I83-Y85 HydrophobicContact CD1-CE1 3.87Å; I83-Y85 HydrophobicContact CG1-CE1 4.47Å; I83-Y85 HydrophobicContact CG2-CE2 4.47Å; I83-V136 CarbonylContact C-O 3.5Å; I83-V136 VanDerWaalsContact CA-O 3.31Å; I83-V136 WeakPolarHBondContact CA-O 3.27Å; I83-V136 HydrophobicContact CB-CB 4.35Å; I83-V136 HydrophobicContact CD1-CG1 4.35Å; I83-V136 HydrophobicContact CG1-CB 4.11Å; I83-V136 HydrophobicContact CG1-CG1 4.1Å; I83-D138 HydrophobicContact CD1-CB 3.86Å; I83-D138 HydrophobicContact CG1-CB 3.87Å; I83-Y302 HydrophobicContact CD1-CE1 4.32Å
84	F	98.1	Very high	95.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	99.5	179.7	-63.9	-80.8	0	0	0	109.8	T82 R88 L89 L123 L126 L127 V136 D138 W208	T82-F84 HydrophobicContact CG2-CD2 4.14Å; T82-F84 HydrophobicContact CG2-CE2 3.37Å; T82-F84 HydrophobicContact CG2-CZ 3.84Å; F84-R88 HydrophobicContact CD1-CB 4.45Å; F84-R88 WeakPolarHBondContact CD1-O 3.36Å; F84-L89 HydrophobicContact CB-CB 3.66Å; F84-L89 HydrophobicContact CB-CD2 4.05Å; F84-L89 HydrophobicContact CB-CG 4.4Å; F84-L89 HydrophobicContact CD1-CB 3.92Å; F84-L89 HydrophobicContact CD1-CD1 3.99Å; F84-L89 HydrophobicContact CD1-CG 4.4Å; F84-L89 HydrophobicContact CD2-CD2 4.1Å; F84-L89 HydrophobicContact CE1-CD1 4.06Å; F84-L89 HydrophobicContact CG-CB 3.89Å; F84-L89 HydrophobicContact CG-CD1 4.22Å; F84-L89 HydrophobicContact CG-CD2 4.01Å; F84-L89 HydrophobicContact CG-CG 4.28Å; F84-L89 HydrophobicContact CZ-CD1 4.37Å; F84-L123 HydrophobicContact CZ-CD2 4.27Å; F84-L126 HydrophobicContact CE1-CD1 3.7Å; F84-L126 HydrophobicContact CZ-CD1 4.46Å; F84-L127 HydrophobicContact CZ-CD1 4.25Å; F84-V136 PolarHBondContact N-O 2.97Å; F84-D138 PolarHBondContact O-N 2.79Å; F84-W208 HydrophobicContact CD2-CZ3 4.22Å; F84-W208 AromaticContact CE2-CH2 3.84Å; F84-W208 HydrophobicContact CE2-CH2 3.84Å; F84-W208 AromaticContact CE2-CZ3 3.72Å; F84-W208 HydrophobicContact CE2-CZ3 3.72Å
85	Y	96.8	Very high	95.9	Very high	71 Å²	71	39.8 Å²	39.8	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	163.9	170.3	-61.6	-61	0	0	0	111.2	F76 I83 N87 R88 D138 W337	F76-Y85 HydrophobicContact CE1-CD2 4.5Å; F76-Y85 AromaticContact CE1-CE2 3.5Å; F76-Y85 HydrophobicContact CE1-CE2 3.5Å; F76-Y85 AromaticContact CE1-CZ 3.96Å; F76-Y85 AromaticContact CZ-CE2 3.96Å; F76-Y85 HydrophobicContact CZ-CE2 3.96Å; F76-Y85 AromaticContact CZ-CZ 3.92Å; F76-Y85 VanDerWaalsContact CZ-OH 3.23Å; F76-Y85 WeakPolarHBondContact CZ-OH 3.32Å; I83-Y85 HydrophobicContact CD1-CD1 4.47Å; I83-Y85 HydrophobicContact CD1-CE1 3.87Å; I83-Y85 HydrophobicContact CG1-CE1 4.47Å; I83-Y85 HydrophobicContact CG2-CE2 4.47Å; Y85-N87 PolarHBondContact O-N 3.01Å; Y85-R88 WeakPolarHBondContact O-CB 3.41Å; Y85-R88 PolarHBondContact O-N 3.09Å; Y85-D138 HydrophobicContact CD1-CB 3.95Å; Y85-D138 WeakPolarHBondContact CD1-OD2 3.34Å; Y85-D138 HydrophobicContact CE1-CB 4.43Å; Y85-D138 WeakPolarHBondContact CE1-OD2 3.36Å; Y85-W337 PolarHBondContact OH-NE1 3.02Å; Y85-W337 VanDerWaalsContact OH-NE1 3.12Å
86	R	93.6	Very high	96.1	Very high	75 Å²	75	34 Å²	34	28%	0.283	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-35.2	-38.8	-177.8	71.4	-173.9	-177.2	162	1.7	117.4	Y92 D138 E141	R86-Y92 HydrophobicContact CB-CD1 3.95Å; R86-Y92 HydrophobicContact CB-CE1 4.22Å; R86-D138 PolarHBondContact N-O 2.88Å; R86-E141 HydrophobicContact CB-CG 4.43Å; R86-E141 WeakPolarHBondContact CD-OE1 3.47Å; R86-E141 IonicContact CZ-OE1 3.68Å; R86-E141 IonicContact NE-OE1 3.75Å; R86-E141 IonicContact NH1-OE1 3.44Å; R86-E141 PolarHBondContact NH1-OE1 3.45Å
87	N	91.9	Very high	96	Very high	93 Å²	93	40.6 Å²	40.6	50%	0.497	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	20.2	-176.2	69.8	-25	0	0	0	113.8	Y85	Y85-N87 PolarHBondContact O-N 3.01Å
88	R	95.3	Very high	96.1	Very high	141 Å²	141	42.4 Å²	42.4	53%	0.532	20%	0.201	S	C	.	.	S	Bend	trans	-121.8	-2.2	-174.4	-59.9	-61	-174.5	174.5	0.6	114.1	F84 Y85 Q122	F84-R88 HydrophobicContact CD1-CB 4.45Å; F84-R88 WeakPolarHBondContact CD1-O 3.36Å; Y85-R88 WeakPolarHBondContact O-CB 3.41Å; Y85-R88 PolarHBondContact O-N 3.09Å; R88-Q122 PolarHBondContact O-OE1 3.32Å
89	L	97.5	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-143.4	108.1	177.5	-170.1	67.2	0	0	0	110.5	F84 V119 L123 I137 T195 V199	F84-L89 HydrophobicContact CB-CB 3.66Å; F84-L89 HydrophobicContact CB-CD2 4.05Å; F84-L89 HydrophobicContact CB-CG 4.4Å; F84-L89 HydrophobicContact CD1-CB 3.92Å; F84-L89 HydrophobicContact CD1-CD1 3.99Å; F84-L89 HydrophobicContact CD1-CG 4.4Å; F84-L89 HydrophobicContact CD2-CD2 4.1Å; F84-L89 HydrophobicContact CE1-CD1 4.06Å; F84-L89 HydrophobicContact CG-CB 3.89Å; F84-L89 HydrophobicContact CG-CD1 4.22Å; F84-L89 HydrophobicContact CG-CD2 4.01Å; F84-L89 HydrophobicContact CG-CG 4.28Å; F84-L89 HydrophobicContact CZ-CD1 4.37Å; L89-V119 HydrophobicContact CD1-CB 4.4Å; L89-V119 HydrophobicContact CD1-CG1 3.88Å; L89-V119 HydrophobicContact CD1-CG2 4.2Å; L89-V119 HydrophobicContact CG-CG1 4.35Å; L89-V119 HydrophobicContact CG-CG2 4.02Å; L89-L123 HydrophobicContact CD1-CD2 4.48Å; L89-I137 HydrophobicContact CD2-CD1 3.78Å; L89-I137 HydrophobicContact CD2-CG1 3.72Å; L89-I137 HydrophobicContact CD2-CG2 4.11Å; L89-T195 HydrophobicContact CD2-CG2 4.14Å; L89-V199 HydrophobicContact CD2-CG1 4.37Å
90	G	98.3	Very high	96.1	Very high	6 Å²	6	48.6 Å²	48.6	6%	0.062	23%	0.233	C	C	.	.	S	Bend	trans	62.7	-169.2	-177.4	0	0	0	0	0	114.1	Y92	G90-Y92 PolarHBondContact O-N 3.34Å
91	N	98.3	Very high	96.2	Very high	42 Å²	42	51.7 Å²	51.7	23%	0.225	25%	0.246	C	C	.	.			trans	-94.5	66.7	173.8	-68.2	-33.1	0	0	0	109.9	P93 N103 S114 H115 L118	N91-P93 WeakPolarHBondContact O-CD 2.97Å; N91-N103 VanDerWaalsContact C-ND2 3.3Å; N91-N103 WeakPolarHBondContact CA-ND2 3.49Å; N91-N103 HydrophobicContact CB-CB 4.39Å; N91-S114 PolarHBondContact ND2-OG 3.03Å; N91-H115 HydrophobicContact CB-CB 4.21Å; N91-H115 PolarHBondContact N-ND1 3.03Å; N91-H115 PolarHBondContact O-ND1 3.18Å; N91-H115 VanDerWaalsContact O-ND1 3.09Å; N91-L118 VanDerWaalsContact OD1-CD2 3.24Å; N91-L118 WeakPolarHBondContact OD1-CD2 3.29Å
92	Y	98.6	Very high	96.3	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	26%	0.255	C	S	.	.			trans	-63	127.1	178.4	174.8	-120.8	0	0	0	110.1	R86 G90 Y94 N103 H115 W139 E141 W142	R86-Y92 HydrophobicContact CB-CD1 3.95Å; R86-Y92 HydrophobicContact CB-CE1 4.22Å; G90-Y92 PolarHBondContact O-N 3.34Å; Y92-Y94 AromaticContact CD1-CD1 3.84Å; Y92-Y94 HydrophobicContact CD1-CD1 3.84Å; Y92-Y94 HydrophobicContact CD1-CG 4.33Å; Y92-Y94 HydrophobicContact CE1-CD1 4.41Å; Y92-Y94 HydrophobicContact CE1-CG 4.45Å; Y92-Y94 VanDerWaalsContact O-CD1 3.31Å; Y92-Y94 WeakPolarHBondContact O-CD1 3.42Å; Y92-N103 PolarHBondContact O-ND2 2.75Å; Y92-H115 PolarHBondContact N-ND1 3.06Å; Y92-W139 HydrophobicContact CD1-CD2 4.24Å; Y92-W139 HydrophobicContact CD1-CG 4.1Å; Y92-W139 AromaticContact CD2-CD2 3.27Å; Y92-W139 HydrophobicContact CD2-CD2 3.27Å; Y92-W139 AromaticContact CD2-CE2 3.59Å; Y92-W139 AromaticContact CD2-CE3 3.24Å; Y92-W139 HydrophobicContact CD2-CE3 3.24Å; Y92-W139 AromaticContact CD2-CG 3.91Å; Y92-W139 HydrophobicContact CD2-CG 3.91Å; Y92-W139 AromaticContact CD2-CH2 3.9Å; Y92-W139 HydrophobicContact CD2-CH2 3.9Å; Y92-W139 AromaticContact CD2-CZ2 3.91Å; Y92-W139 HydrophobicContact CD2-CZ2 3.91Å; Y92-W139 AromaticContact CD2-CZ3 3.57Å; Y92-W139 HydrophobicContact CD2-CZ3 3.57Å; Y92-W139 HydrophobicContact CE1-CB 4.1Å; Y92-W139 HydrophobicContact CE1-CD2 4.38Å; Y92-W139 AromaticContact CE1-CG 3.99Å; Y92-W139 HydrophobicContact CE1-CG 3.99Å; Y92-W139 HydrophobicContact CE2-CB 3.98Å; Y92-W139 AromaticContact CE2-CD2 3.43Å; Y92-W139 HydrophobicContact CE2-CD2 3.43Å; Y92-W139 VanDerWaalsContact CE2-CD2 3.43Å; Y92-W139 AromaticContact CE2-CE3 3.25Å; Y92-W139 HydrophobicContact CE2-CE3 3.25Å; Y92-W139 AromaticContact CE2-CG 3.77Å; Y92-W139 HydrophobicContact CE2-CG 3.77Å; Y92-W139 AromaticContact CE2-CZ3 3.95Å; Y92-W139 HydrophobicContact CE2-CZ3 3.95Å; Y92-W139 AromaticContact CG-CD2 3.71Å; Y92-W139 HydrophobicContact CG-CD2 3.71Å; Y92-W139 AromaticContact CG-CE2 3.66Å; Y92-W139 HydrophobicContact CG-CE3 4.15Å; Y92-W139 HydrophobicContact CG-CG 4.07Å; Y92-W139 HydrophobicContact CG-CZ2 4.09Å; Y92-W139 AromaticContact CG-NE1 3.89Å; Y92-W139 AromaticContact CZ-CG 3.85Å; Y92-E141 HydrophobicContact CE1-CB 3.92Å; Y92-E141 HydrophobicContact CE1-CG 3.88Å; Y92-W142 AromaticContact CD2-CZ2 3.98Å; Y92-W142 HydrophobicContact CD2-CZ2 3.98Å; Y92-W142 HydrophobicContact CE2-CD2 4.3Å; Y92-W142 AromaticContact CE2-CE2 3.38Å; Y92-W142 AromaticContact CE2-CH2 3.92Å; Y92-W142 HydrophobicContact CE2-CH2 3.92Å; Y92-W142 AromaticContact CE2-CZ2 3.19Å; Y92-W142 HydrophobicContact CE2-CZ2 3.19Å; Y92-W142 AromaticContact CE2-NE1 3.52Å; Y92-W142 AromaticContact CZ-CE2 3.64Å; Y92-W142 AromaticContact CZ-CZ2 3.96Å; Y92-W142 AromaticContact CZ-NE1 3.43Å; Y92-W142 PolarHBondContact OH-N 3.29Å; Y92-W142 PolarHBondContact OH-NE1 3.4Å
93	P	98.4	Very high	96.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.			trans	-75.3	127.2	176.2	26.2	-29.8	0	0	0	110.5	N91 V102 N103 P107 W142 F191	N91-P93 WeakPolarHBondContact O-CD 2.97Å; P93-V102 WeakPolarHBondContact CA-O 3.31Å; P93-N103 WeakPolarHBondContact CB-O 3.44Å; P93-P107 HydrophobicContact CG-CB 4.25Å; P93-W142 HydrophobicContact CG-CZ2 4.25Å; P93-W142 PolarHBondContact O-NE1 3.01Å; P93-F191 HydrophobicContact CG-CD1 4.23Å; P93-F191 HydrophobicContact CG-CE1 4.05Å; P93-F191 HydrophobicContact CG-CE2 4.38Å; P93-F191 HydrophobicContact CG-CG 4.48Å; P93-F191 HydrophobicContact CG-CZ 4.14Å
94	Y	98.3	Very high	96.3	Very high	23 Å²	23	57.4 Å²	57.4	9%	0.09	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	162.1	176	69.4	-84.9	0	0	0	112.9	Y92 V102 G105 E141	Y92-Y94 AromaticContact CD1-CD1 3.84Å; Y92-Y94 HydrophobicContact CD1-CD1 3.84Å; Y92-Y94 HydrophobicContact CD1-CG 4.33Å; Y92-Y94 HydrophobicContact CE1-CD1 4.41Å; Y92-Y94 HydrophobicContact CE1-CG 4.45Å; Y92-Y94 VanDerWaalsContact O-CD1 3.31Å; Y92-Y94 WeakPolarHBondContact O-CD1 3.42Å; Y94-V102 HydrophobicContact CD1-CB 4.15Å; Y94-V102 HydrophobicContact CD1-CG1 4.3Å; Y94-V102 HydrophobicContact CE1-CB 3.82Å; Y94-V102 HydrophobicContact CE1-CG1 3.63Å; Y94-V102 HydrophobicContact CE1-CG2 4.37Å; Y94-V102 HydrophobicContact CE2-CB 4.18Å; Y94-V102 HydrophobicContact CE2-CG2 3.96Å; Y94-V102 HydrophobicContact CG-CB 4.47Å; Y94-V102 PolarHBondContact N-O 2.96Å; Y94-V102 WeakPolarHBondContact O-CB 3.49Å; Y94-V102 PolarHBondContact O-N 2.88Å; Y94-G105 CarbonylContact C-O 3.4Å; Y94-G105 VanDerWaalsContact CA-O 3.28Å; Y94-G105 WeakPolarHBondContact CA-O 3.11Å; Y94-G105 PolarHBondContact N-O 2.67Å; Y94-E141 HydrophobicContact CD2-CG 4.28Å; Y94-E141 HydrophobicContact CG-CG 4.16Å
95	I	97.8	Very high	96.3	Very high	21 Å²	21	57.4 Å²	57.4	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.6	171.3	-52.5	169.4	0	0	0	108.2	R100 E155 Y156 L159	I95-R100 WeakPolarHBondContact CA-O 3.43Å; I95-E155 HydrophobicContact CD1-CB 3.98Å; I95-E155 HydrophobicContact CD1-CG 3.51Å; I95-Y156 HydrophobicContact CB-CE1 4.43Å; I95-Y156 HydrophobicContact CD1-CD1 4.03Å; I95-Y156 HydrophobicContact CD1-CD2 4.37Å; I95-Y156 HydrophobicContact CD1-CE1 3.79Å; I95-Y156 HydrophobicContact CD1-CE2 4.16Å; I95-Y156 HydrophobicContact CD1-CG 4.29Å; I95-Y156 HydrophobicContact CG1-CD1 4.38Å; I95-Y156 HydrophobicContact CG1-CE1 3.71Å; I95-Y156 PolarHBondContact N-OH 3.3Å; I95-L159 HydrophobicContact CD1-CD1 3.57Å; I95-L159 HydrophobicContact CG1-CD1 4.18Å
96	S	94.8	Very high	96.4	Very high	11 Å²	11	54.2 Å²	54.2	8%	0.077	27%	0.271	C	S	.	.			trans	-72	169.3	179	65.2	0	0	0	0	112	D98 G99 R100	S96-D98 WeakPolarHBondContact CB-OD1 3.41Å; S96-D98 PolarHBondContact O-N 3.09Å; S96-D98 PolarHBondContact OG-OD1 2.83Å; S96-G99 WeakPolarHBondContact O-CA 3.35Å; S96-G99 PolarHBondContact O-N 2.83Å; S96-R100 PolarHBondContact N-O 2.97Å; S96-R100 WeakPolarHBondContact OG-CA 3.1Å; S96-R100 WeakPolarHBondContact OG-CB 3.12Å; S96-R100 PolarHBondContact OG-N 2.86Å; S96-R100 PolarHBondContact OG-O 3.28Å
97	H	90.9	Very high	96.7	Very high	186 Å²	186	50.7 Å²	50.7	86%	0.861	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.1	-178.3	-174.8	-67	0	0	0	112.7
98	D	93	Very high	97	Very high	104 Å²	104	47.9 Å²	47.9	56%	0.556	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	6.6	172.6	55.4	-28.3	0	0	0	113.1	S96 R100	S96-D98 WeakPolarHBondContact CB-OD1 3.41Å; S96-D98 PolarHBondContact O-N 3.09Å; S96-D98 PolarHBondContact OG-OD1 2.83Å; D98-R100 IonicContact OD1-NE 3.7Å; D98-R100 IonicContact OD1-NH2 3.8Å; D98-R100 IonicContact OD2-CZ 3.38Å; D98-R100 IonicContact OD2-NE 2.73Å; D98-R100 PolarHBondContact OD2-NE 3.43Å; D98-R100 IonicContact OD2-NH2 3.15Å; D98-R100 PolarHBondContact OD2-NH2 3.24Å; D98-R100 VanDerWaalsContact OD2-NH2 3.15Å
99	G	93.4	Very high	97.1	Very high	48 Å²	48	45.3 Å²	45.3	50%	0.495	24%	0.238	S	C	.	.			trans	83.9	6.9	173.8	0	0	0	0	0	115.3	S96	S96-G99 WeakPolarHBondContact O-CA 3.35Å; S96-G99 PolarHBondContact O-N 2.83Å
100	R	96.4	Very high	97.1	Very high	157 Å²	157	46 Å²	46	59%	0.592	25%	0.245	S	C	*	.			trans	-75.8	136.9	177.5	-64.6	-176.8	-72	141.4	-0.2	111	I95 S96 D98 V102	I95-R100 WeakPolarHBondContact CA-O 3.43Å; S96-R100 PolarHBondContact N-O 2.97Å; S96-R100 WeakPolarHBondContact OG-CA 3.1Å; S96-R100 WeakPolarHBondContact OG-CB 3.12Å; S96-R100 PolarHBondContact OG-N 2.86Å; S96-R100 PolarHBondContact OG-O 3.28Å; D98-R100 IonicContact OD1-NE 3.7Å; D98-R100 IonicContact OD1-NH2 3.8Å; D98-R100 IonicContact OD2-CZ 3.38Å; D98-R100 IonicContact OD2-NE 2.73Å; D98-R100 PolarHBondContact OD2-NE 3.43Å; D98-R100 IonicContact OD2-NH2 3.15Å; D98-R100 PolarHBondContact OD2-NH2 3.24Å; D98-R100 VanDerWaalsContact OD2-NH2 3.15Å; R100-V102 PolarHBondContact O-N 3.5Å
101	E	97.8	Very high	97.2	Very high	106 Å²	106	50.4 Å²	50.4	50%	0.495	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	103.1	172.8	-65.8	175	-159.4	0	0	109.4	L159	E101-L159 HydrophobicContact CG-CD1 4.23Å; E101-L159 WeakPolarHBondContact OE1-CD2 3.37Å
102	V	98.2	Very high	97.2	Very high	32 Å²	32	50.4 Å²	50.4	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.6	179.7	-177.3	0	0	0	0	108.9	P93 Y94 R100 G104 G105	P93-V102 WeakPolarHBondContact CA-O 3.31Å; Y94-V102 HydrophobicContact CD1-CB 4.15Å; Y94-V102 HydrophobicContact CD1-CG1 4.3Å; Y94-V102 HydrophobicContact CE1-CB 3.82Å; Y94-V102 HydrophobicContact CE1-CG1 3.63Å; Y94-V102 HydrophobicContact CE1-CG2 4.37Å; Y94-V102 HydrophobicContact CE2-CB 4.18Å; Y94-V102 HydrophobicContact CE2-CG2 3.96Å; Y94-V102 HydrophobicContact CG-CB 4.47Å; Y94-V102 PolarHBondContact N-O 2.96Å; Y94-V102 WeakPolarHBondContact O-CB 3.49Å; Y94-V102 PolarHBondContact O-N 2.88Å; R100-V102 PolarHBondContact O-N 3.5Å; V102-G104 PolarHBondContact O-N 3.22Å; V102-G105 PolarHBondContact O-N 2.87Å
103	N	98.2	Very high	97.2	Very high	65 Å²	65	53.5 Å²	53.5	35%	0.348	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	40.7	-176.5	-52.4	-43	0	0	0	112.7	N91 Y92 P93 G110	N91-N103 VanDerWaalsContact C-ND2 3.3Å; N91-N103 WeakPolarHBondContact CA-ND2 3.49Å; N91-N103 HydrophobicContact CB-CB 4.39Å; Y92-N103 PolarHBondContact O-ND2 2.75Å; P93-N103 WeakPolarHBondContact CB-O 3.44Å; N103-G110 WeakPolarHBondContact O-CA 3.39Å
104	G	97.3	Very high	97.2	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-6.6	-177.3	0	0	0	0	0	115	V102 I106	V102-G104 PolarHBondContact O-N 3.22Å; G104-I106 PolarHBondContact O-N 3.11Å
105	G	98.2	Very high	97.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	75.9	-48.6	173.9	0	0	0	0	0	114.5	Y94 V102 Y156	Y94-G105 CarbonylContact C-O 3.4Å; Y94-G105 VanDerWaalsContact CA-O 3.28Å; Y94-G105 WeakPolarHBondContact CA-O 3.11Å; Y94-G105 PolarHBondContact N-O 2.67Å; V102-G105 PolarHBondContact O-N 2.87Å; G105-Y156 VanDerWaalsContact O-CE1 3.29Å; G105-Y156 WeakPolarHBondContact O-CE1 3.33Å
106	I	98.6	Very high	97.3	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.015	31%	0.309	C	S	.	.	S	Bend	trans	-115.2	153.3	177.7	65.9	179.2	0	0	0	110.4	G104 Q108 L109 Y156 L159 L163	G104-I106 PolarHBondContact O-N 3.11Å; I106-Q108 HydrophobicContact CD1-CB 4.38Å; I106-Q108 HydrophobicContact CG1-CB 4.42Å; I106-Q108 PolarHBondContact O-N 2.94Å; I106-L109 HydrophobicContact CD1-CD1 4.19Å; I106-L109 HydrophobicContact CD1-CG 4.23Å; I106-L109 HydrophobicContact CG1-CB 4.25Å; I106-L109 HydrophobicContact CG1-CD1 4.08Å; I106-L109 HydrophobicContact CG1-CG 3.97Å; I106-L109 PolarHBondContact O-N 3.06Å; I106-Y156 HydrophobicContact CG2-CD1 4.03Å; I106-L159 HydrophobicContact CD1-CB 4.41Å; I106-L159 HydrophobicContact CG2-CB 3.74Å; I106-L159 HydrophobicContact CG2-CD1 4Å; I106-L163 HydrophobicContact CD1-CD2 4.08Å
107	P	98.6	Very high	97.5	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.013	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-61.5	-27.6	-175.5	23.9	-34	0	0	0	114.7	P93 L109 G110 W142 F184 A188 F191	P93-P107 HydrophobicContact CG-CB 4.25Å; P107-L109 PolarHBondContact O-N 3.26Å; P107-G110 PolarHBondContact O-N 3.43Å; P107-W142 HydrophobicContact CB-CH2 4.44Å; P107-W142 HydrophobicContact CB-CZ2 4.03Å; P107-W142 HydrophobicContact CG-CZ2 4.36Å; P107-F184 HydrophobicContact CG-CD2 3.77Å; P107-F184 HydrophobicContact CG-CE2 3.68Å; P107-F184 HydrophobicContact CG-CZ 4.4Å; P107-A188 HydrophobicContact CG-CB 4.11Å; P107-F191 HydrophobicContact CB-CD2 4.16Å; P107-F191 WeakPolarHBondContact O-CE2 3.37Å
108	Q	98.4	Very high	97.8	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.159	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-64.4	-28.5	178.3	-55.7	95.9	-55	0	0	113.4	I106 S160 L163 E183	I106-Q108 HydrophobicContact CD1-CB 4.38Å; I106-Q108 HydrophobicContact CG1-CB 4.42Å; I106-Q108 PolarHBondContact O-N 2.94Å; Q108-S160 PolarHBondContact NE2-OG 3.3Å; Q108-L163 HydrophobicContact CB-CD2 3.9Å; Q108-E183 HydrophobicContact CG-CB 4.05Å
109	L	98.4	Very high	98.1	Very high	86 Å²	86	47.5 Å²	47.5	45%	0.45	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-100.5	3.2	-179.1	-63.3	179.7	0	0	0	112.6	I106 P107 L163	I106-L109 HydrophobicContact CD1-CD1 4.19Å; I106-L109 HydrophobicContact CD1-CG 4.23Å; I106-L109 HydrophobicContact CG1-CB 4.25Å; I106-L109 HydrophobicContact CG1-CD1 4.08Å; I106-L109 HydrophobicContact CG1-CG 3.97Å; I106-L109 PolarHBondContact O-N 3.06Å; P107-L109 PolarHBondContact O-N 3.26Å; L109-L163 HydrophobicContact CD2-CD1 3.93Å; L109-L163 HydrophobicContact CD2-CD2 3.86Å; L109-L163 HydrophobicContact CG-CD2 4.05Å
110	G	98.2	Very high	98.3	Very high	15 Å²	15	48.3 Å²	48.3	16%	0.155	27%	0.268	C	S	.	.	S	Bend	trans	-82.3	137.4	179.2	0	0	0	0	0	112.1	N103 P107 L112	N103-G110 WeakPolarHBondContact O-CA 3.39Å; P107-G110 PolarHBondContact O-N 3.43Å; G110-L112 PolarHBondContact O-N 3.46Å
111	D	98.6	Very high	98.4	Very high	99 Å²	99	45 Å²	45	53%	0.529	27%	0.265	S	S	.	.			trans	-79.7	99.6	170.4	-179	-13.2	0	0	0	110.6	A113 S114 H115	D111-A113 PolarHBondContact O-N 2.7Å; D111-A113 PolarHBondContact OD1-N 3.27Å; D111-S114 PolarHBondContact OD1-N 3.39Å; D111-S114 WeakPolarHBondContact OD2-CB 3.41Å; D111-H115 VanDerWaalsContact O-CB 3.24Å; D111-H115 WeakPolarHBondContact O-CB 3.26Å; D111-H115 PolarHBondContact O-N 3.3Å
112	L	98.8	Very high	98.4	Very high	41 Å²	41	41.9 Å²	41.9	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-35.4	-179.8	-176.2	62.8	0	0	0	112.9	G110 H115 L116 M190 F191 E194	G110-L112 PolarHBondContact O-N 3.46Å; L112-H115 WeakPolarHBondContact O-CB 3.46Å; L112-H115 PolarHBondContact O-N 3Å; L112-L116 HydrophobicContact CD1-CD1 4.08Å; L112-L116 HydrophobicContact CD1-CG 4.1Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.36Å; L112-L116 WeakPolarHBondContact O-CB 3.13Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.34Å; L112-M190 HydrophobicContact CD2-CB 4.03Å; L112-F191 HydrophobicContact CB-CE2 4.25Å; L112-F191 HydrophobicContact CB-CZ 4.17Å; L112-F191 HydrophobicContact CD1-CD1 4.02Å; L112-F191 HydrophobicContact CD1-CD2 4.21Å; L112-F191 HydrophobicContact CD1-CE1 4.15Å; L112-F191 HydrophobicContact CD1-CE2 4.33Å; L112-F191 HydrophobicContact CD1-CG 4.05Å; L112-F191 HydrophobicContact CD1-CZ 4.29Å; L112-E194 HydrophobicContact CD2-CG 4.29Å
113	A	98.7	Very high	98.3	Very high	67 Å²	67	40.3 Å²	40.3	55%	0.554	24%	0.241	S	C	*	.	H	α-helix	trans	-70.7	-45.9	-177.6	0	0	0	0	0	111	D111 H115 L116 S117	D111-A113 PolarHBondContact O-N 2.7Å; D111-A113 PolarHBondContact OD1-N 3.27Å; A113-H115 VanDerWaalsContact C-N 3.32Å; A113-L116 PolarHBondContact O-N 3.18Å; A113-S117 WeakPolarHBondContact O-CB 3.42Å; A113-S117 PolarHBondContact O-N 2.89Å; A113-S117 PolarHBondContact O-OG 3.43Å
114	S	98.6	Very high	98.3	Very high	49 Å²	49	41 Å²	41	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-42.2	172.3	177.7	0	0	0	0	111.4	N91 D111 S117 L118	N91-S114 PolarHBondContact ND2-OG 3.03Å; D111-S114 PolarHBondContact OD1-N 3.39Å; D111-S114 WeakPolarHBondContact OD2-CB 3.41Å; S114-S117 PolarHBondContact O-N 3.15Å; S114-L118 PolarHBondContact O-N 3.08Å; S114-L118 VanDerWaalsContact O-N 3.1Å
115	H	98.8	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-56.5	174.2	175	93	0	0	0	112.1	N91 Y92 D111 L112 A113 S117 L118 V119 W139 F191 T195	N91-H115 HydrophobicContact CB-CB 4.21Å; N91-H115 PolarHBondContact N-ND1 3.03Å; N91-H115 PolarHBondContact O-ND1 3.18Å; N91-H115 VanDerWaalsContact O-ND1 3.09Å; Y92-H115 PolarHBondContact N-ND1 3.06Å; D111-H115 VanDerWaalsContact O-CB 3.24Å; D111-H115 WeakPolarHBondContact O-CB 3.26Å; D111-H115 PolarHBondContact O-N 3.3Å; L112-H115 WeakPolarHBondContact O-CB 3.46Å; L112-H115 PolarHBondContact O-N 3Å; A113-H115 VanDerWaalsContact C-N 3.32Å; H115-S117 VanDerWaalsContact C-N 3.35Å; H115-S117 PolarHBondContact O-N 2.63Å; H115-L118 PolarHBondContact O-N 3.16Å; H115-V119 WeakPolarHBondContact O-CG2 3.22Å; H115-V119 PolarHBondContact O-N 3.11Å; H115-W139 AromaticContact CE1-CH2 3.37Å; H115-W139 WeakPolarHBondContact CE1-CH2 3.35Å; H115-W139 AromaticContact CE1-CZ2 3.56Å; H115-W139 AromaticContact NE2-CH2 3.54Å; H115-F191 HydrophobicContact CB-CE1 3.84Å; H115-F191 AromaticContact CG-CE1 3.75Å; H115-F191 AromaticContact ND1-CE1 3.85Å; H115-T195 PolarHBondContact NE2-OG1 3.33Å
116	L	98.8	Very high	98.1	Very high	38 Å²	38	48.6 Å²	48.6	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-36.9	-175.9	-68	171.6	0	0	0	112.3	L112 A113 L118 V119 E120 E194 L198	L112-L116 HydrophobicContact CD1-CD1 4.08Å; L112-L116 HydrophobicContact CD1-CG 4.1Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.36Å; L112-L116 WeakPolarHBondContact O-CB 3.13Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.34Å; A113-L116 PolarHBondContact O-N 3.18Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 3.36Å; L116-V119 WeakPolarHBondContact O-CB 3.31Å; L116-V119 PolarHBondContact O-N 3.11Å; L116-E120 PolarHBondContact O-N 2.96Å; L116-E194 HydrophobicContact CD1-CB 3.92Å; L116-E194 HydrophobicContact CD2-CB 4Å; L116-L198 HydrophobicContact CB-CD2 4.09Å; L116-L198 HydrophobicContact CD2-CB 4.4Å; L116-L198 HydrophobicContact CD2-CD2 3.89Å; L116-L198 VanDerWaalsContact O-CD2 3.32Å; L116-L198 WeakPolarHBondContact O-CD2 3.41Å
117	S	98.7	Very high	98	Very high	75 Å²	75	48.7 Å²	48.7	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-43.4	175.2	-59	0	0	0	0	111.3	A113 S114 H115 E120 V121	A113-S117 WeakPolarHBondContact O-CB 3.42Å; A113-S117 PolarHBondContact O-N 2.89Å; A113-S117 PolarHBondContact O-OG 3.43Å; S114-S117 PolarHBondContact O-N 3.15Å; H115-S117 VanDerWaalsContact C-N 3.35Å; H115-S117 PolarHBondContact O-N 2.63Å; S117-E120 PolarHBondContact O-N 3.21Å; S117-V121 PolarHBondContact O-N 3.41Å
118	L	98.8	Very high	97.9	Very high	57 Å²	57	56.9 Å²	56.9	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-68.9	-37.4	176.4	-179.2	59.5	0	0	0	112.4	N91 S114 H115 L116 E120 V121 Q122	N91-L118 VanDerWaalsContact OD1-CD2 3.24Å; N91-L118 WeakPolarHBondContact OD1-CD2 3.29Å; S114-L118 PolarHBondContact O-N 3.08Å; S114-L118 VanDerWaalsContact O-N 3.1Å; H115-L118 PolarHBondContact O-N 3.16Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 3.36Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-E120 PolarHBondContact O-N 3Å; L118-V121 PolarHBondContact O-N 3.29Å; L118-Q122 HydrophobicContact CD1-CG 4.07Å; L118-Q122 HydrophobicContact CG-CG 4.32Å; L118-Q122 WeakPolarHBondContact O-CB 3.31Å; L118-Q122 VanDerWaalsContact O-CG 3.29Å; L118-Q122 WeakPolarHBondContact O-CG 3.46Å; L118-Q122 PolarHBondContact O-N 2.97Å
119	V	98.7	Very high	97.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56.2	-48	173.6	170.1	0	0	0	0	110.6	L89 H115 L116 V121 Q122 L123 T195 L198 V199	L89-V119 HydrophobicContact CD1-CB 4.4Å; L89-V119 HydrophobicContact CD1-CG1 3.88Å; L89-V119 HydrophobicContact CD1-CG2 4.2Å; L89-V119 HydrophobicContact CG-CG1 4.35Å; L89-V119 HydrophobicContact CG-CG2 4.02Å; H115-V119 WeakPolarHBondContact O-CG2 3.22Å; H115-V119 PolarHBondContact O-N 3.11Å; L116-V119 WeakPolarHBondContact O-CB 3.31Å; L116-V119 PolarHBondContact O-N 3.11Å; V119-V121 PolarHBondContact O-N 3.4Å; V119-Q122 PolarHBondContact O-N 3.32Å; V119-L123 HydrophobicContact CG1-CD1 4.01Å; V119-L123 HydrophobicContact CG1-CG 4.29Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.33Å; V119-T195 HydrophobicContact CG2-CG2 4.38Å; V119-L198 HydrophobicContact CB-CD2 3.8Å; V119-L198 HydrophobicContact CG1-CD2 3.6Å; V119-L198 HydrophobicContact CG1-CG 4.18Å; V119-V199 HydrophobicContact CG1-CG1 4.11Å
120	E	98	Very high	97.5	Very high	64 Å²	64	59.3 Å²	59.3	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-59.5	-48.5	-178.4	-175.8	157.6	-152.3	0	0	112.1	L116 S117 L118 Q122 L123 D124 L198 R202	L116-E120 PolarHBondContact O-N 2.96Å; S117-E120 PolarHBondContact O-N 3.21Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-E120 PolarHBondContact O-N 3Å; E120-Q122 PolarHBondContact O-N 2.91Å; E120-L123 PolarHBondContact O-N 3.41Å; E120-D124 PolarHBondContact O-N 3.16Å; E120-D124 VanDerWaalsContact O-N 3.15Å; E120-L198 HydrophobicContact CB-CD2 4.42Å; E120-R202 WeakPolarHBondContact OE1-CD 3.48Å; E120-R202 IonicContact OE1-CZ 3.13Å; E120-R202 IonicContact OE1-NE 2.75Å; E120-R202 PolarHBondContact OE1-NE 2.9Å; E120-R202 IonicContact OE1-NH1 2.62Å; E120-R202 PolarHBondContact OE1-NH1 3.25Å; E120-R202 IonicContact OE1-NH2 3.15Å
121	V	98.1	Very high	97.3	Very high	87 Å²	87	58.8 Å²	58.8	53%	0.527	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-45.4	176.7	175.1	0	0	0	0	111.4	S117 L118 V119 L123 D124 V125	S117-V121 PolarHBondContact O-N 3.41Å; L118-V121 PolarHBondContact O-N 3.29Å; V119-V121 PolarHBondContact O-N 3.4Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 2.74Å; V121-D124 PolarHBondContact O-N 2.6Å; V121-V125 WeakPolarHBondContact O-CG2 3.22Å; V121-V125 PolarHBondContact O-N 3.38Å; V121-V125 VanDerWaalsContact O-N 3.11Å
122	Q	97.8	Very high	97.1	Very high	41 Å²	41	57.5 Å²	57.5	19%	0.192	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-38.5	-179.7	-75	172.3	-22.3	0	0	112.3	R88 L118 V119 E120 V125 L126	R88-Q122 PolarHBondContact O-OE1 3.32Å; L118-Q122 HydrophobicContact CD1-CG 4.07Å; L118-Q122 HydrophobicContact CG-CG 4.32Å; L118-Q122 WeakPolarHBondContact O-CB 3.31Å; L118-Q122 VanDerWaalsContact O-CG 3.29Å; L118-Q122 WeakPolarHBondContact O-CG 3.46Å; L118-Q122 PolarHBondContact O-N 2.97Å; V119-Q122 PolarHBondContact O-N 3.32Å; E120-Q122 PolarHBondContact O-N 2.91Å; Q122-V125 PolarHBondContact O-N 3.34Å; Q122-L126 HydrophobicContact CB-CD1 4.44Å; Q122-L126 VanDerWaalsContact O-CB 3.26Å; Q122-L126 WeakPolarHBondContact O-CB 3.13Å; Q122-L126 WeakPolarHBondContact O-CD1 3.17Å; Q122-L126 WeakPolarHBondContact O-CG 3.41Å; Q122-L126 PolarHBondContact O-N 2.99Å
123	L	97.4	Very high	96.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-41.3	175.7	-68.9	174.6	0	0	0	111.9	F84 L89 V119 E120 V121 V125 L126 L127 V199 R202 R203 W208	F84-L123 HydrophobicContact CZ-CD2 4.27Å; L89-L123 HydrophobicContact CD1-CD2 4.48Å; V119-L123 HydrophobicContact CG1-CD1 4.01Å; V119-L123 HydrophobicContact CG1-CG 4.29Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.33Å; E120-L123 PolarHBondContact O-N 3.41Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 2.74Å; L123-V125 VanDerWaalsContact C-N 3.32Å; L123-V125 PolarHBondContact O-N 3.4Å; L123-L126 PolarHBondContact O-N 2.89Å; L123-L127 HydrophobicContact CD2-CD1 3.98Å; L123-L127 PolarHBondContact O-N 3.33Å; L123-L127 VanDerWaalsContact O-O 3.09Å; L123-V199 HydrophobicContact CD1-CB 4.23Å; L123-V199 HydrophobicContact CD1-CG1 3.92Å; L123-V199 HydrophobicContact CD2-CG1 4.21Å; L123-R202 HydrophobicContact CD1-CB 3.87Å; L123-R202 HydrophobicContact CD1-CG 4.14Å; L123-R203 VanDerWaalsContact C-NH2 3.25Å; L123-R203 PolarHBondContact O-NH2 3.09Å; L123-W208 HydrophobicContact CD2-CH2 3.9Å; L123-W208 HydrophobicContact CD2-CZ2 4.38Å
124	D	96.1	Very high	96.9	Very high	79 Å²	79	52.4 Å²	52.4	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-33.9	179.9	-71.7	-12.9	0	0	0	112.8	E120 V121 R202 R203	E120-D124 PolarHBondContact O-N 3.16Å; E120-D124 VanDerWaalsContact O-N 3.15Å; V121-D124 PolarHBondContact O-N 2.6Å; D124-R202 IonicContact OD1-CZ 2.97Å; D124-R202 IonicContact OD1-NE 2.86Å; D124-R202 IonicContact OD1-NH2 3.51Å; D124-R202 PolarHBondContact OD1-NH2 2.93Å; D124-R202 IonicContact OD2-CZ 2.63Å; D124-R202 IonicContact OD2-NH2 2.84Å; D124-R202 PolarHBondContact OD2-NH2 3.49Å; D124-R203 VanDerWaalsContact CA-NH2 3.29Å; D124-R203 IonicContact OD1-CZ 2.86Å; D124-R203 IonicContact OD1-NH1 3.48Å; D124-R203 PolarHBondContact OD1-NH1 3.47Å; D124-R203 IonicContact OD1-NH2 2.68Å; D124-R203 PolarHBondContact OD1-NH2 3.17Å
125	V	95.9	Very high	96.8	Very high	117 Å²	117	50.1 Å²	50.1	71%	0.709	29%	0.291	S	S	*	.	H	α-helix	trans	-74.9	-41.2	174.5	174.2	0	0	0	0	112.1	V121 Q122 L123	V121-V125 WeakPolarHBondContact O-CG2 3.22Å; V121-V125 PolarHBondContact O-N 3.38Å; V121-V125 VanDerWaalsContact O-N 3.11Å; Q122-V125 PolarHBondContact O-N 3.34Å; L123-V125 VanDerWaalsContact C-N 3.32Å; L123-V125 PolarHBondContact O-N 3.4Å
126	L	95.4	Very high	96.8	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-92.3	-31.8	-167.1	-65.3	170.3	0	0	0	113.8	Q79 F84 Q122 L123	Q79-L126 PolarHBondContact NE2-O 3.44Å; F84-L126 HydrophobicContact CE1-CD1 3.7Å; F84-L126 HydrophobicContact CZ-CD1 4.46Å; Q122-L126 HydrophobicContact CB-CD1 4.44Å; Q122-L126 VanDerWaalsContact O-CB 3.26Å; Q122-L126 WeakPolarHBondContact O-CB 3.13Å; Q122-L126 WeakPolarHBondContact O-CD1 3.17Å; Q122-L126 WeakPolarHBondContact O-CG 3.41Å; Q122-L126 PolarHBondContact O-N 2.99Å; L123-L126 PolarHBondContact O-N 2.89Å
127	L	96.6	Very high	96.8	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	28%	0.282	C	S	.	.	S	Bend	trans	-127.9	134.6	-168.6	-59.2	-179.3	0	0	0	111.8	T82 F84 L123 F131 R203 W208	T82-L127 HydrophobicContact CG2-CD1 4.11Å; T82-L127 HydrophobicContact CG2-CD2 4.04Å; F84-L127 HydrophobicContact CZ-CD1 4.25Å; L123-L127 HydrophobicContact CD2-CD1 3.98Å; L123-L127 PolarHBondContact O-N 3.33Å; L123-L127 VanDerWaalsContact O-O 3.09Å; L127-F131 HydrophobicContact CB-CB 4.34Å; L127-F131 HydrophobicContact CB-CG 4.47Å; L127-F131 HydrophobicContact CD1-CD1 4.22Å; L127-F131 HydrophobicContact CD1-CD2 4.42Å; L127-F131 HydrophobicContact CD1-CE1 4.35Å; L127-F131 HydrophobicContact CD1-CG 4.24Å; L127-F131 HydrophobicContact CD1-CZ 4.5Å; L127-F131 HydrophobicContact CD2-CD2 3.83Å; L127-F131 HydrophobicContact CD2-CE2 3.87Å; L127-F131 HydrophobicContact CD2-CG 4.41Å; L127-F131 HydrophobicContact CD2-CZ 4.49Å; L127-R203 HydrophobicContact CB-CG 4.47Å; L127-R203 HydrophobicContact CD1-CG 4.45Å; L127-R203 PolarHBondContact O-NE 3.23Å; L127-R203 VanDerWaalsContact O-NE 3.11Å; L127-R203 PolarHBondContact O-NH2 3.28Å; L127-W208 HydrophobicContact CD1-CH2 3.56Å; L127-W208 HydrophobicContact CD1-CZ2 3.81Å
128	R	96.3	Very high	96.8	Very high	174 Å²	174	45.2 Å²	45.2	66%	0.657	26%	0.259	S	S	*	.			trans	-65.2	150.2	174.4	-64.3	179.2	-178.4	-165.3	-1.1	110.2	G130 F131 R203	R128-G130 PolarHBondContact O-N 3.04Å; R128-F131 VanDerWaalsContact O-CB 3.3Å; R128-F131 WeakPolarHBondContact O-CB 3.46Å; R128-F131 PolarHBondContact O-N 3.22Å; R128-R203 WeakPolarHBondContact O-CD 3.48Å; R128-R203 PolarHBondContact O-NE 2.92Å; R128-R203 VanDerWaalsContact O-NE 3.11Å
129	P	94.8	Very high	96.8	Very high	104 Å²	104	42.9 Å²	42.9	68%	0.675	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-40.3	177.3	-29.4	35.9	0	0	0	113.8	F131	P129-F131 PolarHBondContact O-N 2.93Å
130	G	93.6	Very high	96.7	Very high	68 Å²	68	47.8 Å²	47.8	70%	0.701	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	26.4	176.1	0	0	0	0	0	115.3	R128 S132	R128-G130 PolarHBondContact O-N 3.04Å; G130-S132 PolarHBondContact O-N 3.27Å
131	F	95.4	Very high	96.7	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	27%	0.265	C	S	.	.			trans	-58	123.9	177.2	174.3	-101.5	0	0	0	110.8	Q79 T82 L127 R128 P129 G133 R203 G205 G206 W208	Q79-F131 WeakPolarHBondContact O-CD2 3.37Å; Q79-F131 VanDerWaalsContact O-CE2 3.28Å; Q79-F131 WeakPolarHBondContact O-CE2 3.37Å; T82-F131 HydrophobicContact CG2-CZ 4.2Å; L127-F131 HydrophobicContact CB-CB 4.34Å; L127-F131 HydrophobicContact CB-CG 4.47Å; L127-F131 HydrophobicContact CD1-CD1 4.22Å; L127-F131 HydrophobicContact CD1-CD2 4.42Å; L127-F131 HydrophobicContact CD1-CE1 4.35Å; L127-F131 HydrophobicContact CD1-CG 4.24Å; L127-F131 HydrophobicContact CD1-CZ 4.5Å; L127-F131 HydrophobicContact CD2-CD2 3.83Å; L127-F131 HydrophobicContact CD2-CE2 3.87Å; L127-F131 HydrophobicContact CD2-CG 4.41Å; L127-F131 HydrophobicContact CD2-CZ 4.49Å; R128-F131 VanDerWaalsContact O-CB 3.3Å; R128-F131 WeakPolarHBondContact O-CB 3.46Å; R128-F131 PolarHBondContact O-N 3.22Å; P129-F131 PolarHBondContact O-N 2.93Å; F131-G133 VanDerWaalsContact CE1-O 3.24Å; F131-G133 WeakPolarHBondContact CE1-O 3.49Å; F131-G133 WeakPolarHBondContact CZ-O 3.23Å; F131-R203 HydrophobicContact CB-CB 4.29Å; F131-R203 HydrophobicContact CB-CG 4.34Å; F131-R203 HydrophobicContact CD1-CB 4.21Å; F131-G205 CarbonylContact O-C 3.18Å; F131-G205 VanDerWaalsContact O-C 3.24Å; F131-G205 WeakPolarHBondContact O-CA 3.4Å; F131-G206 PolarHBondContact O-N 3.27Å; F131-G206 VanDerWaalsContact O-N 3.13Å; F131-W208 AromaticContact CD1-CZ2 3.99Å; F131-W208 HydrophobicContact CD1-CZ2 3.99Å; F131-W208 HydrophobicContact CE1-CH2 4.4Å; F131-W208 AromaticContact CE1-CZ2 3.88Å; F131-W208 HydrophobicContact CE1-CZ2 3.88Å
132	S	93.8	Very high	96.7	Very high	72 Å²	72	42.9 Å²	42.9	50%	0.503	24%	0.241	S	C	.	.			trans	-128.4	22.1	176.8	57.2	0	0	0	0	112.9	G130 G205 F207	G130-S132 PolarHBondContact O-N 3.27Å; S132-G205 VanDerWaalsContact CA-O 3.27Å; S132-G205 WeakPolarHBondContact CA-O 3.44Å; S132-F207 WeakPolarHBondContact O-CE2 3.37Å
133	G	95.1	Very high	96.7	Very high	2 Å²	2	42 Å²	42	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-87.6	-178.5	177.7	0	0	0	0	0	113.3	Q79 N80 F131 G135 F207	Q79-G133 WeakPolarHBondContact O-CA 3.33Å; N80-G133 WeakPolarHBondContact O-CA 3.31Å; F131-G133 VanDerWaalsContact CE1-O 3.24Å; F131-G133 WeakPolarHBondContact CE1-O 3.49Å; F131-G133 WeakPolarHBondContact CZ-O 3.23Å; G133-G135 PolarHBondContact O-N 2.84Å; G133-F207 PolarHBondContact O-N 3.43Å
134	V	97.4	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.7	171.8	174	0	0	0	0	109.5	L37 V45 N80 M81 T82 V136 Y254 L300 V335	L37-V134 HydrophobicContact CD1-CG2 3.87Å; L37-V134 HydrophobicContact CD2-CG2 3.79Å; V45-V134 HydrophobicContact CG1-CG2 4.37Å; V45-V134 HydrophobicContact CG2-CG2 4.07Å; N80-V134 PolarHBondContact O-N 2.97Å; M81-V134 CarbonylContact C-O 3.36Å; M81-V134 WeakPolarHBondContact CA-O 3.24Å; M81-V134 HydrophobicContact CE-CG1 3.98Å; M81-V134 HydrophobicContact SD-CB 3.46Å; M81-V134 WeakPolarHBondContact SD-CB 3.31Å; M81-V134 HydrophobicContact SD-CG1 3.26Å; M81-V134 WeakPolarHBondContact SD-CG1 3.41Å; T82-V134 PolarHBondContact N-O 3.3Å; V134-V136 HydrophobicContact CG1-CG2 3.68Å; V134-Y254 HydrophobicContact CG1-CE1 3.65Å; V134-L300 HydrophobicContact CG2-CD2 4.12Å; V134-V335 HydrophobicContact CG1-CG2 4.14Å
135	G	97.8	Very high	96.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.2	179.6	0	0	0	0	0	111.2	G133 F207 W208 G209	G133-G135 PolarHBondContact O-N 2.84Å; G135-F207 CarbonylContact C-O 3.54Å; G135-F207 WeakPolarHBondContact CA-O 3.41Å; G135-F207 PolarHBondContact N-O 2.62Å; G135-W208 WeakPolarHBondContact O-CA 3.22Å; G135-G209 PolarHBondContact O-N 3.41Å
136	V	98.7	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.5	-171.5	179.1	0	0	0	0	110.3	M81 T82 I83 F84 V134 Y254 Y302	M81-V136 HydrophobicContact CE-CB 4.26Å; M81-V136 HydrophobicContact CE-CG2 3.88Å; T82-V136 PolarHBondContact O-N 2.98Å; I83-V136 CarbonylContact C-O 3.5Å; I83-V136 VanDerWaalsContact CA-O 3.31Å; I83-V136 WeakPolarHBondContact CA-O 3.27Å; I83-V136 HydrophobicContact CB-CB 4.35Å; I83-V136 HydrophobicContact CD1-CG1 4.35Å; I83-V136 HydrophobicContact CG1-CB 4.11Å; I83-V136 HydrophobicContact CG1-CG1 4.1Å; F84-V136 PolarHBondContact N-O 2.97Å; V134-V136 HydrophobicContact CG1-CG2 3.68Å; V136-Y254 HydrophobicContact CG2-CD1 3.91Å; V136-Y254 HydrophobicContact CG2-CD2 3.99Å; V136-Y254 HydrophobicContact CG2-CE1 3.75Å; V136-Y254 HydrophobicContact CG2-CE2 3.82Å; V136-Y254 HydrophobicContact CG2-CG 4.04Å; V136-Y302 HydrophobicContact CB-CE2 4.46Å; V136-Y302 HydrophobicContact CG1-CE2 3.99Å; V136-Y302 HydrophobicContact CG2-CE2 3.86Å; V136-Y302 WeakPolarHBondContact CG2-OH 3.42Å
137	I	98.8	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.7	171.7	-50.1	175.7	0	0	0	107.7	L89 W139 T195 L196 V199 G209 F210 Y211	L89-I137 HydrophobicContact CD2-CD1 3.78Å; L89-I137 HydrophobicContact CD2-CG1 3.72Å; L89-I137 HydrophobicContact CD2-CG2 4.11Å; I137-W139 HydrophobicContact CG2-CD2 3.8Å; I137-W139 HydrophobicContact CG2-CE3 4.49Å; I137-W139 HydrophobicContact CG2-CG 3.86Å; I137-W139 HydrophobicContact CG2-CZ2 4.2Å; I137-T195 HydrophobicContact CD1-CG2 3.92Å; I137-L196 HydrophobicContact CD1-CD2 4.12Å; I137-V199 HydrophobicContact CD1-CG2 4.48Å; I137-G209 PolarHBondContact N-O 2.79Å; I137-F210 HydrophobicContact CB-CD1 3.71Å; I137-F210 HydrophobicContact CB-CE1 3.69Å; I137-F210 HydrophobicContact CB-CG 4.35Å; I137-F210 HydrophobicContact CB-CZ 4.34Å; I137-F210 HydrophobicContact CD1-CE1 4.3Å; I137-F210 HydrophobicContact CD1-CE2 4.48Å; I137-F210 HydrophobicContact CD1-CZ 4.1Å; I137-F210 HydrophobicContact CG2-CD1 3.77Å; I137-F210 HydrophobicContact CG2-CE1 3.35Å; I137-F210 HydrophobicContact CG2-CZ 4.15Å; I137-F210 CarbonylContact O-C 3.45Å; I137-F210 VanDerWaalsContact O-CA 3.3Å; I137-F210 WeakPolarHBondContact O-CA 3.12Å; I137-Y211 PolarHBondContact O-N 2.82Å
138	D	98.6	Very high	96.9	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	77.6	-174.6	-168.4	11.8	0	0	0	110.5	I83 F84 Y85 R86 E140 Y211	I83-D138 HydrophobicContact CD1-CB 3.86Å; I83-D138 HydrophobicContact CG1-CB 3.87Å; F84-D138 PolarHBondContact O-N 2.79Å; Y85-D138 HydrophobicContact CD1-CB 3.95Å; Y85-D138 WeakPolarHBondContact CD1-OD2 3.34Å; Y85-D138 HydrophobicContact CE1-CB 4.43Å; Y85-D138 WeakPolarHBondContact CE1-OD2 3.36Å; R86-D138 PolarHBondContact N-O 2.88Å; D138-E140 VanDerWaalsContact OD1-CG 3.24Å; D138-E140 WeakPolarHBondContact OD1-CG 3.42Å; D138-Y211 WeakPolarHBondContact OD1-CD1 3.18Å
139	W	98.3	Very high	96.9	Very high	8 Å²	8	26.4 Å²	26.4	3%	0.03	16%	0.16	C	C	.	.			trans	-108.2	100	177.3	-70.9	-0.7	0	0	0	109.1	Y92 H115 I137 M192 T195 F210	Y92-W139 HydrophobicContact CD1-CD2 4.24Å; Y92-W139 HydrophobicContact CD1-CG 4.1Å; Y92-W139 AromaticContact CD2-CD2 3.27Å; Y92-W139 HydrophobicContact CD2-CD2 3.27Å; Y92-W139 AromaticContact CD2-CE2 3.59Å; Y92-W139 AromaticContact CD2-CE3 3.24Å; Y92-W139 HydrophobicContact CD2-CE3 3.24Å; Y92-W139 AromaticContact CD2-CG 3.91Å; Y92-W139 HydrophobicContact CD2-CG 3.91Å; Y92-W139 AromaticContact CD2-CH2 3.9Å; Y92-W139 HydrophobicContact CD2-CH2 3.9Å; Y92-W139 AromaticContact CD2-CZ2 3.91Å; Y92-W139 HydrophobicContact CD2-CZ2 3.91Å; Y92-W139 AromaticContact CD2-CZ3 3.57Å; Y92-W139 HydrophobicContact CD2-CZ3 3.57Å; Y92-W139 HydrophobicContact CE1-CB 4.1Å; Y92-W139 HydrophobicContact CE1-CD2 4.38Å; Y92-W139 AromaticContact CE1-CG 3.99Å; Y92-W139 HydrophobicContact CE1-CG 3.99Å; Y92-W139 HydrophobicContact CE2-CB 3.98Å; Y92-W139 AromaticContact CE2-CD2 3.43Å; Y92-W139 HydrophobicContact CE2-CD2 3.43Å; Y92-W139 VanDerWaalsContact CE2-CD2 3.43Å; Y92-W139 AromaticContact CE2-CE3 3.25Å; Y92-W139 HydrophobicContact CE2-CE3 3.25Å; Y92-W139 AromaticContact CE2-CG 3.77Å; Y92-W139 HydrophobicContact CE2-CG 3.77Å; Y92-W139 AromaticContact CE2-CZ3 3.95Å; Y92-W139 HydrophobicContact CE2-CZ3 3.95Å; Y92-W139 AromaticContact CG-CD2 3.71Å; Y92-W139 HydrophobicContact CG-CD2 3.71Å; Y92-W139 AromaticContact CG-CE2 3.66Å; Y92-W139 HydrophobicContact CG-CE3 4.15Å; Y92-W139 HydrophobicContact CG-CG 4.07Å; Y92-W139 HydrophobicContact CG-CZ2 4.09Å; Y92-W139 AromaticContact CG-NE1 3.89Å; Y92-W139 AromaticContact CZ-CG 3.85Å; H115-W139 AromaticContact CE1-CH2 3.37Å; H115-W139 WeakPolarHBondContact CE1-CH2 3.35Å; H115-W139 AromaticContact CE1-CZ2 3.56Å; H115-W139 AromaticContact NE2-CH2 3.54Å; I137-W139 HydrophobicContact CG2-CD2 3.8Å; I137-W139 HydrophobicContact CG2-CE3 4.49Å; I137-W139 HydrophobicContact CG2-CG 3.86Å; I137-W139 HydrophobicContact CG2-CZ2 4.2Å; W139-M192 HydrophobicContact CE3-CG 4.43Å; W139-M192 HydrophobicContact CZ3-CG 4.47Å; W139-T195 HydrophobicContact CH2-CG2 3.99Å; W139-T195 HydrophobicContact CZ2-CG2 4.41Å; W139-F210 HydrophobicContact CB-CD1 4.35Å; W139-F210 HydrophobicContact CB-CE1 4.2Å; W139-F210 AromaticContact CD2-CE1 3.85Å; W139-F210 HydrophobicContact CD2-CE1 3.85Å; W139-F210 AromaticContact CE3-CE1 3.53Å; W139-F210 HydrophobicContact CE3-CE1 3.53Å; W139-F210 AromaticContact CE3-CZ 4Å; W139-F210 HydrophobicContact CE3-CZ 4Å; W139-F210 HydrophobicContact CG-CE1 4.16Å; W139-F210 HydrophobicContact CZ3-CE1 4.11Å; W139-F210 HydrophobicContact CZ3-CZ 4.14Å
140	E	97.5	Very high	96.8	Very high	104 Å²	104	27.4 Å²	27.4	49%	0.486	15%	0.154	S	C	.	.			trans	-106.5	-2.2	-176.5	-58.7	-167.7	-101.3	0	0	112.9	D138 K153 Y211	D138-E140 VanDerWaalsContact OD1-CG 3.24Å; D138-E140 WeakPolarHBondContact OD1-CG 3.42Å; E140-K153 WeakPolarHBondContact O-CE 3.34Å; E140-K153 PolarHBondContact O-NZ 3.11Å; E140-Y211 HydrophobicContact CG-CD1 4.11Å; E140-Y211 HydrophobicContact CG-CE1 4.21Å; E140-Y211 WeakPolarHBondContact OE2-CE1 3.04Å
141	E	97.5	Very high	96.8	Very high	44 Å²	44	26.5 Å²	26.5	21%	0.206	14%	0.144	C	C	.	.	S	Bend	trans	-73.6	-41.6	-164.5	-60.1	-63.3	178.5	0	0	112.8	R86 Y92 Y94 K153 Y156	R86-E141 HydrophobicContact CB-CG 4.43Å; R86-E141 WeakPolarHBondContact CD-OE1 3.47Å; R86-E141 IonicContact CZ-OE1 3.68Å; R86-E141 IonicContact NE-OE1 3.75Å; R86-E141 IonicContact NH1-OE1 3.44Å; R86-E141 PolarHBondContact NH1-OE1 3.45Å; Y92-E141 HydrophobicContact CE1-CB 3.92Å; Y92-E141 HydrophobicContact CE1-CG 3.88Å; Y94-E141 HydrophobicContact CD2-CG 4.28Å; Y94-E141 HydrophobicContact CG-CG 4.16Å; E141-K153 WeakPolarHBondContact O-CD 3Å; E141-K153 PolarHBondContact O-NZ 2.92Å; E141-Y156 WeakPolarHBondContact CB-OH 3.23Å; E141-Y156 WeakPolarHBondContact O-CE2 3.28Å
142	W	98	Very high	96.6	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.011	18%	0.18	C	C	.	.	S	Bend	trans	-131.9	159.6	168.7	48	-99.3	0	0	0	110.9	Y92 P93 P107 N149 Y156 F184 A188 F191 M192	Y92-W142 AromaticContact CD2-CZ2 3.98Å; Y92-W142 HydrophobicContact CD2-CZ2 3.98Å; Y92-W142 HydrophobicContact CE2-CD2 4.3Å; Y92-W142 AromaticContact CE2-CE2 3.38Å; Y92-W142 AromaticContact CE2-CH2 3.92Å; Y92-W142 HydrophobicContact CE2-CH2 3.92Å; Y92-W142 AromaticContact CE2-CZ2 3.19Å; Y92-W142 HydrophobicContact CE2-CZ2 3.19Å; Y92-W142 AromaticContact CE2-NE1 3.52Å; Y92-W142 AromaticContact CZ-CE2 3.64Å; Y92-W142 AromaticContact CZ-CZ2 3.96Å; Y92-W142 AromaticContact CZ-NE1 3.43Å; Y92-W142 PolarHBondContact OH-N 3.29Å; Y92-W142 PolarHBondContact OH-NE1 3.4Å; P93-W142 HydrophobicContact CG-CZ2 4.25Å; P93-W142 PolarHBondContact O-NE1 3.01Å; P107-W142 HydrophobicContact CB-CH2 4.44Å; P107-W142 HydrophobicContact CB-CZ2 4.03Å; P107-W142 HydrophobicContact CG-CZ2 4.36Å; W142-N149 WeakPolarHBondContact CA-OD1 3.01Å; W142-Y156 HydrophobicContact CB-CD1 3.93Å; W142-Y156 HydrophobicContact CB-CD2 4.05Å; W142-Y156 HydrophobicContact CB-CE1 4.06Å; W142-Y156 HydrophobicContact CB-CE2 4.17Å; W142-Y156 HydrophobicContact CB-CG 3.96Å; W142-Y156 AromaticContact CD1-CD1 3.83Å; W142-Y156 AromaticContact CD1-CE1 3.41Å; W142-Y156 VanDerWaalsContact CD1-CE1 3.41Å; W142-Y156 AromaticContact CD1-CZ 3.93Å; W142-Y156 HydrophobicContact CG-CD1 4.19Å; W142-Y156 HydrophobicContact CG-CE1 4.11Å; W142-F184 HydrophobicContact CB-CZ 4.1Å; W142-F184 HydrophobicContact CE3-CZ 4.48Å; W142-F184 HydrophobicContact CG-CZ 4.43Å; W142-A188 HydrophobicContact CE3-CB 4.06Å; W142-A188 HydrophobicContact CH2-CB 4.02Å; W142-A188 HydrophobicContact CZ3-CB 3.54Å; W142-F191 HydrophobicContact CH2-CB 4.21Å; W142-M192 HydrophobicContact CH2-CG 3.98Å; W142-M192 HydrophobicContact CH2-SD 4.4Å; W142-M192 HydrophobicContact CZ3-CG 3.97Å; W142-M192 HydrophobicContact CZ3-SD 3.78Å
143	L	97.9	Very high	96.8	Very high	24 Å²	24	30.1 Å²	30.1	13%	0.126	17%	0.165	C	C	.	.			trans	-108.1	144	175.9	-64.3	175.9	0	0	0	109.8	L145 N148 N149 F184 F213	L143-L145 PolarHBondContact O-N 2.94Å; L143-L145 VanDerWaalsContact O-N 3.17Å; L143-N148 HydrophobicContact CB-CB 4.02Å; L143-N148 HydrophobicContact CD1-CB 3.6Å; L143-N148 HydrophobicContact CG-CB 4.48Å; L143-N149 PolarHBondContact N-OD1 3.22Å; L143-N149 PolarHBondContact O-ND2 3.3Å; L143-F184 WeakPolarHBondContact O-CE1 3.27Å; L143-F213 HydrophobicContact CD2-CE2 4.4Å; L143-F213 HydrophobicContact CD2-CZ 3.79Å
144	P	98.1	Very high	96.8	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	19%	0.191	C	C	.	.	S	Bend	trans	-68.3	-18.8	-171.9	24.7	-34.3	0	0	0	114.5	E185 A188 M192 F213 L243 W245	P144-E185 WeakPolarHBondContact O-CG 3.33Å; P144-A188 HydrophobicContact CB-CB 4.3Å; P144-M192 HydrophobicContact CB-SD 3.72Å; P144-M192 HydrophobicContact CG-CE 4.38Å; P144-M192 HydrophobicContact CG-SD 3.72Å; P144-F213 HydrophobicContact CG-CE1 4.16Å; P144-F213 HydrophobicContact CG-CZ 4.21Å; P144-L243 HydrophobicContact CB-CD2 4.17Å; P144-L243 HydrophobicContact CG-CD1 4.34Å; P144-L243 HydrophobicContact CG-CD2 3.75Å; P144-W245 HydrophobicContact CB-CH2 4Å; P144-W245 HydrophobicContact CB-CZ2 3.84Å; P144-W245 HydrophobicContact CG-CH2 4.46Å; P144-W245 HydrophobicContact CG-CZ2 4.37Å
145	L	98.2	Very high	96.9	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	21%	0.206	C	C	.	.	S	Bend	trans	-96.9	123.2	172	-58	-176.4	0	0	0	109.3	L143 E147 N148 N149 E185 K239 L243	L143-L145 PolarHBondContact O-N 2.94Å; L143-L145 VanDerWaalsContact O-N 3.17Å; L145-E147 HydrophobicContact CB-CG 4.33Å; L145-E147 PolarHBondContact O-N 3.09Å; L145-E147 VanDerWaalsContact O-N 3.16Å; L145-N148 PolarHBondContact O-N 3.39Å; L145-N149 PolarHBondContact O-ND2 3.38Å; L145-E185 WeakPolarHBondContact CA-OE1 3.02Å; L145-K239 HydrophobicContact CD1-CB 3.77Å; L145-K239 HydrophobicContact CD1-CG 4.21Å; L145-K239 WeakPolarHBondContact CD1-O 3.25Å; L145-L243 HydrophobicContact CD1-CD1 4.44Å; L145-L243 HydrophobicContact CD1-CD2 4.43Å; L145-L243 HydrophobicContact CD1-CG 4.22Å; L145-L243 HydrophobicContact CD2-CD2 3.78Å; L145-L243 HydrophobicContact CD2-CG 4.38Å; L145-L243 HydrophobicContact CG-CD2 3.91Å; L145-L243 HydrophobicContact CG-CG 4.23Å
146	W	98.2	Very high	96.9	Very high	13 Å²	13	39 Å²	39	5%	0.049	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-44.5	-52.4	-179.9	172.7	-98.7	0	0	0	111.3	N148 N149 R157 K161 A180 Q181 F184 E185	W146-N148 PolarHBondContact O-N 2.81Å; W146-N148 VanDerWaalsContact O-N 3.09Å; W146-N149 WeakPolarHBondContact O-CB 3.12Å; W146-N149 PolarHBondContact O-N 3.4Å; W146-N149 PolarHBondContact O-ND2 2.84Å; W146-R157 HydrophobicContact CD2-CG 3.88Å; W146-R157 HydrophobicContact CE3-CB 4.47Å; W146-R157 HydrophobicContact CE3-CG 3.93Å; W146-R157 VanDerWaalsContact CH2-CA 3.44Å; W146-R157 HydrophobicContact CH2-CB 3.45Å; W146-R157 VanDerWaalsContact CH2-CB 3.45Å; W146-R157 HydrophobicContact CH2-CG 3.78Å; W146-R157 WeakPolarHBondContact CH2-O 3.47Å; W146-R157 HydrophobicContact CZ2-CB 3.57Å; W146-R157 HydrophobicContact CZ2-CG 3.68Å; W146-R157 HydrophobicContact CZ3-CB 3.94Å; W146-R157 HydrophobicContact CZ3-CG 3.9Å; W146-R157 PolarHBondContact O-NE 2.81Å; W146-R157 PolarHBondContact O-NH2 3.44Å; W146-K161 HydrophobicContact CH2-CG 4.18Å; W146-A180 HydrophobicContact CH2-CB 4.17Å; W146-A180 HydrophobicContact CZ3-CB 4.43Å; W146-Q181 HydrophobicContact CB-CB 4.38Å; W146-Q181 HydrophobicContact CB-CG 3.71Å; W146-Q181 HydrophobicContact CD2-CB 3.85Å; W146-Q181 HydrophobicContact CD2-CG 4.16Å; W146-Q181 HydrophobicContact CE3-CB 4.17Å; W146-Q181 HydrophobicContact CG-CB 3.96Å; W146-Q181 HydrophobicContact CG-CG 3.73Å; W146-F184 HydrophobicContact CE3-CB 3.96Å; W146-F184 HydrophobicContact CE3-CD1 4.01Å; W146-F184 HydrophobicContact CE3-CG 4.01Å; W146-F184 HydrophobicContact CZ3-CB 4.14Å; W146-F184 HydrophobicContact CZ3-CG 4.37Å; W146-E185 HydrophobicContact CB-CG 3.93Å; W146-E185 WeakPolarHBondContact CB-OE1 3.49Å; W146-E185 PolarHBondContact N-OE1 2.78Å
147	E	95.8	Very high	96.9	Very high	77 Å²	77	41.7 Å²	41.7	36%	0.36	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.9	-16.1	-175.5	59.9	171.2	164.2	0	0	115.2	L145 R157 K239 R242	L145-E147 HydrophobicContact CB-CG 4.33Å; L145-E147 PolarHBondContact O-N 3.09Å; L145-E147 VanDerWaalsContact O-N 3.16Å; E147-R157 PolarHBondContact O-NH2 3.39Å; E147-K239 HydrophobicContact CG-CD 4.47Å; E147-K239 WeakPolarHBondContact OE1-CD 3.47Å; E147-K239 WeakPolarHBondContact OE1-CE 3.21Å; E147-K239 VanDerWaalsContact OE1-CG 3.28Å; E147-K239 WeakPolarHBondContact OE1-CG 3.46Å; E147-K239 IonicContact OE1-NZ 3.79Å; E147-K239 PolarHBondContact OE1-NZ 2.84Å; E147-K239 WeakPolarHBondContact OE2-CE 3.43Å; E147-K239 IonicContact OE2-NZ 2.81Å; E147-K239 PolarHBondContact OE2-NZ 2.88Å; E147-R242 IonicContact OE1-NH1 3.32Å; E147-R242 PolarHBondContact OE1-NH1 2.75Å
148	N	94.9	Very high	96.9	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.07	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-90.2	-11.1	176.8	-64.5	-21.9	0	0	0	113.1	L143 L145 W146 F150 K239	L143-N148 HydrophobicContact CB-CB 4.02Å; L143-N148 HydrophobicContact CD1-CB 3.6Å; L143-N148 HydrophobicContact CG-CB 4.48Å; L145-N148 PolarHBondContact O-N 3.39Å; W146-N148 PolarHBondContact O-N 2.81Å; W146-N148 VanDerWaalsContact O-N 3.09Å; N148-F150 VanDerWaalsContact C-N 3.33Å; N148-F150 WeakPolarHBondContact O-CD1 3.45Å; N148-F150 WeakPolarHBondContact O-CE1 2.98Å; N148-F150 PolarHBondContact O-N 2.82Å; N148-K239 WeakPolarHBondContact OD1-CD 3.43Å; N148-K239 PolarHBondContact OD1-NZ 3.49Å; N148-K239 VanDerWaalsContact OD1-NZ 3.14Å
149	N	96.8	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.			trans	-78.8	72.7	175.5	-66.5	-68.7	0	0	0	112.8	W142 L143 L145 W146 K153 R157 F184	W142-N149 WeakPolarHBondContact CA-OD1 3.01Å; L143-N149 PolarHBondContact N-OD1 3.22Å; L143-N149 PolarHBondContact O-ND2 3.3Å; L145-N149 PolarHBondContact O-ND2 3.38Å; W146-N149 WeakPolarHBondContact O-CB 3.12Å; W146-N149 PolarHBondContact O-N 3.4Å; W146-N149 PolarHBondContact O-ND2 2.84Å; N149-K153 HydrophobicContact CB-CB 3.88Å; N149-R157 HydrophobicContact CB-CG 4.29Å; N149-R157 PolarHBondContact O-NE 3.48Å; N149-R157 VanDerWaalsContact O-NE 3.13Å; N149-R157 PolarHBondContact O-NH2 2.96Å; N149-R157 VanDerWaalsContact O-NH2 3.14Å; N149-F184 WeakPolarHBondContact ND2-CE1 3.24Å
150	F	92.3	Very high	96.9	Very high	125 Å²	125	46.5 Å²	46.5	55%	0.548	24%	0.235	S	C	.	.			trans	-104.8	171.9	176.4	62.9	-94.6	0	0	0	112.8	N148 S152 K153 Y217	N148-F150 VanDerWaalsContact C-N 3.33Å; N148-F150 WeakPolarHBondContact O-CD1 3.45Å; N148-F150 WeakPolarHBondContact O-CE1 2.98Å; N148-F150 PolarHBondContact O-N 2.82Å; F150-S152 PolarHBondContact O-N 3.45Å; F150-K153 WeakPolarHBondContact O-CB 3.21Å; F150-K153 PolarHBondContact O-N 3.01Å; F150-Y217 HydrophobicContact CE1-CE1 4.47Å
151	G	93.2	Very high	96.9	Very high	49 Å²	49	44.3 Å²	44.3	51%	0.505	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	65.5	-132.8	-178.9	0	0	0	0	0	110.9	K153 M154	G151-K153 PolarHBondContact O-N 3.23Å; G151-K153 VanDerWaalsContact O-N 3.11Å; G151-M154 WeakPolarHBondContact O-CB 3.24Å; G151-M154 WeakPolarHBondContact O-CG 3.46Å; G151-M154 PolarHBondContact O-N 3.34Å
152	S	92.7	Very high	97	Very high	110 Å²	110	45.6 Å²	45.6	77%	0.769	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-59.5	-21.9	176	55.6	0	0	0	0	113.4	F150 M154	F150-S152 PolarHBondContact O-N 3.45Å; S152-M154 PolarHBondContact O-N 2.92Å
153	K	96.3	Very high	97	Very high	42 Å²	42	46.4 Å²	46.4	18%	0.183	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-78	-5.4	178	-54	-169.7	-178.5	-47.5	0	113.9	E140 E141 N149 F150 G151 E155 Y156	E140-K153 WeakPolarHBondContact O-CE 3.34Å; E140-K153 PolarHBondContact O-NZ 3.11Å; E141-K153 WeakPolarHBondContact O-CD 3Å; E141-K153 PolarHBondContact O-NZ 2.92Å; N149-K153 HydrophobicContact CB-CB 3.88Å; F150-K153 WeakPolarHBondContact O-CB 3.21Å; F150-K153 PolarHBondContact O-N 3.01Å; G151-K153 PolarHBondContact O-N 3.23Å; G151-K153 VanDerWaalsContact O-N 3.11Å; K153-E155 PolarHBondContact O-N 2.88Å; K153-Y156 HydrophobicContact CB-CD2 4.18Å; K153-Y156 WeakPolarHBondContact O-CD2 3.49Å; K153-Y156 PolarHBondContact O-N 2.87Å
154	M	97	Very high	97	Very high	113 Å²	113	45.3 Å²	45.3	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-60.9	-22.4	173.1	-76.9	180	27.1	0	0	112.5	G151 S152 Y156 R157 R158	G151-M154 WeakPolarHBondContact O-CB 3.24Å; G151-M154 WeakPolarHBondContact O-CG 3.46Å; G151-M154 PolarHBondContact O-N 3.34Å; S152-M154 PolarHBondContact O-N 2.92Å; M154-Y156 VanDerWaalsContact C-N 3.29Å; M154-Y156 PolarHBondContact O-N 2.81Å; M154-R157 WeakPolarHBondContact O-CB 3.35Å; M154-R157 PolarHBondContact O-N 2.95Å; M154-R158 PolarHBondContact O-N 3.24Å
155	E	97.6	Very high	97	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-38.2	178.1	-170.4	61.7	-170.1	0	0	112.6	I95 K153 R157 R158 L159	I95-E155 HydrophobicContact CD1-CB 3.98Å; I95-E155 HydrophobicContact CD1-CG 3.51Å; K153-E155 PolarHBondContact O-N 2.88Å; E155-R157 VanDerWaalsContact C-N 3.26Å; E155-R157 PolarHBondContact O-N 2.89Å; E155-R158 WeakPolarHBondContact O-CA 3.36Å; E155-R158 WeakPolarHBondContact O-CB 3.47Å; E155-R158 PolarHBondContact O-N 3.1Å; E155-R158 IonicContact OE1-CZ 3.43Å; E155-R158 IonicContact OE1-NE 3.3Å; E155-R158 PolarHBondContact OE1-NE 3.15Å; E155-R158 IonicContact OE1-NH2 2.79Å; E155-R158 PolarHBondContact OE1-NH2 3.01Å; E155-R158 WeakPolarHBondContact OE2-CD 3.39Å; E155-R158 IonicContact OE2-NE 2.79Å; E155-R158 PolarHBondContact OE2-NE 2.04Å; E155-L159 HydrophobicContact CG-CD1 4.46Å; E155-L159 PolarHBondContact O-N 3.32Å
156	Y	98.6	Very high	96.9	Very high	8 Å²	8	55.3 Å²	55.3	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-38.7	173.5	-64.9	-83.7	0	0	0	112.1	I95 G105 I106 E141 W142 K153 M154 S160	I95-Y156 HydrophobicContact CB-CE1 4.43Å; I95-Y156 HydrophobicContact CD1-CD1 4.03Å; I95-Y156 HydrophobicContact CD1-CD2 4.37Å; I95-Y156 HydrophobicContact CD1-CE1 3.79Å; I95-Y156 HydrophobicContact CD1-CE2 4.16Å; I95-Y156 HydrophobicContact CD1-CG 4.29Å; I95-Y156 HydrophobicContact CG1-CD1 4.38Å; I95-Y156 HydrophobicContact CG1-CE1 3.71Å; I95-Y156 PolarHBondContact N-OH 3.3Å; G105-Y156 VanDerWaalsContact O-CE1 3.29Å; G105-Y156 WeakPolarHBondContact O-CE1 3.33Å; I106-Y156 HydrophobicContact CG2-CD1 4.03Å; E141-Y156 WeakPolarHBondContact CB-OH 3.23Å; E141-Y156 WeakPolarHBondContact O-CE2 3.28Å; W142-Y156 HydrophobicContact CB-CD1 3.93Å; W142-Y156 HydrophobicContact CB-CD2 4.05Å; W142-Y156 HydrophobicContact CB-CE1 4.06Å; W142-Y156 HydrophobicContact CB-CE2 4.17Å; W142-Y156 HydrophobicContact CB-CG 3.96Å; W142-Y156 AromaticContact CD1-CD1 3.83Å; W142-Y156 AromaticContact CD1-CE1 3.41Å; W142-Y156 VanDerWaalsContact CD1-CE1 3.41Å; W142-Y156 AromaticContact CD1-CZ 3.93Å; W142-Y156 HydrophobicContact CG-CD1 4.19Å; W142-Y156 HydrophobicContact CG-CE1 4.11Å; K153-Y156 HydrophobicContact CB-CD2 4.18Å; K153-Y156 WeakPolarHBondContact O-CD2 3.49Å; K153-Y156 PolarHBondContact O-N 2.87Å; M154-Y156 VanDerWaalsContact C-N 3.29Å; M154-Y156 PolarHBondContact O-N 2.81Å; Y156-S160 VanDerWaalsContact O-CB 3.31Å; Y156-S160 WeakPolarHBondContact O-CB 3.14Å; Y156-S160 PolarHBondContact O-N 3.47Å; Y156-S160 PolarHBondContact O-OG 3.12Å
157	R	98.5	Very high	96.7	Very high	56 Å²	56	60.7 Å²	60.7	21%	0.211	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-36.2	174.9	-60.1	-173.8	-176.6	162.6	10.6	112	W146 E147 N149 M154 E155 K161	W146-R157 HydrophobicContact CD2-CG 3.88Å; W146-R157 HydrophobicContact CE3-CB 4.47Å; W146-R157 HydrophobicContact CE3-CG 3.93Å; W146-R157 VanDerWaalsContact CH2-CA 3.44Å; W146-R157 HydrophobicContact CH2-CB 3.45Å; W146-R157 VanDerWaalsContact CH2-CB 3.45Å; W146-R157 HydrophobicContact CH2-CG 3.78Å; W146-R157 WeakPolarHBondContact CH2-O 3.47Å; W146-R157 HydrophobicContact CZ2-CB 3.57Å; W146-R157 HydrophobicContact CZ2-CG 3.68Å; W146-R157 HydrophobicContact CZ3-CB 3.94Å; W146-R157 HydrophobicContact CZ3-CG 3.9Å; W146-R157 PolarHBondContact O-NE 2.81Å; W146-R157 PolarHBondContact O-NH2 3.44Å; E147-R157 PolarHBondContact O-NH2 3.39Å; N149-R157 HydrophobicContact CB-CG 4.29Å; N149-R157 PolarHBondContact O-NE 3.48Å; N149-R157 VanDerWaalsContact O-NE 3.13Å; N149-R157 PolarHBondContact O-NH2 2.96Å; N149-R157 VanDerWaalsContact O-NH2 3.14Å; M154-R157 WeakPolarHBondContact O-CB 3.35Å; M154-R157 PolarHBondContact O-N 2.95Å; E155-R157 VanDerWaalsContact C-N 3.26Å; E155-R157 PolarHBondContact O-N 2.89Å; R157-K161 WeakPolarHBondContact O-CG 3.37Å; R157-K161 PolarHBondContact O-N 3.12Å
158	R	98.2	Very high	96.7	Very high	106 Å²	106	62.1 Å²	62.1	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-52.3	178.2	-168.9	-166.8	70.3	70.2	0.3	110.2	M154 E155 K161 Q162	M154-R158 PolarHBondContact O-N 3.24Å; E155-R158 WeakPolarHBondContact O-CA 3.36Å; E155-R158 WeakPolarHBondContact O-CB 3.47Å; E155-R158 PolarHBondContact O-N 3.1Å; E155-R158 IonicContact OE1-CZ 3.43Å; E155-R158 IonicContact OE1-NE 3.3Å; E155-R158 PolarHBondContact OE1-NE 3.15Å; E155-R158 IonicContact OE1-NH2 2.79Å; E155-R158 PolarHBondContact OE1-NH2 3.01Å; E155-R158 WeakPolarHBondContact OE2-CD 3.39Å; E155-R158 IonicContact OE2-NE 2.79Å; E155-R158 PolarHBondContact OE2-NE 2.04Å; R158-K161 PolarHBondContact O-N 3.17Å; R158-Q162 PolarHBondContact O-N 2.79Å
159	L	98.4	Very high	96.6	Very high	12 Å²	12	69 Å²	69	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-43	178.7	-71.2	177.7	0	0	0	112.1	I95 E101 I106 E155 K161 Q162 L163	I95-L159 HydrophobicContact CD1-CD1 3.57Å; I95-L159 HydrophobicContact CG1-CD1 4.18Å; E101-L159 HydrophobicContact CG-CD1 4.23Å; E101-L159 WeakPolarHBondContact OE1-CD2 3.37Å; I106-L159 HydrophobicContact CD1-CB 4.41Å; I106-L159 HydrophobicContact CG2-CB 3.74Å; I106-L159 HydrophobicContact CG2-CD1 4Å; E155-L159 HydrophobicContact CG-CD1 4.46Å; E155-L159 PolarHBondContact O-N 3.32Å; L159-K161 VanDerWaalsContact C-N 3.33Å; L159-K161 PolarHBondContact O-N 3.02Å; L159-Q162 WeakPolarHBondContact O-CB 3.45Å; L159-Q162 PolarHBondContact O-N 2.89Å; L159-L163 PolarHBondContact O-N 2.91Å
160	S	98.7	Very high	96.5	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-42.4	176.5	-58	0	0	0	0	112.4	Q108 Y156 Q162 V164	Q108-S160 PolarHBondContact NE2-OG 3.3Å; Y156-S160 VanDerWaalsContact O-CB 3.31Å; Y156-S160 WeakPolarHBondContact O-CB 3.14Å; Y156-S160 PolarHBondContact O-N 3.47Å; Y156-S160 PolarHBondContact O-OG 3.12Å; S160-Q162 VanDerWaalsContact C-N 3.35Å; S160-V164 PolarHBondContact O-N 3.13Å
161	K	98.6	Very high	96.7	Very high	58 Å²	58	70.5 Å²	70.5	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-68.6	-34.9	174.6	-71.4	-173.4	-61.7	162.4	0	112.4	W146 R157 R158 L159 R165 V176 K177 A180	W146-K161 HydrophobicContact CH2-CG 4.18Å; R157-K161 WeakPolarHBondContact O-CG 3.37Å; R157-K161 PolarHBondContact O-N 3.12Å; R158-K161 PolarHBondContact O-N 3.17Å; L159-K161 VanDerWaalsContact C-N 3.33Å; L159-K161 PolarHBondContact O-N 3.02Å; K161-R165 WeakPolarHBondContact O-CG 3.46Å; K161-R165 PolarHBondContact O-N 3.29Å; K161-V176 HydrophobicContact CB-CG1 3.89Å; K161-V176 HydrophobicContact CG-CG1 4.12Å; K161-K177 HydrophobicContact CD-CB 4.38Å; K161-A180 HydrophobicContact CB-CB 4.41Å; K161-A180 HydrophobicContact CG-CB 3.83Å
162	Q	98.2	Very high	96.9	Very high	72 Å²	72	70.8 Å²	70.8	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-42.5	177.5	-178.1	177.7	-21.2	0	0	110.9	R158 L159 S160 R165 Q166	R158-Q162 PolarHBondContact O-N 2.79Å; L159-Q162 WeakPolarHBondContact O-CB 3.45Å; L159-Q162 PolarHBondContact O-N 2.89Å; S160-Q162 VanDerWaalsContact C-N 3.35Å; Q162-R165 PolarHBondContact O-N 3.5Å; Q162-Q166 WeakPolarHBondContact O-CG 3.36Å; Q162-Q166 PolarHBondContact O-N 3.21Å
163	L	98.3	Very high	97.1	Very high	19 Å²	19	70.8 Å²	70.8	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-55.5	-53.8	174.3	178.3	61.1	0	0	0	110.9	I106 Q108 L109 L159 R165 Q166 E167	I106-L163 HydrophobicContact CD1-CD2 4.08Å; Q108-L163 HydrophobicContact CB-CD2 3.9Å; L109-L163 HydrophobicContact CD2-CD1 3.93Å; L109-L163 HydrophobicContact CD2-CD2 3.86Å; L109-L163 HydrophobicContact CG-CD2 4.05Å; L159-L163 PolarHBondContact O-N 2.91Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.97Å; L163-Q166 WeakPolarHBondContact O-CB 3.44Å; L163-Q166 PolarHBondContact O-N 3.43Å; L163-E167 WeakPolarHBondContact CD1-OE1 3.44Å; L163-E167 PolarHBondContact O-N 2.94Å
164	V	98.5	Very high	97.1	Very high	1 Å²	1	76.3 Å²	76.3	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-41.8	178	173	0	0	0	0	112.2	S160 Q166 E167 R168 L171 V176 L179 A180 E183	S160-V164 PolarHBondContact O-N 3.13Å; V164-Q166 VanDerWaalsContact C-N 3.32Å; V164-Q166 PolarHBondContact O-N 3Å; V164-E167 PolarHBondContact O-N 2.58Å; V164-R168 WeakPolarHBondContact O-CB 3.32Å; V164-R168 PolarHBondContact O-N 2.76Å; V164-L171 HydrophobicContact CG1-CD1 4.14Å; V164-V176 HydrophobicContact CB-CG1 4.33Å; V164-V176 HydrophobicContact CG1-CB 4.35Å; V164-V176 HydrophobicContact CG1-CG1 4.21Å; V164-V176 HydrophobicContact CG1-CG2 4.26Å; V164-L179 HydrophobicContact CG1-CB 4.27Å; V164-L179 HydrophobicContact CG1-CD2 3.85Å; V164-L179 HydrophobicContact CG1-CG 4.23Å; V164-L179 HydrophobicContact CG2-CB 4.49Å; V164-L179 HydrophobicContact CG2-CD2 4.48Å; V164-L179 HydrophobicContact CG2-CG 4.17Å; V164-A180 HydrophobicContact CG2-CB 3.84Å; V164-E183 WeakPolarHBondContact CG2-OE2 3.32Å
165	R	97.4	Very high	97.2	Very high	90 Å²	90	74.4 Å²	74.4	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-34.7	177.5	-73.5	-165.7	-166.4	106.7	-12.4	113	K161 Q162 L163 E167 L169 E173 V176	K161-R165 WeakPolarHBondContact O-CG 3.46Å; K161-R165 PolarHBondContact O-N 3.29Å; Q162-R165 PolarHBondContact O-N 3.5Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.97Å; R165-E167 VanDerWaalsContact C-N 3.27Å; R165-L169 VanDerWaalsContact O-CD2 3.24Å; R165-L169 WeakPolarHBondContact O-CD2 3.33Å; R165-E173 IonicContact CZ-OE1 3.68Å; R165-E173 IonicContact CZ-OE2 3.7Å; R165-E173 IonicContact NE-OE1 3.05Å; R165-E173 PolarHBondContact NE-OE1 3.2Å; R165-E173 IonicContact NE-OE2 3.47Å; R165-E173 IonicContact NH2-OE1 2.95Å; R165-E173 PolarHBondContact NH2-OE1 3.25Å; R165-E173 IonicContact NH2-OE2 3.54Å; R165-E173 PolarHBondContact NH2-OE2 3.22Å; R165-V176 HydrophobicContact CG-CG1 3.78Å; R165-V176 HydrophobicContact CG-CG2 3.89Å
166	Q	96.2	Very high	97.2	Very high	130 Å²	130	71.2 Å²	71.2	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-67.5	-32.5	178.5	-74.3	172.5	-21.1	0	0	111.5	Q162 L163 V164	Q162-Q166 WeakPolarHBondContact O-CG 3.36Å; Q162-Q166 PolarHBondContact O-N 3.21Å; L163-Q166 WeakPolarHBondContact O-CB 3.44Å; L163-Q166 PolarHBondContact O-N 3.43Å; V164-Q166 VanDerWaalsContact C-N 3.32Å; V164-Q166 PolarHBondContact O-N 3Å
167	E	94.9	Very high	97.2	Very high	125 Å²	125	76.3 Å²	76.3	58%	0.584	36%	0.357	S	S	*	.	H	α-helix	trans	-88.5	-30.8	179.8	-64.2	178.9	-177.6	0	0	113	L163 V164 R165	L163-E167 WeakPolarHBondContact CD1-OE1 3.44Å; L163-E167 PolarHBondContact O-N 2.94Å; V164-E167 PolarHBondContact O-N 2.58Å; R165-E167 VanDerWaalsContact C-N 3.27Å
168	R	94.6	Very high	97.2	Very high	107 Å²	107	78.9 Å²	78.9	40%	0.404	38%	0.375	S	S	.	.			trans	-135.2	79.7	-170.6	-64	-61.6	-58	-85.6	-1.9	111.7	V164 D170 L171	V164-R168 WeakPolarHBondContact O-CB 3.32Å; V164-R168 PolarHBondContact O-N 2.76Å; R168-D170 IonicContact CZ-OD1 3.27Å; R168-D170 IonicContact CZ-OD2 3.04Å; R168-D170 IonicContact NE-OD1 3.51Å; R168-D170 PolarHBondContact NE-OD1 3.44Å; R168-D170 IonicContact NE-OD2 2.76Å; R168-D170 IonicContact NH2-OD1 3.22Å; R168-D170 IonicContact NH2-OD2 3.98Å; R168-D170 PolarHBondContact NH2-OD2 2.85Å; R168-D170 PolarHBondContact O-N 3.18Å; R168-L171 HydrophobicContact CB-CD1 3.59Å; R168-L171 HydrophobicContact CB-CG 3.86Å; R168-L171 HydrophobicContact CG-CD1 4.15Å
169	L	92.8	Very high	97.2	Very high	159 Å²	159	76 Å²	76	83%	0.832	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.1	179.3	-65	171.6	0	0	0	113.7	R165	R165-L169 VanDerWaalsContact O-CD2 3.24Å; R165-L169 WeakPolarHBondContact O-CD2 3.33Å
170	D	95.9	Very high	97.2	Very high	111 Å²	111	75.5 Å²	75.5	59%	0.594	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.9	-177.4	60.3	-57.4	0	0	0	114	R168	R168-D170 IonicContact CZ-OD1 3.27Å; R168-D170 IonicContact CZ-OD2 3.04Å; R168-D170 IonicContact NE-OD1 3.51Å; R168-D170 PolarHBondContact NE-OD1 3.44Å; R168-D170 IonicContact NE-OD2 2.76Å; R168-D170 IonicContact NH2-OD1 3.22Å; R168-D170 IonicContact NH2-OD2 3.98Å; R168-D170 PolarHBondContact NH2-OD2 2.85Å; R168-D170 PolarHBondContact O-N 3.18Å
171	L	96.3	Very high	97.2	Very high	44 Å²	44	78.2 Å²	78.2	23%	0.23	38%	0.377	C	S	.	.	S	Bend	trans	-80.3	145.1	-171	-67	-179.1	0	0	0	113.2	V164 R168 D175 V176 L179	V164-L171 HydrophobicContact CG1-CD1 4.14Å; R168-L171 HydrophobicContact CB-CD1 3.59Å; R168-L171 HydrophobicContact CB-CG 3.86Å; R168-L171 HydrophobicContact CG-CD1 4.15Å; L171-D175 HydrophobicContact CB-CB 4.2Å; L171-D175 HydrophobicContact CD2-CB 4.15Å; L171-V176 HydrophobicContact CB-CG2 3.81Å; L171-L179 HydrophobicContact CD1-CD2 3.98Å
172	S	97.3	Very high	97.2	Very high	56 Å²	56	80.3 Å²	80.3	39%	0.392	39%	0.387	S	S	.	.			trans	-67.3	159.4	169.4	80.6	0	0	0	0	111.2	Q174 D175 V176	S172-Q174 PolarHBondContact O-N 3.13Å; S172-Q174 VanDerWaalsContact O-N 3.16Å; S172-Q174 PolarHBondContact OG-N 3.31Å; S172-D175 WeakPolarHBondContact CB-OD2 3.44Å; S172-D175 PolarHBondContact O-N 3.03Å; S172-D175 VanDerWaalsContact O-N 3.08Å; S172-D175 PolarHBondContact OG-N 2.8Å; S172-D175 PolarHBondContact OG-OD2 3.49Å; S172-V176 WeakPolarHBondContact O-CG2 3.36Å; S172-V176 PolarHBondContact O-N 3.05Å
173	E	96.6	Very high	97.3	Very high	110 Å²	110	79.1 Å²	79.1	51%	0.514	38%	0.382	S	S	.	.	H	α-helix	trans	-57.2	-31.2	175	-78.4	-63.3	151.9	0	0	113.7	R165 K177	R165-E173 IonicContact CZ-OE1 3.68Å; R165-E173 IonicContact CZ-OE2 3.7Å; R165-E173 IonicContact NE-OE1 3.05Å; R165-E173 PolarHBondContact NE-OE1 3.2Å; R165-E173 IonicContact NE-OE2 3.47Å; R165-E173 IonicContact NH2-OE1 2.95Å; R165-E173 PolarHBondContact NH2-OE1 3.25Å; R165-E173 IonicContact NH2-OE2 3.54Å; R165-E173 PolarHBondContact NH2-OE2 3.22Å; E173-K177 WeakPolarHBondContact O-CB 3.42Å; E173-K177 PolarHBondContact O-N 3.14Å
174	Q	97.6	Very high	97.3	Very high	157 Å²	157	78.2 Å²	78.2	73%	0.734	38%	0.377	S	S	*	.	H	α-helix	trans	-70.8	-43.2	176.8	179.7	168.6	-15.8	0	0	111.2	S172 K177 L178	S172-Q174 PolarHBondContact O-N 3.13Å; S172-Q174 VanDerWaalsContact O-N 3.16Å; S172-Q174 PolarHBondContact OG-N 3.31Å; Q174-K177 PolarHBondContact O-N 3.18Å; Q174-L178 PolarHBondContact O-N 3.24Å
175	D	98.1	Very high	97.3	Very high	73 Å²	73	79.8 Å²	79.8	39%	0.39	39%	0.385	S	S	.	.	H	α-helix	trans	-70.5	-40.8	179.9	-58.5	-41.8	0	0	0	111.3	L171 S172 K177 L178 L179	L171-D175 HydrophobicContact CB-CB 4.2Å; L171-D175 HydrophobicContact CD2-CB 4.15Å; S172-D175 WeakPolarHBondContact CB-OD2 3.44Å; S172-D175 PolarHBondContact O-N 3.03Å; S172-D175 VanDerWaalsContact O-N 3.08Å; S172-D175 PolarHBondContact OG-N 2.8Å; S172-D175 PolarHBondContact OG-OD2 3.49Å; D175-K177 VanDerWaalsContact C-N 3.27Å; D175-K177 PolarHBondContact O-N 3.22Å; D175-L178 PolarHBondContact O-N 3.11Å; D175-L178 VanDerWaalsContact O-N 3.15Å; D175-L179 WeakPolarHBondContact O-CB 3.11Å; D175-L179 PolarHBondContact O-N 3.13Å
176	V	98.6	Very high	97.4	Very high	1 Å²	1	80.2 Å²	80.2	1%	0.006	39%	0.39	C	S	.	.	H	α-helix	trans	-54.1	-46.3	171.4	167.7	0	0	0	0	110.7	K161 V164 R165 L171 S172 A180	K161-V176 HydrophobicContact CB-CG1 3.89Å; K161-V176 HydrophobicContact CG-CG1 4.12Å; V164-V176 HydrophobicContact CB-CG1 4.33Å; V164-V176 HydrophobicContact CG1-CB 4.35Å; V164-V176 HydrophobicContact CG1-CG1 4.21Å; V164-V176 HydrophobicContact CG1-CG2 4.26Å; R165-V176 HydrophobicContact CG-CG1 3.78Å; R165-V176 HydrophobicContact CG-CG2 3.89Å; L171-V176 HydrophobicContact CB-CG2 3.81Å; S172-V176 WeakPolarHBondContact O-CG2 3.36Å; S172-V176 PolarHBondContact O-N 3.05Å; V176-A180 WeakPolarHBondContact O-CB 3.39Å; V176-A180 PolarHBondContact O-N 2.98Å
177	K	98.3	Very high	97.5	Very high	115 Å²	115	74.8 Å²	74.8	50%	0.5	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-42.3	179.2	178.2	-171.5	169	-166.6	0	111.7	K161 E173 Q174 D175 Q181	K161-K177 HydrophobicContact CD-CB 4.38Å; E173-K177 WeakPolarHBondContact O-CB 3.42Å; E173-K177 PolarHBondContact O-N 3.14Å; Q174-K177 PolarHBondContact O-N 3.18Å; D175-K177 VanDerWaalsContact C-N 3.27Å; D175-K177 PolarHBondContact O-N 3.22Å; K177-Q181 VanDerWaalsContact O-CB 3.28Å; K177-Q181 WeakPolarHBondContact O-CB 3.46Å; K177-Q181 PolarHBondContact O-N 2.95Å
178	L	98.3	Very high	97.7	Very high	111 Å²	111	68.9 Å²	68.9	58%	0.581	34%	0.339	S	S	*	.	H	α-helix	trans	-65.4	-48.2	-178.7	-177.2	66.3	0	0	0	110.8	Q174 D175 Q181 Q182	Q174-L178 PolarHBondContact O-N 3.24Å; D175-L178 PolarHBondContact O-N 3.11Å; D175-L178 VanDerWaalsContact O-N 3.15Å; L178-Q181 WeakPolarHBondContact O-CB 3.28Å; L178-Q181 PolarHBondContact O-N 2.76Å; L178-Q182 PolarHBondContact O-N 2.74Å
179	L	98.5	Very high	97.9	Very high	46 Å²	46	69 Å²	69	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-46.5	179.4	-176	56.1	0	0	0	111.4	V164 L171 D175 Q181 Q182 E183	V164-L179 HydrophobicContact CG1-CB 4.27Å; V164-L179 HydrophobicContact CG1-CD2 3.85Å; V164-L179 HydrophobicContact CG1-CG 4.23Å; V164-L179 HydrophobicContact CG2-CB 4.49Å; V164-L179 HydrophobicContact CG2-CD2 4.48Å; V164-L179 HydrophobicContact CG2-CG 4.17Å; L171-L179 HydrophobicContact CD1-CD2 3.98Å; D175-L179 WeakPolarHBondContact O-CB 3.11Å; D175-L179 PolarHBondContact O-N 3.13Å; L179-Q181 VanDerWaalsContact C-N 3.25Å; L179-Q181 PolarHBondContact O-N 2.97Å; L179-Q182 PolarHBondContact O-N 3.22Å; L179-E183 HydrophobicContact CD1-CG 4.1Å; L179-E183 WeakPolarHBondContact CD1-OE1 3.24Å; L179-E183 HydrophobicContact CG-CG 4.44Å; L179-E183 WeakPolarHBondContact CG-OE1 3.37Å; L179-E183 WeakPolarHBondContact O-CG 3.34Å; L179-E183 PolarHBondContact O-N 2.95Å
180	A	98.7	Very high	98.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-35.2	176.7	0	0	0	0	0	112.7	W146 K161 V164 V176 F184	W146-A180 HydrophobicContact CH2-CB 4.17Å; W146-A180 HydrophobicContact CZ3-CB 4.43Å; K161-A180 HydrophobicContact CB-CB 4.41Å; K161-A180 HydrophobicContact CG-CB 3.83Å; V164-A180 HydrophobicContact CG2-CB 3.84Å; V176-A180 WeakPolarHBondContact O-CB 3.39Å; V176-A180 PolarHBondContact O-N 2.98Å; A180-F184 WeakPolarHBondContact O-CB 3.46Å; A180-F184 PolarHBondContact O-N 3.41Å; A180-F184 VanDerWaalsContact O-N 3.11Å
181	Q	98.8	Very high	98.3	Very high	58 Å²	58	60.6 Å²	60.6	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-65.6	-46.9	173.7	167.1	174.2	-22.4	0	0	111.1	W146 K177 L178 L179 E185	W146-Q181 HydrophobicContact CB-CB 4.38Å; W146-Q181 HydrophobicContact CB-CG 3.71Å; W146-Q181 HydrophobicContact CD2-CB 3.85Å; W146-Q181 HydrophobicContact CD2-CG 4.16Å; W146-Q181 HydrophobicContact CE3-CB 4.17Å; W146-Q181 HydrophobicContact CG-CB 3.96Å; W146-Q181 HydrophobicContact CG-CG 3.73Å; K177-Q181 VanDerWaalsContact O-CB 3.28Å; K177-Q181 WeakPolarHBondContact O-CB 3.46Å; K177-Q181 PolarHBondContact O-N 2.95Å; L178-Q181 WeakPolarHBondContact O-CB 3.28Å; L178-Q181 PolarHBondContact O-N 2.76Å; L179-Q181 VanDerWaalsContact C-N 3.25Å; L179-Q181 PolarHBondContact O-N 2.97Å; Q181-E185 WeakPolarHBondContact O-CG 3.46Å; Q181-E185 PolarHBondContact O-N 3.37Å
182	Q	98.6	Very high	98.4	Very high	101 Å²	101	58.7 Å²	58.7	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-54.8	-179.9	-179.9	178	-14	0	0	111	L178 L179 F184 E185 E186	L178-Q182 PolarHBondContact O-N 2.74Å; L179-Q182 PolarHBondContact O-N 3.22Å; Q182-F184 VanDerWaalsContact C-N 3.31Å; Q182-F184 PolarHBondContact O-N 3Å; Q182-E185 PolarHBondContact O-N 2.95Å; Q182-E186 HydrophobicContact CG-CG 4.41Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.39Å; Q182-E186 PolarHBondContact NE2-OE1 2.76Å; Q182-E186 WeakPolarHBondContact O-CB 3.4Å; Q182-E186 WeakPolarHBondContact O-CG 3.38Å; Q182-E186 PolarHBondContact O-N 3.46Å
183	E	98.7	Very high	98.5	Very high	47 Å²	47	56.9 Å²	56.9	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-38.8	-178.4	-67.6	172.3	-179.4	0	0	112.3	Q108 V164 L179 S187	Q108-E183 HydrophobicContact CG-CB 4.05Å; V164-E183 WeakPolarHBondContact CG2-OE2 3.32Å; L179-E183 HydrophobicContact CD1-CG 4.1Å; L179-E183 WeakPolarHBondContact CD1-OE1 3.24Å; L179-E183 HydrophobicContact CG-CG 4.44Å; L179-E183 WeakPolarHBondContact CG-OE1 3.37Å; L179-E183 WeakPolarHBondContact O-CG 3.34Å; L179-E183 PolarHBondContact O-N 2.95Å; E183-S187 VanDerWaalsContact O-CB 3.27Å; E183-S187 WeakPolarHBondContact O-CB 3.42Å; E183-S187 PolarHBondContact O-N 2.92Å; E183-S187 PolarHBondContact O-OG 2.79Å
184	F	98.9	Very high	98.6	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-51.4	175.3	177.2	-91.2	0	0	0	111.8	P107 W142 L143 W146 N149 A180 Q182 S187 A188	P107-F184 HydrophobicContact CG-CD2 3.77Å; P107-F184 HydrophobicContact CG-CE2 3.68Å; P107-F184 HydrophobicContact CG-CZ 4.4Å; W142-F184 HydrophobicContact CB-CZ 4.1Å; W142-F184 HydrophobicContact CE3-CZ 4.48Å; W142-F184 HydrophobicContact CG-CZ 4.43Å; L143-F184 WeakPolarHBondContact O-CE1 3.27Å; W146-F184 HydrophobicContact CE3-CB 3.96Å; W146-F184 HydrophobicContact CE3-CD1 4.01Å; W146-F184 HydrophobicContact CE3-CG 4.01Å; W146-F184 HydrophobicContact CZ3-CB 4.14Å; W146-F184 HydrophobicContact CZ3-CG 4.37Å; N149-F184 WeakPolarHBondContact ND2-CE1 3.24Å; A180-F184 WeakPolarHBondContact O-CB 3.46Å; A180-F184 PolarHBondContact O-N 3.41Å; A180-F184 VanDerWaalsContact O-N 3.11Å; Q182-F184 VanDerWaalsContact C-N 3.31Å; Q182-F184 PolarHBondContact O-N 3Å; F184-S187 PolarHBondContact O-N 2.76Å; F184-A188 HydrophobicContact CE1-CB 4.35Å; F184-A188 WeakPolarHBondContact O-CB 3.26Å; F184-A188 PolarHBondContact O-N 2.9Å
185	E	98.8	Very high	98.6	Very high	34 Å²	34	46.8 Å²	46.8	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-36.6	-177.3	-68.6	-167	162.2	0	0	111.5	P144 L145 W146 Q181 Q182 R189 R242	P144-E185 WeakPolarHBondContact O-CG 3.33Å; L145-E185 WeakPolarHBondContact CA-OE1 3.02Å; W146-E185 HydrophobicContact CB-CG 3.93Å; W146-E185 WeakPolarHBondContact CB-OE1 3.49Å; W146-E185 PolarHBondContact N-OE1 2.78Å; Q181-E185 WeakPolarHBondContact O-CG 3.46Å; Q181-E185 PolarHBondContact O-N 3.37Å; Q182-E185 PolarHBondContact O-N 2.95Å; E185-R189 VanDerWaalsContact O-CB 3.25Å; E185-R189 WeakPolarHBondContact O-CB 3.46Å; E185-R189 PolarHBondContact O-N 3.02Å; E185-R242 IonicContact OE1-NH2 3.99Å; E185-R242 PolarHBondContact OE1-NH2 3.04Å; E185-R242 IonicContact OE2-NH2 2.73Å; E185-R242 PolarHBondContact OE2-NH2 2.8Å
186	E	98.8	Very high	98.7	Very high	99 Å²	99	43.3 Å²	43.3	46%	0.463	20%	0.203	S	C	.	.	H	α-helix	trans	-63.1	-50	174.2	-74.9	175.5	-172.4	0	0	111.4	Q182 R189 M190	Q182-E186 HydrophobicContact CG-CG 4.41Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.39Å; Q182-E186 PolarHBondContact NE2-OE1 2.76Å; Q182-E186 WeakPolarHBondContact O-CB 3.4Å; Q182-E186 WeakPolarHBondContact O-CG 3.38Å; Q182-E186 PolarHBondContact O-N 3.46Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 3.07Å; E186-M190 WeakPolarHBondContact O-CG 3.39Å; E186-M190 PolarHBondContact O-N 3.46Å
187	S	98.8	Very high	98.6	Very high	16 Å²	16	47.3 Å²	47.3	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-41.5	179.8	-56.3	0	0	0	0	112.1	E183 F184 R189 M190 F191	E183-S187 VanDerWaalsContact O-CB 3.27Å; E183-S187 WeakPolarHBondContact O-CB 3.42Å; E183-S187 PolarHBondContact O-N 2.92Å; E183-S187 PolarHBondContact O-OG 2.79Å; F184-S187 PolarHBondContact O-N 2.76Å; S187-R189 VanDerWaalsContact C-N 3.29Å; S187-R189 PolarHBondContact O-N 3.38Å; S187-M190 PolarHBondContact O-N 3.06Å; S187-F191 WeakPolarHBondContact O-CD2 2.96Å; S187-F191 PolarHBondContact O-N 2.84Å
188	A	98.8	Very high	98.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-41.8	175	0	0	0	0	0	111.6	P107 W142 P144 F184 M192	P107-A188 HydrophobicContact CG-CB 4.11Å; W142-A188 HydrophobicContact CE3-CB 4.06Å; W142-A188 HydrophobicContact CH2-CB 4.02Å; W142-A188 HydrophobicContact CZ3-CB 3.54Å; P144-A188 HydrophobicContact CB-CB 4.3Å; F184-A188 HydrophobicContact CE1-CB 4.35Å; F184-A188 WeakPolarHBondContact O-CB 3.26Å; F184-A188 PolarHBondContact O-N 2.9Å; A188-M192 WeakPolarHBondContact O-CG 3.42Å; A188-M192 PolarHBondContact O-N 3.19Å; A188-M192 VanDerWaalsContact O-N 3.11Å
189	R	98.8	Very high	98.6	Very high	109 Å²	109	37 Å²	37	41%	0.411	17%	0.169	S	C	.	.	H	α-helix	trans	-61.1	-50.3	173.2	172.2	173.4	178.9	-174.8	-2.2	111.3	E185 E186 S187 F191 M192 E193 W245	E185-R189 VanDerWaalsContact O-CB 3.25Å; E185-R189 WeakPolarHBondContact O-CB 3.46Å; E185-R189 PolarHBondContact O-N 3.02Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 3.07Å; S187-R189 VanDerWaalsContact C-N 3.29Å; S187-R189 PolarHBondContact O-N 3.38Å; R189-F191 PolarHBondContact O-N 2.81Å; R189-M192 PolarHBondContact O-N 2.9Å; R189-E193 HydrophobicContact CG-CB 4.43Å; R189-E193 IonicContact CZ-OE2 3.71Å; R189-E193 IonicContact NE-OE2 3.5Å; R189-E193 PolarHBondContact NE-OE2 2.96Å; R189-E193 IonicContact NH2-OE1 3.69Å; R189-E193 IonicContact NH2-OE2 2.72Å; R189-E193 PolarHBondContact NH2-OE2 3.19Å; R189-E193 WeakPolarHBondContact O-CB 3.25Å; R189-E193 PolarHBondContact O-N 3.43Å; R189-W245 HydrophobicContact CB-CD2 4.4Å; R189-W245 HydrophobicContact CB-CH2 4.13Å; R189-W245 HydrophobicContact CB-CZ2 3.9Å; R189-W245 HydrophobicContact CB-CZ3 4.46Å; R189-W245 HydrophobicContact CG-CD2 3.65Å; R189-W245 HydrophobicContact CG-CE3 3.82Å; R189-W245 HydrophobicContact CG-CG 4.13Å; R189-W245 HydrophobicContact CG-CH2 4.25Å; R189-W245 HydrophobicContact CG-CZ2 4.06Å; R189-W245 HydrophobicContact CG-CZ3 4.12Å
190	M	98.6	Very high	98.5	Very high	91 Å²	91	35.5 Å²	35.5	45%	0.448	16%	0.162	S	C	.	.	H	α-helix	trans	-55.6	-49.6	179.9	-71.6	-169.5	-68.3	0	0	111.7	L112 E186 S187 M192 E194	L112-M190 HydrophobicContact CD2-CB 4.03Å; E186-M190 WeakPolarHBondContact O-CG 3.39Å; E186-M190 PolarHBondContact O-N 3.46Å; S187-M190 PolarHBondContact O-N 3.06Å; M190-M192 PolarHBondContact O-N 3.48Å; M190-E194 VanDerWaalsContact O-CB 3.29Å; M190-E194 WeakPolarHBondContact O-CB 3Å; M190-E194 VanDerWaalsContact O-CG 3.31Å; M190-E194 WeakPolarHBondContact O-CG 3.39Å; M190-E194 PolarHBondContact O-N 3.16Å
191	F	98.8	Very high	98.4	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-47.9	178.6	-92.4	-90.3	0	0	0	112.7	P93 P107 L112 H115 W142 S187 R189 T195	P93-F191 HydrophobicContact CG-CD1 4.23Å; P93-F191 HydrophobicContact CG-CE1 4.05Å; P93-F191 HydrophobicContact CG-CE2 4.38Å; P93-F191 HydrophobicContact CG-CG 4.48Å; P93-F191 HydrophobicContact CG-CZ 4.14Å; P107-F191 HydrophobicContact CB-CD2 4.16Å; P107-F191 WeakPolarHBondContact O-CE2 3.37Å; L112-F191 HydrophobicContact CB-CE2 4.25Å; L112-F191 HydrophobicContact CB-CZ 4.17Å; L112-F191 HydrophobicContact CD1-CD1 4.02Å; L112-F191 HydrophobicContact CD1-CD2 4.21Å; L112-F191 HydrophobicContact CD1-CE1 4.15Å; L112-F191 HydrophobicContact CD1-CE2 4.33Å; L112-F191 HydrophobicContact CD1-CG 4.05Å; L112-F191 HydrophobicContact CD1-CZ 4.29Å; H115-F191 HydrophobicContact CB-CE1 3.84Å; H115-F191 AromaticContact CG-CE1 3.75Å; H115-F191 AromaticContact ND1-CE1 3.85Å; W142-F191 HydrophobicContact CH2-CB 4.21Å; S187-F191 WeakPolarHBondContact O-CD2 2.96Å; S187-F191 PolarHBondContact O-N 2.84Å; R189-F191 PolarHBondContact O-N 2.81Å; F191-T195 WeakPolarHBondContact O-CB 3.3Å; F191-T195 PolarHBondContact O-N 3.27Å; F191-T195 PolarHBondContact O-OG1 2.89Å
192	M	98.8	Very high	98.3	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-73.3	-41.3	-177.5	-68.8	-176.3	75.2	0	0	112.7	W139 W142 P144 A188 R189 M190 L196 F210 F213 W245 L246	W139-M192 HydrophobicContact CE3-CG 4.43Å; W139-M192 HydrophobicContact CZ3-CG 4.47Å; W142-M192 HydrophobicContact CH2-CG 3.98Å; W142-M192 HydrophobicContact CH2-SD 4.4Å; W142-M192 HydrophobicContact CZ3-CG 3.97Å; W142-M192 HydrophobicContact CZ3-SD 3.78Å; P144-M192 HydrophobicContact CB-SD 3.72Å; P144-M192 HydrophobicContact CG-CE 4.38Å; P144-M192 HydrophobicContact CG-SD 3.72Å; A188-M192 WeakPolarHBondContact O-CG 3.42Å; A188-M192 PolarHBondContact O-N 3.19Å; A188-M192 VanDerWaalsContact O-N 3.11Å; R189-M192 PolarHBondContact O-N 2.9Å; M190-M192 PolarHBondContact O-N 3.48Å; M192-L196 PolarHBondContact O-N 2.85Å; M192-L196 VanDerWaalsContact O-N 3.16Å; M192-F210 HydrophobicContact CB-CE2 3.91Å; M192-F210 HydrophobicContact CB-CZ 3.87Å; M192-F210 HydrophobicContact CE-CB 4.41Å; M192-F210 HydrophobicContact CE-CD1 3.82Å; M192-F210 HydrophobicContact CE-CD2 3.62Å; M192-F210 HydrophobicContact CE-CE1 3.88Å; M192-F210 HydrophobicContact CE-CE2 3.64Å; M192-F210 HydrophobicContact CE-CG 3.68Å; M192-F210 HydrophobicContact CE-CZ 3.8Å; M192-F210 HydrophobicContact CG-CE1 4.37Å; M192-F210 HydrophobicContact CG-CE2 4.25Å; M192-F210 HydrophobicContact CG-CZ 3.87Å; M192-F213 HydrophobicContact CE-CE2 4.25Å; M192-F213 HydrophobicContact CE-CZ 4.3Å; M192-W245 HydrophobicContact CB-CH2 3.83Å; M192-W245 HydrophobicContact CB-CZ3 3.74Å; M192-W245 HydrophobicContact SD-CH2 4.16Å; M192-L246 HydrophobicContact CB-CD1 4.32Å; M192-L246 HydrophobicContact CE-CD1 3.93Å; M192-L246 HydrophobicContact CE-CD2 4.14Å
193	E	98.6	Very high	98.2	Very high	18 Å²	18	40 Å²	40	8%	0.084	17%	0.172	C	C	.	.	H	α-helix	trans	-70.9	-48.8	-176.1	-163.8	178.6	168.8	0	0	111.5	R189 T195 L196 R197 W245 Q249	R189-E193 HydrophobicContact CG-CB 4.43Å; R189-E193 IonicContact CZ-OE2 3.71Å; R189-E193 IonicContact NE-OE2 3.5Å; R189-E193 PolarHBondContact NE-OE2 2.96Å; R189-E193 IonicContact NH2-OE1 3.69Å; R189-E193 IonicContact NH2-OE2 2.72Å; R189-E193 PolarHBondContact NH2-OE2 3.19Å; R189-E193 WeakPolarHBondContact O-CB 3.25Å; R189-E193 PolarHBondContact O-N 3.43Å; E193-T195 VanDerWaalsContact C-N 3.34Å; E193-T195 PolarHBondContact O-N 3.22Å; E193-L196 PolarHBondContact O-N 3.34Å; E193-R197 WeakPolarHBondContact O-CB 3.33Å; E193-R197 PolarHBondContact O-N 3.35Å; E193-R197 IonicContact OE1-NH2 3.84Å; E193-R197 PolarHBondContact OE1-NH2 3.39Å; E193-W245 HydrophobicContact CB-CE3 3.78Å; E193-W245 HydrophobicContact CB-CZ3 4.01Å; E193-W245 HydrophobicContact CG-CE3 4.1Å; E193-Q249 HydrophobicContact CG-CG 3.6Å; E193-Q249 PolarHBondContact OE1-NE2 2.93Å
194	E	98.7	Very high	98	Very high	54 Å²	54	42.3 Å²	42.3	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-68	-35.6	-179.2	-63.4	-52.5	140	0	0	111.9	L112 L116 M190 R197 L198	L112-E194 HydrophobicContact CD2-CG 4.29Å; L116-E194 HydrophobicContact CD1-CB 3.92Å; L116-E194 HydrophobicContact CD2-CB 4Å; M190-E194 VanDerWaalsContact O-CB 3.29Å; M190-E194 WeakPolarHBondContact O-CB 3Å; M190-E194 VanDerWaalsContact O-CG 3.31Å; M190-E194 WeakPolarHBondContact O-CG 3.39Å; M190-E194 PolarHBondContact O-N 3.16Å; E194-R197 PolarHBondContact O-N 2.76Å; E194-R197 IonicContact OE1-CZ 2.9Å; E194-R197 VanDerWaalsContact OE1-CZ 3.32Å; E194-R197 IonicContact OE1-NH1 3.77Å; E194-R197 PolarHBondContact OE1-NH1 3.41Å; E194-R197 IonicContact OE1-NH2 3.19Å; E194-R197 PolarHBondContact OE1-NH2 2.77Å; E194-R197 IonicContact OE2-CZ 2.75Å; E194-R197 IonicContact OE2-NH1 3.8Å; E194-R197 PolarHBondContact OE2-NH1 2.9Å; E194-L198 VanDerWaalsContact O-CB 3.31Å; E194-L198 WeakPolarHBondContact O-CB 3.26Å; E194-L198 PolarHBondContact O-N 3.22Å
195	T	98.8	Very high	97.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-46.6	174.4	-58.2	0	0	0	0	111	L89 H115 V119 I137 W139 F191 E193 L198 V199	L89-T195 HydrophobicContact CD2-CG2 4.14Å; H115-T195 PolarHBondContact NE2-OG1 3.33Å; V119-T195 HydrophobicContact CG2-CG2 4.38Å; I137-T195 HydrophobicContact CD1-CG2 3.92Å; W139-T195 HydrophobicContact CH2-CG2 3.99Å; W139-T195 HydrophobicContact CZ2-CG2 4.41Å; F191-T195 WeakPolarHBondContact O-CB 3.3Å; F191-T195 PolarHBondContact O-N 3.27Å; F191-T195 PolarHBondContact O-OG1 2.89Å; E193-T195 VanDerWaalsContact C-N 3.34Å; E193-T195 PolarHBondContact O-N 3.22Å; T195-L198 PolarHBondContact O-N 3.42Å; T195-V199 HydrophobicContact CG2-CG1 4.49Å; T195-V199 WeakPolarHBondContact O-CG1 3.33Å; T195-V199 PolarHBondContact O-N 2.83Å
196	L	98.2	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-45.8	176	-85.2	176	0	0	0	111.9	I137 M192 E193 L198 V199 V200 W208 F210 L246 Q249	I137-L196 HydrophobicContact CD1-CD2 4.12Å; M192-L196 PolarHBondContact O-N 2.85Å; M192-L196 VanDerWaalsContact O-N 3.16Å; E193-L196 PolarHBondContact O-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.26Å; L196-L198 PolarHBondContact O-N 3.03Å; L196-V199 HydrophobicContact CD2-CG2 4.3Å; L196-V199 VanDerWaalsContact O-CG2 3.24Å; L196-V199 WeakPolarHBondContact O-CG2 3.5Å; L196-V199 PolarHBondContact O-N 2.71Å; L196-V200 WeakPolarHBondContact O-CB 3.49Å; L196-V200 VanDerWaalsContact O-CG2 3.27Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.79Å; L196-W208 HydrophobicContact CD2-CB 4.32Å; L196-F210 HydrophobicContact CD1-CD2 3.77Å; L196-F210 HydrophobicContact CD1-CE2 3.57Å; L196-F210 HydrophobicContact CD2-CD2 4.34Å; L196-F210 HydrophobicContact CD2-CE2 4.19Å; L196-F210 HydrophobicContact CG-CD2 4.06Å; L196-F210 HydrophobicContact CG-CE2 3.55Å; L196-F210 HydrophobicContact CG-CZ 4.47Å; L196-L246 HydrophobicContact CD1-CD1 3.57Å; L196-L246 HydrophobicContact CD1-CG 4.47Å; L196-Q249 HydrophobicContact CB-CB 3.82Å; L196-Q249 HydrophobicContact CD1-CB 4.18Å
197	R	97.8	Very high	97.3	Very high	86 Å²	86	38.9 Å²	38.9	33%	0.325	19%	0.186	S	C	.	.	H	α-helix	trans	-58.2	-42.1	178.3	-168.5	-179.3	-60.9	146.2	3.8	111.2	E193 E194 R201	E193-R197 WeakPolarHBondContact O-CB 3.33Å; E193-R197 PolarHBondContact O-N 3.35Å; E193-R197 IonicContact OE1-NH2 3.84Å; E193-R197 PolarHBondContact OE1-NH2 3.39Å; E194-R197 PolarHBondContact O-N 2.76Å; E194-R197 IonicContact OE1-CZ 2.9Å; E194-R197 VanDerWaalsContact OE1-CZ 3.32Å; E194-R197 IonicContact OE1-NH1 3.77Å; E194-R197 PolarHBondContact OE1-NH1 3.41Å; E194-R197 IonicContact OE1-NH2 3.19Å; E194-R197 PolarHBondContact OE1-NH2 2.77Å; E194-R197 IonicContact OE2-CZ 2.75Å; E194-R197 IonicContact OE2-NH1 3.8Å; E194-R197 PolarHBondContact OE2-NH1 2.9Å; R197-R201 WeakPolarHBondContact O-CB 3.49Å; R197-R201 PolarHBondContact O-N 2.9Å
198	L	98.6	Very high	97.2	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-50.6	177.6	179.2	60.4	0	0	0	112.1	L116 V119 E120 E194 T195 L196 V200 R201 R202	L116-L198 HydrophobicContact CB-CD2 4.09Å; L116-L198 HydrophobicContact CD2-CB 4.4Å; L116-L198 HydrophobicContact CD2-CD2 3.89Å; L116-L198 VanDerWaalsContact O-CD2 3.32Å; L116-L198 WeakPolarHBondContact O-CD2 3.41Å; V119-L198 HydrophobicContact CB-CD2 3.8Å; V119-L198 HydrophobicContact CG1-CD2 3.6Å; V119-L198 HydrophobicContact CG1-CG 4.18Å; E120-L198 HydrophobicContact CB-CD2 4.42Å; E194-L198 VanDerWaalsContact O-CB 3.31Å; E194-L198 WeakPolarHBondContact O-CB 3.26Å; E194-L198 PolarHBondContact O-N 3.22Å; T195-L198 PolarHBondContact O-N 3.42Å; L196-L198 VanDerWaalsContact C-N 3.26Å; L196-L198 PolarHBondContact O-N 3.03Å; L198-V200 VanDerWaalsContact C-N 3.32Å; L198-V200 PolarHBondContact O-N 2.98Å; L198-R201 PolarHBondContact O-N 3.09Å; L198-R202 HydrophobicContact CD1-CG 3.73Å; L198-R202 HydrophobicContact CG-CG 4.33Å; L198-R202 WeakPolarHBondContact O-CB 3.36Å; L198-R202 VanDerWaalsContact O-CG 3.26Å; L198-R202 WeakPolarHBondContact O-CG 3.39Å; L198-R202 PolarHBondContact O-N 3.01Å
199	V	98.1	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-38.9	-178.6	-57.8	0	0	0	0	111.5	L89 V119 L123 I137 T195 L196 R203 W208	L89-V199 HydrophobicContact CD2-CG1 4.37Å; V119-V199 HydrophobicContact CG1-CG1 4.11Å; L123-V199 HydrophobicContact CD1-CB 4.23Å; L123-V199 HydrophobicContact CD1-CG1 3.92Å; L123-V199 HydrophobicContact CD2-CG1 4.21Å; I137-V199 HydrophobicContact CD1-CG2 4.48Å; T195-V199 HydrophobicContact CG2-CG1 4.49Å; T195-V199 WeakPolarHBondContact O-CG1 3.33Å; T195-V199 PolarHBondContact O-N 2.83Å; L196-V199 HydrophobicContact CD2-CG2 4.3Å; L196-V199 VanDerWaalsContact O-CG2 3.24Å; L196-V199 WeakPolarHBondContact O-CG2 3.5Å; L196-V199 PolarHBondContact O-N 2.71Å; V199-R203 PolarHBondContact O-N 2.97Å; V199-W208 HydrophobicContact CB-CD2 3.86Å; V199-W208 HydrophobicContact CB-CE3 3.94Å; V199-W208 HydrophobicContact CB-CG 4.43Å; V199-W208 HydrophobicContact CB-CH2 4.14Å; V199-W208 HydrophobicContact CB-CZ2 4.09Å; V199-W208 HydrophobicContact CB-CZ3 4.07Å; V199-W208 HydrophobicContact CG1-CZ3 4.31Å; V199-W208 HydrophobicContact CG2-CB 4.08Å; V199-W208 HydrophobicContact CG2-CD2 3.54Å; V199-W208 HydrophobicContact CG2-CE3 3.65Å; V199-W208 HydrophobicContact CG2-CG 3.74Å; V199-W208 HydrophobicContact CG2-CZ3 4.25Å; V199-W208 PolarHBondContact O-NE1 2.99Å
200	V	96.3	Very high	97.2	Very high	16 Å²	16	33.1 Å²	33.1	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-46.8	176.2	171.8	0	0	0	0	110.4	L196 L198 R202 R203 P204 W208 T251	L196-V200 WeakPolarHBondContact O-CB 3.49Å; L196-V200 VanDerWaalsContact O-CG2 3.27Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.79Å; L198-V200 VanDerWaalsContact C-N 3.32Å; L198-V200 PolarHBondContact O-N 2.98Å; V200-R202 VanDerWaalsContact C-N 3.35Å; V200-R202 PolarHBondContact O-N 3.32Å; V200-R203 CarbonylContact O-C 3.53Å; V200-R203 VanDerWaalsContact O-C 3.28Å; V200-R203 PolarHBondContact O-N 2.77Å; V200-P204 WeakPolarHBondContact O-CA 3.33Å; V200-P204 VanDerWaalsContact O-N 3.09Å; V200-W208 HydrophobicContact CG2-CB 3.87Å; V200-W208 HydrophobicContact CG2-CG 4.1Å; V200-T251 HydrophobicContact CG1-CG2 4.04Å; V200-T251 HydrophobicContact CG2-CG2 3.92Å
201	R	96.1	Very high	97.2	Very high	167 Å²	167	29.9 Å²	29.9	63%	0.63	15%	0.145	S	C	*	.	H	α-helix	trans	-60	-43.8	177.5	-177.1	-179.4	69.9	-165	4.1	112.2	R197 L198	R197-R201 WeakPolarHBondContact O-CB 3.49Å; R197-R201 PolarHBondContact O-N 2.9Å; L198-R201 PolarHBondContact O-N 3.09Å
202	R	96.9	Very high	97.2	Very high	80 Å²	80	30.4 Å²	30.4	30%	0.302	15%	0.151	S	C	.	.	H	α-helix	trans	-75	-31.2	-177.2	-66.5	-64.5	-64.8	-177.2	5.3	112.4	E120 L123 D124 L198 V200	E120-R202 WeakPolarHBondContact OE1-CD 3.48Å; E120-R202 IonicContact OE1-CZ 3.13Å; E120-R202 IonicContact OE1-NE 2.75Å; E120-R202 PolarHBondContact OE1-NE 2.9Å; E120-R202 IonicContact OE1-NH1 2.62Å; E120-R202 PolarHBondContact OE1-NH1 3.25Å; E120-R202 IonicContact OE1-NH2 3.15Å; L123-R202 HydrophobicContact CD1-CB 3.87Å; L123-R202 HydrophobicContact CD1-CG 4.14Å; D124-R202 IonicContact OD1-CZ 2.97Å; D124-R202 IonicContact OD1-NE 2.86Å; D124-R202 IonicContact OD1-NH2 3.51Å; D124-R202 PolarHBondContact OD1-NH2 2.93Å; D124-R202 IonicContact OD2-CZ 2.63Å; D124-R202 IonicContact OD2-NH2 2.84Å; D124-R202 PolarHBondContact OD2-NH2 3.49Å; L198-R202 HydrophobicContact CD1-CG 3.73Å; L198-R202 HydrophobicContact CG-CG 4.33Å; L198-R202 WeakPolarHBondContact O-CB 3.36Å; L198-R202 VanDerWaalsContact O-CG 3.26Å; L198-R202 WeakPolarHBondContact O-CG 3.39Å; L198-R202 PolarHBondContact O-N 3.01Å; V200-R202 VanDerWaalsContact C-N 3.35Å; V200-R202 PolarHBondContact O-N 3.32Å
203	R	96.9	Very high	97.1	Very high	6 Å²	6	31 Å²	31	2%	0.023	15%	0.153	C	C	.	.	S	Bend	trans	-135.4	71.7	-177.3	-59.5	-61.6	179.1	-86.9	-4	110	L123 D124 L127 R128 F131 V199 V200 G205 G206 W208	L123-R203 VanDerWaalsContact C-NH2 3.25Å; L123-R203 PolarHBondContact O-NH2 3.09Å; D124-R203 VanDerWaalsContact CA-NH2 3.29Å; D124-R203 IonicContact OD1-CZ 2.86Å; D124-R203 IonicContact OD1-NH1 3.48Å; D124-R203 PolarHBondContact OD1-NH1 3.47Å; D124-R203 IonicContact OD1-NH2 2.68Å; D124-R203 PolarHBondContact OD1-NH2 3.17Å; L127-R203 HydrophobicContact CB-CG 4.47Å; L127-R203 HydrophobicContact CD1-CG 4.45Å; L127-R203 PolarHBondContact O-NE 3.23Å; L127-R203 VanDerWaalsContact O-NE 3.11Å; L127-R203 PolarHBondContact O-NH2 3.28Å; R128-R203 WeakPolarHBondContact O-CD 3.48Å; R128-R203 PolarHBondContact O-NE 2.92Å; R128-R203 VanDerWaalsContact O-NE 3.11Å; F131-R203 HydrophobicContact CB-CB 4.29Å; F131-R203 HydrophobicContact CB-CG 4.34Å; F131-R203 HydrophobicContact CD1-CB 4.21Å; V199-R203 PolarHBondContact O-N 2.97Å; V200-R203 CarbonylContact O-C 3.53Å; V200-R203 VanDerWaalsContact O-C 3.28Å; V200-R203 PolarHBondContact O-N 2.77Å; R203-G205 VanDerWaalsContact C-N 3.27Å; R203-G205 PolarHBondContact O-N 2.72Å; R203-G206 PolarHBondContact O-N 3.39Å; R203-W208 HydrophobicContact CB-CZ2 3.82Å; R203-W208 HydrophobicContact CG-CZ2 4.17Å; R203-W208 PolarHBondContact O-NE1 3.36Å
204	P	93.1	Very high	97.1	Very high	96 Å²	96	30.3 Å²	30.3	62%	0.623	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.4	-168.1	26.3	-35.9	0	0	0	114.7	V200 G206	V200-P204 WeakPolarHBondContact O-CA 3.33Å; V200-P204 VanDerWaalsContact O-N 3.09Å; P204-G206 VanDerWaalsContact C-N 3.29Å
205	G	91.9	Very high	97	Very high	39 Å²	39	29.2 Å²	29.2	40%	0.402	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.1	172.7	0	0	0	0	0	113.8	F131 S132 R203	F131-G205 CarbonylContact O-C 3.18Å; F131-G205 VanDerWaalsContact O-C 3.24Å; F131-G205 WeakPolarHBondContact O-CA 3.4Å; S132-G205 VanDerWaalsContact CA-O 3.27Å; S132-G205 WeakPolarHBondContact CA-O 3.44Å; R203-G205 VanDerWaalsContact C-N 3.27Å; R203-G205 PolarHBondContact O-N 2.72Å
206	G	94.6	Very high	96.9	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	15%	0.15	C	C	.	.	S	Bend	trans	-73.1	144.1	-174.5	0	0	0	0	0	112.5	F131 R203 P204 W208 T251	F131-G206 PolarHBondContact O-N 3.27Å; F131-G206 VanDerWaalsContact O-N 3.13Å; R203-G206 PolarHBondContact O-N 3.39Å; P204-G206 VanDerWaalsContact C-N 3.29Å; G206-W208 VanDerWaalsContact O-CD1 3.24Å; G206-W208 PolarHBondContact O-N 3.18Å; G206-T251 PolarHBondContact O-OG1 3.31Å
207	F	95.8	Very high	96.6	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	95.9	171.5	-64.5	-99.1	0	0	0	106.7	D36 L37 S132 G133 G135 A252 Y254 P298	D36-F207 HydrophobicContact CB-CE1 4.36Å; D36-F207 HydrophobicContact CB-CZ 3.73Å; L37-F207 HydrophobicContact CB-CE2 4.45Å; L37-F207 HydrophobicContact CB-CZ 4.35Å; L37-F207 HydrophobicContact CD1-CD1 3.87Å; L37-F207 HydrophobicContact CD1-CD2 4.02Å; L37-F207 HydrophobicContact CD1-CE1 3.98Å; L37-F207 HydrophobicContact CD1-CE2 4.17Å; L37-F207 HydrophobicContact CD1-CG 3.91Å; L37-F207 HydrophobicContact CD1-CZ 4.14Å; L37-F207 HydrophobicContact CD2-CD2 3.78Å; L37-F207 HydrophobicContact CD2-CE2 3.85Å; L37-F207 HydrophobicContact CD2-CG 4.44Å; L37-F207 HydrophobicContact CD2-CZ 4.49Å; L37-F207 HydrophobicContact CG-CD1 4.22Å; L37-F207 HydrophobicContact CG-CD2 3.67Å; L37-F207 HydrophobicContact CG-CE1 3.98Å; L37-F207 HydrophobicContact CG-CE2 3.46Å; L37-F207 VanDerWaalsContact CG-CE2 3.46Å; L37-F207 HydrophobicContact CG-CG 4.08Å; L37-F207 HydrophobicContact CG-CZ 3.62Å; S132-F207 WeakPolarHBondContact O-CE2 3.37Å; G133-F207 PolarHBondContact O-N 3.43Å; G135-F207 CarbonylContact C-O 3.54Å; G135-F207 WeakPolarHBondContact CA-O 3.41Å; G135-F207 PolarHBondContact N-O 2.62Å; F207-A252 HydrophobicContact CB-CB 3.81Å; F207-A252 HydrophobicContact CD1-CB 4.37Å; F207-Y254 WeakPolarHBondContact CB-OH 3.47Å; F207-Y254 PolarHBondContact O-OH 3.42Å; F207-P298 HydrophobicContact CD1-CB 4.49Å; F207-P298 HydrophobicContact CD1-CG 3.68Å; F207-P298 HydrophobicContact CE1-CG 3.91Å
208	W	97.8	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.8	-169.8	-68.3	109.5	0	0	0	111.6	F84 L123 L127 F131 G135 L196 V199 V200 R203 G206 T251 A252	F84-W208 HydrophobicContact CD2-CZ3 4.22Å; F84-W208 AromaticContact CE2-CH2 3.84Å; F84-W208 HydrophobicContact CE2-CH2 3.84Å; F84-W208 AromaticContact CE2-CZ3 3.72Å; F84-W208 HydrophobicContact CE2-CZ3 3.72Å; L123-W208 HydrophobicContact CD2-CH2 3.9Å; L123-W208 HydrophobicContact CD2-CZ2 4.38Å; L127-W208 HydrophobicContact CD1-CH2 3.56Å; L127-W208 HydrophobicContact CD1-CZ2 3.81Å; F131-W208 AromaticContact CD1-CZ2 3.99Å; F131-W208 HydrophobicContact CD1-CZ2 3.99Å; F131-W208 HydrophobicContact CE1-CH2 4.4Å; F131-W208 AromaticContact CE1-CZ2 3.88Å; F131-W208 HydrophobicContact CE1-CZ2 3.88Å; G135-W208 WeakPolarHBondContact O-CA 3.22Å; L196-W208 HydrophobicContact CD2-CB 4.32Å; V199-W208 HydrophobicContact CB-CD2 3.86Å; V199-W208 HydrophobicContact CB-CE3 3.94Å; V199-W208 HydrophobicContact CB-CG 4.43Å; V199-W208 HydrophobicContact CB-CH2 4.14Å; V199-W208 HydrophobicContact CB-CZ2 4.09Å; V199-W208 HydrophobicContact CB-CZ3 4.07Å; V199-W208 HydrophobicContact CG1-CZ3 4.31Å; V199-W208 HydrophobicContact CG2-CB 4.08Å; V199-W208 HydrophobicContact CG2-CD2 3.54Å; V199-W208 HydrophobicContact CG2-CE3 3.65Å; V199-W208 HydrophobicContact CG2-CG 3.74Å; V199-W208 HydrophobicContact CG2-CZ3 4.25Å; V199-W208 PolarHBondContact O-NE1 2.99Å; V200-W208 HydrophobicContact CG2-CB 3.87Å; V200-W208 HydrophobicContact CG2-CG 4.1Å; R203-W208 HydrophobicContact CB-CZ2 3.82Å; R203-W208 HydrophobicContact CG-CZ2 4.17Å; R203-W208 PolarHBondContact O-NE1 3.36Å; G206-W208 VanDerWaalsContact O-CD1 3.24Å; G206-W208 PolarHBondContact O-N 3.18Å; W208-T251 PolarHBondContact N-OG1 3.26Å; W208-T251 PolarHBondContact O-N 3.37Å; W208-A252 PolarHBondContact O-N 3.44Å
209	G	98.3	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	168	177.1	0	0	0	0	0	112.1	G135 I137	G135-G209 PolarHBondContact O-N 3.41Å; I137-G209 PolarHBondContact N-O 2.79Å
210	F	98.8	Very high	94.6	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.6	175.8	-75.2	-88.6	0	0	0	111.7	I137 W139 M192 L196 F213 L246	I137-F210 HydrophobicContact CB-CD1 3.71Å; I137-F210 HydrophobicContact CB-CE1 3.69Å; I137-F210 HydrophobicContact CB-CG 4.35Å; I137-F210 HydrophobicContact CB-CZ 4.34Å; I137-F210 HydrophobicContact CD1-CE1 4.3Å; I137-F210 HydrophobicContact CD1-CE2 4.48Å; I137-F210 HydrophobicContact CD1-CZ 4.1Å; I137-F210 HydrophobicContact CG2-CD1 3.77Å; I137-F210 HydrophobicContact CG2-CE1 3.35Å; I137-F210 HydrophobicContact CG2-CZ 4.15Å; I137-F210 CarbonylContact O-C 3.45Å; I137-F210 VanDerWaalsContact O-CA 3.3Å; I137-F210 WeakPolarHBondContact O-CA 3.12Å; W139-F210 HydrophobicContact CB-CD1 4.35Å; W139-F210 HydrophobicContact CB-CE1 4.2Å; W139-F210 AromaticContact CD2-CE1 3.85Å; W139-F210 HydrophobicContact CD2-CE1 3.85Å; W139-F210 AromaticContact CE3-CE1 3.53Å; W139-F210 HydrophobicContact CE3-CE1 3.53Å; W139-F210 AromaticContact CE3-CZ 4Å; W139-F210 HydrophobicContact CE3-CZ 4Å; W139-F210 HydrophobicContact CG-CE1 4.16Å; W139-F210 HydrophobicContact CZ3-CE1 4.11Å; W139-F210 HydrophobicContact CZ3-CZ 4.14Å; M192-F210 HydrophobicContact CB-CE2 3.91Å; M192-F210 HydrophobicContact CB-CZ 3.87Å; M192-F210 HydrophobicContact CE-CB 4.41Å; M192-F210 HydrophobicContact CE-CD1 3.82Å; M192-F210 HydrophobicContact CE-CD2 3.62Å; M192-F210 HydrophobicContact CE-CE1 3.88Å; M192-F210 HydrophobicContact CE-CE2 3.64Å; M192-F210 HydrophobicContact CE-CG 3.68Å; M192-F210 HydrophobicContact CE-CZ 3.8Å; M192-F210 HydrophobicContact CG-CE1 4.37Å; M192-F210 HydrophobicContact CG-CE2 4.25Å; M192-F210 HydrophobicContact CG-CZ 3.87Å; L196-F210 HydrophobicContact CD1-CD2 3.77Å; L196-F210 HydrophobicContact CD1-CE2 3.57Å; L196-F210 HydrophobicContact CD2-CD2 4.34Å; L196-F210 HydrophobicContact CD2-CE2 4.19Å; L196-F210 HydrophobicContact CG-CD2 4.06Å; L196-F210 HydrophobicContact CG-CE2 3.55Å; L196-F210 HydrophobicContact CG-CZ 4.47Å; F210-F213 HydrophobicContact CB-CD2 3.71Å; F210-F213 HydrophobicContact CB-CE2 4.28Å; F210-F213 HydrophobicContact CB-CG 4.49Å; F210-L246 HydrophobicContact CD2-CD1 3.68Å; F210-L246 HydrophobicContact CE2-CD1 3.8Å
211	Y	98.8	Very high	93.8	Very high	23 Å²	23	44.5 Å²	44.5	9%	0.09	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-58.3	140.4	169	166.3	-98.7	0	0	0	110.9	I137 D138 E140 F213 S256 Y258 Y302	I137-Y211 PolarHBondContact O-N 2.82Å; D138-Y211 WeakPolarHBondContact OD1-CD1 3.18Å; E140-Y211 HydrophobicContact CG-CD1 4.11Å; E140-Y211 HydrophobicContact CG-CE1 4.21Å; E140-Y211 WeakPolarHBondContact OE2-CE1 3.04Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 WeakPolarHBondContact O-CD2 3.42Å; Y211-F213 PolarHBondContact O-N 2.74Å; Y211-S256 PolarHBondContact OH-OG 2.96Å; Y211-Y258 WeakPolarHBondContact OH-CE2 3.17Å; Y211-Y302 AromaticContact CD2-CD1 3.77Å; Y211-Y302 HydrophobicContact CD2-CD1 3.77Å; Y211-Y302 AromaticContact CD2-CD2 3.88Å; Y211-Y302 HydrophobicContact CD2-CD2 3.88Å; Y211-Y302 HydrophobicContact CD2-CE1 4.15Å; Y211-Y302 HydrophobicContact CD2-CE2 4.25Å; Y211-Y302 AromaticContact CD2-CG 3.61Å; Y211-Y302 HydrophobicContact CD2-CG 3.61Å; Y211-Y302 AromaticContact CE2-CD1 3.76Å; Y211-Y302 HydrophobicContact CE2-CD1 3.76Å; Y211-Y302 HydrophobicContact CE2-CD2 4.42Å; Y211-Y302 HydrophobicContact CE2-CE1 4.49Å; Y211-Y302 AromaticContact CE2-CG 3.71Å; Y211-Y302 HydrophobicContact CE2-CG 3.71Å
212	G	97.9	Very high	92.6	Very high	14 Å²	14	40.9 Å²	40.9	14%	0.144	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-3.7	175.1	0	0	0	0	0	115	P214 S215 Y254	G212-P214 CarbonylContact O-C 3.24Å; G212-S215 PolarHBondContact O-OG 2.74Å; G212-Y254 WeakPolarHBondContact CA-O 3.03Å; G212-Y254 PolarHBondContact N-O 2.96Å
213	F	98.4	Very high	91.4	Very high	16 Å²	16	47.7 Å²	47.7	7%	0.07	24%	0.239	C	C	.	.			trans	-107.9	140.3	-179.4	-70.4	-94.6	0	0	0	113.4	L143 P144 M192 F210 Y211 L243 L246 W247 Y254	L143-F213 HydrophobicContact CD2-CE2 4.4Å; L143-F213 HydrophobicContact CD2-CZ 3.79Å; P144-F213 HydrophobicContact CG-CE1 4.16Å; P144-F213 HydrophobicContact CG-CZ 4.21Å; M192-F213 HydrophobicContact CE-CE2 4.25Å; M192-F213 HydrophobicContact CE-CZ 4.3Å; F210-F213 HydrophobicContact CB-CD2 3.71Å; F210-F213 HydrophobicContact CB-CE2 4.28Å; F210-F213 HydrophobicContact CB-CG 4.49Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 WeakPolarHBondContact O-CD2 3.42Å; Y211-F213 PolarHBondContact O-N 2.74Å; F213-L243 HydrophobicContact CD1-CD1 4.22Å; F213-L243 HydrophobicContact CE1-CD1 4.03Å; F213-L246 HydrophobicContact CB-CD2 4.48Å; F213-L246 HydrophobicContact CD1-CD2 3.9Å; F213-L246 HydrophobicContact CE1-CD2 4.29Å; F213-L246 HydrophobicContact CG-CD2 4.14Å; F213-W247 HydrophobicContact CB-CH2 4.01Å; F213-W247 HydrophobicContact CB-CZ3 3.84Å; F213-W247 AromaticContact CD1-CH2 3.95Å; F213-W247 HydrophobicContact CD1-CH2 3.95Å; F213-W247 HydrophobicContact CD1-CZ3 4.43Å; F213-W247 HydrophobicContact CG-CH2 4.45Å; F213-Y254 CarbonylContact O-C 3.57Å; F213-Y254 PolarHBondContact O-N 2.92Å
214	P	98.1	Very high	90.2	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.032	28%	0.28	C	S	.	.	S	Bend	cis	-74.5	157	-8.2	30.4	-33.6	0	0	0	112.4	G212 W247 E279 A280 V283	G212-P214 CarbonylContact O-C 3.24Å; P214-W247 HydrophobicContact CB-CH2 3.84Å; P214-W247 HydrophobicContact CB-CZ2 4.21Å; P214-E279 HydrophobicContact CG-CG 4.46Å; P214-A280 VanDerWaalsContact CG-CA 3.49Å; P214-A280 HydrophobicContact CG-CB 3.87Å; P214-V283 HydrophobicContact CB-CG2 4.22Å; P214-V283 HydrophobicContact CG-CB 4.25Å; P214-V283 HydrophobicContact CG-CG2 4.06Å
215	S	95.2	Very high	89.4	Confident	31 Å²	31	56.4 Å²	56.4	22%	0.217	26%	0.263	C	S	.	.			trans	-91.4	156	175.5	-84.7	0	0	0	0	112.1	G212 T236 N240	G212-S215 PolarHBondContact O-OG 2.74Å; S215-T236 WeakPolarHBondContact O-CG2 3.41Å; S215-N240 PolarHBondContact O-ND2 3.34Å
216	C	96.6	Very high	88.8	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.027	28%	0.284	C	S	.	.			trans	-126.2	-18.6	179.1	-176.6	0	0	0	0	113.1	N218 C232 H233 R276	C216-N218 PolarHBondContact O-N 2.96Å; C216-N218 VanDerWaalsContact O-N 3.13Å; C216-N218 VanDerWaalsContact SG-CG 3.6Å; C216-C232 HydrophobicContact CB-CB 3.98Å; C216-C232 WeakPolarHBondContact CB-SG 3.36Å; C216-C232 CarbonylContact O-C 3.59Å; C216-C232 WeakPolarHBondContact O-CA 3.27Å; C216-C232 VanDerWaalsContact O-CB 3.27Å; C216-C232 WeakPolarHBondContact O-CB 3.46Å; C216-C232 WeakPolarHBondContact SG-CA 3.39Å; C216-C232 WeakPolarHBondContact SG-CB 3.5Å; C216-C232 CovalentContact SG-SG 2.04Å; C216-C232 PolarHBondContact SG-SG 3.33Å; C216-H233 PolarHBondContact O-N 3.3Å; C216-R276 HydrophobicContact CB-CB 4.41Å; C216-R276 HydrophobicContact CB-CG 3.77Å
217	Y	92.4	Very high	88.5	Confident	78 Å²	78	68.4 Å²	68.4	31%	0.306	31%	0.311	S	S	.	.			trans	48.4	39.1	178	-56.6	-72.1	0	0	0	115.2	F150 T236	F150-Y217 HydrophobicContact CE1-CE1 4.47Å; Y217-T236 HydrophobicContact CD2-CG2 4.05Å
218	N	93.8	Very high	88.3	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	31%	0.312	C	S	.	.			trans	-102.8	19.3	-172.9	66	-16.7	0	0	0	114.2	C216 N220 Y228 G230 R231 M272 R276	C216-N218 PolarHBondContact O-N 2.96Å; C216-N218 VanDerWaalsContact O-N 3.13Å; C216-N218 VanDerWaalsContact SG-CG 3.6Å; N218-N220 PolarHBondContact O-N 3.39Å; N218-Y228 WeakPolarHBondContact O-CE2 3.14Å; N218-Y228 PolarHBondContact O-OH 2.84Å; N218-G230 VanDerWaalsContact CB-O 3.29Å; N218-G230 WeakPolarHBondContact CB-O 3.4Å; N218-G230 PolarHBondContact ND2-O 3.09Å; N218-R231 WeakPolarHBondContact CB-O 3.44Å; N218-M272 PolarHBondContact ND2-O 2.96Å; N218-R276 PolarHBondContact OD1-NE 3.07Å
219	K	81.4	Confident	88	Confident	122 Å²	122	71.1 Å²	71.1	53%	0.53	33%	0.327	S	S	.	.	S	Bend	trans	-60.1	-44.4	-173.5	-71.5	-180	-179.1	178.3	0	112.2	R262	K219-R262 PolarHBondContact O-NH2 2.82Å
220	N	78.4	Confident	87.8	Confident	114 Å²	114	71.2 Å²	71.2	61%	0.61	33%	0.328	S	S	*	.	S	Bend	trans	-109.5	148.8	-171.6	-60.5	-24.9	0	0	0	111.6	N218 R262	N218-N220 PolarHBondContact O-N 3.39Å; N220-R262 PolarHBondContact OD1-NH2 3.44Å
221	K	78.1	Confident	87.6	Confident	108 Å²	108	79 Å²	79	47%	0.47	36%	0.357	S	S	.	.			trans	-60.7	133.9	165.3	-176.9	179	170.7	-173.9	0	109	D225 K226 Y228	K221-D225 WeakPolarHBondContact CE-O 3.34Å; K221-D225 HydrophobicContact CG-CB 4.06Å; K221-D225 PolarHBondContact NZ-O 3.16Å; K221-K226 VanDerWaalsContact CE-C 3.49Å; K221-K226 WeakPolarHBondContact CE-O 3.24Å; K221-K226 VanDerWaalsContact NZ-C 3.35Å; K221-K226 PolarHBondContact NZ-O 3.05Å; K221-Y228 HydrophobicContact CB-CD2 4.04Å
222	R	72.4	Confident	87.5	Confident	91 Å²	91	78.8 Å²	78.8	34%	0.343	36%	0.359	S	S	.	.			trans	-70.4	146.8	177.5	-53	174.8	-178.2	-178.1	3.1	108.4	R224 D225 C232 S234	R222-R224 PolarHBondContact O-N 3.18Å; R222-D225 HydrophobicContact CB-CB 4.41Å; R222-D225 VanDerWaalsContact CB-OD2 3.31Å; R222-D225 WeakPolarHBondContact CB-OD2 3.26Å; R222-D225 WeakPolarHBondContact CD-OD2 3.41Å; R222-D225 WeakPolarHBondContact CG-OD2 3.48Å; R222-D225 PolarHBondContact N-OD2 3.3Å; R222-D225 PolarHBondContact O-N 3.43Å; R222-C232 PolarHBondContact NH2-O 2.79Å; R222-S234 VanDerWaalsContact NH2-N 3.1Å
223	K	69.9	Low	87.3	Confident	223 Å²	223	82.9 Å²	82.9	97%	0.97	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30	-179.6	-68.4	-174.1	177	-176.3	0	113.4
224	R	72.4	Confident	86.9	Confident	238 Å²	238	86.2 Å²	86.2	90%	0.898	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.6	-178.6	-61.8	-177.1	-179.9	177.6	-0.7	114.1	R222	R222-R224 PolarHBondContact O-N 3.18Å
225	D	75.7	Confident	86.7	Confident	48 Å²	48	87.1 Å²	87.1	26%	0.257	41%	0.409	S	S	.	.			trans	-78.7	134.7	-176.5	-64.7	-13.7	0	0	0	109.4	K221 R222 T227	K221-D225 WeakPolarHBondContact CE-O 3.34Å; K221-D225 HydrophobicContact CG-CB 4.06Å; K221-D225 PolarHBondContact NZ-O 3.16Å; R222-D225 HydrophobicContact CB-CB 4.41Å; R222-D225 VanDerWaalsContact CB-OD2 3.31Å; R222-D225 WeakPolarHBondContact CB-OD2 3.26Å; R222-D225 WeakPolarHBondContact CD-OD2 3.41Å; R222-D225 WeakPolarHBondContact CG-OD2 3.48Å; R222-D225 PolarHBondContact N-OD2 3.3Å; R222-D225 PolarHBondContact O-N 3.43Å; D225-T227 WeakPolarHBondContact CB-O 3.38Å
226	K	80.4	Confident	86.7	Confident	196 Å²	196	85.8 Å²	85.8	85%	0.852	40%	0.4	S	S	*	.	S	Bend	trans	-74.4	-31.6	170.9	-68.9	-173.3	-179.8	-177.3	0	111.9	K221	K221-K226 VanDerWaalsContact CE-C 3.49Å; K221-K226 WeakPolarHBondContact CE-O 3.24Å; K221-K226 VanDerWaalsContact NZ-C 3.35Å; K221-K226 PolarHBondContact NZ-O 3.05Å
227	T	86.9	Confident	86.7	Confident	96 Å²	96	90.7 Å²	90.7	59%	0.589	42%	0.421	S	S	*	.	S	Bend	trans	-135.5	150.8	179.8	53.5	0	0	0	0	110.8	D225	D225-T227 WeakPolarHBondContact CB-O 3.38Å
228	Y	91.6	Very high	86.9	Confident	27 Å²	27	92.6 Å²	92.6	11%	0.106	43%	0.432	C	S	.	.			trans	-75.7	127.8	174.8	-179.9	-108.4	0	0	0	109.8	N218 K221 D268 L271 M272	N218-Y228 WeakPolarHBondContact O-CE2 3.14Å; N218-Y228 PolarHBondContact O-OH 2.84Å; K221-Y228 HydrophobicContact CB-CD2 4.04Å; Y228-D268 HydrophobicContact CD1-CB 3.73Å; Y228-D268 HydrophobicContact CE1-CB 4.09Å; Y228-L271 HydrophobicContact CE1-CB 4.29Å; Y228-M272 HydrophobicContact CE1-CB 4.2Å; Y228-M272 WeakPolarHBondContact OH-CB 3.46Å; Y228-M272 WeakPolarHBondContact OH-CG 3.46Å
229	T	92.2	Very high	87.1	Confident	51 Å²	51	94.5 Å²	94.5	31%	0.313	44%	0.44	S	S	.	.			trans	-107.3	-10.9	-177.1	62.8	0	0	0	0	113.3	R231 H275	T229-R231 PolarHBondContact O-N 3.29Å; T229-R231 VanDerWaalsContact O-N 3.15Å; T229-R231 PolarHBondContact OG1-N 3.02Å; T229-H275 PolarHBondContact O-CE1 2.69Å; T229-H275 PolarHBondContact O-ND1 2.93Å
230	G	94.4	Very high	87.9	Confident	1 Å²	1	89 Å²	89	1%	0.01	42%	0.417	C	S	.	.			trans	70.9	-8.8	-170.7	0	0	0	0	0	115.3	N218 H275	N218-G230 VanDerWaalsContact CB-O 3.29Å; N218-G230 WeakPolarHBondContact CB-O 3.4Å; N218-G230 PolarHBondContact ND2-O 3.09Å; G230-H275 WeakPolarHBondContact O-CB 3.42Å; G230-H275 VanDerWaalsContact O-CG 3.3Å
231	R	94.9	Very high	88.8	Confident	170 Å²	170	86.2 Å²	86.2	64%	0.642	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-58.1	143.8	-176.2	-69.9	177.8	177.9	-175.3	0.9	112.2	N218 T229 H275	N218-R231 WeakPolarHBondContact CB-O 3.44Å; T229-R231 PolarHBondContact O-N 3.29Å; T229-R231 VanDerWaalsContact O-N 3.15Å; T229-R231 PolarHBondContact OG1-N 3.02Å; R231-H275 WeakPolarHBondContact CG-NE2 3.49Å
232	C	95.7	Very high	89.7	Confident	18 Å²	18	86.1 Å²	86.1	12%	0.122	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-55.9	149.3	174.9	-55.5	0	0	0	0	111.6	C216 R222 T236	C216-C232 HydrophobicContact CB-CB 3.98Å; C216-C232 WeakPolarHBondContact CB-SG 3.36Å; C216-C232 CarbonylContact O-C 3.59Å; C216-C232 WeakPolarHBondContact O-CA 3.27Å; C216-C232 VanDerWaalsContact O-CB 3.27Å; C216-C232 WeakPolarHBondContact O-CB 3.46Å; C216-C232 WeakPolarHBondContact SG-CA 3.39Å; C216-C232 WeakPolarHBondContact SG-CB 3.5Å; C216-C232 CovalentContact SG-SG 2.04Å; C216-C232 PolarHBondContact SG-SG 3.33Å; R222-C232 PolarHBondContact NH2-O 2.79Å; C232-T236 HydrophobicContact CB-CG2 4.37Å
233	H	93.3	Very high	90.9	Very high	99 Å²	99	81.9 Å²	81.9	46%	0.458	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-56.8	148.5	178.5	-169.7	-84.7	0	0	0	111	C216 T236	C216-H233 PolarHBondContact O-N 3.3Å; H233-T236 WeakPolarHBondContact O-CB 3.38Å; H233-T236 PolarHBondContact O-N 2.94Å; H233-T236 VanDerWaalsContact O-N 3.07Å; H233-T236 PolarHBondContact O-OG1 3.23Å
234	S	90.9	Very high	92.2	Very high	87 Å²	87	73.4 Å²	73.4	61%	0.608	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	142.3	177.8	-162.8	0	0	0	0	110.7	R222 T236	R222-S234 VanDerWaalsContact NH2-N 3.1Å; S234-T236 PolarHBondContact O-N 3.19Å
235	G	93.8	Very high	93.3	Very high	24 Å²	24	63.1 Å²	63.1	25%	0.247	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-16	-175.2	0	0	0	0	0	114.8	K237 Q238 K239	G235-K237 VanDerWaalsContact C-N 3.32Å; G235-K237 PolarHBondContact O-N 3.06Å; G235-Q238 VanDerWaalsContact C-OE1 3.27Å; G235-Q238 PolarHBondContact O-N 3.48Å; G235-Q238 PolarHBondContact O-OE1 2.91Å; G235-K239 VanDerWaalsContact O-CG 3.3Å; G235-K239 WeakPolarHBondContact O-CG 3.48Å; G235-K239 PolarHBondContact O-N 3.18Å
236	T	95.6	Very high	94.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-39.5	-173.4	-55.5	0	0	0	0	112.6	S215 Y217 C232 H233 S234 K239 N240	S215-T236 WeakPolarHBondContact O-CG2 3.41Å; Y217-T236 HydrophobicContact CD2-CG2 4.05Å; C232-T236 HydrophobicContact CB-CG2 4.37Å; H233-T236 WeakPolarHBondContact O-CB 3.38Å; H233-T236 PolarHBondContact O-N 2.94Å; H233-T236 VanDerWaalsContact O-N 3.07Å; H233-T236 PolarHBondContact O-OG1 3.23Å; S234-T236 PolarHBondContact O-N 3.19Å; T236-K239 PolarHBondContact O-N 2.86Å; T236-N240 PolarHBondContact O-N 2.81Å; T236-N240 PolarHBondContact O-ND2 3.43Å
237	K	96.1	Very high	95	Very high	107 Å²	107	51.6 Å²	51.6	47%	0.465	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-49.8	177.6	-67.7	-167.8	171.9	-178.8	0	110.9	G235 K239 N240 D241 E279 R282	G235-K237 VanDerWaalsContact C-N 3.32Å; G235-K237 PolarHBondContact O-N 3.06Å; K237-K239 VanDerWaalsContact C-N 3.28Å; K237-K239 PolarHBondContact O-N 2.83Å; K237-N240 CarbonylContact O-C 3.24Å; K237-N240 WeakPolarHBondContact O-CA 3.46Å; K237-N240 WeakPolarHBondContact O-CB 3.49Å; K237-N240 PolarHBondContact O-N 3.16Å; K237-D241 PolarHBondContact O-N 3.02Å; K237-E279 WeakPolarHBondContact CG-OE2 3.2Å; K237-R282 PolarHBondContact O-NH2 2.83Å
238	Q	97.1	Very high	95.3	Very high	118 Å²	118	48.6 Å²	48.6	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-59.6	-39.2	177.8	-64.7	83.6	-0.5	0	0	112.1	G235 D241 R242	G235-Q238 VanDerWaalsContact C-OE1 3.27Å; G235-Q238 PolarHBondContact O-N 3.48Å; G235-Q238 PolarHBondContact O-OE1 2.91Å; Q238-D241 WeakPolarHBondContact O-CB 3.33Å; Q238-D241 PolarHBondContact O-N 2.91Å; Q238-R242 WeakPolarHBondContact O-CG 3.46Å; Q238-R242 PolarHBondContact O-N 2.84Å
239	K	97.1	Very high	95.4	Very high	43 Å²	43	49 Å²	49	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-44.2	173.9	-69.6	-177.7	-169.2	-153.7	0	112.1	L145 E147 N148 G235 T236 K237 D241 R242 L243	L145-K239 HydrophobicContact CD1-CB 3.77Å; L145-K239 HydrophobicContact CD1-CG 4.21Å; L145-K239 WeakPolarHBondContact CD1-O 3.25Å; E147-K239 HydrophobicContact CG-CD 4.47Å; E147-K239 WeakPolarHBondContact OE1-CD 3.47Å; E147-K239 WeakPolarHBondContact OE1-CE 3.21Å; E147-K239 VanDerWaalsContact OE1-CG 3.28Å; E147-K239 WeakPolarHBondContact OE1-CG 3.46Å; E147-K239 IonicContact OE1-NZ 3.79Å; E147-K239 PolarHBondContact OE1-NZ 2.84Å; E147-K239 WeakPolarHBondContact OE2-CE 3.43Å; E147-K239 IonicContact OE2-NZ 2.81Å; E147-K239 PolarHBondContact OE2-NZ 2.88Å; N148-K239 WeakPolarHBondContact OD1-CD 3.43Å; N148-K239 PolarHBondContact OD1-NZ 3.49Å; N148-K239 VanDerWaalsContact OD1-NZ 3.14Å; G235-K239 VanDerWaalsContact O-CG 3.3Å; G235-K239 WeakPolarHBondContact O-CG 3.48Å; G235-K239 PolarHBondContact O-N 3.18Å; T236-K239 PolarHBondContact O-N 2.86Å; K237-K239 VanDerWaalsContact C-N 3.28Å; K237-K239 PolarHBondContact O-N 2.83Å; K239-D241 VanDerWaalsContact C-N 3.26Å; K239-D241 PolarHBondContact O-N 3.46Å; K239-R242 WeakPolarHBondContact O-CB 3.31Å; K239-R242 PolarHBondContact O-N 3.14Å; K239-L243 PolarHBondContact O-N 3.48Å
240	N	98.1	Very high	95.6	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.032	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-35.2	174.1	-69.1	-27.6	0	0	0	110.8	S215 T236 K237 R242 L243 W247 E279 V283	S215-N240 PolarHBondContact O-ND2 3.34Å; T236-N240 PolarHBondContact O-N 2.81Å; T236-N240 PolarHBondContact O-ND2 3.43Å; K237-N240 CarbonylContact O-C 3.24Å; K237-N240 WeakPolarHBondContact O-CA 3.46Å; K237-N240 WeakPolarHBondContact O-CB 3.49Å; K237-N240 PolarHBondContact O-N 3.16Å; N240-R242 VanDerWaalsContact C-N 3.33Å; N240-R242 PolarHBondContact O-N 3.05Å; N240-L243 WeakPolarHBondContact O-CB 3.18Å; N240-L243 PolarHBondContact O-N 3.21Å; N240-W247 HydrophobicContact CB-CZ2 4.16Å; N240-W247 PolarHBondContact O-NE1 2.78Å; N240-E279 WeakPolarHBondContact ND2-CG 3.19Å; N240-E279 PolarHBondContact ND2-OE1 3.02Å; N240-V283 HydrophobicContact CB-CG2 4.2Å
241	D	97.5	Very high	95.6	Very high	56 Å²	56	47.8 Å²	47.8	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-36.2	176.8	-55.1	-15.4	0	0	0	111.9	K237 Q238 K239 L243 S244 R282 W287	K237-D241 PolarHBondContact O-N 3.02Å; Q238-D241 WeakPolarHBondContact O-CB 3.33Å; Q238-D241 PolarHBondContact O-N 2.91Å; K239-D241 VanDerWaalsContact C-N 3.26Å; K239-D241 PolarHBondContact O-N 3.46Å; D241-L243 PolarHBondContact O-N 3.05Å; D241-S244 WeakPolarHBondContact O-CB 3.5Å; D241-S244 PolarHBondContact O-N 2.88Å; D241-S244 VanDerWaalsContact O-N 3.16Å; D241-R282 IonicContact OD1-CZ 3.57Å; D241-R282 IonicContact OD1-NH1 3.32Å; D241-R282 PolarHBondContact OD1-NH1 2.8Å; D241-R282 IonicContact OD1-NH2 2.6Å; D241-R282 PolarHBondContact OD1-NH2 3.26Å; D241-R282 IonicContact OD2-NH1 3.58Å; D241-W287 HydrophobicContact CB-CH2 3.85Å; D241-W287 HydrophobicContact CB-CZ2 3.96Å; D241-W287 WeakPolarHBondContact OD1-CH2 3.18Å
242	R	97.6	Very high	95.7	Very high	106 Å²	106	39.7 Å²	39.7	40%	0.4	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-18.7	172.5	-70.1	173.7	63.7	-153.6	-3.5	113.8	E147 E185 Q238 K239 N240 S244 W245	E147-R242 IonicContact OE1-NH1 3.32Å; E147-R242 PolarHBondContact OE1-NH1 2.75Å; E185-R242 IonicContact OE1-NH2 3.99Å; E185-R242 PolarHBondContact OE1-NH2 3.04Å; E185-R242 IonicContact OE2-NH2 2.73Å; E185-R242 PolarHBondContact OE2-NH2 2.8Å; Q238-R242 WeakPolarHBondContact O-CG 3.46Å; Q238-R242 PolarHBondContact O-N 2.84Å; K239-R242 WeakPolarHBondContact O-CB 3.31Å; K239-R242 PolarHBondContact O-N 3.14Å; N240-R242 VanDerWaalsContact C-N 3.33Å; N240-R242 PolarHBondContact O-N 3.05Å; R242-S244 VanDerWaalsContact C-N 3.28Å; R242-W245 PolarHBondContact O-NE1 3.41Å
243	L	97.9	Very high	95.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	21.5	176.5	-63.8	176.5	0	0	0	112.4	P144 L145 F213 K239 N240 D241 W245 L246 W247	P144-L243 HydrophobicContact CB-CD2 4.17Å; P144-L243 HydrophobicContact CG-CD1 4.34Å; P144-L243 HydrophobicContact CG-CD2 3.75Å; L145-L243 HydrophobicContact CD1-CD1 4.44Å; L145-L243 HydrophobicContact CD1-CD2 4.43Å; L145-L243 HydrophobicContact CD1-CG 4.22Å; L145-L243 HydrophobicContact CD2-CD2 3.78Å; L145-L243 HydrophobicContact CD2-CG 4.38Å; L145-L243 HydrophobicContact CG-CD2 3.91Å; L145-L243 HydrophobicContact CG-CG 4.23Å; F213-L243 HydrophobicContact CD1-CD1 4.22Å; F213-L243 HydrophobicContact CE1-CD1 4.03Å; K239-L243 PolarHBondContact O-N 3.48Å; N240-L243 WeakPolarHBondContact O-CB 3.18Å; N240-L243 PolarHBondContact O-N 3.21Å; D241-L243 PolarHBondContact O-N 3.05Å; L243-W245 HydrophobicContact CD2-CH2 4.5Å; L243-W245 HydrophobicContact CD2-CZ2 3.54Å; L243-W245 PolarHBondContact O-N 2.82Å; L243-W245 VanDerWaalsContact O-N 3.09Å; L243-L246 HydrophobicContact CB-CB 4.33Å; L243-L246 WeakPolarHBondContact O-CA 3.3Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.28Å; L243-L246 PolarHBondContact O-N 3.17Å; L243-W247 VanDerWaalsContact C-NE1 3.34Å; L243-W247 HydrophobicContact CB-CH2 4.2Å; L243-W247 HydrophobicContact CB-CZ2 3.46Å; L243-W247 VanDerWaalsContact CB-CZ2 3.46Å; L243-W247 HydrophobicContact CD1-CH2 4.18Å; L243-W247 HydrophobicContact CD1-CZ2 3.99Å; L243-W247 HydrophobicContact CG-CZ2 4.36Å; L243-W247 VanDerWaalsContact O-CD1 3.28Å; L243-W247 PolarHBondContact O-N 3.04Å; L243-W247 PolarHBondContact O-NE1 3.25Å
244	S	96.3	Very high	96	Very high	46 Å²	46	34.3 Å²	34.3	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-47.1	-38.5	176.4	58.7	0	0	0	0	114	D241 R242 L246 W247 A248	D241-S244 WeakPolarHBondContact O-CB 3.5Å; D241-S244 PolarHBondContact O-N 2.88Å; D241-S244 VanDerWaalsContact O-N 3.16Å; R242-S244 VanDerWaalsContact C-N 3.28Å; S244-L246 VanDerWaalsContact C-N 3.29Å; S244-L246 PolarHBondContact O-N 3.5Å; S244-W247 VanDerWaalsContact CA-CD1 3.47Å; S244-W247 PolarHBondContact O-N 3.44Å; S244-A248 WeakPolarHBondContact O-CB 3.37Å; S244-A248 PolarHBondContact O-N 3.16Å
245	W	96.1	Very high	96.4	Very high	22 Å²	22	30.2 Å²	30.2	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-35.2	175.8	59.2	-98	0	0	0	113	P144 R189 M192 E193 R242 L243 Q249	P144-W245 HydrophobicContact CB-CH2 4Å; P144-W245 HydrophobicContact CB-CZ2 3.84Å; P144-W245 HydrophobicContact CG-CH2 4.46Å; P144-W245 HydrophobicContact CG-CZ2 4.37Å; R189-W245 HydrophobicContact CB-CD2 4.4Å; R189-W245 HydrophobicContact CB-CH2 4.13Å; R189-W245 HydrophobicContact CB-CZ2 3.9Å; R189-W245 HydrophobicContact CB-CZ3 4.46Å; R189-W245 HydrophobicContact CG-CD2 3.65Å; R189-W245 HydrophobicContact CG-CE3 3.82Å; R189-W245 HydrophobicContact CG-CG 4.13Å; R189-W245 HydrophobicContact CG-CH2 4.25Å; R189-W245 HydrophobicContact CG-CZ2 4.06Å; R189-W245 HydrophobicContact CG-CZ3 4.12Å; M192-W245 HydrophobicContact CB-CH2 3.83Å; M192-W245 HydrophobicContact CB-CZ3 3.74Å; M192-W245 HydrophobicContact SD-CH2 4.16Å; E193-W245 HydrophobicContact CB-CE3 3.78Å; E193-W245 HydrophobicContact CB-CZ3 4.01Å; E193-W245 HydrophobicContact CG-CE3 4.1Å; R242-W245 PolarHBondContact O-NE1 3.41Å; L243-W245 HydrophobicContact CD2-CH2 4.5Å; L243-W245 HydrophobicContact CD2-CZ2 3.54Å; L243-W245 PolarHBondContact O-N 2.82Å; L243-W245 VanDerWaalsContact O-N 3.09Å; W245-Q249 WeakPolarHBondContact O-CG 3.39Å
246	L	97.4	Very high	96.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-71.5	-43.4	178.6	-173	65.9	0	0	0	110.6	M192 L196 F210 F213 L243 S244 Q249 S250	M192-L246 HydrophobicContact CB-CD1 4.32Å; M192-L246 HydrophobicContact CE-CD1 3.93Å; M192-L246 HydrophobicContact CE-CD2 4.14Å; L196-L246 HydrophobicContact CD1-CD1 3.57Å; L196-L246 HydrophobicContact CD1-CG 4.47Å; F210-L246 HydrophobicContact CD2-CD1 3.68Å; F210-L246 HydrophobicContact CE2-CD1 3.8Å; F213-L246 HydrophobicContact CB-CD2 4.48Å; F213-L246 HydrophobicContact CD1-CD2 3.9Å; F213-L246 HydrophobicContact CE1-CD2 4.29Å; F213-L246 HydrophobicContact CG-CD2 4.14Å; L243-L246 HydrophobicContact CB-CB 4.33Å; L243-L246 WeakPolarHBondContact O-CA 3.3Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.28Å; L243-L246 PolarHBondContact O-N 3.17Å; S244-L246 VanDerWaalsContact C-N 3.29Å; S244-L246 PolarHBondContact O-N 3.5Å; L246-Q249 PolarHBondContact O-N 3.44Å; L246-S250 PolarHBondContact O-N 3.09Å; L246-S250 PolarHBondContact O-OG 2.84Å
247	W	95.3	Very high	96.7	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-39.4	-179.9	-39.6	139.3	0	0	0	111.4	F213 P214 N240 L243 S244 Q249 S250 L253 V283 W287 I297	F213-W247 HydrophobicContact CB-CH2 4.01Å; F213-W247 HydrophobicContact CB-CZ3 3.84Å; F213-W247 AromaticContact CD1-CH2 3.95Å; F213-W247 HydrophobicContact CD1-CH2 3.95Å; F213-W247 HydrophobicContact CD1-CZ3 4.43Å; F213-W247 HydrophobicContact CG-CH2 4.45Å; P214-W247 HydrophobicContact CB-CH2 3.84Å; P214-W247 HydrophobicContact CB-CZ2 4.21Å; N240-W247 HydrophobicContact CB-CZ2 4.16Å; N240-W247 PolarHBondContact O-NE1 2.78Å; L243-W247 VanDerWaalsContact C-NE1 3.34Å; L243-W247 HydrophobicContact CB-CH2 4.2Å; L243-W247 HydrophobicContact CB-CZ2 3.46Å; L243-W247 VanDerWaalsContact CB-CZ2 3.46Å; L243-W247 HydrophobicContact CD1-CH2 4.18Å; L243-W247 HydrophobicContact CD1-CZ2 3.99Å; L243-W247 HydrophobicContact CG-CZ2 4.36Å; L243-W247 VanDerWaalsContact O-CD1 3.28Å; L243-W247 PolarHBondContact O-N 3.04Å; L243-W247 PolarHBondContact O-NE1 3.25Å; S244-W247 VanDerWaalsContact CA-CD1 3.47Å; S244-W247 PolarHBondContact O-N 3.44Å; W247-Q249 PolarHBondContact O-N 3.02Å; W247-S250 PolarHBondContact O-N 3.4Å; W247-S250 VanDerWaalsContact O-N 3.09Å; W247-L253 HydrophobicContact CE3-CD2 3.96Å; W247-L253 HydrophobicContact CZ3-CD2 4.33Å; W247-V283 HydrophobicContact CB-CG1 4.19Å; W247-V283 HydrophobicContact CD2-CG1 3.45Å; W247-V283 VanDerWaalsContact CD2-CG1 3.45Å; W247-V283 HydrophobicContact CE3-CG1 4Å; W247-V283 HydrophobicContact CG-CG1 3.49Å; W247-V283 VanDerWaalsContact CG-CG1 3.49Å; W247-V283 HydrophobicContact CZ2-CG1 4.27Å; W247-W287 HydrophobicContact CB-CB 3.52Å; W247-W287 HydrophobicContact CB-CG 4.1Å; W247-W287 AromaticContact CD1-CD2 3.53Å; W247-W287 AromaticContact CD1-CE3 3.51Å; W247-W287 AromaticContact CD1-CG 3.75Å; W247-W287 HydrophobicContact CG-CB 4.21Å; W247-W287 HydrophobicContact CG-CD2 4.44Å; W247-W287 HydrophobicContact CG-CE3 4.4Å; W247-W287 HydrophobicContact CG-CG 4.34Å; W247-I297 HydrophobicContact CB-CD1 4.5Å; W247-I297 VanDerWaalsContact O-CD1 3.24Å; W247-I297 WeakPolarHBondContact O-CD1 3.47Å
248	A	91.8	Very high	96.8	Very high	32 Å²	32	26.2 Å²	26.2	26%	0.264	13%	0.133	S	C	.	.	H	α-helix	trans	-62.1	-28.7	179.4	0	0	0	0	0	113.2	S244 H289	S244-A248 WeakPolarHBondContact O-CB 3.37Å; S244-A248 PolarHBondContact O-N 3.16Å; A248-H289 WeakPolarHBondContact O-CA 3.31Å; A248-H289 PolarHBondContact O-CD2 2.99Å; A248-H289 VanDerWaalsContact O-CD2 3.23Å
249	Q	94.7	Very high	96.9	Very high	36 Å²	36	20.8 Å²	20.8	17%	0.168	11%	0.108	C	C	.	.	H	α-helix	trans	-95.2	-7.3	175.4	-55	-55	-30.4	0	0	113.7	E193 L196 W245 L246 W247	E193-Q249 HydrophobicContact CG-CG 3.6Å; E193-Q249 PolarHBondContact OE1-NE2 2.93Å; L196-Q249 HydrophobicContact CB-CB 3.82Å; L196-Q249 HydrophobicContact CD1-CB 4.18Å; W245-Q249 WeakPolarHBondContact O-CG 3.39Å; L246-Q249 PolarHBondContact O-N 3.44Å; W247-Q249 PolarHBondContact O-N 3.02Å
250	S	95.8	Very high	96.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.014	11%	0.106	C	C	.	.			trans	-85.3	134.3	-178.9	-63	0	0	0	0	110.9	L246 W247	L246-S250 PolarHBondContact O-N 3.09Å; L246-S250 PolarHBondContact O-OG 2.84Å; W247-S250 PolarHBondContact O-N 3.4Å; W247-S250 VanDerWaalsContact O-N 3.09Å
251	T	94.6	Very high	96.7	Very high	25 Å²	25	24.1 Å²	24.1	15%	0.153	13%	0.126	C	C	.	.	S	Bend	trans	-101.1	-2.3	169.9	62.5	0	0	0	0	112.4	V200 G206 W208 P298	V200-T251 HydrophobicContact CG1-CG2 4.04Å; V200-T251 HydrophobicContact CG2-CG2 3.92Å; G206-T251 PolarHBondContact O-OG1 3.31Å; W208-T251 PolarHBondContact N-OG1 3.26Å; W208-T251 PolarHBondContact O-N 3.37Å; T251-P298 WeakPolarHBondContact O-CD 3.26Å; T251-P298 WeakPolarHBondContact O-CG 3.48Å
252	A	96	Very high	96.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-156.4	156	167	0	0	0	0	0	112.3	F207 W208 Y254 I297 P298 L300	F207-A252 HydrophobicContact CB-CB 3.81Å; F207-A252 HydrophobicContact CD1-CB 4.37Å; W208-A252 PolarHBondContact O-N 3.44Å; A252-Y254 HydrophobicContact CB-CE1 4.37Å; A252-Y254 HydrophobicContact CB-CE2 3.72Å; A252-Y254 WeakPolarHBondContact CB-OH 3.44Å; A252-I297 VanDerWaalsContact CA-CG2 3.46Å; A252-P298 CarbonylContact C-O 3.56Å; A252-P298 WeakPolarHBondContact CA-O 3.13Å; A252-P298 HydrophobicContact CB-CG 4.09Å; A252-L300 HydrophobicContact CB-CD1 4.21Å
253	L	98.1	Very high	96.4	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-113.2	137.1	175.2	-57.4	-177.5	0	0	0	111.7	W247 P255 A280 V283 A284 I297 P298 V299 L300	W247-L253 HydrophobicContact CE3-CD2 3.96Å; W247-L253 HydrophobicContact CZ3-CD2 4.33Å; L253-P255 VanDerWaalsContact C-CD 3.44Å; L253-P255 WeakPolarHBondContact O-CD 3.18Å; L253-A280 WeakPolarHBondContact CD1-O 3.42Å; L253-V283 HydrophobicContact CD1-CB 4.23Å; L253-V283 HydrophobicContact CD1-CG1 3.93Å; L253-A284 HydrophobicContact CD1-CB 3.82Å; L253-I297 HydrophobicContact CD2-CG2 4.29Å; L253-I297 HydrophobicContact CG-CB 4.46Å; L253-I297 HydrophobicContact CG-CG2 3.85Å; L253-P298 PolarHBondContact N-O 3.48Å; L253-V299 HydrophobicContact CB-CG2 4.4Å; L253-V299 HydrophobicContact CD1-CG2 4.4Å; L253-L300 PolarHBondContact O-N 3.49Å
254	Y	98.8	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-125	58.7	-172.1	-60.2	-73.2	0	0	0	113.2	V134 V136 F207 G212 F213 A252 S256 L300 Y302 V335	V134-Y254 HydrophobicContact CG1-CE1 3.65Å; V136-Y254 HydrophobicContact CG2-CD1 3.91Å; V136-Y254 HydrophobicContact CG2-CD2 3.99Å; V136-Y254 HydrophobicContact CG2-CE1 3.75Å; V136-Y254 HydrophobicContact CG2-CE2 3.82Å; V136-Y254 HydrophobicContact CG2-CG 4.04Å; F207-Y254 WeakPolarHBondContact CB-OH 3.47Å; F207-Y254 PolarHBondContact O-OH 3.42Å; G212-Y254 WeakPolarHBondContact CA-O 3.03Å; G212-Y254 PolarHBondContact N-O 2.96Å; F213-Y254 CarbonylContact O-C 3.57Å; F213-Y254 PolarHBondContact O-N 2.92Å; A252-Y254 HydrophobicContact CB-CE1 4.37Å; A252-Y254 HydrophobicContact CB-CE2 3.72Å; A252-Y254 WeakPolarHBondContact CB-OH 3.44Å; Y254-S256 PolarHBondContact O-N 2.9Å; Y254-L300 HydrophobicContact CD1-CB 4.1Å; Y254-L300 VanDerWaalsContact CD1-O 3.25Å; Y254-L300 WeakPolarHBondContact CD1-O 3.08Å; Y254-L300 HydrophobicContact CE1-CB 3.86Å; Y254-Y302 HydrophobicContact CD1-CD2 4.05Å; Y254-Y302 AromaticContact CD1-CE2 3.79Å; Y254-Y302 HydrophobicContact CD1-CE2 3.79Å; Y254-Y302 HydrophobicContact CG-CD2 4.38Å; Y254-Y302 HydrophobicContact CG-CE2 4.17Å; Y254-V335 HydrophobicContact CD1-CG2 4.33Å; Y254-V335 HydrophobicContact CE1-CG2 4.26Å
255	P	98.7	Very high	96.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.144	C	C	.	.			trans	-64.4	139.6	178	31.1	-38.2	0	0	0	110.7	L253 A280 V299 P301 Y302	L253-P255 VanDerWaalsContact C-CD 3.44Å; L253-P255 WeakPolarHBondContact O-CD 3.18Å; P255-A280 HydrophobicContact CB-CB 4.21Å; P255-A280 HydrophobicContact CG-CB 3.66Å; P255-V299 HydrophobicContact CG-CG1 4.14Å; P255-P301 HydrophobicContact CG-CB 3.95Å; P255-P301 CarbonylContact O-C 3.46Å; P255-P301 WeakPolarHBondContact O-CA 3.36Å; P255-P301 WeakPolarHBondContact O-CB 3.35Å; P255-Y302 PolarHBondContact O-N 3.49Å
256	S	98.4	Very high	96	Very high	26 Å²	26	26.7 Å²	26.7	18%	0.182	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-78.8	126.5	175.5	177.7	0	0	0	0	111	Y211 Y254 R276	Y211-S256 PolarHBondContact OH-OG 2.96Å; Y254-S256 PolarHBondContact O-N 2.9Å; S256-R276 WeakPolarHBondContact O-CD 3.33Å; S256-R276 PolarHBondContact O-NH1 3.27Å
257	I	98.4	Very high	95.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.183	C	C	.	.			trans	-118.1	26.1	177.3	64.4	168.1	0	0	0	112.2	L259 I273 R276 L277 P301 Y302 A303 S326	I257-L259 PolarHBondContact O-N 2.89Å; I257-I273 HydrophobicContact CB-CD1 3.86Å; I257-I273 HydrophobicContact CB-CG2 4.06Å; I257-I273 HydrophobicContact CD1-CG2 4.07Å; I257-I273 HydrophobicContact CG2-CD1 4.5Å; I257-I273 HydrophobicContact CG2-CG2 4.07Å; I257-I273 VanDerWaalsContact O-CD1 3.28Å; I257-I273 WeakPolarHBondContact O-CD1 3.14Å; I257-R276 HydrophobicContact CG2-CB 4.18Å; I257-L277 HydrophobicContact CG2-CD2 4.43Å; I257-P301 HydrophobicContact CB-CB 4.44Å; I257-P301 HydrophobicContact CD1-CB 3.72Å; I257-P301 HydrophobicContact CD1-CG 3.83Å; I257-P301 HydrophobicContact CG1-CB 3.85Å; I257-P301 HydrophobicContact CG1-CG 4.48Å; I257-P301 HydrophobicContact CG2-CB 3.81Å; I257-Y302 WeakPolarHBondContact CG1-O 3.38Å; I257-Y302 PolarHBondContact N-O 2.93Å; I257-A303 HydrophobicContact CD1-CB 4.03Å; I257-A303 HydrophobicContact CG1-CB 3.95Å; I257-S326 WeakPolarHBondContact CD1-OG 3.34Å
258	Y	98.1	Very high	95.7	Very high	24 Å²	24	33.8 Å²	33.8	9%	0.094	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-57.8	129.8	178	-59.4	-11.2	0	0	0	111	Y211 P260 Y302 R304 T308 W337	Y211-Y258 WeakPolarHBondContact OH-CE2 3.17Å; Y258-P260 WeakPolarHBondContact O-CD 3.31Å; Y258-Y302 VanDerWaalsContact CD1-O 3.31Å; Y258-Y302 WeakPolarHBondContact CD1-O 3.41Å; Y258-Y302 WeakPolarHBondContact CE1-O 3.39Å; Y258-Y302 WeakPolarHBondContact OH-CD1 3.27Å; Y258-R304 HydrophobicContact CD1-CB 4.3Å; Y258-R304 HydrophobicContact CD1-CG 3.64Å; Y258-R304 HydrophobicContact CD2-CG 4.29Å; Y258-R304 HydrophobicContact CE1-CG 3.69Å; Y258-R304 HydrophobicContact CE2-CG 4.34Å; Y258-R304 HydrophobicContact CG-CG 3.96Å; Y258-T308 WeakPolarHBondContact CB-OG1 3.15Å; Y258-W337 HydrophobicContact CE1-CE3 4.43Å; Y258-W337 AromaticContact CE2-CE3 3.84Å; Y258-W337 HydrophobicContact CE2-CE3 3.84Å; Y258-W337 AromaticContact CE2-CZ3 3.95Å; Y258-W337 HydrophobicContact CE2-CZ3 3.95Å; Y258-W337 AromaticContact CZ-CE3 3.56Å; Y258-W337 WeakPolarHBondContact OH-CB 3.03Å
259	L	97.4	Very high	95.9	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-90.4	119.8	-175.5	-176.9	58.4	0	0	0	110.2	I257 L263 A269 M272 F307 T308 L314 D318 T322	I257-L259 PolarHBondContact O-N 2.89Å; L259-L263 HydrophobicContact CD1-CB 3.83Å; L259-L263 HydrophobicContact CD1-CD1 4.4Å; L259-A269 HydrophobicContact CD1-CB 3.52Å; L259-A269 HydrophobicContact CD2-CB 4.38Å; L259-M272 HydrophobicContact CD1-CE 4.09Å; L259-F307 HydrophobicContact CB-CD1 4.42Å; L259-F307 HydrophobicContact CD2-CD1 4.18Å; L259-F307 HydrophobicContact CD2-CE1 3.77Å; L259-F307 HydrophobicContact CG-CD1 3.99Å; L259-F307 HydrophobicContact CG-CE1 4.02Å; L259-F307 CarbonylContact O-C 3.14Å; L259-F307 WeakPolarHBondContact O-CA 3.29Å; L259-T308 PolarHBondContact O-N 2.99Å; L259-T308 PolarHBondContact O-OG1 2.86Å; L259-L314 HydrophobicContact CD2-CD2 4.09Å; L259-D318 HydrophobicContact CD2-CB 3.9Å; L259-T322 HydrophobicContact CB-CG2 4.1Å; L259-T322 HydrophobicContact CD2-CG2 4.16Å
260	P	96.1	Very high	95.9	Very high	23 Å²	23	30.8 Å²	30.8	15%	0.149	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-70.7	143.4	171.9	-19.7	34	0	0	0	111.3	Y258 R262 L263 M272	Y258-P260 WeakPolarHBondContact O-CD 3.31Å; P260-R262 HydrophobicContact CB-CG 4.18Å; P260-R262 PolarHBondContact O-N 2.73Å; P260-R262 VanDerWaalsContact O-N 3.16Å; P260-L263 PolarHBondContact O-N 3.22Å; P260-M272 HydrophobicContact CG-CE 4.41Å
261	Q	95.1	Very high	96	Very high	96 Å²	96	32.8 Å²	32.8	45%	0.449	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-59.7	-30.2	-177.9	-170.7	171	-10.5	0	0	113.8	L263 A264 F307 N312	Q261-L263 PolarHBondContact O-N 3.43Å; Q261-A264 VanDerWaalsContact O-CB 3.26Å; Q261-A264 WeakPolarHBondContact O-CB 3.46Å; Q261-A264 PolarHBondContact O-N 3.04Å; Q261-F307 VanDerWaalsContact CA-CD1 3.48Å; Q261-F307 HydrophobicContact CB-CB 3.79Å; Q261-F307 HydrophobicContact CB-CD1 4.22Å; Q261-F307 HydrophobicContact CB-CD2 4.26Å; Q261-F307 HydrophobicContact CB-CG 3.83Å; Q261-F307 HydrophobicContact CG-CB 4.39Å; Q261-F307 HydrophobicContact CG-CD2 3.97Å; Q261-F307 HydrophobicContact CG-CE2 4.4Å; Q261-F307 HydrophobicContact CG-CG 4.06Å; Q261-N312 PolarHBondContact NE2-ND2 3.14Å
262	R	93.8	Very high	96.1	Very high	150 Å²	150	31.6 Å²	31.6	57%	0.566	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-63.9	-9.3	175.8	69.8	175.8	179.4	80	-0.9	114.9	K219 N220 P260	K219-R262 PolarHBondContact O-NH2 2.82Å; N220-R262 PolarHBondContact OD1-NH2 3.44Å; P260-R262 HydrophobicContact CB-CG 4.18Å; P260-R262 PolarHBondContact O-N 2.73Å; P260-R262 VanDerWaalsContact O-N 3.16Å
263	L	94.9	Very high	96.2	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-107.8	7.5	176.8	-62	-177.1	0	0	0	112.5	L259 P260 Q261 G265 S266 D268 A269 M272	L259-L263 HydrophobicContact CD1-CB 3.83Å; L259-L263 HydrophobicContact CD1-CD1 4.4Å; P260-L263 PolarHBondContact O-N 3.22Å; Q261-L263 PolarHBondContact O-N 3.43Å; L263-G265 PolarHBondContact O-N 3.34Å; L263-S266 WeakPolarHBondContact O-CB 2.83Å; L263-S266 PolarHBondContact O-N 2.88Å; L263-S266 VanDerWaalsContact O-N 3.08Å; L263-D268 HydrophobicContact CD2-CB 3.89Å; L263-A269 HydrophobicContact CB-CB 4.17Å; L263-M272 HydrophobicContact CD1-CB 4.47Å; L263-M272 HydrophobicContact CD1-CE 3.89Å; L263-M272 HydrophobicContact CD1-SD 3.79Å
264	A	95.6	Very high	96.2	Very high	49 Å²	49	32.3 Å²	32.3	41%	0.405	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	128.4	179.6	0	0	0	0	0	111.8	Q261 S266 F307	Q261-A264 VanDerWaalsContact O-CB 3.26Å; Q261-A264 WeakPolarHBondContact O-CB 3.46Å; Q261-A264 PolarHBondContact O-N 3.04Å; A264-S266 PolarHBondContact O-N 3.29Å; A264-F307 HydrophobicContact CB-CE1 3.63Å; A264-F307 HydrophobicContact CB-CE2 4.22Å; A264-F307 HydrophobicContact CB-CZ 3.33Å
265	G	93.3	Very high	96.1	Very high	41 Å²	41	34.1 Å²	34.1	42%	0.423	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-2.2	179.3	0	0	0	0	0	115.9	L263 D318	L263-G265 PolarHBondContact O-N 3.34Å; G265-D318 PolarHBondContact N-OD1 2.84Å
266	S	93.5	Very high	96.1	Very high	41 Å²	41	35 Å²	35	29%	0.287	19%	0.194	S	C	.	.			trans	-86.4	146	-174	178.4	0	0	0	0	112.2	L263 A264 D268 A269 H321	L263-S266 WeakPolarHBondContact O-CB 2.83Å; L263-S266 PolarHBondContact O-N 2.88Å; L263-S266 VanDerWaalsContact O-N 3.08Å; A264-S266 PolarHBondContact O-N 3.29Å; S266-D268 PolarHBondContact O-N 2.75Å; S266-D268 WeakPolarHBondContact OG-CB 3.49Å; S266-D268 PolarHBondContact OG-N 3.48Å; S266-D268 VanDerWaalsContact OG-N 3.16Å; S266-A269 WeakPolarHBondContact O-CB 3.27Å; S266-A269 PolarHBondContact O-N 2.89Å; S266-H321 PolarHBondContact O-CE1 2.87Å; S266-H321 VanDerWaalsContact O-CE1 3.3Å; S266-H321 PolarHBondContact O-ND1 3.47Å
267	T	92.4	Very high	96.1	Very high	101 Å²	101	33.8 Å²	33.8	62%	0.62	19%	0.186	S	C	*	.	H	α-helix	trans	-62.2	-21.8	170.6	54.8	0	0	0	0	112.5	A269 A270 L271	T267-A269 PolarHBondContact O-N 2.98Å; T267-A270 WeakPolarHBondContact O-CB 3.39Å; T267-A270 PolarHBondContact O-N 3.35Å; T267-L271 PolarHBondContact O-N 2.89Å
268	D	95	Very high	96.1	Very high	50 Å²	50	36.5 Å²	36.5	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-30.6	171.7	-77.1	-10.7	0	0	0	112.1	Y228 L263 S266 L271 M272	Y228-D268 HydrophobicContact CD1-CB 3.73Å; Y228-D268 HydrophobicContact CE1-CB 4.09Å; L263-D268 HydrophobicContact CD2-CB 3.89Å; S266-D268 PolarHBondContact O-N 2.75Å; S266-D268 WeakPolarHBondContact OG-CB 3.49Å; S266-D268 PolarHBondContact OG-N 3.48Å; S266-D268 VanDerWaalsContact OG-N 3.16Å; D268-L271 PolarHBondContact O-N 3.41Å; D268-M272 WeakPolarHBondContact O-CB 3.42Å; D268-M272 PolarHBondContact O-N 3.32Å
269	A	95.6	Very high	96.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-52.3	172.4	0	0	0	0	0	110.4	L259 L263 S266 T267 L271 M272 I273 H321	L259-A269 HydrophobicContact CD1-CB 3.52Å; L259-A269 HydrophobicContact CD2-CB 4.38Å; L263-A269 HydrophobicContact CB-CB 4.17Å; S266-A269 WeakPolarHBondContact O-CB 3.27Å; S266-A269 PolarHBondContact O-N 2.89Å; T267-A269 PolarHBondContact O-N 2.98Å; A269-L271 VanDerWaalsContact C-N 3.31Å; A269-L271 PolarHBondContact O-N 2.78Å; A269-M272 PolarHBondContact O-N 3.34Å; A269-I273 WeakPolarHBondContact O-CG1 3.46Å; A269-I273 PolarHBondContact O-N 2.62Å; A269-H321 HydrophobicContact CB-CB 3.99Å
270	A	95.3	Very high	96.2	Very high	6 Å²	6	35.4 Å²	35.4	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-42.9	177.5	0	0	0	0	0	111.5	T267 M272 I273 R274 H321 E325	T267-A270 WeakPolarHBondContact O-CB 3.39Å; T267-A270 PolarHBondContact O-N 3.35Å; A270-M272 PolarHBondContact O-N 3.07Å; A270-I273 PolarHBondContact O-N 2.93Å; A270-R274 WeakPolarHBondContact O-CB 3.46Å; A270-R274 PolarHBondContact O-N 2.83Å; A270-H321 HydrophobicContact CB-CB 4.34Å; A270-E325 HydrophobicContact CB-CG 4.3Å
271	L	96.3	Very high	96.2	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-43.6	177.6	-71.1	174.8	0	0	0	112.5	Y228 T267 D268 A269 H275	Y228-L271 HydrophobicContact CE1-CB 4.29Å; T267-L271 PolarHBondContact O-N 2.89Å; D268-L271 PolarHBondContact O-N 3.41Å; A269-L271 VanDerWaalsContact C-N 3.31Å; A269-L271 PolarHBondContact O-N 2.78Å; L271-H275 PolarHBondContact O-N 2.91Å; L271-H275 PolarHBondContact O-ND1 3.13Å
272	M	97.3	Very high	96.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-52	178	-175.2	-178.5	68.6	0	0	110.8	N218 Y228 L259 P260 L263 D268 A269 A270 H275 R276	N218-M272 PolarHBondContact ND2-O 2.96Å; Y228-M272 HydrophobicContact CE1-CB 4.2Å; Y228-M272 WeakPolarHBondContact OH-CB 3.46Å; Y228-M272 WeakPolarHBondContact OH-CG 3.46Å; L259-M272 HydrophobicContact CD1-CE 4.09Å; P260-M272 HydrophobicContact CG-CE 4.41Å; L263-M272 HydrophobicContact CD1-CB 4.47Å; L263-M272 HydrophobicContact CD1-CE 3.89Å; L263-M272 HydrophobicContact CD1-SD 3.79Å; D268-M272 WeakPolarHBondContact O-CB 3.42Å; D268-M272 PolarHBondContact O-N 3.32Å; A269-M272 PolarHBondContact O-N 3.34Å; A270-M272 PolarHBondContact O-N 3.07Å; M272-H275 PolarHBondContact O-N 3.25Å; M272-R276 WeakPolarHBondContact O-CG 3.5Å; M272-R276 PolarHBondContact O-N 3.31Å; M272-R276 PolarHBondContact SD-NH2 3.3Å; M272-R276 VanDerWaalsContact SD-NH2 3.39Å
273	I	97.9	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-45.1	-176.4	-61.1	-35.8	0	0	0	110.5	I257 A269 A270 H275 R276 L277 H321 T322 E325	I257-I273 HydrophobicContact CB-CD1 3.86Å; I257-I273 HydrophobicContact CB-CG2 4.06Å; I257-I273 HydrophobicContact CD1-CG2 4.07Å; I257-I273 HydrophobicContact CG2-CD1 4.5Å; I257-I273 HydrophobicContact CG2-CG2 4.07Å; I257-I273 VanDerWaalsContact O-CD1 3.28Å; I257-I273 WeakPolarHBondContact O-CD1 3.14Å; A269-I273 WeakPolarHBondContact O-CG1 3.46Å; A269-I273 PolarHBondContact O-N 2.62Å; A270-I273 PolarHBondContact O-N 2.93Å; I273-H275 VanDerWaalsContact C-N 3.31Å; I273-H275 PolarHBondContact O-N 3.03Å; I273-R276 WeakPolarHBondContact O-CB 3.06Å; I273-R276 PolarHBondContact O-N 2.97Å; I273-R276 VanDerWaalsContact O-N 3.11Å; I273-L277 HydrophobicContact CG2-CD1 3.68Å; I273-L277 HydrophobicContact CG2-CG 4.2Å; I273-L277 WeakPolarHBondContact O-CG 3.33Å; I273-L277 PolarHBondContact O-N 3.39Å; I273-H321 WeakPolarHBondContact CB-O 3.46Å; I273-H321 WeakPolarHBondContact CG1-O 3.35Å; I273-T322 HydrophobicContact CG1-CG2 4.18Å; I273-E325 HydrophobicContact CG2-CB 4.32Å
274	R	97.8	Very high	96.2	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-51.9	-46.5	178	-178.9	177.2	-59.8	141.4	3.7	112.6	A270 L277 L278 E325 L329 P390	A270-R274 WeakPolarHBondContact O-CB 3.46Å; A270-R274 PolarHBondContact O-N 2.83Å; R274-L277 PolarHBondContact O-N 2.55Å; R274-L278 HydrophobicContact CG-CD1 3.98Å; R274-L278 HydrophobicContact CG-CG 4.4Å; R274-L278 WeakPolarHBondContact O-CB 3.26Å; R274-L278 WeakPolarHBondContact O-CG 3.3Å; R274-L278 PolarHBondContact O-N 3.28Å; R274-E325 IonicContact CZ-OE1 3.26Å; R274-E325 IonicContact CZ-OE2 2.73Å; R274-E325 IonicContact NE-OE2 2.9Å; R274-E325 PolarHBondContact NE-OE2 2.87Å; R274-E325 IonicContact NH2-OE1 2.89Å; R274-E325 PolarHBondContact NH2-OE1 3.12Å; R274-E325 IonicContact NH2-OE2 3.93Å; R274-E325 PolarHBondContact NH2-OE2 3.11Å; R274-L329 HydrophobicContact CB-CD1 4.42Å; R274-L329 HydrophobicContact CG-CD1 4.02Å; R274-P390 VanDerWaalsContact CD-O 3.31Å; R274-P390 WeakPolarHBondContact CD-O 3.45Å; R274-P390 PolarHBondContact NE-O 2.78Å; R274-P390 VanDerWaalsContact NE-O 3.15Å
275	H	98.1	Very high	95.8	Very high	39 Å²	39	26.9 Å²	26.9	18%	0.181	15%	0.152	C	C	.	.	H	α-helix	trans	-75	-28	-178.2	-75.3	91.2	0	0	0	113.8	T229 G230 R231 L271 M272 I273 E279	T229-H275 PolarHBondContact O-CE1 2.69Å; T229-H275 PolarHBondContact O-ND1 2.93Å; G230-H275 WeakPolarHBondContact O-CB 3.42Å; G230-H275 VanDerWaalsContact O-CG 3.3Å; R231-H275 WeakPolarHBondContact CG-NE2 3.49Å; L271-H275 PolarHBondContact O-N 2.91Å; L271-H275 PolarHBondContact O-ND1 3.13Å; M272-H275 PolarHBondContact O-N 3.25Å; I273-H275 VanDerWaalsContact C-N 3.31Å; I273-H275 PolarHBondContact O-N 3.03Å; H275-E279 PolarHBondContact O-N 3.37Å; H275-E279 VanDerWaalsContact O-N 3.09Å
276	R	98.6	Very high	95.6	Very high	19 Å²	19	27.9 Å²	27.9	7%	0.072	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-45.3	169.4	-67.8	-172.8	-176.8	175	12.2	110.9	C216 N218 S256 I257 M272 I273 E279 A280	C216-R276 HydrophobicContact CB-CB 4.41Å; C216-R276 HydrophobicContact CB-CG 3.77Å; N218-R276 PolarHBondContact OD1-NE 3.07Å; S256-R276 WeakPolarHBondContact O-CD 3.33Å; S256-R276 PolarHBondContact O-NH1 3.27Å; I257-R276 HydrophobicContact CG2-CB 4.18Å; M272-R276 WeakPolarHBondContact O-CG 3.5Å; M272-R276 PolarHBondContact O-N 3.31Å; M272-R276 PolarHBondContact SD-NH2 3.3Å; M272-R276 VanDerWaalsContact SD-NH2 3.39Å; I273-R276 WeakPolarHBondContact O-CB 3.06Å; I273-R276 PolarHBondContact O-N 2.97Å; I273-R276 VanDerWaalsContact O-N 3.11Å; R276-E279 PolarHBondContact O-N 3.05Å; R276-A280 PolarHBondContact O-N 3Å; R276-A280 VanDerWaalsContact O-N 3.08Å
277	L	98.4	Very high	95.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-43.6	177.5	-67	167.7	0	0	0	112.1	I257 I273 R274 E279 A280 L281 P301 E325 L329	I257-L277 HydrophobicContact CG2-CD2 4.43Å; I273-L277 HydrophobicContact CG2-CD1 3.68Å; I273-L277 HydrophobicContact CG2-CG 4.2Å; I273-L277 WeakPolarHBondContact O-CG 3.33Å; I273-L277 PolarHBondContact O-N 3.39Å; R274-L277 PolarHBondContact O-N 2.55Å; L277-E279 VanDerWaalsContact C-N 3.27Å; L277-E279 PolarHBondContact O-N 3.04Å; L277-A280 PolarHBondContact O-N 3.16Å; L277-L281 WeakPolarHBondContact O-CB 3.39Å; L277-L281 VanDerWaalsContact O-CG 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.5Å; L277-L281 PolarHBondContact O-N 2.65Å; L277-P301 HydrophobicContact CD2-CB 3.87Å; L277-P301 HydrophobicContact CD2-CG 3.7Å; L277-E325 HydrophobicContact CD1-CB 4.22Å; L277-L329 HydrophobicContact CB-CD1 3.57Å; L277-L329 HydrophobicContact CD1-CD1 3.74Å; L277-L329 HydrophobicContact CG-CD1 4.34Å
278	L	97.9	Very high	94.3	Very high	59 Å²	59	27.6 Å²	27.6	31%	0.309	13%	0.132	S	C	.	.	H	α-helix	trans	-61.6	-36.5	177.5	-75.1	174.6	0	0	0	112.1	R274 R282 L329 P390	R274-L278 HydrophobicContact CG-CD1 3.98Å; R274-L278 HydrophobicContact CG-CG 4.4Å; R274-L278 WeakPolarHBondContact O-CB 3.26Å; R274-L278 WeakPolarHBondContact O-CG 3.3Å; R274-L278 PolarHBondContact O-N 3.28Å; L278-R282 WeakPolarHBondContact O-CB 3.28Å; L278-R282 PolarHBondContact O-N 2.75Å; L278-L329 HydrophobicContact CD2-CD2 4.21Å; L278-L329 HydrophobicContact CG-CD1 4.36Å; L278-P390 HydrophobicContact CD1-CB 4.13Å; L278-P390 HydrophobicContact CD2-CB 4Å; L278-P390 HydrophobicContact CD2-CG 4.15Å
279	E	98.5	Very high	92.9	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-69.8	-43	175.2	-179.2	58.4	-175.9	0	0	112.2	P214 K237 N240 H275 R276 L277 L281 R282 V283	P214-E279 HydrophobicContact CG-CG 4.46Å; K237-E279 WeakPolarHBondContact CG-OE2 3.2Å; N240-E279 WeakPolarHBondContact ND2-CG 3.19Å; N240-E279 PolarHBondContact ND2-OE1 3.02Å; H275-E279 PolarHBondContact O-N 3.37Å; H275-E279 VanDerWaalsContact O-N 3.09Å; R276-E279 PolarHBondContact O-N 3.05Å; L277-E279 VanDerWaalsContact C-N 3.27Å; L277-E279 PolarHBondContact O-N 3.04Å; E279-L281 PolarHBondContact O-N 2.97Å; E279-R282 WeakPolarHBondContact O-CB 3.16Å; E279-R282 PolarHBondContact O-N 3.28Å; E279-R282 IonicContact OE1-CZ 2.74Å; E279-R282 IonicContact OE1-NE 3.59Å; E279-R282 PolarHBondContact OE1-NE 2.78Å; E279-R282 IonicContact OE1-NH2 2.8Å; E279-R282 PolarHBondContact OE1-NH2 3.46Å; E279-R282 IonicContact OE2-CZ 2.7Å; E279-R282 IonicContact OE2-NE 3.41Å; E279-R282 PolarHBondContact OE2-NE 3.36Å; E279-R282 IonicContact OE2-NH2 3.44Å; E279-V283 WeakPolarHBondContact O-CG2 3.49Å; E279-V283 PolarHBondContact O-N 3.27Å
280	A	98.1	Very high	91	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-43	174.4	0	0	0	0	0	112.8	P214 L253 P255 R276 L277 R282 V283 A284 V299	P214-A280 VanDerWaalsContact CG-CA 3.49Å; P214-A280 HydrophobicContact CG-CB 3.87Å; L253-A280 WeakPolarHBondContact CD1-O 3.42Å; P255-A280 HydrophobicContact CB-CB 4.21Å; P255-A280 HydrophobicContact CG-CB 3.66Å; R276-A280 PolarHBondContact O-N 3Å; R276-A280 VanDerWaalsContact O-N 3.08Å; L277-A280 PolarHBondContact O-N 3.16Å; A280-R282 VanDerWaalsContact C-N 3.34Å; A280-R282 PolarHBondContact O-N 3.36Å; A280-V283 PolarHBondContact O-N 2.78Å; A280-A284 VanDerWaalsContact O-CB 3.29Å; A280-A284 WeakPolarHBondContact O-CB 3.47Å; A280-A284 PolarHBondContact O-N 2.73Å; A280-V299 HydrophobicContact CB-CG1 3.72Å; A280-V299 HydrophobicContact CB-CG2 4.33Å
281	L	96.1	Very high	88.8	Confident	32 Å²	32	37.8 Å²	37.8	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-35	175.8	-70.6	166.7	0	0	0	112	L277 E279 L285 V299 L329	L277-L281 WeakPolarHBondContact O-CB 3.39Å; L277-L281 VanDerWaalsContact O-CG 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.5Å; L277-L281 PolarHBondContact O-N 2.65Å; E279-L281 PolarHBondContact O-N 2.97Å; L281-L285 WeakPolarHBondContact O-CB 3.1Å; L281-L285 WeakPolarHBondContact O-CD1 3.12Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 3.05Å; L281-V299 HydrophobicContact CD2-CB 4.32Å; L281-V299 HydrophobicContact CD2-CG2 3.94Å; L281-V299 HydrophobicContact CG-CG2 4.44Å; L281-L329 HydrophobicContact CD1-CB 3.89Å; L281-L329 WeakPolarHBondContact CD1-O 3.41Å
282	R	96.1	Very high	86.7	Confident	55 Å²	55	38 Å²	38	21%	0.208	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-53.8	172.9	-175.8	-167.2	70.4	84.6	-2.8	110.1	K237 D241 L278 E279 A280 A284 L285 T286	K237-R282 PolarHBondContact O-NH2 2.83Å; D241-R282 IonicContact OD1-CZ 3.57Å; D241-R282 IonicContact OD1-NH1 3.32Å; D241-R282 PolarHBondContact OD1-NH1 2.8Å; D241-R282 IonicContact OD1-NH2 2.6Å; D241-R282 PolarHBondContact OD1-NH2 3.26Å; D241-R282 IonicContact OD2-NH1 3.58Å; L278-R282 WeakPolarHBondContact O-CB 3.28Å; L278-R282 PolarHBondContact O-N 2.75Å; E279-R282 WeakPolarHBondContact O-CB 3.16Å; E279-R282 PolarHBondContact O-N 3.28Å; E279-R282 IonicContact OE1-CZ 2.74Å; E279-R282 IonicContact OE1-NE 3.59Å; E279-R282 PolarHBondContact OE1-NE 2.78Å; E279-R282 IonicContact OE1-NH2 2.8Å; E279-R282 PolarHBondContact OE1-NH2 3.46Å; E279-R282 IonicContact OE2-CZ 2.7Å; E279-R282 IonicContact OE2-NE 3.41Å; E279-R282 PolarHBondContact OE2-NE 3.36Å; E279-R282 IonicContact OE2-NH2 3.44Å; A280-R282 VanDerWaalsContact C-N 3.34Å; A280-R282 PolarHBondContact O-N 3.36Å; R282-A284 VanDerWaalsContact C-N 3.35Å; R282-A284 PolarHBondContact O-N 3.26Å; R282-L285 PolarHBondContact O-N 2.87Å; R282-L285 VanDerWaalsContact O-N 3.15Å; R282-T286 PolarHBondContact O-N 3.42Å; R282-T286 PolarHBondContact O-OG1 3.07Å; R282-T286 VanDerWaalsContact O-OG1 3.07Å
283	V	95.4	Very high	84.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-47.8	179.6	170.3	0	0	0	0	111.1	P214 N240 W247 L253 E279 A280 L285 T286 W287	P214-V283 HydrophobicContact CB-CG2 4.22Å; P214-V283 HydrophobicContact CG-CB 4.25Å; P214-V283 HydrophobicContact CG-CG2 4.06Å; N240-V283 HydrophobicContact CB-CG2 4.2Å; W247-V283 HydrophobicContact CB-CG1 4.19Å; W247-V283 HydrophobicContact CD2-CG1 3.45Å; W247-V283 VanDerWaalsContact CD2-CG1 3.45Å; W247-V283 HydrophobicContact CE3-CG1 4Å; W247-V283 HydrophobicContact CG-CG1 3.49Å; W247-V283 VanDerWaalsContact CG-CG1 3.49Å; W247-V283 HydrophobicContact CZ2-CG1 4.27Å; L253-V283 HydrophobicContact CD1-CB 4.23Å; L253-V283 HydrophobicContact CD1-CG1 3.93Å; E279-V283 WeakPolarHBondContact O-CG2 3.49Å; E279-V283 PolarHBondContact O-N 3.27Å; A280-V283 PolarHBondContact O-N 2.78Å; V283-L285 PolarHBondContact O-N 2.9Å; V283-T286 PolarHBondContact O-N 2.96Å; V283-W287 HydrophobicContact CB-CE3 4.26Å; V283-W287 HydrophobicContact CB-CZ3 4.37Å; V283-W287 HydrophobicContact CG1-CE3 3.93Å; V283-W287 HydrophobicContact CG1-CZ3 4.43Å; V283-W287 HydrophobicContact CG2-CE3 4.43Å; V283-W287 HydrophobicContact CG2-CZ3 4.12Å; V283-W287 PolarHBondContact O-N 3.21Å
284	A	92.9	Very high	83.1	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-28.1	178.8	0	0	0	0	0	114.8	L253 A280 R282 I297 V299	L253-A284 HydrophobicContact CD1-CB 3.82Å; A280-A284 VanDerWaalsContact O-CB 3.29Å; A280-A284 WeakPolarHBondContact O-CB 3.47Å; A280-A284 PolarHBondContact O-N 2.73Å; R282-A284 VanDerWaalsContact C-N 3.35Å; R282-A284 PolarHBondContact O-N 3.26Å; A284-I297 HydrophobicContact CB-CB 4.08Å; A284-I297 VanDerWaalsContact CB-O 3.27Å; A284-I297 WeakPolarHBondContact CB-O 3.36Å; A284-I297 PolarHBondContact O-N 3.12Å; A284-V299 HydrophobicContact CB-CG2 3.79Å
285	L	88.2	Confident	81.9	Confident	56 Å²	56	50 Å²	50	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-87.1	-32.9	178.2	-72.1	170.4	0	0	0	112.2	A30 L281 R282 V283 A296	A30-L285 HydrophobicContact CB-CD2 4.08Å; L281-L285 WeakPolarHBondContact O-CB 3.1Å; L281-L285 WeakPolarHBondContact O-CD1 3.12Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 3.05Å; R282-L285 PolarHBondContact O-N 2.87Å; R282-L285 VanDerWaalsContact O-N 3.15Å; V283-L285 PolarHBondContact O-N 2.9Å; L285-A296 HydrophobicContact CD2-CB 3.88Å
286	T	88.9	Confident	81.2	Confident	61 Å²	61	48.5 Å²	48.5	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-79.1	-46.5	-177.6	-59.5	0	0	0	0	112	R282 V283	R282-T286 PolarHBondContact O-N 3.42Å; R282-T286 PolarHBondContact O-OG1 3.07Å; R282-T286 VanDerWaalsContact O-OG1 3.07Å; V283-T286 PolarHBondContact O-N 2.96Å
287	W	84.5	Confident	80.8	Confident	53 Å²	53	48 Å²	48	20%	0.201	26%	0.258	C	S	.	.	S	Bend	trans	-107.3	127.3	179.2	-64.3	-84.9	0	0	0	110	D241 W247 V283 I297	D241-W287 HydrophobicContact CB-CH2 3.85Å; D241-W287 HydrophobicContact CB-CZ2 3.96Å; D241-W287 WeakPolarHBondContact OD1-CH2 3.18Å; W247-W287 HydrophobicContact CB-CB 3.52Å; W247-W287 HydrophobicContact CB-CG 4.1Å; W247-W287 AromaticContact CD1-CD2 3.53Å; W247-W287 AromaticContact CD1-CE3 3.51Å; W247-W287 AromaticContact CD1-CG 3.75Å; W247-W287 HydrophobicContact CG-CB 4.21Å; W247-W287 HydrophobicContact CG-CD2 4.44Å; W247-W287 HydrophobicContact CG-CE3 4.4Å; W247-W287 HydrophobicContact CG-CG 4.34Å; V283-W287 HydrophobicContact CB-CE3 4.26Å; V283-W287 HydrophobicContact CB-CZ3 4.37Å; V283-W287 HydrophobicContact CG1-CE3 3.93Å; V283-W287 HydrophobicContact CG1-CZ3 4.43Å; V283-W287 HydrophobicContact CG2-CE3 4.43Å; V283-W287 HydrophobicContact CG2-CZ3 4.12Å; V283-W287 PolarHBondContact O-N 3.21Å; W287-I297 VanDerWaalsContact O-CD1 3.31Å; W287-I297 WeakPolarHBondContact O-CD1 3.29Å
288	R	74.1	Confident	80.6	Confident	84 Å²	84	48.4 Å²	48.4	32%	0.317	26%	0.261	S	S	.	.			trans	-111.7	144.9	-177.1	-58.8	175.5	-171.3	173.6	-2.4	108.6	N294	R288-N294 PolarHBondContact NH1-OD1 2.92Å
289	H	65.5	Low	80.5	Confident	43 Å²	43	45.7 Å²	45.7	20%	0.199	25%	0.246	C	C	.	.			trans	-68.6	132.5	170.9	-178.3	-84.7	0	0	0	110.1	A248 S292	A248-H289 WeakPolarHBondContact O-CA 3.31Å; A248-H289 PolarHBondContact O-CD2 2.99Å; A248-H289 VanDerWaalsContact O-CD2 3.23Å; H289-S292 PolarHBondContact O-N 3.15Å; H289-S292 PolarHBondContact O-OG 3.43Å
290	G	54.4	Low	80.5	Confident	51 Å²	51	45.6 Å²	45.6	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	141.4	-175.4	0	0	0	0	0	113.8	S292	G290-S292 PolarHBondContact O-N 3.17Å; G290-S292 VanDerWaalsContact O-N 3.16Å
291	N	49.7	Very low	80.5	Confident	175 Å²	175	45.6 Å²	45.6	94%	0.936	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	-0.2	180	-68.4	-11.7	0	0	0	118.5	N293	N291-N293 PolarHBondContact O-N 3.23Å
292	S	52.5	Low	80.6	Confident	47 Å²	47	44.1 Å²	44.1	33%	0.329	24%	0.238	S	C	.	.			trans	-83.4	117.2	176.4	-10.4	0	0	0	0	111.5	H289 G290 N294	H289-S292 PolarHBondContact O-N 3.15Å; H289-S292 PolarHBondContact O-OG 3.43Å; G290-S292 PolarHBondContact O-N 3.17Å; G290-S292 VanDerWaalsContact O-N 3.16Å; S292-N294 PolarHBondContact O-N 2.97Å
293	N	56.1	Low	80.8	Confident	139 Å²	139	41.5 Å²	41.5	74%	0.743	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-41.5	84.3	175	-75.4	-25.6	0	0	0	114.7	N291 Q295	N291-N293 PolarHBondContact O-N 3.23Å; N293-Q295 PolarHBondContact O-N 3.4Å
294	N	62.8	Low	80.9	Confident	90 Å²	90	41.9 Å²	41.9	48%	0.481	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	23	174.8	-80.3	-17.2	0	0	0	116	A30 A31 R288 S292	A30-N294 CarbonylContact C-O 3.59Å; A30-N294 WeakPolarHBondContact CA-O 3.45Å; A31-N294 PolarHBondContact N-O 3.49Å; R288-N294 PolarHBondContact NH1-OD1 2.92Å; S292-N294 PolarHBondContact O-N 2.97Å
295	Q	74.2	Confident	81.1	Confident	42 Å²	42	41.9 Å²	41.9	20%	0.196	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-90	129.3	-175.8	-173.3	165.2	-20	0	0	111.8	A31 A33 G34 D36 N293	A31-Q295 CarbonylContact O-C 3.6Å; A33-Q295 VanDerWaalsContact CA-NE2 3.31Å; A33-Q295 HydrophobicContact CB-CG 4.49Å; G34-Q295 VanDerWaalsContact N-NE2 3.11Å; D36-Q295 PolarHBondContact OD2-NE2 3.27Å; N293-Q295 PolarHBondContact O-N 3.4Å
296	A	81.8	Confident	81.6	Confident	7 Å²	7	39.2 Å²	39.2	6%	0.058	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-73.9	147.6	172.1	0	0	0	0	0	110.4	A30 A31 A33 L285	A30-A296 HydrophobicContact CB-CB 4.13Å; A31-A296 WeakPolarHBondContact O-CB 3.32Å; A31-A296 PolarHBondContact O-N 3.05Å; A33-A296 WeakPolarHBondContact CB-O 3.48Å; A33-A296 PolarHBondContact N-O 3.44Å; L285-A296 HydrophobicContact CD2-CB 3.88Å
297	I	90.6	Very high	82	Confident	9 Å²	9	36.9 Å²	36.9	5%	0.046	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-67.4	128.8	178.9	-55.4	172.6	0	0	0	109.2	W247 A252 L253 A284 W287 V299	W247-I297 HydrophobicContact CB-CD1 4.5Å; W247-I297 VanDerWaalsContact O-CD1 3.24Å; W247-I297 WeakPolarHBondContact O-CD1 3.47Å; A252-I297 VanDerWaalsContact CA-CG2 3.46Å; L253-I297 HydrophobicContact CD2-CG2 4.29Å; L253-I297 HydrophobicContact CG-CB 4.46Å; L253-I297 HydrophobicContact CG-CG2 3.85Å; A284-I297 HydrophobicContact CB-CB 4.08Å; A284-I297 VanDerWaalsContact CB-O 3.27Å; A284-I297 WeakPolarHBondContact CB-O 3.36Å; A284-I297 PolarHBondContact O-N 3.12Å; W287-I297 VanDerWaalsContact O-CD1 3.31Å; W287-I297 WeakPolarHBondContact O-CD1 3.29Å; I297-V299 PolarHBondContact O-N 3.45Å
298	P	93.6	Very high	82.5	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.058	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-63.3	134.2	175.9	23.9	-31.5	0	0	0	111.1	A33 F207 T251 A252 L253 L300 A332	A33-P298 HydrophobicContact CB-CB 3.53Å; A33-P298 HydrophobicContact CB-CG 3.95Å; F207-P298 HydrophobicContact CD1-CB 4.49Å; F207-P298 HydrophobicContact CD1-CG 3.68Å; F207-P298 HydrophobicContact CE1-CG 3.91Å; T251-P298 WeakPolarHBondContact O-CD 3.26Å; T251-P298 WeakPolarHBondContact O-CG 3.48Å; A252-P298 CarbonylContact C-O 3.56Å; A252-P298 WeakPolarHBondContact CA-O 3.13Å; A252-P298 HydrophobicContact CB-CG 4.09Å; L253-P298 PolarHBondContact N-O 3.48Å; P298-L300 HydrophobicContact CB-CD1 3.89Å; P298-L300 HydrophobicContact CG-CD1 4.46Å; P298-A332 HydrophobicContact CB-CB 3.74Å
299	V	96.8	Very high	83.4	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-101.8	120.6	176	-176.9	0	0	0	0	109.3	L253 P255 A280 L281 A284 I297 A332	L253-V299 HydrophobicContact CB-CG2 4.4Å; L253-V299 HydrophobicContact CD1-CG2 4.4Å; P255-V299 HydrophobicContact CG-CG1 4.14Å; A280-V299 HydrophobicContact CB-CG1 3.72Å; A280-V299 HydrophobicContact CB-CG2 4.33Å; L281-V299 HydrophobicContact CD2-CB 4.32Å; L281-V299 HydrophobicContact CD2-CG2 3.94Å; L281-V299 HydrophobicContact CG-CG2 4.44Å; A284-V299 HydrophobicContact CB-CG2 3.79Å; I297-V299 PolarHBondContact O-N 3.45Å; V299-A332 PolarHBondContact O-N 2.98Å
300	L	97.9	Very high	84.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.			trans	-127.5	80.7	177.6	-67.4	95	0	0	0	108.9	L37 V43 V134 A252 L253 Y254 P298 A332 V335	L37-L300 HydrophobicContact CD1-CD1 4.33Å; L37-L300 HydrophobicContact CD1-CD2 3.54Å; V43-L300 HydrophobicContact CG1-CD2 3.98Å; V134-L300 HydrophobicContact CG2-CD2 4.12Å; A252-L300 HydrophobicContact CB-CD1 4.21Å; L253-L300 PolarHBondContact O-N 3.49Å; Y254-L300 HydrophobicContact CD1-CB 4.1Å; Y254-L300 VanDerWaalsContact CD1-O 3.25Å; Y254-L300 WeakPolarHBondContact CD1-O 3.08Å; Y254-L300 HydrophobicContact CE1-CB 3.86Å; P298-L300 HydrophobicContact CB-CD1 3.89Å; P298-L300 HydrophobicContact CG-CD1 4.46Å; L300-A332 HydrophobicContact CD1-CB 4.18Å; L300-A332 HydrophobicContact CG-CB 4.36Å; L300-V335 HydrophobicContact CB-CG2 4.25Å
301	P	98.6	Very high	86.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.			trans	-58.2	146.3	179.8	32.2	-43.9	0	0	0	112	P255 I257 L277 G333 V334 V335	P255-P301 HydrophobicContact CG-CB 3.95Å; P255-P301 CarbonylContact O-C 3.46Å; P255-P301 WeakPolarHBondContact O-CA 3.36Å; P255-P301 WeakPolarHBondContact O-CB 3.35Å; I257-P301 HydrophobicContact CB-CB 4.44Å; I257-P301 HydrophobicContact CD1-CB 3.72Å; I257-P301 HydrophobicContact CD1-CG 3.83Å; I257-P301 HydrophobicContact CG1-CB 3.85Å; I257-P301 HydrophobicContact CG1-CG 4.48Å; I257-P301 HydrophobicContact CG2-CB 3.81Å; L277-P301 HydrophobicContact CD2-CB 3.87Å; L277-P301 HydrophobicContact CD2-CG 3.7Å; P301-G333 VanDerWaalsContact CD-O 3.27Å; P301-G333 WeakPolarHBondContact CD-O 3.4Å; P301-V334 HydrophobicContact CG-CG1 3.92Å; P301-V334 WeakPolarHBondContact O-CA 3.4Å; P301-V335 PolarHBondContact O-N 3.38Å
302	Y	98.8	Very high	89.2	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.5	171.9	-99.9	-109.4	0	0	0	110.3	N47 M81 I83 V136 Y211 Y254 P255 I257 Y258 V335 W337	N47-Y302 PolarHBondContact OD1-OH 3.26Å; M81-Y302 WeakPolarHBondContact CE-OH 3.25Å; I83-Y302 HydrophobicContact CD1-CE1 4.32Å; V136-Y302 HydrophobicContact CB-CE2 4.46Å; V136-Y302 HydrophobicContact CG1-CE2 3.99Å; V136-Y302 HydrophobicContact CG2-CE2 3.86Å; V136-Y302 WeakPolarHBondContact CG2-OH 3.42Å; Y211-Y302 AromaticContact CD2-CD1 3.77Å; Y211-Y302 HydrophobicContact CD2-CD1 3.77Å; Y211-Y302 AromaticContact CD2-CD2 3.88Å; Y211-Y302 HydrophobicContact CD2-CD2 3.88Å; Y211-Y302 HydrophobicContact CD2-CE1 4.15Å; Y211-Y302 HydrophobicContact CD2-CE2 4.25Å; Y211-Y302 AromaticContact CD2-CG 3.61Å; Y211-Y302 HydrophobicContact CD2-CG 3.61Å; Y211-Y302 AromaticContact CE2-CD1 3.76Å; Y211-Y302 HydrophobicContact CE2-CD1 3.76Å; Y211-Y302 HydrophobicContact CE2-CD2 4.42Å; Y211-Y302 HydrophobicContact CE2-CE1 4.49Å; Y211-Y302 AromaticContact CE2-CG 3.71Å; Y211-Y302 HydrophobicContact CE2-CG 3.71Å; Y254-Y302 HydrophobicContact CD1-CD2 4.05Å; Y254-Y302 AromaticContact CD1-CE2 3.79Å; Y254-Y302 HydrophobicContact CD1-CE2 3.79Å; Y254-Y302 HydrophobicContact CG-CD2 4.38Å; Y254-Y302 HydrophobicContact CG-CE2 4.17Å; P255-Y302 PolarHBondContact O-N 3.49Å; I257-Y302 WeakPolarHBondContact CG1-O 3.38Å; I257-Y302 PolarHBondContact N-O 2.93Å; Y258-Y302 VanDerWaalsContact CD1-O 3.31Å; Y258-Y302 WeakPolarHBondContact CD1-O 3.41Å; Y258-Y302 WeakPolarHBondContact CE1-O 3.39Å; Y258-Y302 WeakPolarHBondContact OH-CD1 3.27Å; Y302-V335 WeakPolarHBondContact CA-O 3.01Å; Y302-V335 HydrophobicContact CD1-CB 4.46Å; Y302-V335 HydrophobicContact CD1-CG1 4.28Å; Y302-V335 HydrophobicContact CD2-CB 3.86Å; Y302-V335 HydrophobicContact CD2-CG1 4.29Å; Y302-V335 HydrophobicContact CD2-CG2 4.24Å; Y302-V335 HydrophobicContact CE1-CB 4.4Å; Y302-V335 HydrophobicContact CE1-CG1 3.82Å; Y302-V335 HydrophobicContact CE2-CB 3.78Å; Y302-V335 HydrophobicContact CE2-CG1 3.83Å; Y302-V335 HydrophobicContact CE2-CG2 3.95Å; Y302-V335 HydrophobicContact CG-CB 4.21Å; Y302-W337 HydrophobicContact CD1-CB 3.57Å; Y302-W337 HydrophobicContact CD1-CG 4.13Å; Y302-W337 HydrophobicContact CE1-CB 3.75Å; Y302-W337 AromaticContact CE1-CD1 3.97Å; Y302-W337 HydrophobicContact CE1-CG 4.05Å
303	A	98.5	Very high	91.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	160.3	176.5	0	0	0	0	0	110.9	I257 V335 L336 W337	I257-A303 HydrophobicContact CD1-CB 4.03Å; I257-A303 HydrophobicContact CG1-CB 3.95Å; A303-V335 PolarHBondContact N-O 3.21Å; A303-L336 HydrophobicContact CB-CD2 4.2Å; A303-W337 PolarHBondContact O-N 2.92Å
304	R	98	Very high	93.4	Very high	8 Å²	8	28.4 Å²	28.4	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.4	169.2	-76.6	176.8	68	113.1	-4	109.1	Y258 A306 T310 L314 W337 E339	Y258-R304 HydrophobicContact CD1-CB 4.3Å; Y258-R304 HydrophobicContact CD1-CG 3.64Å; Y258-R304 HydrophobicContact CD2-CG 4.29Å; Y258-R304 HydrophobicContact CE1-CG 3.69Å; Y258-R304 HydrophobicContact CE2-CG 4.34Å; Y258-R304 HydrophobicContact CG-CG 3.96Å; R304-A306 VanDerWaalsContact C-N 3.27Å; R304-A306 WeakPolarHBondContact CB-O 3.32Å; R304-T310 PolarHBondContact NH2-O 2.73Å; R304-L314 WeakPolarHBondContact O-CD1 3.39Å; R304-W337 HydrophobicContact CG-CE3 4.11Å; R304-E339 IonicContact CZ-OE1 2.75Å; R304-E339 IonicContact NH1-OE1 2.72Å; R304-E339 PolarHBondContact NH1-OE1 2.82Å; R304-E339 IonicContact NH2-OE1 2.92Å; R304-E339 PolarHBondContact NH2-OE1 3.37Å
305	L	97.5	Very high	95.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.142	C	C	.	.	S	Bend	trans	-80.9	-9.7	169.5	-61.9	-178.7	0	0	0	113.8	W46 M48 F313 L314 L336 L352 Y355 L360	W46-L305 HydrophobicContact CH2-CD1 3.53Å; W46-L305 HydrophobicContact CZ3-CD1 3.63Å; M48-L305 HydrophobicContact CE-CD1 4.2Å; M48-L305 HydrophobicContact SD-CD1 3.59Å; M48-L305 VanDerWaalsContact SD-CD1 3.59Å; M48-L305 HydrophobicContact SD-CG 4.18Å; L305-F313 HydrophobicContact CB-CD1 4.29Å; L305-F313 CarbonylContact O-C 3.28Å; L305-F313 VanDerWaalsContact O-CA 3.31Å; L305-F313 WeakPolarHBondContact O-CA 3.27Å; L305-L314 PolarHBondContact O-N 3.49Å; L305-L336 HydrophobicContact CD2-CD1 3.97Å; L305-L336 HydrophobicContact CD2-CD2 3.96Å; L305-L336 HydrophobicContact CD2-CG 4.45Å; L305-L352 HydrophobicContact CD1-CD1 4.14Å; L305-Y355 HydrophobicContact CB-CE1 4.07Å; L305-Y355 HydrophobicContact CD1-CE1 4.42Å; L305-Y355 HydrophobicContact CD2-CE1 4.33Å; L305-L360 HydrophobicContact CD1-CD2 3.78Å; L305-L360 HydrophobicContact CD2-CD1 3.46Å; L305-L360 VanDerWaalsContact CD2-CD1 3.46Å; L305-L360 HydrophobicContact CD2-CD2 3.37Å; L305-L360 HydrophobicContact CD2-CG 3.98Å; L305-L360 HydrophobicContact CG-CD2 4.21Å
306	A	98	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-134.8	163.6	-179.4	0	0	0	0	0	109.7	R304 N312 F313 F342	R304-A306 VanDerWaalsContact C-N 3.27Å; R304-A306 WeakPolarHBondContact CB-O 3.32Å; A306-N312 CarbonylContact C-O 3.52Å; A306-N312 WeakPolarHBondContact CA-O 3.5Å; A306-N312 WeakPolarHBondContact CB-O 3.25Å; A306-F313 HydrophobicContact CB-CD1 4.44Å; A306-F342 HydrophobicContact CB-CE1 4.09Å; A306-F342 HydrophobicContact CB-CZ 3.67Å
307	F	98	Very high	96.9	Very high	13 Å²	13	35 Å²	35	6%	0.057	18%	0.179	C	C	.	.	S	Bend	trans	-58.2	155.1	174.5	-60	-74.2	0	0	0	112.3	L259 Q261 A264 H309 T310 N312 L314 D318	L259-F307 HydrophobicContact CB-CD1 4.42Å; L259-F307 HydrophobicContact CD2-CD1 4.18Å; L259-F307 HydrophobicContact CD2-CE1 3.77Å; L259-F307 HydrophobicContact CG-CD1 3.99Å; L259-F307 HydrophobicContact CG-CE1 4.02Å; L259-F307 CarbonylContact O-C 3.14Å; L259-F307 WeakPolarHBondContact O-CA 3.29Å; Q261-F307 VanDerWaalsContact CA-CD1 3.48Å; Q261-F307 HydrophobicContact CB-CB 3.79Å; Q261-F307 HydrophobicContact CB-CD1 4.22Å; Q261-F307 HydrophobicContact CB-CD2 4.26Å; Q261-F307 HydrophobicContact CB-CG 3.83Å; Q261-F307 HydrophobicContact CG-CB 4.39Å; Q261-F307 HydrophobicContact CG-CD2 3.97Å; Q261-F307 HydrophobicContact CG-CE2 4.4Å; Q261-F307 HydrophobicContact CG-CG 4.06Å; A264-F307 HydrophobicContact CB-CE1 3.63Å; A264-F307 HydrophobicContact CB-CE2 4.22Å; A264-F307 HydrophobicContact CB-CZ 3.33Å; F307-H309 PolarHBondContact O-N 3.44Å; F307-T310 HydrophobicContact CB-CG2 4.48Å; F307-T310 PolarHBondContact O-N 2.72Å; F307-T310 PolarHBondContact O-OG1 3.37Å; F307-N312 HydrophobicContact CD2-CB 4.02Å; F307-N312 WeakPolarHBondContact CD2-O 3.31Å; F307-N312 PolarHBondContact N-O 3.36Å; F307-L314 HydrophobicContact CD1-CD2 3.48Å; F307-L314 VanDerWaalsContact CD1-CD2 3.48Å; F307-L314 HydrophobicContact CD2-CD2 4.04Å; F307-L314 HydrophobicContact CE1-CD2 3.43Å; F307-L314 VanDerWaalsContact CE1-CD2 3.43Å; F307-L314 HydrophobicContact CE2-CD2 3.99Å; F307-L314 HydrophobicContact CG-CD2 3.81Å; F307-L314 HydrophobicContact CZ-CD2 3.69Å; F307-D318 VanDerWaalsContact CZ-OD2 3.26Å; F307-D318 WeakPolarHBondContact CZ-OD2 3.24Å
308	T	95.6	Very high	97.3	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	125.5	-178.7	-55.7	0	0	0	0	110.6	Y258 L259 T310	Y258-T308 WeakPolarHBondContact CB-OG1 3.15Å; L259-T308 PolarHBondContact O-N 2.99Å; L259-T308 PolarHBondContact O-OG1 2.86Å; T308-T310 PolarHBondContact O-N 3.41Å
309	H	93.6	Very high	97.6	Very high	162 Å²	162	34.3 Å²	34.3	75%	0.75	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	17.7	-177.2	-52	-58.8	0	0	0	116.3	F307	F307-H309 PolarHBondContact O-N 3.44Å
310	T	96.1	Very high	97.6	Very high	31 Å²	31	36.1 Å²	36.1	19%	0.19	18%	0.183	C	C	.	.	S	Bend	trans	-126.9	172.2	176.3	81.4	0	0	0	0	112.3	R304 F307 T308 N312	R304-T310 PolarHBondContact NH2-O 2.73Å; F307-T310 HydrophobicContact CB-CG2 4.48Å; F307-T310 PolarHBondContact O-N 2.72Å; F307-T310 PolarHBondContact O-OG1 3.37Å; T308-T310 PolarHBondContact O-N 3.41Å; T310-N312 PolarHBondContact OG1-N 2.75Å; T310-N312 VanDerWaalsContact OG1-N 3.17Å
311	L	96.4	Very high	97.6	Very high	52 Å²	52	37.4 Å²	37.4	27%	0.272	19%	0.189	S	C	.	.			trans	-104	11	168.4	-58.9	179.9	0	0	0	112	F313 K341 F342	L311-F313 PolarHBondContact O-N 2.93Å; L311-K341 HydrophobicContact CD1-CB 4.19Å; L311-K341 HydrophobicContact CD2-CB 3.91Å; L311-F342 HydrophobicContact CB-CE1 4.38Å; L311-F342 HydrophobicContact CD2-CD1 3.75Å; L311-F342 HydrophobicContact CD2-CD2 3.98Å; L311-F342 HydrophobicContact CD2-CE1 3.54Å; L311-F342 HydrophobicContact CD2-CE2 3.78Å; L311-F342 HydrophobicContact CD2-CG 3.95Å; L311-F342 HydrophobicContact CD2-CZ 3.54Å
312	N	97.5	Very high	97.6	Very high	85 Å²	85	37.6 Å²	37.6	46%	0.455	19%	0.19	S	C	.	.			trans	-80.3	104.2	-179.6	-64.7	-4.6	0	0	0	108.1	Q261 A306 F307 T310	Q261-N312 PolarHBondContact NE2-ND2 3.14Å; A306-N312 CarbonylContact C-O 3.52Å; A306-N312 WeakPolarHBondContact CA-O 3.5Å; A306-N312 WeakPolarHBondContact CB-O 3.25Å; F307-N312 HydrophobicContact CD2-CB 4.02Å; F307-N312 WeakPolarHBondContact CD2-O 3.31Å; F307-N312 PolarHBondContact N-O 3.36Å; T310-N312 PolarHBondContact OG1-N 2.75Å; T310-N312 VanDerWaalsContact OG1-N 3.17Å
313	F	98.6	Very high	97.6	Very high	51 Å²	51	37.5 Å²	37.5	22%	0.224	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-58.7	146	-177.2	-65.3	-59.5	0	0	0	112.2	L305 A306 L311 F342 L351 L352 Y355	L305-F313 HydrophobicContact CB-CD1 4.29Å; L305-F313 CarbonylContact O-C 3.28Å; L305-F313 VanDerWaalsContact O-CA 3.31Å; L305-F313 WeakPolarHBondContact O-CA 3.27Å; A306-F313 HydrophobicContact CB-CD1 4.44Å; L311-F313 PolarHBondContact O-N 2.93Å; F313-F342 HydrophobicContact CD1-CE1 4.24Å; F313-F342 AromaticContact CE1-CD1 3.84Å; F313-F342 HydrophobicContact CE1-CD1 3.84Å; F313-F342 AromaticContact CE1-CE1 3.52Å; F313-F342 HydrophobicContact CE1-CE1 3.52Å; F313-F342 HydrophobicContact CZ-CD1 4.13Å; F313-F342 HydrophobicContact CZ-CE1 4.13Å; F313-L351 HydrophobicContact CE2-CB 4.38Å; F313-L352 HydrophobicContact CE1-CD1 3.83Å; F313-L352 HydrophobicContact CZ-CB 4.3Å; F313-L352 HydrophobicContact CZ-CD1 3.95Å; F313-Y355 HydrophobicContact CB-CD1 4.33Å; F313-Y355 HydrophobicContact CB-CD2 3.62Å; F313-Y355 HydrophobicContact CB-CE1 4.24Å; F313-Y355 HydrophobicContact CB-CE2 3.53Å; F313-Y355 HydrophobicContact CB-CG 4.03Å; F313-Y355 AromaticContact CD1-CD1 3.65Å; F313-Y355 HydrophobicContact CD1-CD1 3.65Å; F313-Y355 HydrophobicContact CD1-CD2 4.4Å; F313-Y355 AromaticContact CD1-CE1 3.85Å; F313-Y355 HydrophobicContact CD1-CE1 3.85Å; F313-Y355 AromaticContact CD1-CG 3.93Å; F313-Y355 HydrophobicContact CD1-CG 3.93Å; F313-Y355 HydrophobicContact CD2-CD1 4.36Å; F313-Y355 HydrophobicContact CD2-CD2 4.04Å; F313-Y355 AromaticContact CD2-CG 3.81Å; F313-Y355 HydrophobicContact CD2-CG 3.81Å; F313-Y355 AromaticContact CE1-CD1 3.97Å; F313-Y355 HydrophobicContact CE1-CD1 3.97Å; F313-Y355 HydrophobicContact CE1-CE1 4.5Å; F313-Y355 HydrophobicContact CE1-CG 4.34Å; F313-Y355 HydrophobicContact CE2-CG 4.22Å; F313-Y355 AromaticContact CG-CD1 3.88Å; F313-Y355 HydrophobicContact CG-CD1 3.88Å; F313-Y355 AromaticContact CG-CD2 3.79Å; F313-Y355 HydrophobicContact CG-CD2 3.79Å; F313-Y355 HydrophobicContact CG-CE1 4.17Å; F313-Y355 HydrophobicContact CG-CE2 4.1Å; F313-Y355 AromaticContact CG-CG 3.66Å; F313-Y355 HydrophobicContact CG-CG 3.66Å; F313-Y355 HydrophobicContact CZ-CD1 4.46Å; F313-Y355 HydrophobicContact CZ-CG 4.48Å
314	L	98.6	Very high	97.5	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	19%	0.19	C	C	.	.			trans	-70.3	139.2	174.1	-61.8	-170.4	0	0	0	109.2	L259 R304 L305 F307 D318 L319 T322 Y355	L259-L314 HydrophobicContact CD2-CD2 4.09Å; R304-L314 WeakPolarHBondContact O-CD1 3.39Å; L305-L314 PolarHBondContact O-N 3.49Å; F307-L314 HydrophobicContact CD1-CD2 3.48Å; F307-L314 VanDerWaalsContact CD1-CD2 3.48Å; F307-L314 HydrophobicContact CD2-CD2 4.04Å; F307-L314 HydrophobicContact CE1-CD2 3.43Å; F307-L314 VanDerWaalsContact CE1-CD2 3.43Å; F307-L314 HydrophobicContact CE2-CD2 3.99Å; F307-L314 HydrophobicContact CG-CD2 3.81Å; F307-L314 HydrophobicContact CZ-CD2 3.69Å; L314-D318 HydrophobicContact CB-CB 3.75Å; L314-D318 HydrophobicContact CD1-CB 4.34Å; L314-D318 HydrophobicContact CD2-CB 4.01Å; L314-D318 HydrophobicContact CG-CB 4.22Å; L314-L319 HydrophobicContact CB-CD2 4.07Å; L314-L319 HydrophobicContact CB-CG 4.18Å; L314-L319 HydrophobicContact CD1-CD2 4.35Å; L314-T322 HydrophobicContact CD1-CG2 4.32Å; L314-Y355 WeakPolarHBondContact O-CE2 2.78Å; L314-Y355 PolarHBondContact O-OH 2.96Å
315	N	98.2	Very high	97.5	Very high	79 Å²	79	37.3 Å²	37.3	42%	0.422	19%	0.189	S	C	.	.			trans	-81.9	178.3	169.2	69.2	20.9	0	0	0	110.4	T317 D318 L319	N315-T317 VanDerWaalsContact C-N 3.29Å; N315-T317 PolarHBondContact O-N 3.17Å; N315-T317 WeakPolarHBondContact OD1-CA 3.46Å; N315-T317 WeakPolarHBondContact OD1-CB 3.14Å; N315-T317 PolarHBondContact OD1-N 3.41Å; N315-D318 PolarHBondContact O-N 3.19Å; N315-D318 VanDerWaalsContact O-N 3.14Å; N315-D318 PolarHBondContact OD1-N 3.34Å; N315-D318 PolarHBondContact OD1-OD2 3.06Å; N315-L319 WeakPolarHBondContact O-CG 3.36Å; N315-L319 PolarHBondContact O-N 3.25Å
316	E	97.8	Very high	97.6	Very high	130 Å²	130	37.3 Å²	37.3	61%	0.607	19%	0.189	S	C	*	.	H	α-helix	trans	-58.2	-38.4	-179.8	-168.6	176.5	-175.4	0	0	113.2	D318 L319 E320 F363	E316-D318 PolarHBondContact O-N 3.15Å; E316-L319 PolarHBondContact O-N 2.83Å; E316-E320 PolarHBondContact O-N 2.77Å; E316-F363 HydrophobicContact CG-CD2 3.87Å; E316-F363 HydrophobicContact CG-CE2 4.38Å
317	T	97.4	Very high	97.5	Very high	70 Å²	70	37.6 Å²	37.6	43%	0.429	19%	0.191	S	C	.	.	H	α-helix	trans	-61.7	-44	175.9	-53.7	0	0	0	0	111.7	N315 E320 H321	N315-T317 VanDerWaalsContact C-N 3.29Å; N315-T317 PolarHBondContact O-N 3.17Å; N315-T317 WeakPolarHBondContact OD1-CA 3.46Å; N315-T317 WeakPolarHBondContact OD1-CB 3.14Å; N315-T317 PolarHBondContact OD1-N 3.41Å; T317-E320 PolarHBondContact O-N 3.37Å; T317-H321 VanDerWaalsContact O-CG 3.27Å; T317-H321 PolarHBondContact O-N 3.41Å; T317-H321 PolarHBondContact O-ND1 3.37Å
318	D	98.4	Very high	97.5	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-35.1	177.1	-69.5	-47.8	0	0	0	112.4	L259 G265 F307 L314 N315 E316 H321 T322	L259-D318 HydrophobicContact CD2-CB 3.9Å; G265-D318 PolarHBondContact N-OD1 2.84Å; F307-D318 VanDerWaalsContact CZ-OD2 3.26Å; F307-D318 WeakPolarHBondContact CZ-OD2 3.24Å; L314-D318 HydrophobicContact CB-CB 3.75Å; L314-D318 HydrophobicContact CD1-CB 4.34Å; L314-D318 HydrophobicContact CD2-CB 4.01Å; L314-D318 HydrophobicContact CG-CB 4.22Å; N315-D318 PolarHBondContact O-N 3.19Å; N315-D318 VanDerWaalsContact O-N 3.14Å; N315-D318 PolarHBondContact OD1-N 3.34Å; N315-D318 PolarHBondContact OD1-OD2 3.06Å; E316-D318 PolarHBondContact O-N 3.15Å; D318-H321 PolarHBondContact O-N 3.09Å; D318-T322 WeakPolarHBondContact O-CB 3.02Å; D318-T322 WeakPolarHBondContact O-CG2 3.48Å; D318-T322 PolarHBondContact O-N 3Å; D318-T322 VanDerWaalsContact O-N 3.12Å; D318-T322 PolarHBondContact O-OG1 3.18Å
319	L	98.6	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-39.5	172.3	-69.8	176.5	0	0	0	111.5	L314 N315 E316 T322 I323 G324 V359 L360 F363	L314-L319 HydrophobicContact CB-CD2 4.07Å; L314-L319 HydrophobicContact CB-CG 4.18Å; L314-L319 HydrophobicContact CD1-CD2 4.35Å; N315-L319 WeakPolarHBondContact O-CG 3.36Å; N315-L319 PolarHBondContact O-N 3.25Å; E316-L319 PolarHBondContact O-N 2.83Å; L319-T322 WeakPolarHBondContact CA-OG1 3.31Å; L319-T322 CarbonylContact O-C 3.33Å; L319-T322 PolarHBondContact O-N 3.08Å; L319-T322 PolarHBondContact O-OG1 2.8Å; L319-I323 HydrophobicContact CD2-CD1 3.95Å; L319-I323 PolarHBondContact O-N 3.35Å; L319-G324 PolarHBondContact O-N 3.35Å; L319-V359 HydrophobicContact CD1-CG1 4Å; L319-L360 HydrophobicContact CD1-CD1 4.28Å; L319-L360 HydrophobicContact CD2-CD1 4.1Å; L319-F363 HydrophobicContact CB-CD1 4.01Å; L319-F363 HydrophobicContact CB-CD2 4.24Å; L319-F363 HydrophobicContact CB-CE1 3.77Å; L319-F363 HydrophobicContact CB-CE2 3.99Å; L319-F363 HydrophobicContact CB-CG 4.25Å; L319-F363 HydrophobicContact CB-CZ 3.75Å; L319-F363 HydrophobicContact CD1-CB 4.25Å; L319-F363 HydrophobicContact CD1-CD1 4.03Å; L319-F363 HydrophobicContact CD1-CG 4.02Å
320	E	97.9	Very high	97.6	Very high	39 Å²	39	28.8 Å²	28.8	18%	0.182	15%	0.151	C	C	.	.	I	π-helix	trans	-65	-41.4	173.9	-172.2	58	-149.5	0	0	111.2	E316 T317 T322 G324 E325 F363 S395	E316-E320 PolarHBondContact O-N 2.77Å; T317-E320 PolarHBondContact O-N 3.37Å; E320-T322 PolarHBondContact O-N 3.29Å; E320-G324 CarbonylContact O-C 3.6Å; E320-G324 WeakPolarHBondContact O-CA 3.32Å; E320-G324 PolarHBondContact O-N 3.21Å; E320-E325 PolarHBondContact O-N 2.9Å; E320-F363 HydrophobicContact CB-CE2 4.4Å; E320-S395 WeakPolarHBondContact OE1-CB 3.42Å; E320-S395 PolarHBondContact OE1-OG 3.26Å; E320-S395 PolarHBondContact OE2-OG 3.4Å
321	H	97.5	Very high	97.6	Very high	28 Å²	28	27.4 Å²	27.4	13%	0.13	14%	0.143	C	C	.	.	I	π-helix	trans	-68.8	-11.2	175.7	-67.3	163.2	0	0	0	114.4	S266 A269 A270 I273 T317 D318	S266-H321 PolarHBondContact O-CE1 2.87Å; S266-H321 VanDerWaalsContact O-CE1 3.3Å; S266-H321 PolarHBondContact O-ND1 3.47Å; A269-H321 HydrophobicContact CB-CB 3.99Å; A270-H321 HydrophobicContact CB-CB 4.34Å; I273-H321 WeakPolarHBondContact CB-O 3.46Å; I273-H321 WeakPolarHBondContact CG1-O 3.35Å; T317-H321 VanDerWaalsContact O-CG 3.27Å; T317-H321 PolarHBondContact O-N 3.41Å; T317-H321 PolarHBondContact O-ND1 3.37Å; D318-H321 PolarHBondContact O-N 3.09Å
322	T	98.3	Very high	97.5	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	13%	0.133	C	C	.	.	I	π-helix	trans	-114.8	-75.9	-179.6	52	0	0	0	0	111.9	L259 I273 L314 D318 L319 E320 S326	L259-T322 HydrophobicContact CB-CG2 4.1Å; L259-T322 HydrophobicContact CD2-CG2 4.16Å; I273-T322 HydrophobicContact CG1-CG2 4.18Å; L314-T322 HydrophobicContact CD1-CG2 4.32Å; D318-T322 WeakPolarHBondContact O-CB 3.02Å; D318-T322 WeakPolarHBondContact O-CG2 3.48Å; D318-T322 PolarHBondContact O-N 3Å; D318-T322 VanDerWaalsContact O-N 3.12Å; D318-T322 PolarHBondContact O-OG1 3.18Å; L319-T322 WeakPolarHBondContact CA-OG1 3.31Å; L319-T322 CarbonylContact O-C 3.33Å; L319-T322 PolarHBondContact O-N 3.08Å; L319-T322 PolarHBondContact O-OG1 2.8Å; E320-T322 PolarHBondContact O-N 3.29Å; T322-S326 PolarHBondContact O-N 3.47Å; T322-S326 VanDerWaalsContact O-N 3.17Å; T322-S326 PolarHBondContact O-OG 3.29Å
323	I	98.4	Very high	97.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-71.2	-40.7	-178.8	-52.3	177.6	0	0	0	110.3	F42 L319 S326 V327 V334 L336 L360 F363 L367	F42-I323 HydrophobicContact CE1-CG2 3.91Å; F42-I323 HydrophobicContact CZ-CG2 3.88Å; L319-I323 HydrophobicContact CD2-CD1 3.95Å; L319-I323 PolarHBondContact O-N 3.35Å; I323-S326 WeakPolarHBondContact O-CB 3.24Å; I323-S326 PolarHBondContact O-N 3Å; I323-S326 VanDerWaalsContact O-N 3.15Å; I323-V327 PolarHBondContact O-N 2.76Å; I323-V327 VanDerWaalsContact O-N 3.12Å; I323-V334 HydrophobicContact CG1-CG2 4.5Å; I323-V334 HydrophobicContact CG2-CG1 4.19Å; I323-V334 HydrophobicContact CG2-CG2 4.02Å; I323-L336 HydrophobicContact CD1-CD2 3.92Å; I323-L360 HydrophobicContact CD1-CD1 4.25Å; I323-F363 HydrophobicContact CB-CE1 3.97Å; I323-F363 HydrophobicContact CD1-CE1 4.38Å; I323-F363 HydrophobicContact CG2-CE1 4.2Å; I323-L367 HydrophobicContact CB-CD2 4.39Å; I323-L367 HydrophobicContact CG2-CD2 3.51Å
324	G	97.9	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-62.1	-45.2	177.6	0	0	0	0	0	113.2	L319 E320 S326 V327 S328	L319-G324 PolarHBondContact O-N 3.35Å; E320-G324 CarbonylContact O-C 3.6Å; E320-G324 WeakPolarHBondContact O-CA 3.32Å; E320-G324 PolarHBondContact O-N 3.21Å; G324-S326 VanDerWaalsContact C-N 3.29Å; G324-S326 PolarHBondContact O-N 2.98Å; G324-V327 WeakPolarHBondContact O-CG1 3.4Å; G324-S328 VanDerWaalsContact O-CB 3.25Å; G324-S328 WeakPolarHBondContact O-CB 3.46Å; G324-S328 PolarHBondContact O-N 3.06Å; G324-S328 PolarHBondContact O-OG 2.9Å
325	E	98.1	Very high	97.4	Very high	5 Å²	5	18.8 Å²	18.8	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-38.7	172	-77.6	-64.4	130.2	0	0	111.8	A270 I273 R274 L277 E320 S328 L329 R387	A270-E325 HydrophobicContact CB-CG 4.3Å; I273-E325 HydrophobicContact CG2-CB 4.32Å; R274-E325 IonicContact CZ-OE1 3.26Å; R274-E325 IonicContact CZ-OE2 2.73Å; R274-E325 IonicContact NE-OE2 2.9Å; R274-E325 PolarHBondContact NE-OE2 2.87Å; R274-E325 IonicContact NH2-OE1 2.89Å; R274-E325 PolarHBondContact NH2-OE1 3.12Å; R274-E325 IonicContact NH2-OE2 3.93Å; R274-E325 PolarHBondContact NH2-OE2 3.11Å; L277-E325 HydrophobicContact CD1-CB 4.22Å; E320-E325 PolarHBondContact O-N 2.9Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-L329 WeakPolarHBondContact O-CB 3.38Å; E325-L329 WeakPolarHBondContact O-CG 3.21Å; E325-L329 PolarHBondContact O-N 2.79Å; E325-L329 VanDerWaalsContact O-N 3.08Å; E325-R387 IonicContact OE1-CZ 3.36Å; E325-R387 VanDerWaalsContact OE1-CZ 3.26Å; E325-R387 IonicContact OE1-NH1 3.87Å; E325-R387 PolarHBondContact OE1-NH1 3.2Å; E325-R387 IonicContact OE1-NH2 2.78Å; E325-R387 PolarHBondContact OE1-NH2 3.25Å; E325-R387 IonicContact OE2-CZ 2.95Å; E325-R387 IonicContact OE2-NH1 2.9Å; E325-R387 PolarHBondContact OE2-NH1 3.26Å
326	S	98.3	Very high	97.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.4	-54.6	179.5	-59.2	0	0	0	0	111.9	I257 T322 I323 G324 S328 L329 G330 A331	I257-S326 WeakPolarHBondContact CD1-OG 3.34Å; T322-S326 PolarHBondContact O-N 3.47Å; T322-S326 VanDerWaalsContact O-N 3.17Å; T322-S326 PolarHBondContact O-OG 3.29Å; I323-S326 WeakPolarHBondContact O-CB 3.24Å; I323-S326 PolarHBondContact O-N 3Å; I323-S326 VanDerWaalsContact O-N 3.15Å; G324-S326 VanDerWaalsContact C-N 3.29Å; G324-S326 PolarHBondContact O-N 2.98Å; S326-S328 PolarHBondContact O-N 3.33Å; S326-L329 PolarHBondContact O-N 3.49Å; S326-G330 PolarHBondContact O-N 2.81Å; S326-A331 WeakPolarHBondContact O-CB 3.41Å; S326-A331 PolarHBondContact O-N 3.21Å
327	V	96.4	Very high	97.4	Very high	6 Å²	6	10.9 Å²	10.9	4%	0.036	6%	0.059	C	C	.	.	H	α-helix	trans	-67.4	-38	179.6	69.9	0	0	0	0	111.8	F42 I323 G324 L329 G330 L367 A371 L396	F42-V327 HydrophobicContact CB-CG2 3.71Å; F42-V327 HydrophobicContact CD1-CB 4.19Å; F42-V327 HydrophobicContact CD1-CG2 4.09Å; F42-V327 HydrophobicContact CD2-CB 3.6Å; F42-V327 HydrophobicContact CD2-CG2 3.51Å; F42-V327 HydrophobicContact CE1-CB 4.16Å; F42-V327 HydrophobicContact CE2-CB 3.57Å; F42-V327 HydrophobicContact CE2-CG2 4.05Å; F42-V327 HydrophobicContact CG-CB 3.89Å; F42-V327 HydrophobicContact CG-CG2 3.5Å; F42-V327 HydrophobicContact CZ-CB 3.84Å; I323-V327 PolarHBondContact O-N 2.76Å; I323-V327 VanDerWaalsContact O-N 3.12Å; G324-V327 WeakPolarHBondContact O-CG1 3.4Å; V327-L329 PolarHBondContact O-N 2.04Å; V327-G330 PolarHBondContact O-N 3.47Å; V327-L367 HydrophobicContact CB-CD2 4.48Å; V327-L367 HydrophobicContact CG1-CD1 3.42Å; V327-L367 VanDerWaalsContact CG1-CD1 3.42Å; V327-L367 HydrophobicContact CG1-CD2 3.81Å; V327-L367 HydrophobicContact CG1-CG 3.67Å; V327-A371 HydrophobicContact CG2-CB 3.84Å; V327-L396 HydrophobicContact CB-CD1 4.44Å; V327-L396 HydrophobicContact CG1-CD1 4.1Å; V327-L396 HydrophobicContact CG2-CD1 3.74Å
328	S	97.4	Very high	97.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.1	-27	-177.2	-60.9	0	0	0	0	112.6	G324 E325 S326 G330 A386 R387	G324-S328 VanDerWaalsContact O-CB 3.25Å; G324-S328 WeakPolarHBondContact O-CB 3.46Å; G324-S328 PolarHBondContact O-N 3.06Å; G324-S328 PolarHBondContact O-OG 2.9Å; E325-S328 PolarHBondContact O-N 3.3Å; S326-S328 PolarHBondContact O-N 3.33Å; S328-G330 VanDerWaalsContact C-N 3.34Å; S328-A386 CarbonylContact O-C 3.32Å; S328-A386 WeakPolarHBondContact O-CA 3.23Å; S328-R387 VanDerWaalsContact CB-NE 3.26Å; S328-R387 WeakPolarHBondContact O-CG 3.37Å; S328-R387 PolarHBondContact O-N 3.19Å; S328-R387 PolarHBondContact OG-NH2 3.14Å
329	L	97.1	Very high	97	Very high	12 Å²	12	9.3 Å²	9.3	6%	0.063	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.8	173.8	-70.5	177.3	0	0	0	113.9	R274 L277 L278 L281 E325 S326 V327 P390	R274-L329 HydrophobicContact CB-CD1 4.42Å; R274-L329 HydrophobicContact CG-CD1 4.02Å; L277-L329 HydrophobicContact CB-CD1 3.57Å; L277-L329 HydrophobicContact CD1-CD1 3.74Å; L277-L329 HydrophobicContact CG-CD1 4.34Å; L278-L329 HydrophobicContact CD2-CD2 4.21Å; L278-L329 HydrophobicContact CG-CD1 4.36Å; L281-L329 HydrophobicContact CD1-CB 3.89Å; L281-L329 WeakPolarHBondContact CD1-O 3.41Å; E325-L329 WeakPolarHBondContact O-CB 3.38Å; E325-L329 WeakPolarHBondContact O-CG 3.21Å; E325-L329 PolarHBondContact O-N 2.79Å; E325-L329 VanDerWaalsContact O-N 3.08Å; S326-L329 PolarHBondContact O-N 3.49Å; V327-L329 PolarHBondContact O-N 2.04Å; L329-P390 HydrophobicContact CD2-CB 3.84Å
330	G	94.5	Very high	96.8	Very high	8 Å²	8	16 Å²	16	8%	0.082	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	22	179.1	0	0	0	0	0	114.8	S326 V327 S328 R384	S326-G330 PolarHBondContact O-N 2.81Å; V327-G330 PolarHBondContact O-N 3.47Å; S328-G330 VanDerWaalsContact C-N 3.34Å; G330-R384 WeakPolarHBondContact O-CD 3.42Å
331	A	95.8	Very high	96.7	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.017	9%	0.094	C	C	.	.			trans	-58.6	152.1	167.9	0	0	0	0	0	110.8	S326 G333	S326-A331 WeakPolarHBondContact O-CB 3.41Å; S326-A331 PolarHBondContact O-N 3.21Å; A331-G333 VanDerWaalsContact C-N 3.32Å
332	A	94.8	Very high	96.6	Very high	9 Å²	9	18.1 Å²	18.1	7%	0.074	9%	0.088	C	C	.	.	S	Bend	trans	-74.9	-25.9	179.8	0	0	0	0	0	113.2	F42 V43 P298 V299 L300	F42-A332 WeakPolarHBondContact CA-O 3.42Å; V43-A332 PolarHBondContact N-O 3.1Å; P298-A332 HydrophobicContact CB-CB 3.74Å; V299-A332 PolarHBondContact O-N 2.98Å; L300-A332 HydrophobicContact CD1-CB 4.18Å; L300-A332 HydrophobicContact CG-CB 4.36Å
333	G	96.1	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-162.9	-177.9	0	0	0	0	0	111	F42 V43 P301 A331	F42-G333 VanDerWaalsContact CE2-CA 3.48Å; V43-G333 CarbonylContact O-C 3.51Å; V43-G333 WeakPolarHBondContact O-CA 3.45Å; P301-G333 VanDerWaalsContact CD-O 3.27Å; P301-G333 WeakPolarHBondContact CD-O 3.4Å; A331-G333 VanDerWaalsContact C-N 3.32Å
334	V	98.3	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.3	168.4	-63	0	0	0	0	108.7	F42 V43 V44 V45 P301 I323 L336	F42-V334 HydrophobicContact CE1-CG2 4.49Å; F42-V334 HydrophobicContact CE2-CG1 4.19Å; F42-V334 HydrophobicContact CZ-CB 4.46Å; F42-V334 HydrophobicContact CZ-CG1 3.67Å; F42-V334 HydrophobicContact CZ-CG2 4.18Å; V43-V334 PolarHBondContact O-N 3.42Å; V44-V334 HydrophobicContact CB-CG2 4.27Å; V44-V334 HydrophobicContact CG1-CG2 3.89Å; V44-V334 HydrophobicContact CG2-CG2 4.01Å; V45-V334 PolarHBondContact N-O 3.46Å; P301-V334 HydrophobicContact CG-CG1 3.92Å; P301-V334 WeakPolarHBondContact O-CA 3.4Å; I323-V334 HydrophobicContact CG1-CG2 4.5Å; I323-V334 HydrophobicContact CG2-CG1 4.19Å; I323-V334 HydrophobicContact CG2-CG2 4.02Å; V334-L336 HydrophobicContact CG2-CD2 4.35Å
335	V	98.7	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.6	167.6	-176.1	0	0	0	0	108.2	V45 N47 M81 V134 Y254 L300 P301 Y302 A303	V45-V335 HydrophobicContact CB-CG2 4.42Å; N47-V335 HydrophobicContact CB-CG1 3.56Å; M81-V335 HydrophobicContact CE-CG1 4.12Å; M81-V335 HydrophobicContact SD-CG1 4.32Å; V134-V335 HydrophobicContact CG1-CG2 4.14Å; Y254-V335 HydrophobicContact CD1-CG2 4.33Å; Y254-V335 HydrophobicContact CE1-CG2 4.26Å; L300-V335 HydrophobicContact CB-CG2 4.25Å; P301-V335 PolarHBondContact O-N 3.38Å; Y302-V335 WeakPolarHBondContact CA-O 3.01Å; Y302-V335 HydrophobicContact CD1-CB 4.46Å; Y302-V335 HydrophobicContact CD1-CG1 4.28Å; Y302-V335 HydrophobicContact CD2-CB 3.86Å; Y302-V335 HydrophobicContact CD2-CG1 4.29Å; Y302-V335 HydrophobicContact CD2-CG2 4.24Å; Y302-V335 HydrophobicContact CE1-CB 4.4Å; Y302-V335 HydrophobicContact CE1-CG1 3.82Å; Y302-V335 HydrophobicContact CE2-CB 3.78Å; Y302-V335 HydrophobicContact CE2-CG1 3.83Å; Y302-V335 HydrophobicContact CE2-CG2 3.95Å; Y302-V335 HydrophobicContact CG-CB 4.21Å; A303-V335 PolarHBondContact N-O 3.21Å
336	L	98.6	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	105	176.6	-62.7	179	0	0	0	109.3	V44 V45 W46 N47 M48 A303 L305 I323 V334 L360 I364	V44-L336 HydrophobicContact CG1-CD1 3.43Å; V44-L336 VanDerWaalsContact CG1-CD1 3.43Å; V44-L336 HydrophobicContact CG1-CG 3.78Å; V45-L336 PolarHBondContact O-N 3.47Å; W46-L336 HydrophobicContact CE3-CB 4.14Å; W46-L336 HydrophobicContact CE3-CD1 3.94Å; W46-L336 HydrophobicContact CZ3-CD1 4.02Å; N47-L336 CarbonylContact C-O 3.37Å; N47-L336 WeakPolarHBondContact CA-O 3.35Å; N47-L336 PolarHBondContact N-O 3.43Å; M48-L336 WeakPolarHBondContact CG-O 3.24Å; A303-L336 HydrophobicContact CB-CD2 4.2Å; L305-L336 HydrophobicContact CD2-CD1 3.97Å; L305-L336 HydrophobicContact CD2-CD2 3.96Å; L305-L336 HydrophobicContact CD2-CG 4.45Å; I323-L336 HydrophobicContact CD1-CD2 3.92Å; V334-L336 HydrophobicContact CG2-CD2 4.35Å; L336-L360 HydrophobicContact CD1-CD2 4.27Å; L336-I364 HydrophobicContact CD1-CD1 4.38Å
337	W	98.1	Very high	96.4	Very high	43 Å²	43	41.8 Å²	41.8	16%	0.163	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	152.1	178.9	-178.1	86	0	0	0	112.2	Y85 Y258 Y302 A303 R304 E339	Y85-W337 PolarHBondContact OH-NE1 3.02Å; Y85-W337 VanDerWaalsContact OH-NE1 3.12Å; Y258-W337 HydrophobicContact CE1-CE3 4.43Å; Y258-W337 AromaticContact CE2-CE3 3.84Å; Y258-W337 HydrophobicContact CE2-CE3 3.84Å; Y258-W337 AromaticContact CE2-CZ3 3.95Å; Y258-W337 HydrophobicContact CE2-CZ3 3.95Å; Y258-W337 AromaticContact CZ-CE3 3.56Å; Y258-W337 WeakPolarHBondContact OH-CB 3.03Å; Y302-W337 HydrophobicContact CD1-CB 3.57Å; Y302-W337 HydrophobicContact CD1-CG 4.13Å; Y302-W337 HydrophobicContact CE1-CB 3.75Å; Y302-W337 AromaticContact CE1-CD1 3.97Å; Y302-W337 HydrophobicContact CE1-CG 4.05Å; A303-W337 PolarHBondContact O-N 2.92Å; R304-W337 HydrophobicContact CG-CE3 4.11Å; W337-E339 HydrophobicContact CH2-CB 4.43Å
338	G	94.3	Very high	96.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	21%	0.205	C	C	.	.			trans	-162.7	151.9	179.8	0	0	0	0	0	111.5	P49	P49-G338 WeakPolarHBondContact CD-O 3.24Å
339	E	93.1	Very high	96.5	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.182	21%	0.205	C	C	.	.			trans	-85.7	163.4	178.8	66.7	-160	107.3	0	0	111.9	R304 W337 K341 F342	R304-E339 IonicContact CZ-OE1 2.75Å; R304-E339 IonicContact NH1-OE1 2.72Å; R304-E339 PolarHBondContact NH1-OE1 2.82Å; R304-E339 IonicContact NH2-OE1 2.92Å; R304-E339 PolarHBondContact NH2-OE1 3.37Å; W337-E339 HydrophobicContact CH2-CB 4.43Å; E339-K341 HydrophobicContact CG-CB 3.92Å; E339-K341 HydrophobicContact CG-CD 4.24Å; E339-K341 HydrophobicContact CG-CG 4.07Å; E339-K341 PolarHBondContact O-N 3.34Å; E339-K341 WeakPolarHBondContact OE2-CD 3.49Å; E339-K341 WeakPolarHBondContact OE2-CE 3.26Å; E339-K341 IonicContact OE2-NZ 3.06Å; E339-K341 PolarHBondContact OE2-NZ 3.15Å; E339-F342 HydrophobicContact CG-CD2 4.34Å; E339-F342 HydrophobicContact CG-CE2 4.36Å; E339-F342 WeakPolarHBondContact O-CD2 3.35Å; E339-F342 PolarHBondContact O-N 3.39Å
340	M	93.9	Very high	96.6	Very high	140 Å²	140	45.1 Å²	45.1	69%	0.69	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-56.9	-19.4	-179.4	-68.7	-167.4	-58.9	0	0	114.5	P49 F342 A343 K344	P49-M340 HydrophobicContact CB-CG 4.06Å; P49-M340 HydrophobicContact CG-CB 4.29Å; P49-M340 HydrophobicContact CG-CG 3.66Å; M340-F342 PolarHBondContact O-N 2.74Å; M340-A343 CarbonylContact O-C 3.59Å; M340-A343 PolarHBondContact O-N 3.32Å; M340-K344 PolarHBondContact O-N 3.08Å; M340-K344 VanDerWaalsContact O-N 3.13Å
341	K	95.9	Very high	96.8	Very high	110 Å²	110	48.3 Å²	48.3	48%	0.478	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-58	-31.7	178.9	-63.9	-179.4	-172.4	141.8	0	112.9	L311 E339 A343 K344	L311-K341 HydrophobicContact CD1-CB 4.19Å; L311-K341 HydrophobicContact CD2-CB 3.91Å; E339-K341 HydrophobicContact CG-CB 3.92Å; E339-K341 HydrophobicContact CG-CD 4.24Å; E339-K341 HydrophobicContact CG-CG 4.07Å; E339-K341 PolarHBondContact O-N 3.34Å; E339-K341 WeakPolarHBondContact OE2-CD 3.49Å; E339-K341 WeakPolarHBondContact OE2-CE 3.26Å; E339-K341 IonicContact OE2-NZ 3.06Å; E339-K341 PolarHBondContact OE2-NZ 3.15Å; K341-A343 PolarHBondContact O-N 2.97Å; K341-K344 PolarHBondContact O-N 3.46Å
342	F	95	Very high	96.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.2	-21.9	176	-72.4	-75.2	0	0	0	113.9	M48 A306 L311 F313 E339 M340 Q348 L352	M48-F342 HydrophobicContact CE-CB 3.92Å; M48-F342 HydrophobicContact CE-CD1 4.13Å; M48-F342 HydrophobicContact CE-CD2 3.47Å; M48-F342 VanDerWaalsContact CE-CD2 3.47Å; M48-F342 HydrophobicContact CE-CE2 3.99Å; M48-F342 HydrophobicContact CE-CG 3.57Å; A306-F342 HydrophobicContact CB-CE1 4.09Å; A306-F342 HydrophobicContact CB-CZ 3.67Å; L311-F342 HydrophobicContact CB-CE1 4.38Å; L311-F342 HydrophobicContact CD2-CD1 3.75Å; L311-F342 HydrophobicContact CD2-CD2 3.98Å; L311-F342 HydrophobicContact CD2-CE1 3.54Å; L311-F342 HydrophobicContact CD2-CE2 3.78Å; L311-F342 HydrophobicContact CD2-CG 3.95Å; L311-F342 HydrophobicContact CD2-CZ 3.54Å; F313-F342 HydrophobicContact CD1-CE1 4.24Å; F313-F342 AromaticContact CE1-CD1 3.84Å; F313-F342 HydrophobicContact CE1-CD1 3.84Å; F313-F342 AromaticContact CE1-CE1 3.52Å; F313-F342 HydrophobicContact CE1-CE1 3.52Å; F313-F342 HydrophobicContact CZ-CD1 4.13Å; F313-F342 HydrophobicContact CZ-CE1 4.13Å; E339-F342 HydrophobicContact CG-CD2 4.34Å; E339-F342 HydrophobicContact CG-CE2 4.36Å; E339-F342 WeakPolarHBondContact O-CD2 3.35Å; E339-F342 PolarHBondContact O-N 3.39Å; M340-F342 PolarHBondContact O-N 2.74Å; F342-Q348 CarbonylContact O-C 3.34Å; F342-Q348 WeakPolarHBondContact O-CB 3.16Å; F342-L352 HydrophobicContact CB-CD2 4.3Å; F342-L352 HydrophobicContact CD1-CD1 4.5Å
343	A	95.7	Very high	97.1	Very high	3 Å²	3	52 Å²	52	3%	0.025	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-125.8	22.9	-177.7	0	0	0	0	0	112.5	P49 T50 C53 M340 K341	P49-A343 WeakPolarHBondContact O-CB 3.29Å; T50-A343 HydrophobicContact CG2-CB 4.18Å; C53-A343 VanDerWaalsContact SG-CB 3.57Å; M340-A343 CarbonylContact O-C 3.59Å; M340-A343 PolarHBondContact O-N 3.32Å; K341-A343 PolarHBondContact O-N 2.97Å
344	K	96.1	Very high	97.2	Very high	173 Å²	173	54.9 Å²	54.9	75%	0.752	26%	0.256	S	S	*	.	S	Bend	trans	-76.5	-25.5	-175.8	-174.5	177.6	177.9	-175.2	0	113.1	M340 K341	M340-K344 PolarHBondContact O-N 3.08Å; M340-K344 VanDerWaalsContact O-N 3.13Å; K341-K344 PolarHBondContact O-N 3.46Å
345	S	97.7	Very high	97.2	Very high	45 Å²	45	55.7 Å²	55.7	32%	0.315	26%	0.259	S	S	.	.	S	Bend	trans	-146.4	162.3	-177.9	71.1	0	0	0	0	111.9	K347 Q348 C349	S345-K347 VanDerWaalsContact C-N 3.25Å; S345-K347 PolarHBondContact O-N 2.97Å; S345-Q348 PolarHBondContact O-N 3.02Å; S345-Q348 VanDerWaalsContact O-N 3.12Å; S345-Q348 PolarHBondContact OG-N 2.94Å; S345-C349 PolarHBondContact O-N 3.03Å; S345-C349 PolarHBondContact O-SG 3.41Å
346	K	98.2	Very high	97.2	Very high	129 Å²	129	55.7 Å²	55.7	56%	0.561	26%	0.259	S	S	*	.	H	α-helix	trans	-53.3	-43.6	174	-175.3	173.5	-176.8	-178.5	0	111.7	H57 V59 Q348 C349 V350	H57-K346 HydrophobicContact CB-CB 4Å; H57-K346 HydrophobicContact CB-CG 4.12Å; H57-K346 PolarHBondContact CD2-N 3.2Å; H57-K346 PolarHBondContact NE2-N 3.39Å; V59-K346 HydrophobicContact CG2-CG 4.49Å; K346-Q348 PolarHBondContact O-N 3.06Å; K346-C349 PolarHBondContact O-N 2.81Å; K346-V350 HydrophobicContact CG-CG2 4.48Å; K346-V350 WeakPolarHBondContact O-CG2 3.45Å; K346-V350 PolarHBondContact O-N 2.84Å
347	K	98.3	Very high	97.2	Very high	156 Å²	156	58.9 Å²	58.9	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-58.6	-47.4	177	-177.2	177	180	176.5	0	112	S345 V350 L351	S345-K347 VanDerWaalsContact C-N 3.25Å; S345-K347 PolarHBondContact O-N 2.97Å; K347-V350 PolarHBondContact O-N 3.47Å; K347-L351 HydrophobicContact CG-CD1 4.28Å; K347-L351 WeakPolarHBondContact O-CG 3.47Å; K347-L351 PolarHBondContact O-N 2.94Å
348	Q	98.1	Very high	97.2	Very high	45 Å²	45	61.7 Å²	61.7	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-39.4	179.3	-70.6	-62.4	-30.5	0	0	112	F342 S345 K346 L351 L352	F342-Q348 CarbonylContact O-C 3.34Å; F342-Q348 WeakPolarHBondContact O-CB 3.16Å; S345-Q348 PolarHBondContact O-N 3.02Å; S345-Q348 VanDerWaalsContact O-N 3.12Å; S345-Q348 PolarHBondContact OG-N 2.94Å; K346-Q348 PolarHBondContact O-N 3.06Å; Q348-L351 PolarHBondContact O-N 2.68Å; Q348-L352 WeakPolarHBondContact O-CB 3.32Å; Q348-L352 PolarHBondContact O-N 3.29Å
349	C	98.4	Very high	97.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-41.5	174.6	-71.7	0	0	0	0	113	C53 V59 S345 K346 L352 R353	C53-C349 WeakPolarHBondContact CA-SG 3.39Å; C53-C349 HydrophobicContact CB-CB 3.61Å; C53-C349 WeakPolarHBondContact CB-SG 3.48Å; C53-C349 VanDerWaalsContact SG-CA 3.6Å; C53-C349 WeakPolarHBondContact SG-CB 3.24Å; C53-C349 CovalentContact SG-SG 2.04Å; C53-C349 PolarHBondContact SG-SG 3.49Å; V59-C349 HydrophobicContact CB-CB 3.96Å; V59-C349 HydrophobicContact CG1-CB 4.08Å; V59-C349 HydrophobicContact CG2-CB 4.01Å; S345-C349 PolarHBondContact O-N 3.03Å; S345-C349 PolarHBondContact O-SG 3.41Å; K346-C349 PolarHBondContact O-N 2.81Å; C349-L352 PolarHBondContact O-N 3.4Å; C349-R353 WeakPolarHBondContact O-CB 3.31Å; C349-R353 PolarHBondContact O-N 3.47Å
350	V	98.6	Very high	97.7	Very high	42 Å²	42	62 Å²	62	26%	0.255	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-47.7	175.3	169.6	0	0	0	0	110.5	V59 K346 K347 L352 R353 D354	V59-V350 HydrophobicContact CG2-CG2 3.96Å; K346-V350 HydrophobicContact CG-CG2 4.48Å; K346-V350 WeakPolarHBondContact O-CG2 3.45Å; K346-V350 PolarHBondContact O-N 2.84Å; K347-V350 PolarHBondContact O-N 3.47Å; V350-L352 VanDerWaalsContact C-N 3.3Å; V350-L352 PolarHBondContact O-N 2.89Å; V350-R353 PolarHBondContact O-N 3.04Å; V350-D354 WeakPolarHBondContact CG1-OD2 3.46Å; V350-D354 WeakPolarHBondContact O-CB 3.18Å; V350-D354 PolarHBondContact O-N 2.74Å
351	L	98.6	Very high	97.9	Very high	76 Å²	76	55.3 Å²	55.3	40%	0.398	27%	0.268	S	S	.	.	H	α-helix	trans	-58.4	-41.9	176.4	-71.2	171.6	0	0	0	112.3	F313 K347 Q348 Y355	F313-L351 HydrophobicContact CE2-CB 4.38Å; K347-L351 HydrophobicContact CG-CD1 4.28Å; K347-L351 WeakPolarHBondContact O-CG 3.47Å; K347-L351 PolarHBondContact O-N 2.94Å; Q348-L351 PolarHBondContact O-N 2.68Å; L351-Y355 WeakPolarHBondContact O-CB 3.34Å; L351-Y355 PolarHBondContact O-N 2.91Å
352	L	98.6	Very high	98	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-46.8	176.9	179.8	63.6	0	0	0	111.7	W46 M48 T50 L61 L305 F313 F342 Q348 C349 V350 Y355 I356	W46-L352 HydrophobicContact CH2-CD1 4.43Å; W46-L352 HydrophobicContact CZ2-CD2 4.36Å; M48-L352 HydrophobicContact CE-CD1 4.43Å; T50-L352 HydrophobicContact CG2-CD2 3.66Å; L61-L352 HydrophobicContact CD1-CD2 3.88Å; L61-L352 HydrophobicContact CD2-CD2 4.4Å; L61-L352 HydrophobicContact CD2-CG 4.4Å; L305-L352 HydrophobicContact CD1-CD1 4.14Å; F313-L352 HydrophobicContact CE1-CD1 3.83Å; F313-L352 HydrophobicContact CZ-CB 4.3Å; F313-L352 HydrophobicContact CZ-CD1 3.95Å; F342-L352 HydrophobicContact CB-CD2 4.3Å; F342-L352 HydrophobicContact CD1-CD1 4.5Å; Q348-L352 WeakPolarHBondContact O-CB 3.32Å; Q348-L352 PolarHBondContact O-N 3.29Å; C349-L352 PolarHBondContact O-N 3.4Å; V350-L352 VanDerWaalsContact C-N 3.3Å; V350-L352 PolarHBondContact O-N 2.89Å; L352-Y355 PolarHBondContact O-N 3.36Å; L352-I356 HydrophobicContact CD1-CD1 4.1Å; L352-I356 HydrophobicContact CD1-CG1 4.39Å; L352-I356 HydrophobicContact CG-CD1 3.83Å; L352-I356 WeakPolarHBondContact O-CD1 3.42Å; L352-I356 WeakPolarHBondContact O-CG1 3.45Å; L352-I356 PolarHBondContact O-N 3.38Å
353	R	98.6	Very high	98.2	Very high	87 Å²	87	52.8 Å²	52.8	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-56.7	-51.7	174.9	178.5	-161.7	65.8	-174.7	1.2	110.2	V59 H60 L61 C349 V350 Y355 I356 H357	V59-R353 HydrophobicContact CG1-CB 3.92Å; V59-R353 HydrophobicContact CG1-CG 4.46Å; H60-R353 WeakPolarHBondContact O-CD 3.49Å; H60-R353 VanDerWaalsContact O-CG 3.26Å; H60-R353 WeakPolarHBondContact O-CG 3.28Å; L61-R353 HydrophobicContact CD2-CB 3.84Å; C349-R353 WeakPolarHBondContact O-CB 3.31Å; C349-R353 PolarHBondContact O-N 3.47Å; V350-R353 PolarHBondContact O-N 3.04Å; R353-Y355 VanDerWaalsContact C-N 3.3Å; R353-Y355 PolarHBondContact O-N 3.46Å; R353-I356 WeakPolarHBondContact O-CA 3.5Å; R353-I356 WeakPolarHBondContact O-CB 3.12Å; R353-I356 PolarHBondContact O-N 3.38Å; R353-H357 PolarHBondContact O-CD2 2.92Å; R353-H357 PolarHBondContact O-N 3.33Å
354	D	98.7	Very high	98.2	Very high	61 Å²	61	52.7 Å²	52.7	33%	0.326	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-42.7	-175.2	-62.7	-12.2	0	0	0	110.3	V350 I356 H357 T358	V350-D354 WeakPolarHBondContact CG1-OD2 3.46Å; V350-D354 WeakPolarHBondContact O-CB 3.18Å; V350-D354 PolarHBondContact O-N 2.74Å; D354-I356 PolarHBondContact O-N 2.94Å; D354-H357 PolarHBondContact O-N 3.44Å; D354-T358 WeakPolarHBondContact O-CB 3.28Å; D354-T358 WeakPolarHBondContact O-CG2 3.17Å; D354-T358 PolarHBondContact O-N 2.99Å; D354-T358 PolarHBondContact O-OG1 3.27Å
355	Y	98.8	Very high	98.2	Very high	17 Å²	17	48.7 Å²	48.7	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-39.7	172.8	175.4	-103.2	0	0	0	113.2	L305 F313 L314 L351 L352 R353 V359 L360	L305-Y355 HydrophobicContact CB-CE1 4.07Å; L305-Y355 HydrophobicContact CD1-CE1 4.42Å; L305-Y355 HydrophobicContact CD2-CE1 4.33Å; F313-Y355 HydrophobicContact CB-CD1 4.33Å; F313-Y355 HydrophobicContact CB-CD2 3.62Å; F313-Y355 HydrophobicContact CB-CE1 4.24Å; F313-Y355 HydrophobicContact CB-CE2 3.53Å; F313-Y355 HydrophobicContact CB-CG 4.03Å; F313-Y355 AromaticContact CD1-CD1 3.65Å; F313-Y355 HydrophobicContact CD1-CD1 3.65Å; F313-Y355 HydrophobicContact CD1-CD2 4.4Å; F313-Y355 AromaticContact CD1-CE1 3.85Å; F313-Y355 HydrophobicContact CD1-CE1 3.85Å; F313-Y355 AromaticContact CD1-CG 3.93Å; F313-Y355 HydrophobicContact CD1-CG 3.93Å; F313-Y355 HydrophobicContact CD2-CD1 4.36Å; F313-Y355 HydrophobicContact CD2-CD2 4.04Å; F313-Y355 AromaticContact CD2-CG 3.81Å; F313-Y355 HydrophobicContact CD2-CG 3.81Å; F313-Y355 AromaticContact CE1-CD1 3.97Å; F313-Y355 HydrophobicContact CE1-CD1 3.97Å; F313-Y355 HydrophobicContact CE1-CE1 4.5Å; F313-Y355 HydrophobicContact CE1-CG 4.34Å; F313-Y355 HydrophobicContact CE2-CG 4.22Å; F313-Y355 AromaticContact CG-CD1 3.88Å; F313-Y355 HydrophobicContact CG-CD1 3.88Å; F313-Y355 AromaticContact CG-CD2 3.79Å; F313-Y355 HydrophobicContact CG-CD2 3.79Å; F313-Y355 HydrophobicContact CG-CE1 4.17Å; F313-Y355 HydrophobicContact CG-CE2 4.1Å; F313-Y355 AromaticContact CG-CG 3.66Å; F313-Y355 HydrophobicContact CG-CG 3.66Å; F313-Y355 HydrophobicContact CZ-CD1 4.46Å; F313-Y355 HydrophobicContact CZ-CG 4.48Å; L314-Y355 WeakPolarHBondContact O-CE2 2.78Å; L314-Y355 PolarHBondContact O-OH 2.96Å; L351-Y355 WeakPolarHBondContact O-CB 3.34Å; L351-Y355 PolarHBondContact O-N 2.91Å; L352-Y355 PolarHBondContact O-N 3.36Å; R353-Y355 VanDerWaalsContact C-N 3.3Å; R353-Y355 PolarHBondContact O-N 3.46Å; Y355-V359 HydrophobicContact CD2-CB 3.81Å; Y355-V359 HydrophobicContact CD2-CG1 4.37Å; Y355-V359 HydrophobicContact CD2-CG2 3.98Å; Y355-V359 HydrophobicContact CE2-CB 3.63Å; Y355-V359 HydrophobicContact CE2-CG1 3.69Å; Y355-V359 HydrophobicContact CE2-CG2 4.1Å; Y355-V359 PolarHBondContact O-N 3.08Å; Y355-L360 HydrophobicContact CD1-CB 4.25Å; Y355-L360 HydrophobicContact CE1-CB 3.78Å; Y355-L360 HydrophobicContact CE1-CD2 4.5Å; Y355-L360 PolarHBondContact O-N 2.78Å
356	I	98.6	Very high	98.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-61.3	-49.7	175.2	-70.7	160.8	0	0	0	110.5	W46 L61 L63 F66 L352 R353 D354 L360 G361	W46-I356 HydrophobicContact CH2-CD1 3.84Å; W46-I356 HydrophobicContact CH2-CG1 4.39Å; W46-I356 HydrophobicContact CZ2-CD1 4.33Å; L61-I356 HydrophobicContact CB-CD1 4.04Å; L61-I356 HydrophobicContact CD1-CD1 4.14Å; L61-I356 HydrophobicContact CD2-CD1 4.17Å; L61-I356 HydrophobicContact CG-CD1 4.35Å; L63-I356 HydrophobicContact CD2-CD1 3.84Å; L63-I356 HydrophobicContact CD2-CG2 4.29Å; F66-I356 HydrophobicContact CD2-CG2 3.84Å; F66-I356 HydrophobicContact CE2-CG2 3.7Å; L352-I356 HydrophobicContact CD1-CD1 4.1Å; L352-I356 HydrophobicContact CD1-CG1 4.39Å; L352-I356 HydrophobicContact CG-CD1 3.83Å; L352-I356 WeakPolarHBondContact O-CD1 3.42Å; L352-I356 WeakPolarHBondContact O-CG1 3.45Å; L352-I356 PolarHBondContact O-N 3.38Å; R353-I356 WeakPolarHBondContact O-CA 3.5Å; R353-I356 WeakPolarHBondContact O-CB 3.12Å; R353-I356 PolarHBondContact O-N 3.38Å; D354-I356 PolarHBondContact O-N 2.94Å; I356-L360 HydrophobicContact CG1-CD2 4.14Å; I356-G361 VanDerWaalsContact O-CA 3.26Å; I356-G361 WeakPolarHBondContact O-CA 3.33Å; I356-G361 PolarHBondContact O-N 3.01Å
357	H	98.6	Very high	98	Very high	68 Å²	68	44.1 Å²	44.1	32%	0.315	23%	0.226	S	C	.	.	I	π-helix	trans	-73.4	-30.6	-174.7	-76.2	-111.5	0	0	0	113.2	D62 F66 R353 D354 P362	D62-H357 IonicContact OD2-CE1 3.02Å; D62-H357 PolarHBondContact OD2-CE1 2.84Å; D62-H357 VanDerWaalsContact OD2-CE1 3.3Å; D62-H357 IonicContact OD2-NE2 3.36Å; D62-H357 PolarHBondContact OD2-NE2 3.42Å; F66-H357 HydrophobicContact CZ-CB 4.44Å; F66-H357 AromaticContact CZ-ND1 3.98Å; R353-H357 PolarHBondContact O-CD2 2.92Å; R353-H357 PolarHBondContact O-N 3.33Å; D354-H357 PolarHBondContact O-N 3.44Å; H357-P362 WeakPolarHBondContact O-CD 3.5Å; H357-P362 WeakPolarHBondContact O-CG 3.28Å
358	T	98.4	Very high	97.7	Very high	102 Å²	102	38.3 Å²	38.3	63%	0.626	20%	0.199	S	C	*	.	I	π-helix	trans	-99.6	-25.7	-172.7	60	0	0	0	0	114.3	D354	D354-T358 WeakPolarHBondContact O-CB 3.28Å; D354-T358 WeakPolarHBondContact O-CG2 3.17Å; D354-T358 PolarHBondContact O-N 2.99Å; D354-T358 PolarHBondContact O-OG1 3.27Å
359	V	98.6	Very high	97.5	Very high	46 Å²	46	39 Å²	39	28%	0.279	21%	0.213	S	C	.	.	I	π-helix	trans	-125.6	-65.5	-175.1	-174.7	0	0	0	0	111.5	L319 Y355 G361 F363	L319-V359 HydrophobicContact CD1-CG1 4Å; Y355-V359 HydrophobicContact CD2-CB 3.81Å; Y355-V359 HydrophobicContact CD2-CG1 4.37Å; Y355-V359 HydrophobicContact CD2-CG2 3.98Å; Y355-V359 HydrophobicContact CE2-CB 3.63Å; Y355-V359 HydrophobicContact CE2-CG1 3.69Å; Y355-V359 HydrophobicContact CE2-CG2 4.1Å; Y355-V359 PolarHBondContact O-N 3.08Å; V359-G361 PolarHBondContact O-N 2.84Å; V359-F363 VanDerWaalsContact O-CB 3.24Å; V359-F363 WeakPolarHBondContact O-CB 3.19Å; V359-F363 PolarHBondContact O-N 2.9Å; V359-F363 VanDerWaalsContact O-N 3.14Å
360	L	98.6	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-65.9	-45.8	-169.2	177.3	69.8	0	0	0	112.6	W46 I68 L305 L319 I323 L336 Y355 I356 F363 I364	W46-L360 HydrophobicContact CZ3-CD2 4.19Å; I68-L360 HydrophobicContact CD1-CD2 4.28Å; L305-L360 HydrophobicContact CD1-CD2 3.78Å; L305-L360 HydrophobicContact CD2-CD1 3.46Å; L305-L360 VanDerWaalsContact CD2-CD1 3.46Å; L305-L360 HydrophobicContact CD2-CD2 3.37Å; L305-L360 HydrophobicContact CD2-CG 3.98Å; L305-L360 HydrophobicContact CG-CD2 4.21Å; L319-L360 HydrophobicContact CD1-CD1 4.28Å; L319-L360 HydrophobicContact CD2-CD1 4.1Å; I323-L360 HydrophobicContact CD1-CD1 4.25Å; L336-L360 HydrophobicContact CD1-CD2 4.27Å; Y355-L360 HydrophobicContact CD1-CB 4.25Å; Y355-L360 HydrophobicContact CE1-CB 3.78Å; Y355-L360 HydrophobicContact CE1-CD2 4.5Å; Y355-L360 PolarHBondContact O-N 2.78Å; I356-L360 HydrophobicContact CG1-CD2 4.14Å; L360-F363 PolarHBondContact O-N 3.49Å; L360-I364 HydrophobicContact CD1-CD1 3.66Å; L360-I364 HydrophobicContact CD1-CG1 4.14Å; L360-I364 HydrophobicContact CD2-CD1 4.24Å; L360-I364 HydrophobicContact CG-CD1 3.66Å; L360-I364 HydrophobicContact CG-CG1 4.4Å; L360-I364 WeakPolarHBondContact O-CB 3.29Å; L360-I364 VanDerWaalsContact O-CG1 3.3Å; L360-I364 WeakPolarHBondContact O-CG1 3.37Å; L360-I364 PolarHBondContact O-N 3.46Å
361	G	98.4	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-56.9	-176.3	0	0	0	0	0	112.4	I356 V359 F363 I364 Q365	I356-G361 VanDerWaalsContact O-CA 3.26Å; I356-G361 WeakPolarHBondContact O-CA 3.33Å; I356-G361 PolarHBondContact O-N 3.01Å; V359-G361 PolarHBondContact O-N 2.84Å; G361-F363 VanDerWaalsContact C-N 3.29Å; G361-F363 PolarHBondContact O-N 2.73Å; G361-I364 PolarHBondContact O-N 2.92Å; G361-Q365 WeakPolarHBondContact O-CG 3.35Å; G361-Q365 PolarHBondContact O-N 3.48Å
362	P	97.9	Very high	96.9	Very high	49 Å²	49	36.1 Å²	36.1	32%	0.318	20%	0.202	S	C	.	.	H	α-helix	trans	-56.1	-40.9	173.9	-27.4	35.8	0	0	0	113.3	H357 Q365 T366	H357-P362 WeakPolarHBondContact O-CD 3.5Å; H357-P362 WeakPolarHBondContact O-CG 3.28Å; P362-Q365 PolarHBondContact O-N 3.06Å; P362-T366 WeakPolarHBondContact O-CB 3.41Å; P362-T366 PolarHBondContact O-N 3.06Å; P362-T366 PolarHBondContact O-OG1 3.02Å
363	F	97.9	Very high	96.7	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.039	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.6	173.8	-92.7	0	0	0	111.8	E316 L319 E320 I323 V359 L360 G361 Q365 T366 L367	E316-F363 HydrophobicContact CG-CD2 3.87Å; E316-F363 HydrophobicContact CG-CE2 4.38Å; L319-F363 HydrophobicContact CB-CD1 4.01Å; L319-F363 HydrophobicContact CB-CD2 4.24Å; L319-F363 HydrophobicContact CB-CE1 3.77Å; L319-F363 HydrophobicContact CB-CE2 3.99Å; L319-F363 HydrophobicContact CB-CG 4.25Å; L319-F363 HydrophobicContact CB-CZ 3.75Å; L319-F363 HydrophobicContact CD1-CB 4.25Å; L319-F363 HydrophobicContact CD1-CD1 4.03Å; L319-F363 HydrophobicContact CD1-CG 4.02Å; E320-F363 HydrophobicContact CB-CE2 4.4Å; I323-F363 HydrophobicContact CB-CE1 3.97Å; I323-F363 HydrophobicContact CD1-CE1 4.38Å; I323-F363 HydrophobicContact CG2-CE1 4.2Å; V359-F363 VanDerWaalsContact O-CB 3.24Å; V359-F363 WeakPolarHBondContact O-CB 3.19Å; V359-F363 PolarHBondContact O-N 2.9Å; V359-F363 VanDerWaalsContact O-N 3.14Å; L360-F363 PolarHBondContact O-N 3.49Å; G361-F363 VanDerWaalsContact C-N 3.29Å; G361-F363 PolarHBondContact O-N 2.73Å; F363-Q365 PolarHBondContact O-N 3.43Å; F363-T366 PolarHBondContact O-N 3.16Å; F363-L367 HydrophobicContact CE1-CD2 3.99Å; F363-L367 HydrophobicContact CZ-CD2 4.27Å; F363-L367 VanDerWaalsContact O-CB 3.31Å; F363-L367 WeakPolarHBondContact O-CB 3.43Å; F363-L367 PolarHBondContact O-N 3.2Å
364	I	97.6	Very high	96.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-42.2	179.2	-73.9	170.3	0	0	0	111.6	V44 I68 L336 L360 G361 L367 R368	V44-I364 HydrophobicContact CB-CD1 4.49Å; V44-I364 HydrophobicContact CG1-CD1 3.91Å; V44-I364 HydrophobicContact CG2-CD1 4.38Å; V44-I364 HydrophobicContact CG2-CG1 4.38Å; V44-I364 HydrophobicContact CG2-CG2 3.99Å; I68-I364 HydrophobicContact CD1-CD1 3.61Å; I68-I364 HydrophobicContact CG1-CD1 3.71Å; I68-I364 HydrophobicContact CG1-CG2 4.38Å; L336-I364 HydrophobicContact CD1-CD1 4.38Å; L360-I364 HydrophobicContact CD1-CD1 3.66Å; L360-I364 HydrophobicContact CD1-CG1 4.14Å; L360-I364 HydrophobicContact CD2-CD1 4.24Å; L360-I364 HydrophobicContact CG-CD1 3.66Å; L360-I364 HydrophobicContact CG-CG1 4.4Å; L360-I364 WeakPolarHBondContact O-CB 3.29Å; L360-I364 VanDerWaalsContact O-CG1 3.3Å; L360-I364 WeakPolarHBondContact O-CG1 3.37Å; L360-I364 PolarHBondContact O-N 3.46Å; G361-I364 PolarHBondContact O-N 2.92Å; I364-L367 PolarHBondContact O-N 2.9Å; I364-R368 HydrophobicContact CG2-CG 4.2Å; I364-R368 VanDerWaalsContact O-CB 3.31Å; I364-R368 WeakPolarHBondContact O-CB 3.37Å; I364-R368 VanDerWaalsContact O-CG 3.25Å; I364-R368 WeakPolarHBondContact O-CG 3.41Å; I364-R368 PolarHBondContact O-N 3.15Å
365	Q	95.4	Very high	96.3	Very high	90 Å²	90	31.8 Å²	31.8	42%	0.421	18%	0.182	S	C	.	.	H	α-helix	trans	-59.7	-49.1	177.4	-75.2	178.2	-19.5	0	0	110.8	D65 F66 G361 P362 F363 L367 R368 A369	D65-Q365 PolarHBondContact O-NE2 3.05Å; F66-Q365 HydrophobicContact CB-CG 4.42Å; F66-Q365 HydrophobicContact CD1-CG 4.22Å; G361-Q365 WeakPolarHBondContact O-CG 3.35Å; G361-Q365 PolarHBondContact O-N 3.48Å; P362-Q365 PolarHBondContact O-N 3.06Å; F363-Q365 PolarHBondContact O-N 3.43Å; Q365-L367 PolarHBondContact O-N 2.89Å; Q365-R368 PolarHBondContact O-N 3.3Å; Q365-A369 WeakPolarHBondContact O-CB 3.28Å; Q365-A369 PolarHBondContact O-N 3.29Å
366	T	95.2	Very high	96.1	Very high	77 Å²	77	36.2 Å²	36.2	47%	0.472	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-47.9	177.4	-58.5	0	0	0	0	111.4	P362 F363 R368 A369 G370	P362-T366 WeakPolarHBondContact O-CB 3.41Å; P362-T366 PolarHBondContact O-N 3.06Å; P362-T366 PolarHBondContact O-OG1 3.02Å; F363-T366 PolarHBondContact O-N 3.16Å; T366-R368 PolarHBondContact O-N 2.7Å; T366-A369 PolarHBondContact O-N 3.47Å; T366-G370 PolarHBondContact O-N 3.31Å
367	L	95.2	Very high	95.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-44.4	-179.2	-168.8	68.9	0	0	0	112.3	F42 I323 V327 F363 I364 Q365 G370 A371 S397	F42-L367 HydrophobicContact CE1-CD2 3.94Å; I323-L367 HydrophobicContact CB-CD2 4.39Å; I323-L367 HydrophobicContact CG2-CD2 3.51Å; V327-L367 HydrophobicContact CB-CD2 4.48Å; V327-L367 HydrophobicContact CG1-CD1 3.42Å; V327-L367 VanDerWaalsContact CG1-CD1 3.42Å; V327-L367 HydrophobicContact CG1-CD2 3.81Å; V327-L367 HydrophobicContact CG1-CG 3.67Å; F363-L367 HydrophobicContact CE1-CD2 3.99Å; F363-L367 HydrophobicContact CZ-CD2 4.27Å; F363-L367 VanDerWaalsContact O-CB 3.31Å; F363-L367 WeakPolarHBondContact O-CB 3.43Å; F363-L367 PolarHBondContact O-N 3.2Å; I364-L367 PolarHBondContact O-N 2.9Å; Q365-L367 PolarHBondContact O-N 2.89Å; L367-G370 PolarHBondContact O-N 2.81Å; L367-A371 PolarHBondContact O-N 2.8Å; L367-S397 WeakPolarHBondContact CA-OG 3.47Å; L367-S397 VanDerWaalsContact CD1-OG 3.28Å; L367-S397 WeakPolarHBondContact CD1-OG 3.45Å
368	R	93.6	Very high	95.7	Very high	33 Å²	33	36.4 Å²	36.4	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-70.3	-36	179.6	-72.2	179.1	60.9	-121.2	-27.1	112.1	F42 F66 G67 I364 Q365 T366 A371 S372	F42-R368 HydrophobicContact CD1-CG 4.35Å; F66-R368 PolarHBondContact O-NH1 3.08Å; G67-R368 VanDerWaalsContact CA-NH1 3.28Å; G67-R368 PolarHBondContact O-NH1 2.97Å; I364-R368 HydrophobicContact CG2-CG 4.2Å; I364-R368 VanDerWaalsContact O-CB 3.31Å; I364-R368 WeakPolarHBondContact O-CB 3.37Å; I364-R368 VanDerWaalsContact O-CG 3.25Å; I364-R368 WeakPolarHBondContact O-CG 3.41Å; I364-R368 PolarHBondContact O-N 3.15Å; Q365-R368 PolarHBondContact O-N 3.3Å; T366-R368 PolarHBondContact O-N 2.7Å; R368-A371 PolarHBondContact O-N 3.45Å; R368-S372 WeakPolarHBondContact O-CB 3.22Å; R368-S372 PolarHBondContact O-N 3.14Å; R368-S372 PolarHBondContact O-OG 2.87Å
369	A	93.3	Very high	95.5	Very high	60 Å²	60	31.5 Å²	31.5	50%	0.496	18%	0.177	S	C	.	.	H	α-helix	trans	-62.4	-46.2	172.1	0	0	0	0	0	110.8	Q365 T366 A371 S372 R373	Q365-A369 WeakPolarHBondContact O-CB 3.28Å; Q365-A369 PolarHBondContact O-N 3.29Å; T366-A369 PolarHBondContact O-N 3.47Å; A369-A371 PolarHBondContact O-N 3.37Å; A369-S372 PolarHBondContact O-N 3.04Å; A369-R373 WeakPolarHBondContact O-CB 3.25Å; A369-R373 PolarHBondContact O-N 3.06Å
370	G	94.3	Very high	95.2	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-45.4	175	0	0	0	0	0	113	T366 L367 R373 C374	T366-G370 PolarHBondContact O-N 3.31Å; L367-G370 PolarHBondContact O-N 2.81Å; G370-R373 PolarHBondContact O-N 3.4Å; G370-C374 WeakPolarHBondContact O-CB 3.31Å; G370-C374 PolarHBondContact O-N 2.92Å
371	A	94.8	Very high	94.9	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-41.5	176.7	0	0	0	0	0	113	P41 F42 V327 L367 R368 A369 S375 L396	P41-A371 HydrophobicContact CG-CB 4.29Å; F42-A371 HydrophobicContact CB-CB 4.3Å; V327-A371 HydrophobicContact CG2-CB 3.84Å; L367-A371 PolarHBondContact O-N 2.8Å; R368-A371 PolarHBondContact O-N 3.45Å; A369-A371 PolarHBondContact O-N 3.37Å; A371-S375 WeakPolarHBondContact O-CB 3.11Å; A371-S375 PolarHBondContact O-N 3.03Å; A371-L396 HydrophobicContact CB-CD1 4.18Å
372	S	93.4	Very high	94.7	Very high	51 Å²	51	41.2 Å²	41.2	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-68.2	-44.4	178.5	-54.2	0	0	0	0	111.5	R368 A369 C374 S375 L376	R368-S372 WeakPolarHBondContact O-CB 3.22Å; R368-S372 PolarHBondContact O-N 3.14Å; R368-S372 PolarHBondContact O-OG 2.87Å; A369-S372 PolarHBondContact O-N 3.04Å; S372-C374 PolarHBondContact O-N 2.82Å; S372-S375 PolarHBondContact O-N 2.82Å; S372-L376 WeakPolarHBondContact O-CB 3.35Å; S372-L376 PolarHBondContact O-N 3.49Å
373	R	94.2	Very high	94.4	Very high	53 Å²	53	38.9 Å²	38.9	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176	-171.4	176	56.1	-158.9	0.4	111.5	A369 G370 L376 Q377 A399 F416	A369-R373 WeakPolarHBondContact O-CB 3.25Å; A369-R373 PolarHBondContact O-N 3.06Å; G370-R373 PolarHBondContact O-N 3.4Å; R373-L376 PolarHBondContact O-N 3.45Å; R373-Q377 HydrophobicContact CG-CG 4.15Å; R373-Q377 VanDerWaalsContact O-CB 3.29Å; R373-Q377 WeakPolarHBondContact O-CB 3.38Å; R373-Q377 WeakPolarHBondContact O-CG 3.48Å; R373-Q377 PolarHBondContact O-N 2.86Å; R373-A399 PolarHBondContact NH2-O 3.4Å; R373-F416 HydrophobicContact CB-CE2 4.34Å; R373-F416 HydrophobicContact CG-CE2 3.95Å
374	C	95.4	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-44	176.3	-169.3	0	0	0	0	111.9	G370 S372 L376 L378 C385 L396 F416	G370-C374 WeakPolarHBondContact O-CB 3.31Å; G370-C374 PolarHBondContact O-N 2.92Å; S372-C374 PolarHBondContact O-N 2.82Å; C374-L376 VanDerWaalsContact C-N 3.31Å; C374-L376 PolarHBondContact O-N 2.96Å; C374-L378 WeakPolarHBondContact O-CA 3.42Å; C374-L378 WeakPolarHBondContact O-CB 3.47Å; C374-L378 PolarHBondContact O-N 3.47Å; C374-C385 HydrophobicContact CB-CB 3.85Å; C374-C385 WeakPolarHBondContact CB-SG 2.99Å; C374-C385 PolarHBondContact O-SG 2.64Å; C374-C385 VanDerWaalsContact O-SG 3.35Å; C374-C385 WeakPolarHBondContact SG-CB 3.45Å; C374-C385 CovalentContact SG-SG 2.02Å; C374-C385 PolarHBondContact SG-SG 3.16Å; C374-L396 HydrophobicContact CB-CD2 3.61Å; C374-F416 HydrophobicContact CB-CD1 3.77Å; C374-F416 HydrophobicContact CB-CD2 4.12Å; C374-F416 HydrophobicContact CB-CE1 3.65Å; C374-F416 HydrophobicContact CB-CE2 4.02Å; C374-F416 HydrophobicContact CB-CG 4.01Å; C374-F416 HydrophobicContact CB-CZ 3.78Å; C374-F416 WeakPolarHBondContact SG-CD1 3.39Å
375	S	94.8	Very high	94	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-45.5	175.6	-176.5	0	0	0	0	111.4	A371 S372 C379 Y380 S381 G383	A371-S375 WeakPolarHBondContact O-CB 3.11Å; A371-S375 PolarHBondContact O-N 3.03Å; S372-S375 PolarHBondContact O-N 2.82Å; S375-C379 CarbonylContact O-C 3.56Å; S375-C379 VanDerWaalsContact O-CA 3.23Å; S375-C379 WeakPolarHBondContact O-CA 3.24Å; S375-C379 VanDerWaalsContact O-CB 3.29Å; S375-C379 WeakPolarHBondContact O-CB 3.39Å; S375-C379 PolarHBondContact O-N 3.46Å; S375-Y380 PolarHBondContact O-N 2.03Å; S375-Y380 VanDerWaalsContact O-N 3.16Å; S375-S381 PolarHBondContact O-N 2.94Å; S375-G383 WeakPolarHBondContact CB-O 3.24Å; S375-G383 PolarHBondContact OG-O 2.03Å
376	L	93.5	Very high	94.1	Very high	109 Å²	109	35.2 Å²	35.2	57%	0.571	19%	0.189	S	C	*	.	H	α-helix	trans	-66.3	-55.8	177.8	179.7	64.8	0	0	0	112.4	S372 R373 C374 Y380 S381	S372-L376 WeakPolarHBondContact O-CB 3.35Å; S372-L376 PolarHBondContact O-N 3.49Å; R373-L376 PolarHBondContact O-N 3.45Å; C374-L376 VanDerWaalsContact C-N 3.31Å; C374-L376 PolarHBondContact O-N 2.96Å; L376-Y380 PolarHBondContact O-N 2.93Å; L376-S381 WeakPolarHBondContact CD1-OG 3.32Å
377	Q	93.7	Very high	94.2	Very high	66 Å²	66	31.7 Å²	31.7	31%	0.308	17%	0.167	S	C	.	.	H	α-helix	trans	-74.3	-34.2	-170.9	-69	-178.5	-18.7	0	0	113.5	R373 S410 S412 S413 F416	R373-Q377 HydrophobicContact CG-CG 4.15Å; R373-Q377 VanDerWaalsContact O-CB 3.29Å; R373-Q377 WeakPolarHBondContact O-CB 3.38Å; R373-Q377 WeakPolarHBondContact O-CG 3.48Å; R373-Q377 PolarHBondContact O-N 2.86Å; Q377-S410 PolarHBondContact NE2-OG 3.49Å; Q377-S412 PolarHBondContact NE2-OG 3.45Å; Q377-S412 VanDerWaalsContact NE2-OG 3.15Å; Q377-S412 PolarHBondContact OE1-OG 2.92Å; Q377-S413 PolarHBondContact OE1-OG 3.29Å; Q377-F416 HydrophobicContact CB-CD2 4.48Å
378	L	94.9	Very high	94.2	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-101	-34.1	-176.1	-166.4	66.8	0	0	0	112.7	C374 F416 Q417 F420 C422 W432	C374-L378 WeakPolarHBondContact O-CA 3.42Å; C374-L378 WeakPolarHBondContact O-CB 3.47Å; C374-L378 PolarHBondContact O-N 3.47Å; L378-F416 HydrophobicContact CB-CB 4.39Å; L378-F416 HydrophobicContact CD2-CB 4.31Å; L378-Q417 HydrophobicContact CD1-CB 4.22Å; L378-Q417 HydrophobicContact CD1-CG 3.53Å; L378-F420 HydrophobicContact CD2-CB 3.85Å; L378-C422 VanDerWaalsContact C-SG 3.53Å; L378-C422 PolarHBondContact O-SG 3.03Å; L378-W432 HydrophobicContact CD1-CE3 3.71Å; L378-W432 HydrophobicContact CD1-CH2 4.15Å; L378-W432 HydrophobicContact CD1-CZ3 3.35Å; L378-W432 HydrophobicContact CD2-CZ3 4.38Å; L378-W432 HydrophobicContact CG-CE3 3.92Å; L378-W432 HydrophobicContact CG-CZ3 3.86Å; L378-W432 WeakPolarHBondContact O-CB 3.47Å
379	C	94.6	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-119.5	14.4	-167.4	-50.1	0	0	0	0	114	S375 S381 H382 G383 C422 W432	S375-C379 CarbonylContact O-C 3.56Å; S375-C379 VanDerWaalsContact O-CA 3.23Å; S375-C379 WeakPolarHBondContact O-CA 3.24Å; S375-C379 VanDerWaalsContact O-CB 3.29Å; S375-C379 WeakPolarHBondContact O-CB 3.39Å; S375-C379 PolarHBondContact O-N 3.46Å; C379-S381 PolarHBondContact O-N 2.86Å; C379-H382 WeakPolarHBondContact O-CA 3.5Å; C379-H382 PolarHBondContact O-N 2.78Å; C379-G383 WeakPolarHBondContact CB-O 3.23Å; C379-G383 PolarHBondContact O-N 3.49Å; C379-C422 WeakPolarHBondContact CA-SG 3.39Å; C379-C422 HydrophobicContact CB-CB 3.83Å; C379-C422 WeakPolarHBondContact CB-SG 3.42Å; C379-C422 WeakPolarHBondContact SG-CA 3.44Å; C379-C422 WeakPolarHBondContact SG-CB 3.47Å; C379-C422 CovalentContact SG-SG 2.03Å; C379-C422 PolarHBondContact SG-SG 3.46Å; C379-W432 CarbonylContact C-O 3.57Å; C379-W432 VanDerWaalsContact C-O 3.24Å; C379-W432 VanDerWaalsContact CA-O 3.23Å; C379-W432 WeakPolarHBondContact CA-O 3.38Å
380	Y	93.1	Very high	94.3	Very high	134 Å²	134	43.1 Å²	43.1	53%	0.525	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.9	-179.9	-67.1	-98.3	0	0	0	113.9	S375 L376 H382 W432 Q434	S375-Y380 PolarHBondContact O-N 2.03Å; S375-Y380 VanDerWaalsContact O-N 3.16Å; L376-Y380 PolarHBondContact O-N 2.93Å; Y380-H382 PolarHBondContact O-CD2 3.35Å; Y380-H382 VanDerWaalsContact O-CG 3.28Å; Y380-H382 PolarHBondContact O-N 2.02Å; Y380-H382 PolarHBondContact O-NE2 3Å; Y380-W432 HydrophobicContact CD2-CB 4.05Å; Y380-W432 WeakPolarHBondContact CD2-O 3.33Å; Y380-W432 HydrophobicContact CE2-CB 3.84Å; Y380-Q434 HydrophobicContact CD2-CB 3.83Å; Y380-Q434 HydrophobicContact CE2-CB 3.82Å; Y380-Q434 HydrophobicContact CG-CB 4.3Å
381	S	92.6	Very high	94.2	Very high	60 Å²	60	48.8 Å²	48.8	42%	0.42	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	11	-170.9	-61.4	0	0	0	0	114.8	S375 L376 C379	S375-S381 PolarHBondContact O-N 2.94Å; L376-S381 WeakPolarHBondContact CD1-OG 3.32Å; C379-S381 PolarHBondContact O-N 2.86Å
382	H	92.4	Very high	94.1	Very high	56 Å²	56	50.7 Å²	50.7	26%	0.259	25%	0.246	S	C	.	.	S	Bend	trans	-106.5	11	-178	-62.2	-33	0	0	0	112.6	C379 Y380 C424 Y425 W428 C433	C379-H382 WeakPolarHBondContact O-CA 3.5Å; C379-H382 PolarHBondContact O-N 2.78Å; Y380-H382 PolarHBondContact O-CD2 3.35Å; Y380-H382 VanDerWaalsContact O-CG 3.28Å; Y380-H382 PolarHBondContact O-N 2.02Å; Y380-H382 PolarHBondContact O-NE2 3Å; H382-C424 WeakPolarHBondContact O-CA 3.01Å; H382-Y425 WeakPolarHBondContact O-CD2 3.23Å; H382-Y425 PolarHBondContact O-N 3.46Å; H382-W428 HydrophobicContact CB-CB 4.04Å; H382-W428 HydrophobicContact CB-CD2 3.51Å; H382-W428 HydrophobicContact CB-CE3 3.9Å; H382-W428 HydrophobicContact CB-CG 3.56Å; H382-W428 AromaticContact CD2-CD2 3.71Å; H382-W428 AromaticContact CD2-CE2 3.78Å; H382-W428 AromaticContact CD2-CE3 3.43Å; H382-W428 VanDerWaalsContact CD2-CE3 3.43Å; H382-W428 AromaticContact CD2-CH2 3.35Å; H382-W428 WeakPolarHBondContact CD2-CH2 3.31Å; H382-W428 AromaticContact CD2-CZ2 3.63Å; H382-W428 AromaticContact CD2-CZ3 3.24Å; H382-W428 WeakPolarHBondContact CD2-CZ3 3.46Å; H382-W428 AromaticContact CE1-CE2 3.73Å; H382-W428 AromaticContact CE1-CH2 3.51Å; H382-W428 AromaticContact CE1-CZ2 3.24Å; H382-W428 WeakPolarHBondContact CE1-CZ2 3.28Å; H382-W428 AromaticContact CG-CD2 3.4Å; H382-W428 AromaticContact CG-CE2 3.38Å; H382-W428 AromaticContact CG-CE3 3.63Å; H382-W428 AromaticContact CG-CG 3.97Å; H382-W428 AromaticContact CG-CH2 3.86Å; H382-W428 AromaticContact CG-CZ2 3.64Å; H382-W428 AromaticContact CG-CZ3 3.85Å; H382-W428 AromaticContact CG-NE1 3.88Å; H382-W428 AromaticContact ND1-CD2 3.9Å; H382-W428 AromaticContact ND1-CE2 3.35Å; H382-W428 VanDerWaalsContact ND1-CE2 3.35Å; H382-W428 AromaticContact ND1-CH2 3.93Å; H382-W428 AromaticContact ND1-CZ2 3.39Å; H382-W428 WeakPolarHBondContact ND1-CZ2 3.31Å; H382-W428 AromaticContact ND1-NE1 3.65Å; H382-W428 AromaticContact NE2-CE2 3.98Å; H382-W428 AromaticContact NE2-CH2 3.11Å; H382-W428 WeakPolarHBondContact NE2-CH2 3.46Å; H382-W428 AromaticContact NE2-CZ2 3.39Å; H382-W428 WeakPolarHBondContact NE2-CZ2 3.47Å; H382-W428 AromaticContact NE2-CZ3 3.52Å; H382-C433 HydrophobicContact CB-CB 3.82Å; H382-C433 VanDerWaalsContact CB-O 3.32Å; H382-C433 WeakPolarHBondContact CB-O 3.29Å; H382-C433 WeakPolarHBondContact O-CB 3.08Å
383	G	92.3	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	169	172.7	0	0	0	0	0	111.8	S375 C379 R423	S375-G383 WeakPolarHBondContact CB-O 3.24Å; S375-G383 PolarHBondContact OG-O 2.03Å; C379-G383 WeakPolarHBondContact CB-O 3.23Å; C379-G383 PolarHBondContact O-N 3.49Å; G383-R423 CarbonylContact C-O 3.51Å; G383-R423 WeakPolarHBondContact CA-O 3.31Å
384	R	93	Very high	93.9	Very high	13 Å²	13	53.5 Å²	53.5	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	152.5	170.8	65.3	-172.3	64.3	175.3	-4	110.8	A32 A33 G34 P41 G330 C422 R423 Y425	A32-R384 HydrophobicContact CB-CG 4.44Å; A33-R384 PolarHBondContact O-NH2 3.37Å; G34-R384 PolarHBondContact O-NH2 2.8Å; P41-R384 HydrophobicContact CB-CB 4.45Å; G330-R384 WeakPolarHBondContact O-CD 3.42Å; R384-C422 CarbonylContact O-C 3.57Å; R384-R423 HydrophobicContact CG-CB 3.88Å; R384-R423 PolarHBondContact N-O 2.87Å; R384-R423 PolarHBondContact O-N 2.77Å; R384-Y425 HydrophobicContact CB-CE1 4.32Å
385	C	95.3	Very high	93.8	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.7	173.8	-69.3	0	0	0	0	111.8	C374 L396 F420 R421	C374-C385 HydrophobicContact CB-CB 3.85Å; C374-C385 WeakPolarHBondContact CB-SG 2.99Å; C374-C385 PolarHBondContact O-SG 2.64Å; C374-C385 VanDerWaalsContact O-SG 3.35Å; C374-C385 WeakPolarHBondContact SG-CB 3.45Å; C374-C385 CovalentContact SG-SG 2.02Å; C374-C385 PolarHBondContact SG-SG 3.16Å; C385-L396 HydrophobicContact CB-CD2 4Å; C385-F420 HydrophobicContact CB-CB 4.22Å; C385-F420 HydrophobicContact CB-CD1 4.1Å; C385-F420 HydrophobicContact CB-CG 4.44Å; C385-R421 CarbonylContact C-O 3.59Å; C385-R421 WeakPolarHBondContact CA-O 3.49Å
386	A	96.3	Very high	93.6	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.8	167.8	0	0	0	0	0	109	S328 R388 F420 R421 R423	S328-A386 CarbonylContact O-C 3.32Å; S328-A386 WeakPolarHBondContact O-CA 3.23Å; A386-R388 PolarHBondContact O-N 3.47Å; A386-F420 CarbonylContact O-C 3.54Å; A386-F420 WeakPolarHBondContact O-CA 3.29Å; A386-R421 PolarHBondContact N-O 2.82Å; A386-R421 VanDerWaalsContact O-CG 3.31Å; A386-R421 WeakPolarHBondContact O-CG 3.01Å; A386-R421 PolarHBondContact O-N 3.34Å; A386-R423 HydrophobicContact CB-CG 3.9Å
387	R	96.8	Very high	93.3	Very high	3 Å²	3	50 Å²	50	1%	0.011	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	135.3	176.1	-77.3	174.6	-171.9	166.1	5.3	110.3	E325 S328 R394 F420	E325-R387 IonicContact OE1-CZ 3.36Å; E325-R387 VanDerWaalsContact OE1-CZ 3.26Å; E325-R387 IonicContact OE1-NH1 3.87Å; E325-R387 PolarHBondContact OE1-NH1 3.2Å; E325-R387 IonicContact OE1-NH2 2.78Å; E325-R387 PolarHBondContact OE1-NH2 3.25Å; E325-R387 IonicContact OE2-CZ 2.95Å; E325-R387 IonicContact OE2-NH1 2.9Å; E325-R387 PolarHBondContact OE2-NH1 3.26Å; S328-R387 VanDerWaalsContact CB-NE 3.26Å; S328-R387 WeakPolarHBondContact O-CG 3.37Å; S328-R387 PolarHBondContact O-N 3.19Å; S328-R387 PolarHBondContact OG-NH2 3.14Å; R387-R394 VanDerWaalsContact CZ-O 3.28Å; R387-R394 PolarHBondContact NE-O 3.06Å; R387-R394 PolarHBondContact NH2-O 3.07Å; R387-F420 HydrophobicContact CG-CD1 4.32Å; R387-F420 HydrophobicContact CG-CE1 3.76Å; R387-F420 HydrophobicContact CG-CZ 4.21Å
388	R	95.2	Very high	92.8	Very high	104 Å²	104	50.6 Å²	50.6	39%	0.392	26%	0.258	S	S	.	.	S	Bend	trans	-62.8	-48.7	171.1	-73.8	-178	178.4	-82.9	-6.2	110.8	A386 Q417 H419 F420 R421 W432	A386-R388 PolarHBondContact O-N 3.47Å; R388-Q417 PolarHBondContact NE-O 2.91Å; R388-Q417 PolarHBondContact NH2-O 3.47Å; R388-H419 PolarHBondContact N-O 3.12Å; R388-F420 WeakPolarHBondContact CG-O 3.38Å; R388-F420 PolarHBondContact NE-O 2.81Å; R388-F420 PolarHBondContact NH2-O 2.63Å; R388-R421 HydrophobicContact CG-CB 4.05Å; R388-R421 HydrophobicContact CG-CG 4.36Å; R388-W432 VanDerWaalsContact NH2-CH2 3.27Å
389	R	95.8	Very high	92.1	Very high	189 Å²	189	50.5 Å²	50.5	71%	0.713	26%	0.258	S	S	*	.	S	Bend	trans	-108.7	107	175.6	-65.3	-176.3	-175.8	179.3	1.4	108.3	N391 S392	R389-N391 PolarHBondContact O-N 3.01Å; R389-S392 WeakPolarHBondContact O-CB 3.35Å; R389-S392 PolarHBondContact O-N 3.44Å; R389-S392 PolarHBondContact O-OG 3.2Å; R389-S392 VanDerWaalsContact O-OG 3.07Å
390	P	93.8	Very high	91.2	Very high	42 Å²	42	53.6 Å²	53.6	27%	0.273	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.7	-175.4	-31.1	37.3	0	0	0	114.8	R274 L278 L329	R274-P390 VanDerWaalsContact CD-O 3.31Å; R274-P390 WeakPolarHBondContact CD-O 3.45Å; R274-P390 PolarHBondContact NE-O 2.78Å; R274-P390 VanDerWaalsContact NE-O 3.15Å; L278-P390 HydrophobicContact CD1-CB 4.13Å; L278-P390 HydrophobicContact CD2-CB 4Å; L278-P390 HydrophobicContact CD2-CG 4.15Å; L329-P390 HydrophobicContact CD2-CB 3.84Å
391	N	92.5	Very high	90.2	Very high	120 Å²	120	52.5 Å²	52.5	64%	0.642	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	4.4	-177.9	64.4	-18.8	0	0	0	115	R389 G393	R389-N391 PolarHBondContact O-N 3.01Å; N391-G393 VanDerWaalsContact C-N 3.28Å; N391-G393 PolarHBondContact O-N 2.89Å
392	S	92.6	Very high	88.7	Confident	45 Å²	45	52 Å²	52	32%	0.315	28%	0.282	S	S	.	.	S	Bend	trans	-72	-15.8	-174	66.8	0	0	0	0	115.3	R389 R394	R389-S392 WeakPolarHBondContact O-CB 3.35Å; R389-S392 PolarHBondContact O-N 3.44Å; R389-S392 PolarHBondContact O-OG 3.2Å; R389-S392 VanDerWaalsContact O-OG 3.07Å; S392-R394 PolarHBondContact O-N 3.06Å; S392-R394 PolarHBondContact OG-N 2.67Å
393	G	90.4	Very high	86.9	Confident	44 Å²	44	56.2 Å²	56.2	45%	0.454	31%	0.311	S	S	.	.			trans	66.7	8.8	-174.9	0	0	0	0	0	114.9	N391 S395	N391-G393 VanDerWaalsContact C-N 3.28Å; N391-G393 PolarHBondContact O-N 2.89Å; G393-S395 PolarHBondContact O-N 3.18Å
394	R	93.8	Very high	84.8	Confident	118 Å²	118	59.5 Å²	59.5	45%	0.445	34%	0.335	S	S	.	.			trans	-75.9	119.9	-176.5	-65.1	-64.9	-174.9	-172	2.3	111.9	R387 S392 H419 F420	R387-R394 VanDerWaalsContact CZ-O 3.28Å; R387-R394 PolarHBondContact NE-O 3.06Å; R387-R394 PolarHBondContact NH2-O 3.07Å; S392-R394 PolarHBondContact O-N 3.06Å; S392-R394 PolarHBondContact OG-N 2.67Å; R394-H419 HydrophobicContact CB-CB 4.15Å; R394-H419 HydrophobicContact CG-CB 4.15Å; R394-F420 HydrophobicContact CB-CE2 4.41Å; R394-F420 HydrophobicContact CB-CZ 4.47Å; R394-F420 WeakPolarHBondContact O-CZ 3.38Å
395	S	92.8	Very high	82.7	Confident	5 Å²	5	68.7 Å²	68.7	4%	0.035	38%	0.378	C	S	.	.			trans	-87.9	150.4	178.1	-170.7	0	0	0	0	112.5	E320 G393 S397 S398 Y415	E320-S395 WeakPolarHBondContact OE1-CB 3.42Å; E320-S395 PolarHBondContact OE1-OG 3.26Å; E320-S395 PolarHBondContact OE2-OG 3.4Å; G393-S395 PolarHBondContact O-N 3.18Å; S395-S397 VanDerWaalsContact C-N 3.25Å; S395-S397 PolarHBondContact OG-N 3.36Å; S395-S398 WeakPolarHBondContact CB-OG 2.99Å; S395-S398 PolarHBondContact O-N 2.85Å; S395-Y415 WeakPolarHBondContact O-CE1 3.41Å; S395-Y415 PolarHBondContact O-OH 3.32Å
396	L	90.9	Very high	80.3	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.01	42%	0.416	C	S	.	.	S	Bend	trans	-67.9	-28.8	169.5	-74.8	167.6	0	0	0	112.1	V327 A371 C374 C385 S398 F416 F420	V327-L396 HydrophobicContact CB-CD1 4.44Å; V327-L396 HydrophobicContact CG1-CD1 4.1Å; V327-L396 HydrophobicContact CG2-CD1 3.74Å; A371-L396 HydrophobicContact CB-CD1 4.18Å; C374-L396 HydrophobicContact CB-CD2 3.61Å; C385-L396 HydrophobicContact CB-CD2 4Å; L396-S398 VanDerWaalsContact C-N 3.3Å; L396-S398 PolarHBondContact O-N 3.12Å; L396-F416 HydrophobicContact CD2-CD1 4.21Å; L396-F416 HydrophobicContact CD2-CE1 3.89Å; L396-F420 HydrophobicContact CD1-CE1 4.4Å; L396-F420 HydrophobicContact CD2-CD1 3.69Å; L396-F420 HydrophobicContact CD2-CD2 4.28Å; L396-F420 HydrophobicContact CD2-CE1 3.45Å; L396-F420 VanDerWaalsContact CD2-CE1 3.45Å; L396-F420 HydrophobicContact CD2-CE2 4.08Å; L396-F420 HydrophobicContact CD2-CG 4.11Å; L396-F420 HydrophobicContact CD2-CZ 3.66Å; L396-F420 HydrophobicContact CG-CD1 4.26Å; L396-F420 HydrophobicContact CG-CE1 3.57Å; L396-F420 HydrophobicContact CG-CZ 3.77Å
397	S	86.1	Confident	77.9	Confident	34 Å²	34	82.8 Å²	82.8	24%	0.238	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.1	178.8	-56.6	0	0	0	0	112.8	L367 S395 A399	L367-S397 WeakPolarHBondContact CA-OG 3.47Å; L367-S397 VanDerWaalsContact CD1-OG 3.28Å; L367-S397 WeakPolarHBondContact CD1-OG 3.45Å; S395-S397 VanDerWaalsContact C-N 3.25Å; S395-S397 PolarHBondContact OG-N 3.36Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 2.87Å
398	S	84.4	Confident	75.6	Confident	78 Å²	78	89.7 Å²	89.7	55%	0.545	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.9	-178.2	-52.3	0	0	0	0	114.5	S395 L396	S395-S398 WeakPolarHBondContact CB-OG 2.99Å; S395-S398 PolarHBondContact O-N 2.85Å; L396-S398 VanDerWaalsContact C-N 3.3Å; L396-S398 PolarHBondContact O-N 3.12Å
399	A	79.3	Confident	73.7	Confident	4 Å²	4	89 Å²	89	3%	0.033	49%	0.489	C	S	.	.	S	Bend	trans	-68.3	132.3	178.8	0	0	0	0	0	110.4	R373 S397 V401 Y415 F416	R373-A399 PolarHBondContact NH2-O 3.4Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 2.87Å; A399-V401 PolarHBondContact O-N 3.22Å; A399-Y415 HydrophobicContact CB-CD1 3.57Å; A399-Y415 HydrophobicContact CB-CE1 3.99Å; A399-Y415 HydrophobicContact CB-CG 4.22Å; A399-F416 HydrophobicContact CB-CD1 4.22Å; A399-F416 HydrophobicContact CB-CE1 3.4Å; A399-F416 VanDerWaalsContact CB-CE1 3.4Å; A399-F416 HydrophobicContact CB-CE2 4.08Å; A399-F416 HydrophobicContact CB-CZ 3.33Å
400	P	77.1	Confident	72.5	Confident	65 Å²	65	80.4 Å²	80.4	42%	0.422	46%	0.459	S	S	.	.			trans	-51.6	138.6	-179.2	-24.5	30.7	0	0	0	111.7	S412	P400-S412 VanDerWaalsContact O-CB 3.31Å; P400-S412 WeakPolarHBondContact O-CB 3.46Å
401	V	70.5	Confident	71.7	Confident	111 Å²	111	80.2 Å²	80.2	67%	0.673	46%	0.464	S	S	*	.			trans	-87	113	170.9	-174.2	0	0	0	0	107.2	A399 V403	A399-V401 PolarHBondContact O-N 3.22Å; V401-V403 PolarHBondContact O-N 3.18Å
402	S	61.2	Low	71.3	Confident	50 Å²	50	74.5 Å²	74.5	35%	0.35	43%	0.434	S	S	.	.			trans	-68.6	124.2	172.9	-70.9	0	0	0	0	109.9	S404 S410	S402-S404 VanDerWaalsContact C-N 3.32Å; S402-S410 WeakPolarHBondContact OG-CB 3.14Å
403	V	54	Low	70.9	Confident	144 Å²	144	73 Å²	73	87%	0.873	42%	0.423	S	S	*	.			trans	-86.2	-5.2	179.4	-171.8	0	0	0	0	111.6	V401	V401-V403 PolarHBondContact O-N 3.18Å
404	S	48.8	Very low	70.9	Confident	70 Å²	70	76.1 Å²	76.1	49%	0.49	42%	0.424	S	S	.	.			trans	-115.4	128.8	179.7	60.6	0	0	0	0	112.4	S402 K406	S402-S404 VanDerWaalsContact C-N 3.32Å; S404-K406 PolarHBondContact O-N 3.12Å
405	H	49.9	Very low	70.9	Confident	205 Å²	205	71.9 Å²	71.9	95%	0.949	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	7.5	179.2	-82.1	-70.3	0	0	0	114.8
406	K	44.9	Very low	71	Confident	195 Å²	195	71.7 Å²	71.7	85%	0.848	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-5.7	-166.5	-78.9	-170.1	175.5	-177.5	0	117.1	S404	S404-K406 PolarHBondContact O-N 3.12Å
407	D	44.7	Very low	71.1	Confident	110 Å²	110	76.1 Å²	76.1	59%	0.588	43%	0.428	S	S	*	.			trans	-112.8	114.9	179.6	-75.6	-42.2	0	0	0	113	D409 S410	D407-D409 PolarHBondContact O-N 2.74Å; D407-D409 VanDerWaalsContact O-N 3.12Å; D407-S410 PolarHBondContact O-N 3.15Å
408	T	49.5	Very low	71.5	Confident	148 Å²	148	81 Å²	81	91%	0.908	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-10.4	162.9	40.4	0	0	0	0	112.8
409	D	55.7	Low	72	Confident	89 Å²	89	78.7 Å²	78.7	48%	0.476	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	40.9	176.7	-159.5	30.4	0	0	0	113.1	D407 K414	D407-D409 PolarHBondContact O-N 2.74Å; D407-D409 VanDerWaalsContact O-N 3.12Å; D409-K414 VanDerWaalsContact CG-CE 3.49Å; D409-K414 WeakPolarHBondContact OD1-CE 3Å; D409-K414 IonicContact OD1-NZ 3.65Å; D409-K414 WeakPolarHBondContact OD2-CE 2.97Å; D409-K414 IonicContact OD2-NZ 2.68Å; D409-K414 PolarHBondContact OD2-NZ 3.12Å
410	S	69.8	Low	72.9	Confident	10 Å²	10	78.5 Å²	78.5	7%	0.07	43%	0.426	C	S	.	.			trans	-51	138.4	173.6	50	0	0	0	0	113	Q377 S402 D407 S412 S413 K414	Q377-S410 PolarHBondContact NE2-OG 3.49Å; S402-S410 WeakPolarHBondContact OG-CB 3.14Å; D407-S410 PolarHBondContact O-N 3.15Å; S410-S412 PolarHBondContact O-N 3.29Å; S410-S412 PolarHBondContact OG-OG 3.45Å; S410-S412 VanDerWaalsContact OG-OG 3.12Å; S410-S413 WeakPolarHBondContact O-CB 3.33Å; S410-S413 PolarHBondContact O-N 3.47Å; S410-S413 PolarHBondContact OG-OG 2.89Å; S410-K414 PolarHBondContact O-N 3.48Å
411	G	77.9	Confident	73.8	Confident	37 Å²	37	79.7 Å²	79.7	38%	0.381	42%	0.422	S	S	.	.	H	α-helix	trans	-53.9	-25.9	173.4	0	0	0	0	0	113.7	Y415	G411-Y415 WeakPolarHBondContact O-CB 3.33Å; G411-Y415 PolarHBondContact O-N 2.98Å; G411-Y415 VanDerWaalsContact O-N 3.16Å
412	S	82.4	Confident	74.9	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.007	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-41.6	170.3	64.7	0	0	0	0	113.2	Q377 P400 S410 Y415 F416	Q377-S412 PolarHBondContact NE2-OG 3.45Å; Q377-S412 VanDerWaalsContact NE2-OG 3.15Å; Q377-S412 PolarHBondContact OE1-OG 2.92Å; P400-S412 VanDerWaalsContact O-CB 3.31Å; P400-S412 WeakPolarHBondContact O-CB 3.46Å; S410-S412 PolarHBondContact O-N 3.29Å; S410-S412 PolarHBondContact OG-OG 3.45Å; S410-S412 VanDerWaalsContact OG-OG 3.12Å; S412-Y415 WeakPolarHBondContact O-CB 3.29Å; S412-Y415 PolarHBondContact O-N 3.38Å; S412-F416 WeakPolarHBondContact O-CD2 3.39Å; S412-F416 VanDerWaalsContact O-CG 3.28Å; S412-F416 WeakPolarHBondContact O-CG 3.49Å; S412-F416 PolarHBondContact O-N 3.28Å
413	S	85.5	Confident	76.4	Confident	13 Å²	13	75.3 Å²	75.3	9%	0.091	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-44.4	-178.3	-62.6	0	0	0	0	111	Q377 S410 Y415 F416 Q417	Q377-S413 PolarHBondContact OE1-OG 3.29Å; S410-S413 WeakPolarHBondContact O-CB 3.33Å; S410-S413 PolarHBondContact O-N 3.47Å; S410-S413 PolarHBondContact OG-OG 2.89Å; S413-Y415 PolarHBondContact O-N 3.38Å; S413-F416 PolarHBondContact O-N 3.05Å; S413-Q417 WeakPolarHBondContact O-CB 3.45Å; S413-Q417 VanDerWaalsContact O-CG 3.29Å; S413-Q417 WeakPolarHBondContact O-CG 2.94Å; S413-Q417 PolarHBondContact O-N 3.32Å
414	K	89.9	Confident	78.2	Confident	109 Å²	109	69.2 Å²	69.2	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-46.3	173.4	-72.5	178.4	178.2	157.2	0	111.8	D409 S410 F416 Q417 Q418	D409-K414 VanDerWaalsContact CG-CE 3.49Å; D409-K414 WeakPolarHBondContact OD1-CE 3Å; D409-K414 IonicContact OD1-NZ 3.65Å; D409-K414 WeakPolarHBondContact OD2-CE 2.97Å; D409-K414 IonicContact OD2-NZ 2.68Å; D409-K414 PolarHBondContact OD2-NZ 3.12Å; S410-K414 PolarHBondContact O-N 3.48Å; K414-F416 PolarHBondContact O-N 2.79Å; K414-Q417 PolarHBondContact O-N 3.16Å; K414-Q418 WeakPolarHBondContact O-CB 3.2Å; K414-Q418 PolarHBondContact O-N 2.83Å
415	Y	93.1	Very high	80.2	Confident	30 Å²	30	66.6 Å²	66.6	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-57.8	-47.8	176.3	179.2	-88.9	0	0	0	112.1	S395 A399 G411 S412 S413 Q418 H419 F420	S395-Y415 WeakPolarHBondContact O-CE1 3.41Å; S395-Y415 PolarHBondContact O-OH 3.32Å; A399-Y415 HydrophobicContact CB-CD1 3.57Å; A399-Y415 HydrophobicContact CB-CE1 3.99Å; A399-Y415 HydrophobicContact CB-CG 4.22Å; G411-Y415 WeakPolarHBondContact O-CB 3.33Å; G411-Y415 PolarHBondContact O-N 2.98Å; G411-Y415 VanDerWaalsContact O-N 3.16Å; S412-Y415 WeakPolarHBondContact O-CB 3.29Å; S412-Y415 PolarHBondContact O-N 3.38Å; S413-Y415 PolarHBondContact O-N 3.38Å; Y415-Q418 PolarHBondContact O-N 2.88Å; Y415-H419 AromaticContact CD2-CD2 3.57Å; Y415-H419 AromaticContact CE2-CD2 3.42Å; Y415-H419 VanDerWaalsContact CE2-CD2 3.42Å; Y415-H419 WeakPolarHBondContact CE2-CD2 3.04Å; Y415-H419 AromaticContact CE2-NE2 3.94Å; Y415-H419 AromaticContact CZ-CD2 3.78Å; Y415-H419 PolarHBondContact O-CD2 3.36Å; Y415-H419 PolarHBondContact O-N 3.38Å; Y415-F420 HydrophobicContact CD1-CE2 4.42Å; Y415-F420 HydrophobicContact CE1-CD2 4.4Å; Y415-F420 AromaticContact CE1-CE2 3.71Å; Y415-F420 HydrophobicContact CE1-CE2 3.71Å
416	F	94.6	Very high	81.8	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-44.5	179.4	-66.1	-44	0	0	0	112.1	R373 C374 Q377 L378 L396 A399 S412 S413 K414 Q418 H419 F420	R373-F416 HydrophobicContact CB-CE2 4.34Å; R373-F416 HydrophobicContact CG-CE2 3.95Å; C374-F416 HydrophobicContact CB-CD1 3.77Å; C374-F416 HydrophobicContact CB-CD2 4.12Å; C374-F416 HydrophobicContact CB-CE1 3.65Å; C374-F416 HydrophobicContact CB-CE2 4.02Å; C374-F416 HydrophobicContact CB-CG 4.01Å; C374-F416 HydrophobicContact CB-CZ 3.78Å; C374-F416 WeakPolarHBondContact SG-CD1 3.39Å; Q377-F416 HydrophobicContact CB-CD2 4.48Å; L378-F416 HydrophobicContact CB-CB 4.39Å; L378-F416 HydrophobicContact CD2-CB 4.31Å; L396-F416 HydrophobicContact CD2-CD1 4.21Å; L396-F416 HydrophobicContact CD2-CE1 3.89Å; A399-F416 HydrophobicContact CB-CD1 4.22Å; A399-F416 HydrophobicContact CB-CE1 3.4Å; A399-F416 VanDerWaalsContact CB-CE1 3.4Å; A399-F416 HydrophobicContact CB-CE2 4.08Å; A399-F416 HydrophobicContact CB-CZ 3.33Å; S412-F416 WeakPolarHBondContact O-CD2 3.39Å; S412-F416 VanDerWaalsContact O-CG 3.28Å; S412-F416 WeakPolarHBondContact O-CG 3.49Å; S412-F416 PolarHBondContact O-N 3.28Å; S413-F416 PolarHBondContact O-N 3.05Å; K414-F416 PolarHBondContact O-N 2.79Å; F416-Q418 VanDerWaalsContact C-N 3.29Å; F416-Q418 PolarHBondContact O-N 3.4Å; F416-H419 PolarHBondContact O-N 3.22Å; F416-F420 HydrophobicContact CD1-CD2 4.07Å; F416-F420 HydrophobicContact CD1-CE2 4.45Å; F416-F420 WeakPolarHBondContact O-CA 3.44Å; F416-F420 WeakPolarHBondContact O-CB 3.45Å; F416-F420 PolarHBondContact O-N 3.38Å
417	Q	93.2	Very high	83.7	Confident	96 Å²	96	51 Å²	51	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-41.6	176.8	-72.7	173.4	7.5	0	0	112.1	L378 R388 S413 K414	L378-Q417 HydrophobicContact CD1-CB 4.22Å; L378-Q417 HydrophobicContact CD1-CG 3.53Å; R388-Q417 PolarHBondContact NE-O 2.91Å; R388-Q417 PolarHBondContact NH2-O 3.47Å; S413-Q417 WeakPolarHBondContact O-CB 3.45Å; S413-Q417 VanDerWaalsContact O-CG 3.29Å; S413-Q417 WeakPolarHBondContact O-CG 2.94Å; S413-Q417 PolarHBondContact O-N 3.32Å; K414-Q417 PolarHBondContact O-N 3.16Å
418	Q	94.6	Very high	85.9	Confident	137 Å²	137	49 Å²	49	64%	0.64	26%	0.257	S	S	*	.	H	α-helix	trans	-70.2	-39.2	-178.7	-169.1	-179.3	11.4	0	0	113.1	K414 Y415 F416	K414-Q418 WeakPolarHBondContact O-CB 3.2Å; K414-Q418 PolarHBondContact O-N 2.83Å; Y415-Q418 PolarHBondContact O-N 2.88Å; F416-Q418 VanDerWaalsContact C-N 3.29Å; F416-Q418 PolarHBondContact O-N 3.4Å
419	H	96.4	Very high	87.8	Confident	29 Å²	29	44.6 Å²	44.6	13%	0.134	23%	0.231	C	C	.	.	H	α-helix	trans	-110	-19	-168.3	-63.4	-44.7	0	0	0	115.1	R388 R394 Y415 F416	R388-H419 PolarHBondContact N-O 3.12Å; R394-H419 HydrophobicContact CB-CB 4.15Å; R394-H419 HydrophobicContact CG-CB 4.15Å; Y415-H419 AromaticContact CD2-CD2 3.57Å; Y415-H419 AromaticContact CE2-CD2 3.42Å; Y415-H419 VanDerWaalsContact CE2-CD2 3.42Å; Y415-H419 WeakPolarHBondContact CE2-CD2 3.04Å; Y415-H419 AromaticContact CE2-NE2 3.94Å; Y415-H419 AromaticContact CZ-CD2 3.78Å; Y415-H419 PolarHBondContact O-CD2 3.36Å; Y415-H419 PolarHBondContact O-N 3.38Å; F416-H419 PolarHBondContact O-N 3.22Å
420	F	97.1	Very high	89.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	157.7	-174.3	-64.7	-94.9	0	0	0	112	L378 C385 A386 R387 R388 R394 L396 Y415 F416	L378-F420 HydrophobicContact CD2-CB 3.85Å; C385-F420 HydrophobicContact CB-CB 4.22Å; C385-F420 HydrophobicContact CB-CD1 4.1Å; C385-F420 HydrophobicContact CB-CG 4.44Å; A386-F420 CarbonylContact O-C 3.54Å; A386-F420 WeakPolarHBondContact O-CA 3.29Å; R387-F420 HydrophobicContact CG-CD1 4.32Å; R387-F420 HydrophobicContact CG-CE1 3.76Å; R387-F420 HydrophobicContact CG-CZ 4.21Å; R388-F420 WeakPolarHBondContact CG-O 3.38Å; R388-F420 PolarHBondContact NE-O 2.81Å; R388-F420 PolarHBondContact NH2-O 2.63Å; R394-F420 HydrophobicContact CB-CE2 4.41Å; R394-F420 HydrophobicContact CB-CZ 4.47Å; R394-F420 WeakPolarHBondContact O-CZ 3.38Å; L396-F420 HydrophobicContact CD1-CE1 4.4Å; L396-F420 HydrophobicContact CD2-CD1 3.69Å; L396-F420 HydrophobicContact CD2-CD2 4.28Å; L396-F420 HydrophobicContact CD2-CE1 3.45Å; L396-F420 VanDerWaalsContact CD2-CE1 3.45Å; L396-F420 HydrophobicContact CD2-CE2 4.08Å; L396-F420 HydrophobicContact CD2-CG 4.11Å; L396-F420 HydrophobicContact CD2-CZ 3.66Å; L396-F420 HydrophobicContact CG-CD1 4.26Å; L396-F420 HydrophobicContact CG-CE1 3.57Å; L396-F420 HydrophobicContact CG-CZ 3.77Å; Y415-F420 HydrophobicContact CD1-CE2 4.42Å; Y415-F420 HydrophobicContact CE1-CD2 4.4Å; Y415-F420 AromaticContact CE1-CE2 3.71Å; Y415-F420 HydrophobicContact CE1-CE2 3.71Å; F416-F420 HydrophobicContact CD1-CD2 4.07Å; F416-F420 HydrophobicContact CD1-CE2 4.45Å; F416-F420 WeakPolarHBondContact O-CA 3.44Å; F416-F420 WeakPolarHBondContact O-CB 3.45Å; F416-F420 PolarHBondContact O-N 3.38Å
421	R	96.1	Very high	90.6	Very high	89 Å²	89	45.4 Å²	45.4	34%	0.336	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.9	172.8	58.3	170.4	174.1	-179.5	-3	109	C385 A386 R388 R423	C385-R421 CarbonylContact C-O 3.59Å; C385-R421 WeakPolarHBondContact CA-O 3.49Å; A386-R421 PolarHBondContact N-O 2.82Å; A386-R421 VanDerWaalsContact O-CG 3.31Å; A386-R421 WeakPolarHBondContact O-CG 3.01Å; A386-R421 PolarHBondContact O-N 3.34Å; R388-R421 HydrophobicContact CG-CB 4.05Å; R388-R421 HydrophobicContact CG-CG 4.36Å; R421-R423 VanDerWaalsContact NH2-NH2 3.17Å
422	C	94.8	Very high	91.4	Very high	15 Å²	15	47.3 Å²	47.3	10%	0.101	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.2	177.4	-60.7	0	0	0	0	112.9	L378 C379 R384 C433	L378-C422 VanDerWaalsContact C-SG 3.53Å; L378-C422 PolarHBondContact O-SG 3.03Å; C379-C422 WeakPolarHBondContact CA-SG 3.39Å; C379-C422 HydrophobicContact CB-CB 3.83Å; C379-C422 WeakPolarHBondContact CB-SG 3.42Å; C379-C422 WeakPolarHBondContact SG-CA 3.44Å; C379-C422 WeakPolarHBondContact SG-CB 3.47Å; C379-C422 CovalentContact SG-SG 2.03Å; C379-C422 PolarHBondContact SG-SG 3.46Å; R384-C422 CarbonylContact O-C 3.57Å; C422-C433 WeakPolarHBondContact CB-SG 3.37Å
423	R	92.1	Very high	91.9	Very high	54 Å²	54	47.3 Å²	47.3	20%	0.204	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	100	163.4	-62	-63.1	-160.1	170.6	8.2	106.6	N29 A32 G383 R384 A386 R421	N29-R423 PolarHBondContact OD1-NH1 3.42Å; A32-R423 HydrophobicContact CB-CB 3.93Å; G383-R423 CarbonylContact C-O 3.51Å; G383-R423 WeakPolarHBondContact CA-O 3.31Å; R384-R423 HydrophobicContact CG-CB 3.88Å; R384-R423 PolarHBondContact N-O 2.87Å; R384-R423 PolarHBondContact O-N 2.77Å; A386-R423 HydrophobicContact CB-CG 3.9Å; R421-R423 VanDerWaalsContact NH2-NH2 3.17Å
424	C	91.5	Very high	92.3	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.2	-170.5	-54	0	0	0	0	112.1	A31 A32 H382 W428 G430 C433	A31-C424 CarbonylContact C-O 3.38Å; A31-C424 VanDerWaalsContact CA-O 3.28Å; A31-C424 WeakPolarHBondContact CA-O 3.38Å; A32-C424 WeakPolarHBondContact CB-O 3.37Å; A32-C424 PolarHBondContact N-O 2.9Å; H382-C424 WeakPolarHBondContact O-CA 3.01Å; C424-W428 HydrophobicContact CB-CB 4.15Å; C424-W428 VanDerWaalsContact CB-O 3.23Å; C424-W428 WeakPolarHBondContact CB-O 3.03Å; C424-G430 PolarHBondContact SG-O 3.47Å; C424-C433 WeakPolarHBondContact CA-SG 3.47Å; C424-C433 HydrophobicContact CB-CB 3.69Å; C424-C433 WeakPolarHBondContact CB-SG 3.47Å; C424-C433 PolarHBondContact N-SG 3.38Å; C424-C433 WeakPolarHBondContact SG-CA 3.38Å; C424-C433 WeakPolarHBondContact SG-CB 3.4Å; C424-C433 CovalentContact SG-SG 2.03Å; C424-C433 PolarHBondContact SG-SG 3Å
425	Y	89.7	Confident	92.4	Very high	15 Å²	15	52.3 Å²	52.3	6%	0.059	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-68.3	165.6	172.6	-59.8	-45.2	0	0	0	111.4	A32 A33 P35 P41 H382 R384 G427 W428	A32-Y425 HydrophobicContact CB-CD1 4.31Å; A33-Y425 VanDerWaalsContact O-CD1 3.25Å; A33-Y425 WeakPolarHBondContact O-CD1 3.47Å; P35-Y425 HydrophobicContact CB-CE2 4.43Å; P35-Y425 HydrophobicContact CG-CE2 4.34Å; P41-Y425 VanDerWaalsContact CA-OH 3.28Å; P41-Y425 WeakPolarHBondContact CA-OH 3.45Å; P41-Y425 WeakPolarHBondContact CB-OH 3.3Å; H382-Y425 WeakPolarHBondContact O-CD2 3.23Å; H382-Y425 PolarHBondContact O-N 3.46Å; R384-Y425 HydrophobicContact CB-CE1 4.32Å; Y425-G427 PolarHBondContact O-N 3.31Å; Y425-W428 PolarHBondContact O-N 3.28Å
426	S	84.1	Confident	92.3	Very high	44 Å²	44	58.4 Å²	58.4	31%	0.308	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	136.1	174.7	-169	0	0	0	0	111.1	W428	S426-W428 VanDerWaalsContact C-N 3.35Å
427	G	85.8	Confident	91.8	Very high	27 Å²	27	62 Å²	62	28%	0.278	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-2.3	-175.8	0	0	0	0	0	116	Y425 K436 M437	Y425-G427 PolarHBondContact O-N 3.31Å; G427-K436 CarbonylContact O-C 3.53Å; G427-K436 WeakPolarHBondContact O-CA 3.14Å; G427-M437 PolarHBondContact O-N 2.68Å
428	W	89.4	Confident	91	Very high	68 Å²	68	64.1 Å²	64.1	26%	0.258	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.9	-179.6	-63.4	94.1	0	0	0	113.5	H382 C424 Y425 S426 C433 R435 K436 M437	H382-W428 HydrophobicContact CB-CB 4.04Å; H382-W428 HydrophobicContact CB-CD2 3.51Å; H382-W428 HydrophobicContact CB-CE3 3.9Å; H382-W428 HydrophobicContact CB-CG 3.56Å; H382-W428 AromaticContact CD2-CD2 3.71Å; H382-W428 AromaticContact CD2-CE2 3.78Å; H382-W428 AromaticContact CD2-CE3 3.43Å; H382-W428 VanDerWaalsContact CD2-CE3 3.43Å; H382-W428 AromaticContact CD2-CH2 3.35Å; H382-W428 WeakPolarHBondContact CD2-CH2 3.31Å; H382-W428 AromaticContact CD2-CZ2 3.63Å; H382-W428 AromaticContact CD2-CZ3 3.24Å; H382-W428 WeakPolarHBondContact CD2-CZ3 3.46Å; H382-W428 AromaticContact CE1-CE2 3.73Å; H382-W428 AromaticContact CE1-CH2 3.51Å; H382-W428 AromaticContact CE1-CZ2 3.24Å; H382-W428 WeakPolarHBondContact CE1-CZ2 3.28Å; H382-W428 AromaticContact CG-CD2 3.4Å; H382-W428 AromaticContact CG-CE2 3.38Å; H382-W428 AromaticContact CG-CE3 3.63Å; H382-W428 AromaticContact CG-CG 3.97Å; H382-W428 AromaticContact CG-CH2 3.86Å; H382-W428 AromaticContact CG-CZ2 3.64Å; H382-W428 AromaticContact CG-CZ3 3.85Å; H382-W428 AromaticContact CG-NE1 3.88Å; H382-W428 AromaticContact ND1-CD2 3.9Å; H382-W428 AromaticContact ND1-CE2 3.35Å; H382-W428 VanDerWaalsContact ND1-CE2 3.35Å; H382-W428 AromaticContact ND1-CH2 3.93Å; H382-W428 AromaticContact ND1-CZ2 3.39Å; H382-W428 WeakPolarHBondContact ND1-CZ2 3.31Å; H382-W428 AromaticContact ND1-NE1 3.65Å; H382-W428 AromaticContact NE2-CE2 3.98Å; H382-W428 AromaticContact NE2-CH2 3.11Å; H382-W428 WeakPolarHBondContact NE2-CH2 3.46Å; H382-W428 AromaticContact NE2-CZ2 3.39Å; H382-W428 WeakPolarHBondContact NE2-CZ2 3.47Å; H382-W428 AromaticContact NE2-CZ3 3.52Å; C424-W428 HydrophobicContact CB-CB 4.15Å; C424-W428 VanDerWaalsContact CB-O 3.23Å; C424-W428 WeakPolarHBondContact CB-O 3.03Å; Y425-W428 PolarHBondContact O-N 3.28Å; S426-W428 VanDerWaalsContact C-N 3.35Å; W428-C433 HydrophobicContact CB-CB 4.3Å; W428-C433 VanDerWaalsContact CE3-O 3.22Å; W428-R435 CarbonylContact C-O 3.49Å; W428-R435 WeakPolarHBondContact CA-O 3.37Å; W428-K436 HydrophobicContact CE3-CB 4.4Å; W428-K436 HydrophobicContact CH2-CB 4.47Å; W428-K436 HydrophobicContact CZ3-CB 4.19Å; W428-M437 WeakPolarHBondContact O-CE 3.14Å
429	T	90.8	Very high	89.3	Confident	56 Å²	56	60.6 Å²	60.6	34%	0.344	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	173.9	-177.1	-168.7	0	0	0	0	112.3	C433 Q434 R435 M437	T429-C433 CarbonylContact O-C 3.44Å; T429-C433 WeakPolarHBondContact O-CA 3.42Å; T429-Q434 PolarHBondContact O-N 2.95Å; T429-R435 HydrophobicContact CG2-CB 4.01Å; T429-R435 PolarHBondContact N-O 2.84Å; T429-R435 PolarHBondContact O-N 3.39Å; T429-R435 VanDerWaalsContact O-N 3.12Å; T429-M437 HydrophobicContact CG2-CG 3.98Å
430	G	91	Very high	87	Confident	20 Å²	20	71.9 Å²	71.9	21%	0.206	36%	0.361	C	S	.	.	S	Bend	trans	97	164.9	-172.9	0	0	0	0	0	112.5	C424 W432 C433	C424-G430 PolarHBondContact SG-O 3.47Å; G430-W432 PolarHBondContact O-N 3.35Å; G430-W432 VanDerWaalsContact O-N 3.12Å; G430-C433 PolarHBondContact O-N 3.16Å
431	T	92.4	Very high	84.4	Confident	96 Å²	96	75 Å²	75	59%	0.589	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.3	-178.4	-50.2	0	0	0	0	112.9
432	W	94.2	Very high	81.6	Confident	78 Å²	78	77.8 Å²	77.8	30%	0.295	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	11	-176	-46.1	121.4	0	0	0	112.4	L378 C379 Y380 R388 G430 Q434	L378-W432 HydrophobicContact CD1-CE3 3.71Å; L378-W432 HydrophobicContact CD1-CH2 4.15Å; L378-W432 HydrophobicContact CD1-CZ3 3.35Å; L378-W432 HydrophobicContact CD2-CZ3 4.38Å; L378-W432 HydrophobicContact CG-CE3 3.92Å; L378-W432 HydrophobicContact CG-CZ3 3.86Å; L378-W432 WeakPolarHBondContact O-CB 3.47Å; C379-W432 CarbonylContact C-O 3.57Å; C379-W432 VanDerWaalsContact C-O 3.24Å; C379-W432 VanDerWaalsContact CA-O 3.23Å; C379-W432 WeakPolarHBondContact CA-O 3.38Å; Y380-W432 HydrophobicContact CD2-CB 4.05Å; Y380-W432 WeakPolarHBondContact CD2-O 3.33Å; Y380-W432 HydrophobicContact CE2-CB 3.84Å; R388-W432 VanDerWaalsContact NH2-CH2 3.27Å; G430-W432 PolarHBondContact O-N 3.35Å; G430-W432 VanDerWaalsContact O-N 3.12Å; W432-Q434 PolarHBondContact O-N 3.06Å
433	C	93.9	Very high	78.9	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	45%	0.452	C	S	.	.	S	Bend	trans	60.7	26.2	-176.4	-44.2	0	0	0	0	114.6	H382 C422 C424 W428 T429 G430 R435	H382-C433 HydrophobicContact CB-CB 3.82Å; H382-C433 VanDerWaalsContact CB-O 3.32Å; H382-C433 WeakPolarHBondContact CB-O 3.29Å; H382-C433 WeakPolarHBondContact O-CB 3.08Å; C422-C433 WeakPolarHBondContact CB-SG 3.37Å; C424-C433 WeakPolarHBondContact CA-SG 3.47Å; C424-C433 HydrophobicContact CB-CB 3.69Å; C424-C433 WeakPolarHBondContact CB-SG 3.47Å; C424-C433 PolarHBondContact N-SG 3.38Å; C424-C433 WeakPolarHBondContact SG-CA 3.38Å; C424-C433 WeakPolarHBondContact SG-CB 3.4Å; C424-C433 CovalentContact SG-SG 2.03Å; C424-C433 PolarHBondContact SG-SG 3Å; W428-C433 HydrophobicContact CB-CB 4.3Å; W428-C433 VanDerWaalsContact CE3-O 3.22Å; T429-C433 CarbonylContact O-C 3.44Å; T429-C433 WeakPolarHBondContact O-CA 3.42Å; G430-C433 PolarHBondContact O-N 3.16Å; C433-R435 VanDerWaalsContact C-N 3.35Å
434	Q	93.8	Very high	76.4	Confident	79 Å²	79	90.1 Å²	90.1	37%	0.369	47%	0.473	S	S	.	.			trans	-82.9	-10	-173.9	74	-79.6	22.6	0	0	113.9	Y380 T429 W432	Y380-Q434 HydrophobicContact CD2-CB 3.83Å; Y380-Q434 HydrophobicContact CE2-CB 3.82Å; Y380-Q434 HydrophobicContact CG-CB 4.3Å; T429-Q434 PolarHBondContact O-N 2.95Å; W432-Q434 PolarHBondContact O-N 3.06Å
435	R	92.4	Very high	73.8	Confident	149 Å²	149	98.6 Å²	98.6	56%	0.562	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.1	-178.5	-60.9	-175.1	-61.9	175.2	2.8	110.6	W428 T429 C433	W428-R435 CarbonylContact C-O 3.49Å; W428-R435 WeakPolarHBondContact CA-O 3.37Å; T429-R435 HydrophobicContact CG2-CB 4.01Å; T429-R435 PolarHBondContact N-O 2.84Å; T429-R435 PolarHBondContact O-N 3.39Å; T429-R435 VanDerWaalsContact O-N 3.12Å; C433-R435 VanDerWaalsContact C-N 3.35Å
436	K	90.1	Very high	73	Confident	157 Å²	157	102.8 Å²	102.8	68%	0.683	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74	136.4	168.7	-164.9	171.9	-177.5	179.9	0	109.3	G427 W428 V438	G427-K436 CarbonylContact O-C 3.53Å; G427-K436 WeakPolarHBondContact O-CA 3.14Å; W428-K436 HydrophobicContact CE3-CB 4.4Å; W428-K436 HydrophobicContact CH2-CB 4.47Å; W428-K436 HydrophobicContact CZ3-CB 4.19Å; K436-V438 PolarHBondContact O-N 3.23Å
437	M	84.9	Confident	72.4	Confident	76 Å²	76	105.8 Å²	105.8	37%	0.374	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-69.5	122.6	172.1	-62.7	-168.8	-139	0	0	108.6	A31 G427 W428 T429	A31-M437 HydrophobicContact CB-CE 4.44Å; G427-M437 PolarHBondContact O-N 2.68Å; W428-M437 WeakPolarHBondContact O-CE 3.14Å; T429-M437 HydrophobicContact CG2-CG 3.98Å
438	V	76.2	Confident	71.6	Confident	140 Å²	140	110.2 Å²	110.2	85%	0.848	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-78.6	120.6	171.6	-175.4	0	0	0	0	107.2	K436 R440	K436-V438 PolarHBondContact O-N 3.23Å; V438-R440 PolarHBondContact O-N 3.29Å
439	G	57.8	Low	70.6	Confident	64 Å²	64	112.7 Å²	112.7	66%	0.66	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-64.5	132.1	175.2	0	0	0	0	0	110	G441	G439-G441 PolarHBondContact O-N 3.39Å
440	R	48.8	Very low	69.3	Low	265 Å²	265	116.3 Å²	116.3	100%	1	62%	0.62	S	S	*	*	S	Bend	trans	-64.8	104.1	159.8	-84.7	-174.6	-179.7	-179.2	-1.1	106.8	V438	V438-R440 PolarHBondContact O-N 3.29Å
441	G	42.6	Very low	67.9	Low	67 Å²	67	122.7 Å²	122.7	69%	0.691	65%	0.648	S	S	*	*			trans	149.4	60.2	178.2	0	0	0	0	0	113.8	G439	G439-G441 PolarHBondContact O-N 3.39Å
442	Q	36.8	Very low	66.1	Low	146 Å²	146	124.6 Å²	124.6	68%	0.682	65%	0.652	S	S	*	*			trans	-168.6	68.7	143.2	-103.9	179.3	23	0	0	106.8	K444	Q442-K444 HydrophobicContact CB-CG 4.34Å; Q442-K444 HydrophobicContact CG-CG 4.13Å; Q442-K444 PolarHBondContact O-N 3.19Å; Q442-K444 VanDerWaalsContact O-N 3.08Å
443	D	38.5	Very low	64	Low	179 Å²	179	128.2 Å²	128.2	96%	0.957	68%	0.68	S	S	*	*			trans	-67	97	144	-82.3	-26.4	0	0	0	104.5
444	K	39.2	Very low	61.5	Low	150 Å²	150	138.8 Å²	138.8	65%	0.652	74%	0.736	S	S	*	*			trans	-87.1	116	168.6	-83.7	-172	173.7	-178	0	107.1	Q442	Q442-K444 HydrophobicContact CB-CG 4.34Å; Q442-K444 HydrophobicContact CG-CG 4.13Å; Q442-K444 PolarHBondContact O-N 3.19Å; Q442-K444 VanDerWaalsContact O-N 3.08Å
445	S	36.5	Very low	58.5	Low	194 Å²	194	144.3 Å²	144.3	100%	1.357	77%	0.77	S	S	*	*			trans	68.7	0	154.9	18.9	0	0	0	0	117.1

Retrieved 445 of 445 residues in 898.1 ms (Link to these results)

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