A0A087X8A0_POEFO Loading...

Prostaglandin G/H synthase 1

AlphaFold DB , UniProt , Accession A0A087X8A0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 595 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	33.9	Very low	40.1	Very low	234 Å²	234	138.6 Å²	138.6	100%	1.153	83%	0.833	S	S	*	*				0	92.2	0	-83.9	174.3	-98.4	0	0	106.6
2	R	30.9	Very low	40.2	Very low	243 Å²	243	140 Å²	140	92%	0.917	83%	0.831	S	S	*	*				80.6	109.8	94.2	-86.9	-170.4	177.6	-175.4	-0.1	111.9
3	A	36.9	Very low	40	Very low	108 Å²	108	138.4 Å²	138.4	89%	0.893	82%	0.815	S	S	*	*			trans	60.9	102.4	154.9	0	0	0	0	0	117.5
4	S	39.8	Very low	39.6	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	82%	0.817	S	S	*	*			trans	-129.6	111.6	162.4	-155.3	0	0	0	0	109.8
5	I	43.6	Very low	39.3	Very low	153 Å²	153	141.9 Å²	141.9	79%	0.785	82%	0.821	S	S	*	*			trans	67.2	68.2	151.6	-45.6	159.8	0	0	0	115.7
6	L	41.1	Very low	39.4	Very low	180 Å²	180	141.4 Å²	141.4	94%	0.942	81%	0.814	S	S	*	*			trans	-106.2	95.4	145.2	-108.7	98.3	0	0	0	107.3
7	G	43.9	Very low	39.3	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	82%	0.823	S	S	*	*	S	Bend	trans	-179.2	31.7	-178.2	0	0	0	0	0	114.7
8	S	47.2	Very low	38.8	Very low	118 Å²	118	150.6 Å²	150.6	83%	0.825	83%	0.827	S	S	*	*	S	Bend	trans	-167	38	161.8	-137.2	0	0	0	0	114.5
9	V	45.2	Very low	38.5	Very low	112 Å²	112	148.1 Å²	148.1	68%	0.679	82%	0.819	S	S	*	*	S	Bend	trans	-130.7	-8.7	171.3	-175.2	0	0	0	0	113
10	C	40.6	Very low	38.5	Very low	107 Å²	107	153.5 Å²	153.5	72%	0.723	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	2.9	-180	-85.6	0	0	0	0	115.9
11	A	38.3	Very low	38.2	Very low	96 Å²	96	151.8 Å²	151.8	79%	0.793	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	0.8	176.7	0	0	0	0	0	114
12	L	41	Very low	38.5	Very low	155 Å²	155	152.2 Å²	152.2	81%	0.812	81%	0.814	S	S	*	*	S	Bend	trans	-116.7	5.3	179.9	-110.7	137.7	0	0	0	114.1
13	L	37.6	Very low	38.5	Very low	119 Å²	119	143.7 Å²	143.7	62%	0.623	80%	0.801	S	S	*	*	S	Bend	trans	-117.7	9.6	179.7	-85.2	158.9	0	0	0	114.1
14	L	34	Very low	38.3	Very low	162 Å²	162	145.5 Å²	145.5	85%	0.848	80%	0.796	S	S	*	*	S	Bend	trans	-109.1	16	173.9	-75.3	168.6	0	0	0	113.7
15	L	36.3	Very low	38	Very low	168 Å²	168	149 Å²	149	88%	0.88	80%	0.801	S	S	*	*	S	Bend	trans	-105.9	13.2	165.2	-76.8	169.7	0	0	0	112.6
16	L	40.4	Very low	37.7	Very low	134 Å²	134	146.8 Å²	146.8	70%	0.702	79%	0.794	S	S	*	*	S	Bend	trans	-127.8	68	179.6	-75	168.6	0	0	0	110.8
17	W	37.1	Very low	37.4	Very low	256 Å²	256	143.9 Å²	143.9	97%	0.97	78%	0.784	S	S	*	*			trans	-177.3	103.8	146.7	-108.9	8.8	0	0	0	111.8
18	E	30.4	Very low	37.4	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	78%	0.78	S	S	*	*			trans	-137.5	156	153.6	-95.9	-163.4	-179	0	0	109.2
19	P	32.7	Very low	37.5	Very low	104 Å²	104	144.6 Å²	144.6	68%	0.675	77%	0.774	S	S	*	*			trans	-85.3	153.2	-137.1	31.6	-34.8	0	0	0	114.4	C21	P19-C21 PolarHBondContact O-N 2.99Å
20	R	38.7	Very low	38.5	Very low	256 Å²	256	142.5 Å²	142.5	97%	0.966	76%	0.761	S	S	*	*			trans	-47.2	97.4	165	-78.4	176.9	179.9	168.2	-0.4	110.8
21	C	32.1	Very low	40.7	Very low	118 Å²	118	139.5 Å²	139.5	80%	0.797	74%	0.74	S	S	*	*			trans	-90.4	119.4	147.3	-71.4	0	0	0	0	106.5	P19 G23	P19-C21 PolarHBondContact O-N 2.99Å; C21-G23 PolarHBondContact O-N 3.25Å
22	R	41.6	Very low	43.3	Very low	243 Å²	243	135.6 Å²	135.6	92%	0.917	71%	0.706	S	S	*	*			trans	-53.8	92.8	163.5	-89.3	172.8	168.5	175.8	-4.5	107.5	D24	R22-D24 PolarHBondContact O-N 3.09Å
23	G	30	Very low	45.8	Very low	64 Å²	64	128.8 Å²	128.8	66%	0.66	67%	0.67	S	S	*	*			trans	-68.1	118.6	147.2	0	0	0	0	0	104.7	C21 E25	C21-G23 PolarHBondContact O-N 3.25Å; G23-E25 VanDerWaalsContact C-N 3.34Å; G23-E25 PolarHBondContact O-N 3Å
24	D	33.8	Very low	48.6	Very low	145 Å²	145	123.9 Å²	123.9	78%	0.775	65%	0.646	S	S	*	*			trans	-50.6	109.3	161.5	-72	-40.7	0	0	0	106.1	R22 V26	R22-D24 PolarHBondContact O-N 3.09Å; D24-V26 HydrophobicContact CB-CG2 4.36Å; D24-V26 PolarHBondContact O-N 2.83Å
25	E	32.5	Very low	51.5	Low	177 Å²	177	116.2 Å²	116.2	83%	0.827	61%	0.606	S	S	*	*			trans	-59.6	85.8	152.2	-91	179.3	163	0	0	104.4	G23 T27	G23-E25 VanDerWaalsContact C-N 3.34Å; G23-E25 PolarHBondContact O-N 3Å; E25-T27 PolarHBondContact O-N 2.87Å
26	V	36.6	Very low	54.3	Low	108 Å²	108	114.8 Å²	114.8	66%	0.655	59%	0.59	S	S	*	*			trans	-60	88.7	150	-174.8	0	0	0	0	102.7	D24 T28	D24-V26 HydrophobicContact CB-CG2 4.36Å; D24-V26 PolarHBondContact O-N 2.83Å; V26-T28 HydrophobicContact CG1-CG2 3.7Å; V26-T28 PolarHBondContact O-N 3Å
27	T	36.6	Very low	56.8	Low	118 Å²	118	109.8 Å²	109.8	72%	0.724	56%	0.563	S	S	*	*			trans	-57.6	86.9	151.2	40.9	0	0	0	0	103.7	E25 S29	E25-T27 PolarHBondContact O-N 2.87Å; T27-S29 PolarHBondContact O-N 2.86Å
28	T	42	Very low	59.6	Low	105 Å²	105	98.3 Å²	98.3	64%	0.644	52%	0.522	S	S	*	.			trans	-62.2	83.9	159.2	42.7	0	0	0	0	103.7	V26 T30	V26-T28 HydrophobicContact CG1-CG2 3.7Å; V26-T28 PolarHBondContact O-N 3Å; T28-T30 PolarHBondContact O-N 2.03Å
29	S	49.8	Very low	62.7	Low	98 Å²	98	90.1 Å²	90.1	69%	0.685	49%	0.486	S	S	*	.			trans	-55.6	97.3	163.4	169.5	0	0	0	0	104.4	T27 V31	T27-S29 PolarHBondContact O-N 2.86Å; S29-V31 PolarHBondContact O-N 3.17Å
30	T	67.1	Low	65.7	Low	68 Å²	68	87.3 Å²	87.3	42%	0.417	46%	0.463	S	S	.	.			trans	-69.8	88.1	177.2	39.6	0	0	0	0	106	T28 N32 D51	T28-T30 PolarHBondContact O-N 2.03Å; T30-N32 PolarHBondContact O-N 3.43Å; T30-D51 HydrophobicContact CG2-CB 3.82Å
31	V	85.9	Confident	68.3	Low	45 Å²	45	77.3 Å²	77.3	27%	0.273	43%	0.428	S	S	.	.			trans	-53.6	132.3	175.7	175.6	0	0	0	0	107.6	S29 P33 C35 Y36 P158	S29-V31 PolarHBondContact O-N 3.17Å; V31-P33 WeakPolarHBondContact O-CD 3.47Å; V31-P33 VanDerWaalsContact O-N 3.07Å; V31-C35 HydrophobicContact CG1-CB 4.37Å; V31-Y36 HydrophobicContact CB-CE2 4.47Å; V31-Y36 HydrophobicContact CG1-CE2 4.03Å; V31-P158 HydrophobicContact CG1-CG 4.18Å
32	N	92.5	Very high	71.2	Confident	14 Å²	14	76 Å²	76	8%	0.075	41%	0.406	C	S	.	.			trans	-51.8	118.9	177.6	176.5	-12.1	0	0	0	110	T30 C34 C35 R47 P154 D156	T30-N32 PolarHBondContact O-N 3.43Å; N32-C34 PolarHBondContact O-N 2.94Å; N32-C34 PolarHBondContact OD1-N 2.8Å; N32-C35 WeakPolarHBondContact O-CB 3.4Å; N32-C35 PolarHBondContact O-N 3.06Å; N32-R47 PolarHBondContact ND2-NH1 3.31Å; N32-P154 WeakPolarHBondContact ND2-CB 3.21Å; N32-D156 VanDerWaalsContact CB-OD2 3.32Å; N32-D156 WeakPolarHBondContact CB-OD2 3.07Å; N32-D156 PolarHBondContact ND2-OD1 2.79Å; N32-D156 PolarHBondContact ND2-OD2 3.34Å
33	P	94.4	Very high	73.6	Confident	11 Å²	11	65.3 Å²	65.3	7%	0.071	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-62.9	-27.7	-173.5	22.8	-33.7	0	0	0	112.7	V31 C35 Y36 Y53	V31-P33 WeakPolarHBondContact O-CD 3.47Å; V31-P33 VanDerWaalsContact O-N 3.07Å; P33-C35 PolarHBondContact O-N 2.6Å; P33-Y36 WeakPolarHBondContact O-CD2 3.08Å; P33-Y36 PolarHBondContact O-N 3.12Å; P33-Y53 HydrophobicContact CB-CD1 3.56Å; P33-Y53 HydrophobicContact CB-CE1 4.46Å; P33-Y53 HydrophobicContact CB-CG 4.05Å; P33-Y53 HydrophobicContact CG-CD1 4.26Å; P33-Y53 HydrophobicContact CG-CG 4.46Å
34	C	95.7	Very high	76.6	Confident	16 Å²	16	65 Å²	65	11%	0.108	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-71.4	-11	175.7	-63.1	0	0	0	0	113.2	N32 Y36 L37 C45	N32-C34 PolarHBondContact O-N 2.94Å; N32-C34 PolarHBondContact OD1-N 2.8Å; C34-Y36 PolarHBondContact O-N 2.67Å; C34-L37 WeakPolarHBondContact O-CD2 3.4Å; C34-L37 PolarHBondContact O-N 3.42Å; C34-L37 VanDerWaalsContact O-N 3.07Å; C34-C45 WeakPolarHBondContact CA-SG 3.46Å; C34-C45 HydrophobicContact CB-CB 3.92Å; C34-C45 WeakPolarHBondContact CB-SG 3.27Å; C34-C45 WeakPolarHBondContact SG-CB 3.38Å; C34-C45 CovalentContact SG-SG 2.05Å; C34-C45 PolarHBondContact SG-SG 3.5Å
35	C	95.9	Very high	79.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-67.1	-22	171.6	-68.6	0	0	0	0	113.4	V31 N32 P33 L37 C157 G162 V163	V31-C35 HydrophobicContact CG1-CB 4.37Å; N32-C35 WeakPolarHBondContact O-CB 3.4Å; N32-C35 PolarHBondContact O-N 3.06Å; P33-C35 PolarHBondContact O-N 2.6Å; C35-L37 PolarHBondContact O-N 3.38Å; C35-C157 VanDerWaalsContact CA-SG 3.56Å; C35-C157 HydrophobicContact CB-CB 3.86Å; C35-C157 WeakPolarHBondContact CB-SG 3.39Å; C35-C157 WeakPolarHBondContact SG-CA 3.19Å; C35-C157 WeakPolarHBondContact SG-CB 3.13Å; C35-C157 CovalentContact SG-SG 2.03Å; C35-C157 PolarHBondContact SG-SG 3.33Å; C35-G162 WeakPolarHBondContact O-CA 3.13Å; C35-V163 HydrophobicContact CB-CG1 3.92Å
36	Y	94.9	Very high	82.6	Confident	139 Å²	139	55 Å²	55	55%	0.545	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-77.7	-6	173	-65.9	-89.8	0	0	0	112.6	V31 P33 C34 V163	V31-Y36 HydrophobicContact CB-CE2 4.47Å; V31-Y36 HydrophobicContact CG1-CE2 4.03Å; P33-Y36 WeakPolarHBondContact O-CD2 3.08Å; P33-Y36 PolarHBondContact O-N 3.12Å; C34-Y36 PolarHBondContact O-N 2.67Å; Y36-V163 HydrophobicContact CD1-CB 4.2Å; Y36-V163 HydrophobicContact CD1-CG1 3.84Å; Y36-V163 HydrophobicContact CD1-CG2 3.67Å; Y36-V163 HydrophobicContact CD2-CG1 4.15Å; Y36-V163 HydrophobicContact CE1-CB 4.13Å; Y36-V163 HydrophobicContact CE1-CG1 3.78Å; Y36-V163 HydrophobicContact CE1-CG2 4.02Å; Y36-V163 HydrophobicContact CE2-CG1 4.11Å; Y36-V163 HydrophobicContact CG-CG1 4.01Å; Y36-V163 HydrophobicContact CG-CG2 4.31Å
37	L	93.6	Very high	85.3	Confident	28 Å²	28	54.6 Å²	54.6	15%	0.147	30%	0.298	C	S	.	.			trans	48.3	52.9	-175.8	-53.2	174.4	0	0	0	111.8	C34 C35 C39 Q40 E463	C34-L37 WeakPolarHBondContact O-CD2 3.4Å; C34-L37 PolarHBondContact O-N 3.42Å; C34-L37 VanDerWaalsContact O-N 3.07Å; C35-L37 PolarHBondContact O-N 3.38Å; L37-C39 PolarHBondContact O-N 3.45Å; L37-Q40 PolarHBondContact O-NE2 3.17Å; L37-Q40 VanDerWaalsContact O-NE2 3.07Å; L37-E463 HydrophobicContact CD1-CG 3.51Å
38	P	95.1	Very high	87.9	Confident	16 Å²	16	54.4 Å²	54.4	10%	0.104	28%	0.284	C	S	.	.			trans	-70.9	-30.9	-165.8	28.8	-35.5	0	0	0	113.1	Q40 Y53 N66	P38-Q40 PolarHBondContact O-N 3.26Å; P38-Q40 PolarHBondContact O-NE2 2.96Å; P38-Y53 HydrophobicContact CB-CD2 4.25Å; P38-Y53 HydrophobicContact CB-CE2 3.54Å; P38-Y53 HydrophobicContact CG-CD2 3.5Å; P38-Y53 HydrophobicContact CG-CE2 3.32Å; P38-Y53 HydrophobicContact CG-CG 4.18Å; P38-N66 WeakPolarHBondContact O-CB 3.46Å
39	C	95.6	Very high	90.2	Very high	19 Å²	19	52.5 Å²	52.5	13%	0.128	29%	0.286	C	S	.	.			trans	-76	116.2	-174.4	-55.9	0	0	0	0	111.8	L37 S43 C45 C55	L37-C39 PolarHBondContact O-N 3.45Å; C39-S43 WeakPolarHBondContact CA-OG 3.26Å; C39-S43 WeakPolarHBondContact CB-OG 3.31Å; C39-C45 HydrophobicContact CB-CB 4.35Å; C39-C45 WeakPolarHBondContact SG-CA 3.34Å; C39-C45 WeakPolarHBondContact SG-CB 3.3Å; C39-C55 WeakPolarHBondContact CA-SG 3.3Å; C39-C55 HydrophobicContact CB-CB 3.75Å; C39-C55 WeakPolarHBondContact CB-SG 3.16Å; C39-C55 WeakPolarHBondContact SG-CA 3.33Å; C39-C55 WeakPolarHBondContact SG-CB 3.39Å; C39-C55 CovalentContact SG-SG 2.03Å; C39-C55 PolarHBondContact SG-SG 3.45Å
40	Q	95.3	Very high	91.8	Very high	44 Å²	44	55.3 Å²	55.3	21%	0.206	29%	0.288	C	S	.	.			trans	-98.1	167.8	-177.1	-55.4	-50.7	-57.7	0	0	112.6	L37 P38 W42 S43 N66 T68	L37-Q40 PolarHBondContact O-NE2 3.17Å; L37-Q40 VanDerWaalsContact O-NE2 3.07Å; P38-Q40 PolarHBondContact O-N 3.26Å; P38-Q40 PolarHBondContact O-NE2 2.96Å; Q40-W42 PolarHBondContact O-N 3.26Å; Q40-S43 PolarHBondContact N-OG 3.18Å; Q40-S43 WeakPolarHBondContact O-CB 3.39Å; Q40-S43 PolarHBondContact O-N 2.84Å; Q40-S43 PolarHBondContact O-OG 2.8Å; Q40-N66 PolarHBondContact N-O 3.38Å; Q40-T68 HydrophobicContact CB-CG2 4.2Å; Q40-T68 HydrophobicContact CG-CG2 3.83Å
41	H	93.4	Very high	92.8	Very high	47 Å²	47	56.3 Å²	56.3	22%	0.218	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	59.7	171.2	-46.1	108.2	0	0	0	113.9	S43 T60 Y62 C67	H41-S43 PolarHBondContact O-N 3.36Å; H41-T60 WeakPolarHBondContact O-CB 3.31Å; H41-T60 WeakPolarHBondContact O-CG2 3.43Å; H41-Y62 HydrophobicContact CB-CD2 3.55Å; H41-Y62 HydrophobicContact CB-CE2 3.56Å; H41-Y62 HydrophobicContact CB-CG 4.25Å; H41-Y62 AromaticContact CD2-CE2 3.56Å; H41-Y62 AromaticContact CD2-CZ 3.41Å; H41-Y62 VanDerWaalsContact CD2-CZ 3.41Å; H41-Y62 PolarHBondContact CD2-OH 3.16Å; H41-Y62 AromaticContact CE1-CD1 3.77Å; H41-Y62 AromaticContact CE1-CE1 3.36Å; H41-Y62 WeakPolarHBondContact CE1-CE1 3.34Å; H41-Y62 AromaticContact CE1-CZ 3.55Å; H41-Y62 AromaticContact CG-CD2 3.62Å; H41-Y62 AromaticContact CG-CE2 3.35Å; H41-Y62 AromaticContact CG-CZ 3.54Å; H41-Y62 AromaticContact ND1-CD1 3.6Å; H41-Y62 AromaticContact ND1-CD2 3.77Å; H41-Y62 AromaticContact ND1-CE1 3.57Å; H41-Y62 AromaticContact ND1-CE2 3.74Å; H41-Y62 AromaticContact ND1-CG 3.7Å; H41-Y62 AromaticContact ND1-CZ 3.62Å; H41-Y62 AromaticContact NE2-CE1 3.66Å; H41-Y62 AromaticContact NE2-CZ 3.41Å; H41-Y62 PolarHBondContact NE2-OH 3.11Å; H41-C67 PolarHBondContact ND1-O 3.36Å
42	W	92.4	Very high	93.1	Very high	91 Å²	91	59.5 Å²	59.5	35%	0.345	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	1.4	176.4	-50.7	-88.5	0	0	0	116.9	Q40 L121 R467 N469	Q40-W42 PolarHBondContact O-N 3.26Å; W42-L121 HydrophobicContact CZ2-CD2 4.09Å; W42-R467 VanDerWaalsContact CD1-CD 3.43Å; W42-R467 VanDerWaalsContact CD1-NH1 3.34Å; W42-R467 PolarHBondContact NE1-O 2.76Å; W42-N469 VanDerWaalsContact CH2-CG 3.45Å; W42-N469 WeakPolarHBondContact CH2-ND2 3.38Å; W42-N469 WeakPolarHBondContact CH2-OD1 3.11Å; W42-N469 VanDerWaalsContact CZ2-CG 3.43Å; W42-N469 WeakPolarHBondContact CZ2-ND2 3.41Å; W42-N469 WeakPolarHBondContact CZ2-OD1 3.32Å
43	S	92.9	Very high	93.3	Very high	17 Å²	17	61 Å²	61	12%	0.119	31%	0.306	C	S	.	.			trans	-67.8	155.7	175.6	56.6	0	0	0	0	111.9	C39 Q40 H41 D56 C67	C39-S43 WeakPolarHBondContact CA-OG 3.26Å; C39-S43 WeakPolarHBondContact CB-OG 3.31Å; Q40-S43 PolarHBondContact N-OG 3.18Å; Q40-S43 WeakPolarHBondContact O-CB 3.39Å; Q40-S43 PolarHBondContact O-N 2.84Å; Q40-S43 PolarHBondContact O-OG 2.8Å; H41-S43 PolarHBondContact O-N 3.36Å; S43-D56 VanDerWaalsContact CA-O 3.29Å; S43-D56 WeakPolarHBondContact CA-O 3.37Å; S43-D56 WeakPolarHBondContact CB-O 3.4Å; S43-C67 WeakPolarHBondContact CB-SG 3.4Å; S43-C67 PolarHBondContact OG-SG 2.95Å; S43-C67 VanDerWaalsContact OG-SG 3.35Å
44	V	92.9	Very high	93.4	Very high	58 Å²	58	66.6 Å²	66.6	35%	0.352	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	-176.2	-178.4	0	0	0	0	109.4	V46 C55 D56	V44-V46 HydrophobicContact CG1-CG2 4.48Å; V44-V46 PolarHBondContact O-N 3.32Å; V44-C55 WeakPolarHBondContact O-CA 3.17Å; V44-D56 PolarHBondContact N-O 3.08Å; V44-D56 PolarHBondContact O-N 3.32Å
45	C	96	Very high	93.5	Very high	38 Å²	38	66.2 Å²	66.2	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.7	172.9	-167.6	0	0	0	0	110.2	C34 C39	C34-C45 WeakPolarHBondContact CA-SG 3.46Å; C34-C45 HydrophobicContact CB-CB 3.92Å; C34-C45 WeakPolarHBondContact CB-SG 3.27Å; C34-C45 WeakPolarHBondContact SG-CB 3.38Å; C34-C45 CovalentContact SG-SG 2.05Å; C34-C45 PolarHBondContact SG-SG 3.5Å; C39-C45 HydrophobicContact CB-CB 4.35Å; C39-C45 WeakPolarHBondContact SG-CA 3.34Å; C39-C45 WeakPolarHBondContact SG-CB 3.3Å
46	V	95.6	Very high	93.5	Very high	75 Å²	75	70 Å²	70	46%	0.455	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.5	174.7	-176.7	0	0	0	0	108.2	V44 Y53 E54	V44-V46 HydrophobicContact CG1-CG2 4.48Å; V44-V46 PolarHBondContact O-N 3.32Å; V46-Y53 CarbonylContact O-C 3.56Å; V46-Y53 VanDerWaalsContact O-CA 3.31Å; V46-Y53 WeakPolarHBondContact O-CA 3.39Å; V46-E54 PolarHBondContact N-O 3.39Å; V46-E54 PolarHBondContact O-N 2.95Å
47	R	93.8	Very high	93.6	Very high	98 Å²	98	64.5 Å²	64.5	37%	0.37	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.9	174.6	-171.4	176.1	179.9	169	1.8	109.5	N32 E50 D156	N32-R47 PolarHBondContact ND2-NH1 3.31Å; R47-E50 PolarHBondContact NH2-O 3.46Å; R47-D156 IonicContact NH1-OD2 2.91Å; R47-D156 PolarHBondContact NH1-OD2 2.87Å
48	Y	91.3	Very high	93.7	Very high	114 Å²	114	67.6 Å²	67.6	45%	0.447	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.2	172.1	71.7	-93.5	0	0	0	110.7	K52 Y53 E54	Y48-K52 HydrophobicContact CD1-CB 4.29Å; Y48-K52 HydrophobicContact CD2-CB 3.87Å; Y48-K52 HydrophobicContact CD2-CD 4.3Å; Y48-K52 HydrophobicContact CE1-CB 3.92Å; Y48-K52 HydrophobicContact CE2-CB 3.44Å; Y48-K52 VanDerWaalsContact CE2-CB 3.44Å; Y48-K52 HydrophobicContact CE2-CD 3.46Å; Y48-K52 VanDerWaalsContact CE2-CD 3.46Å; Y48-K52 HydrophobicContact CE2-CG 4.08Å; Y48-K52 HydrophobicContact CG-CB 4.26Å; Y48-K52 VanDerWaalsContact CZ-CB 3.44Å; Y48-K52 PolarHBondContact N-O 3.08Å; Y48-K52 CarbonylContact O-C 3.41Å; Y48-K52 WeakPolarHBondContact O-CA 3.44Å; Y48-K52 WeakPolarHBondContact O-CB 3.44Å; Y48-K52 PolarHBondContact O-N 2.87Å; Y48-Y53 WeakPolarHBondContact CE1-O 3.22Å; Y48-E54 HydrophobicContact CD1-CB 3.98Å; Y48-E54 HydrophobicContact CE1-CB 3.79Å
49	G	89.4	Confident	93.7	Very high	66 Å²	66	76 Å²	76	68%	0.68	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-158.1	-168.5	0	0	0	0	0	112.1
50	E	83.7	Confident	93.6	Very high	157 Å²	157	76 Å²	76	73%	0.734	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-37	-177.3	-64.1	-173	168	0	0	112.3	R47	R47-E50 PolarHBondContact NH2-O 3.46Å
51	D	88.1	Confident	93.6	Very high	89 Å²	89	74.5 Å²	74.5	48%	0.476	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	6.2	-167.1	64.9	-27.8	0	0	0	114.5	T30	T30-D51 HydrophobicContact CG2-CB 3.82Å
52	K	93.8	Very high	93.8	Very high	112 Å²	112	72.8 Å²	72.8	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	160.2	-175.8	-54.6	178.6	-178.6	178	0	113	Y48	Y48-K52 HydrophobicContact CD1-CB 4.29Å; Y48-K52 HydrophobicContact CD2-CB 3.87Å; Y48-K52 HydrophobicContact CD2-CD 4.3Å; Y48-K52 HydrophobicContact CE1-CB 3.92Å; Y48-K52 HydrophobicContact CE2-CB 3.44Å; Y48-K52 VanDerWaalsContact CE2-CB 3.44Å; Y48-K52 HydrophobicContact CE2-CD 3.46Å; Y48-K52 VanDerWaalsContact CE2-CD 3.46Å; Y48-K52 HydrophobicContact CE2-CG 4.08Å; Y48-K52 HydrophobicContact CG-CB 4.26Å; Y48-K52 VanDerWaalsContact CZ-CB 3.44Å; Y48-K52 PolarHBondContact N-O 3.08Å; Y48-K52 CarbonylContact O-C 3.41Å; Y48-K52 WeakPolarHBondContact O-CA 3.44Å; Y48-K52 WeakPolarHBondContact O-CB 3.44Å; Y48-K52 PolarHBondContact O-N 2.87Å
53	Y	96.1	Very high	94	Very high	44 Å²	44	74.7 Å²	74.7	17%	0.173	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.1	175.7	73.9	-73.7	0	0	0	110.6	P33 P38 V46 Y48 E65 N66	P33-Y53 HydrophobicContact CB-CD1 3.56Å; P33-Y53 HydrophobicContact CB-CE1 4.46Å; P33-Y53 HydrophobicContact CB-CG 4.05Å; P33-Y53 HydrophobicContact CG-CD1 4.26Å; P33-Y53 HydrophobicContact CG-CG 4.46Å; P38-Y53 HydrophobicContact CB-CD2 4.25Å; P38-Y53 HydrophobicContact CB-CE2 3.54Å; P38-Y53 HydrophobicContact CG-CD2 3.5Å; P38-Y53 HydrophobicContact CG-CE2 3.32Å; P38-Y53 HydrophobicContact CG-CG 4.18Å; V46-Y53 CarbonylContact O-C 3.56Å; V46-Y53 VanDerWaalsContact O-CA 3.31Å; V46-Y53 WeakPolarHBondContact O-CA 3.39Å; Y48-Y53 WeakPolarHBondContact CE1-O 3.22Å; Y53-E65 PolarHBondContact OH-OE1 2.91Å; Y53-N66 WeakPolarHBondContact CE2-OD1 3.27Å; Y53-N66 PolarHBondContact OH-OD1 3.47Å
54	E	96.8	Very high	94.2	Very high	129 Å²	129	75.8 Å²	75.8	60%	0.603	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	143.1	169.9	-173.6	170.6	-171.7	0	0	108.4	V46 Y48	V46-E54 PolarHBondContact N-O 3.39Å; V46-E54 PolarHBondContact O-N 2.95Å; Y48-E54 HydrophobicContact CD1-CB 3.98Å; Y48-E54 HydrophobicContact CE1-CB 3.79Å
55	C	97.3	Very high	94.3	Very high	9 Å²	9	79.9 Å²	79.9	6%	0.061	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120	170.5	-61.3	0	0	0	0	109.9	C39 V44 C57 E65 C67	C39-C55 WeakPolarHBondContact CA-SG 3.3Å; C39-C55 HydrophobicContact CB-CB 3.75Å; C39-C55 WeakPolarHBondContact CB-SG 3.16Å; C39-C55 WeakPolarHBondContact SG-CA 3.33Å; C39-C55 WeakPolarHBondContact SG-CB 3.39Å; C39-C55 CovalentContact SG-SG 2.03Å; C39-C55 PolarHBondContact SG-SG 3.45Å; V44-C55 WeakPolarHBondContact O-CA 3.17Å; C55-C57 PolarHBondContact O-N 2.83Å; C55-C57 VanDerWaalsContact O-N 3.16Å; C55-E65 WeakPolarHBondContact CB-O 3.36Å; C55-E65 PolarHBondContact SG-O 3.4Å; C55-E65 VanDerWaalsContact SG-O 3.33Å; C55-C67 WeakPolarHBondContact CB-SG 3.33Å
56	D	96.6	Very high	94.3	Very high	79 Å²	79	80.2 Å²	80.2	42%	0.422	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	102.1	169.9	-176.2	-1.5	0	0	0	109.5	S43 V44 T58	S43-D56 VanDerWaalsContact CA-O 3.29Å; S43-D56 WeakPolarHBondContact CA-O 3.37Å; S43-D56 WeakPolarHBondContact CB-O 3.4Å; V44-D56 PolarHBondContact N-O 3.08Å; V44-D56 PolarHBondContact O-N 3.32Å; D56-T58 VanDerWaalsContact C-N 3.3Å; D56-T58 WeakPolarHBondContact OD1-CB 3.39Å; D56-T58 PolarHBondContact OD1-N 3.29Å; D56-T58 PolarHBondContact OD1-OG1 2.68Å
57	C	96.6	Very high	94.4	Very high	25 Å²	25	76.7 Å²	76.7	17%	0.169	39%	0.39	C	S	.	.			trans	-87	7	179.4	-47.2	0	0	0	0	113.8	C55 H59 T60 Y62 G64 C67	C55-C57 PolarHBondContact O-N 2.83Å; C55-C57 VanDerWaalsContact O-N 3.16Å; C57-H59 PolarHBondContact O-N 2.89Å; C57-T60 WeakPolarHBondContact O-CB 3.32Å; C57-T60 WeakPolarHBondContact O-CG2 3.43Å; C57-T60 PolarHBondContact O-N 2.77Å; C57-T60 VanDerWaalsContact O-N 3.11Å; C57-T60 PolarHBondContact O-OG1 2.81Å; C57-Y62 VanDerWaalsContact CB-O 3.3Å; C57-Y62 WeakPolarHBondContact CB-O 3.49Å; C57-G64 PolarHBondContact SG-O 3.26Å; C57-C67 WeakPolarHBondContact CA-SG 3.31Å; C57-C67 HydrophobicContact CB-CB 3.8Å; C57-C67 WeakPolarHBondContact CB-SG 3.44Å; C57-C67 WeakPolarHBondContact SG-CA 3.43Å; C57-C67 WeakPolarHBondContact SG-CB 3.16Å; C57-C67 CovalentContact SG-SG 2.02Å; C57-C67 PolarHBondContact SG-SG 3.17Å
58	T	96.3	Very high	94.5	Very high	93 Å²	93	75.6 Å²	75.6	57%	0.571	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	127.1	-172.6	-60.6	0	0	0	0	112	D56 T60	D56-T58 VanDerWaalsContact C-N 3.3Å; D56-T58 WeakPolarHBondContact OD1-CB 3.39Å; D56-T58 PolarHBondContact OD1-N 3.29Å; D56-T58 PolarHBondContact OD1-OG1 2.68Å; T58-T60 PolarHBondContact O-N 3.17Å; T58-T60 VanDerWaalsContact O-N 3.08Å
59	H	93.3	Very high	94.8	Very high	193 Å²	193	72.6 Å²	72.6	89%	0.894	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	18.1	-179	-60.3	-59.5	0	0	0	116.1	C57	C57-H59 PolarHBondContact O-N 2.89Å
60	T	94.5	Very high	95.2	Very high	19 Å²	19	70.7 Å²	70.7	12%	0.117	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-20.6	174.2	64	0	0	0	0	112.7	H41 C57 T58 Y62	H41-T60 WeakPolarHBondContact O-CB 3.31Å; H41-T60 WeakPolarHBondContact O-CG2 3.43Å; C57-T60 WeakPolarHBondContact O-CB 3.32Å; C57-T60 WeakPolarHBondContact O-CG2 3.43Å; C57-T60 PolarHBondContact O-N 2.77Å; C57-T60 VanDerWaalsContact O-N 3.11Å; C57-T60 PolarHBondContact O-OG1 2.81Å; T58-T60 PolarHBondContact O-N 3.17Å; T58-T60 VanDerWaalsContact O-N 3.08Å; T60-Y62 VanDerWaalsContact C-N 3.3Å; T60-Y62 WeakPolarHBondContact O-CD2 3.49Å; T60-Y62 PolarHBondContact OG1-N 2.85Å; T60-Y62 VanDerWaalsContact OG1-N 3.16Å; T60-Y62 PolarHBondContact OG1-O 3.36Å
61	G	95.7	Very high	95.8	Very high	11 Å²	11	67.8 Å²	67.8	11%	0.113	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	13.7	-168.9	0	0	0	0	0	113.5	E71 T74	G61-E71 WeakPolarHBondContact O-CG 3.32Å; G61-E71 PolarHBondContact O-N 3.32Å; G61-T74 WeakPolarHBondContact CA-OG1 3.4Å; G61-T74 VanDerWaalsContact O-CB 3.3Å; G61-T74 WeakPolarHBondContact O-CB 3.48Å; G61-T74 PolarHBondContact O-OG1 2.94Å
62	Y	97.1	Very high	96.2	Very high	12 Å²	12	69.4 Å²	69.4	5%	0.047	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161	177.7	-65	-96.4	0	0	0	111.5	H41 C57 T60 C67 V69 P70 T74 R78	H41-Y62 HydrophobicContact CB-CD2 3.55Å; H41-Y62 HydrophobicContact CB-CE2 3.56Å; H41-Y62 HydrophobicContact CB-CG 4.25Å; H41-Y62 AromaticContact CD2-CE2 3.56Å; H41-Y62 AromaticContact CD2-CZ 3.41Å; H41-Y62 VanDerWaalsContact CD2-CZ 3.41Å; H41-Y62 PolarHBondContact CD2-OH 3.16Å; H41-Y62 AromaticContact CE1-CD1 3.77Å; H41-Y62 AromaticContact CE1-CE1 3.36Å; H41-Y62 WeakPolarHBondContact CE1-CE1 3.34Å; H41-Y62 AromaticContact CE1-CZ 3.55Å; H41-Y62 AromaticContact CG-CD2 3.62Å; H41-Y62 AromaticContact CG-CE2 3.35Å; H41-Y62 AromaticContact CG-CZ 3.54Å; H41-Y62 AromaticContact ND1-CD1 3.6Å; H41-Y62 AromaticContact ND1-CD2 3.77Å; H41-Y62 AromaticContact ND1-CE1 3.57Å; H41-Y62 AromaticContact ND1-CE2 3.74Å; H41-Y62 AromaticContact ND1-CG 3.7Å; H41-Y62 AromaticContact ND1-CZ 3.62Å; H41-Y62 AromaticContact NE2-CE1 3.66Å; H41-Y62 AromaticContact NE2-CZ 3.41Å; H41-Y62 PolarHBondContact NE2-OH 3.11Å; C57-Y62 VanDerWaalsContact CB-O 3.3Å; C57-Y62 WeakPolarHBondContact CB-O 3.49Å; T60-Y62 VanDerWaalsContact C-N 3.3Å; T60-Y62 WeakPolarHBondContact O-CD2 3.49Å; T60-Y62 PolarHBondContact OG1-N 2.85Å; T60-Y62 VanDerWaalsContact OG1-N 3.16Å; T60-Y62 PolarHBondContact OG1-O 3.36Å; Y62-C67 WeakPolarHBondContact CB-O 3.39Å; Y62-V69 CarbonylContact C-O 3.6Å; Y62-V69 VanDerWaalsContact CA-O 3.23Å; Y62-V69 WeakPolarHBondContact CA-O 3.41Å; Y62-P70 HydrophobicContact CD1-CB 3.9Å; Y62-P70 HydrophobicContact CE1-CB 3.65Å; Y62-P70 HydrophobicContact CE1-CG 4.46Å; Y62-T74 HydrophobicContact CD2-CG2 4.24Å; Y62-T74 HydrophobicContact CE1-CG2 4.12Å; Y62-T74 HydrophobicContact CE2-CG2 3.62Å; Y62-R78 WeakPolarHBondContact OH-CD 3.18Å; Y62-R78 PolarHBondContact OH-NH1 3.11Å
63	Y	96.6	Very high	96.3	Very high	131 Å²	131	73.5 Å²	73.5	51%	0.514	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-178.5	173.2	67.3	-87.5	0	0	0	111.5	T68 V69	Y63-T68 PolarHBondContact O-N 2.94Å; Y63-V69 HydrophobicContact CD1-CB 4.26Å; Y63-V69 HydrophobicContact CD1-CG1 4.38Å; Y63-V69 WeakPolarHBondContact CD1-O 3.4Å; Y63-V69 HydrophobicContact CD2-CB 4.12Å; Y63-V69 HydrophobicContact CD2-CG1 4.42Å; Y63-V69 HydrophobicContact CE1-CB 4.05Å; Y63-V69 HydrophobicContact CE1-CG1 3.67Å; Y63-V69 HydrophobicContact CE2-CB 3.89Å; Y63-V69 HydrophobicContact CE2-CG1 3.72Å; Y63-V69 HydrophobicContact CE2-CG2 4.45Å; Y63-V69 HydrophobicContact CG-CB 4.3Å; Y63-V69 PolarHBondContact N-O 3.17Å; Y63-V69 WeakPolarHBondContact O-CB 3.43Å; Y63-V69 PolarHBondContact O-N 2.83Å; Y63-V69 WeakPolarHBondContact OH-CG1 3.16Å
64	G	96.1	Very high	96.2	Very high	39 Å²	39	72.6 Å²	72.6	40%	0.402	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	172.9	-175	0	0	0	0	0	112.2	C57 N66 C67	C57-G64 PolarHBondContact SG-O 3.26Å; G64-N66 PolarHBondContact O-N 2.89Å; G64-N66 VanDerWaalsContact O-N 3.12Å; G64-C67 PolarHBondContact O-N 3Å; G64-C67 VanDerWaalsContact O-N 3.1Å
65	E	95.4	Very high	96.1	Very high	144 Å²	144	73.5 Å²	73.5	67%	0.673	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-39.9	-171.8	-170.1	-177.7	164.5	0	0	113.5	Y53 C55	Y53-E65 PolarHBondContact OH-OE1 2.91Å; C55-E65 WeakPolarHBondContact CB-O 3.36Å; C55-E65 PolarHBondContact SG-O 3.4Å; C55-E65 VanDerWaalsContact SG-O 3.33Å
66	N	97	Very high	96	Very high	46 Å²	46	75.8 Å²	75.8	25%	0.246	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	13.7	-177.5	-70.6	-26.7	0	0	0	114.1	P38 Q40 Y53 G64 T68	P38-N66 WeakPolarHBondContact O-CB 3.46Å; Q40-N66 PolarHBondContact N-O 3.38Å; Y53-N66 WeakPolarHBondContact CE2-OD1 3.27Å; Y53-N66 PolarHBondContact OH-OD1 3.47Å; G64-N66 PolarHBondContact O-N 2.89Å; G64-N66 VanDerWaalsContact O-N 3.12Å; N66-T68 VanDerWaalsContact C-N 3.33Å; N66-T68 HydrophobicContact CB-CG2 4Å; N66-T68 PolarHBondContact O-N 2.79Å
67	C	97.1	Very high	95.9	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	44.4	-175.5	-44	0	0	0	0	113.2	H41 S43 C55 C57 Y62 G64	H41-C67 PolarHBondContact ND1-O 3.36Å; S43-C67 WeakPolarHBondContact CB-SG 3.4Å; S43-C67 PolarHBondContact OG-SG 2.95Å; S43-C67 VanDerWaalsContact OG-SG 3.35Å; C55-C67 WeakPolarHBondContact CB-SG 3.33Å; C57-C67 WeakPolarHBondContact CA-SG 3.31Å; C57-C67 HydrophobicContact CB-CB 3.8Å; C57-C67 WeakPolarHBondContact CB-SG 3.44Å; C57-C67 WeakPolarHBondContact SG-CA 3.43Å; C57-C67 WeakPolarHBondContact SG-CB 3.16Å; C57-C67 CovalentContact SG-SG 2.02Å; C57-C67 PolarHBondContact SG-SG 3.17Å; Y62-C67 WeakPolarHBondContact CB-O 3.39Å; G64-C67 PolarHBondContact O-N 3Å; G64-C67 VanDerWaalsContact O-N 3.1Å
68	T	96.8	Very high	95.6	Very high	75 Å²	75	85 Å²	85	46%	0.46	41%	0.407	S	S	.	.			trans	-106.1	-15.2	-176.7	52.6	0	0	0	0	113.7	Q40 Y63 N66 P70	Q40-T68 HydrophobicContact CB-CG2 4.2Å; Q40-T68 HydrophobicContact CG-CG2 3.83Å; Y63-T68 PolarHBondContact O-N 2.94Å; N66-T68 VanDerWaalsContact C-N 3.33Å; N66-T68 HydrophobicContact CB-CG2 4Å; N66-T68 PolarHBondContact O-N 2.79Å; T68-P70 WeakPolarHBondContact O-CD 3.35Å
69	V	97.3	Very high	95.5	Very high	51 Å²	51	89.2 Å²	89.2	31%	0.309	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.4	-178.8	-169	0	0	0	0	109.3	Y62 Y63	Y62-V69 CarbonylContact C-O 3.6Å; Y62-V69 VanDerWaalsContact CA-O 3.23Å; Y62-V69 WeakPolarHBondContact CA-O 3.41Å; Y63-V69 HydrophobicContact CD1-CB 4.26Å; Y63-V69 HydrophobicContact CD1-CG1 4.38Å; Y63-V69 WeakPolarHBondContact CD1-O 3.4Å; Y63-V69 HydrophobicContact CD2-CB 4.12Å; Y63-V69 HydrophobicContact CD2-CG1 4.42Å; Y63-V69 HydrophobicContact CE1-CB 4.05Å; Y63-V69 HydrophobicContact CE1-CG1 3.67Å; Y63-V69 HydrophobicContact CE2-CB 3.89Å; Y63-V69 HydrophobicContact CE2-CG1 3.72Å; Y63-V69 HydrophobicContact CE2-CG2 4.45Å; Y63-V69 HydrophobicContact CG-CB 4.3Å; Y63-V69 PolarHBondContact N-O 3.17Å; Y63-V69 WeakPolarHBondContact O-CB 3.43Å; Y63-V69 PolarHBondContact O-N 2.83Å; Y63-V69 WeakPolarHBondContact OH-CG1 3.16Å
70	P	97	Very high	95.5	Very high	26 Å²	26	86 Å²	86	17%	0.169	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.7	-175.6	29.6	-34.1	0	0	0	111.6	Y62 T68 T74 R75	Y62-P70 HydrophobicContact CD1-CB 3.9Å; Y62-P70 HydrophobicContact CE1-CB 3.65Å; Y62-P70 HydrophobicContact CE1-CG 4.46Å; T68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-T74 HydrophobicContact CB-CG2 3.94Å; P70-R75 HydrophobicContact CB-CB 4.43Å; P70-R75 HydrophobicContact CG-CB 4.38Å
71	E	97.1	Very high	95.4	Very high	96 Å²	96	89.9 Å²	89.9	45%	0.449	42%	0.419	S	S	.	.			trans	-61.5	163.4	163.1	-66.9	172.6	-161.3	0	0	111.5	G61 W73 T74 R75	G61-E71 WeakPolarHBondContact O-CG 3.32Å; G61-E71 PolarHBondContact O-N 3.32Å; E71-W73 PolarHBondContact O-N 2.93Å; E71-T74 WeakPolarHBondContact O-CB 3.26Å; E71-T74 PolarHBondContact O-N 3.37Å; E71-R75 PolarHBondContact O-N 3.35Å
72	L	96.6	Very high	95.3	Very high	123 Å²	123	92.4 Å²	92.4	64%	0.644	43%	0.433	S	S	*	.	H	α-helix	trans	-54.3	-50.4	-178.6	-179.3	65.4	0	0	0	112.3	R75 V76	L72-R75 WeakPolarHBondContact O-CB 3.4Å; L72-R75 PolarHBondContact O-N 3.02Å; L72-V76 WeakPolarHBondContact O-CG2 3.21Å; L72-V76 PolarHBondContact O-N 2.88Å
73	W	95.2	Very high	95	Very high	199 Å²	199	94.5 Å²	94.5	75%	0.754	45%	0.45	S	S	*	.	H	α-helix	trans	-70.6	-32.6	-178.9	-72.3	117.2	0	0	0	112.9	E71 R75 V76 R77	E71-W73 PolarHBondContact O-N 2.93Å; W73-R75 VanDerWaalsContact C-N 3.34Å; W73-V76 HydrophobicContact CE3-CB 4.36Å; W73-V76 HydrophobicContact CE3-CG1 4.46Å; W73-V76 PolarHBondContact O-N 2.56Å; W73-R77 WeakPolarHBondContact O-CB 3.38Å; W73-R77 PolarHBondContact O-N 3.34Å
74	T	94.6	Very high	94.8	Very high	25 Å²	25	89.4 Å²	89.4	15%	0.153	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-43.1	171.6	-56.4	0	0	0	0	111	G61 Y62 P70 E71 R77 R78	G61-T74 WeakPolarHBondContact CA-OG1 3.4Å; G61-T74 VanDerWaalsContact O-CB 3.3Å; G61-T74 WeakPolarHBondContact O-CB 3.48Å; G61-T74 PolarHBondContact O-OG1 2.94Å; Y62-T74 HydrophobicContact CD2-CG2 4.24Å; Y62-T74 HydrophobicContact CE1-CG2 4.12Å; Y62-T74 HydrophobicContact CE2-CG2 3.62Å; P70-T74 HydrophobicContact CB-CG2 3.94Å; E71-T74 WeakPolarHBondContact O-CB 3.26Å; E71-T74 PolarHBondContact O-N 3.37Å; T74-R77 PolarHBondContact O-N 3.26Å; T74-R78 WeakPolarHBondContact O-CB 3.44Å; T74-R78 WeakPolarHBondContact O-CG 3.17Å; T74-R78 PolarHBondContact O-N 3.11Å
75	R	94.6	Very high	94.5	Very high	147 Å²	147	91.7 Å²	91.7	56%	0.555	44%	0.435	S	S	*	.	H	α-helix	trans	-61.5	-46.9	176	-172.1	-178.8	-66.6	174.6	0.1	111.5	P70 E71 L72 W73 R78 F79	P70-R75 HydrophobicContact CB-CB 4.43Å; P70-R75 HydrophobicContact CG-CB 4.38Å; E71-R75 PolarHBondContact O-N 3.35Å; L72-R75 WeakPolarHBondContact O-CB 3.4Å; L72-R75 PolarHBondContact O-N 3.02Å; W73-R75 VanDerWaalsContact C-N 3.34Å; R75-R78 PolarHBondContact O-N 3.15Å; R75-F79 WeakPolarHBondContact O-CB 3.48Å; R75-F79 PolarHBondContact O-N 2.88Å
76	V	95.4	Very high	94.4	Very high	58 Å²	58	88.2 Å²	88.2	35%	0.352	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-48	176.9	173.7	0	0	0	0	111	L72 W73 R78 F79 L80	L72-V76 WeakPolarHBondContact O-CG2 3.21Å; L72-V76 PolarHBondContact O-N 2.88Å; W73-V76 HydrophobicContact CE3-CB 4.36Å; W73-V76 HydrophobicContact CE3-CG1 4.46Å; W73-V76 PolarHBondContact O-N 2.56Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 3.16Å; V76-F79 PolarHBondContact O-N 3.01Å; V76-L80 HydrophobicContact CG1-CD1 3.92Å; V76-L80 WeakPolarHBondContact O-CG 3.18Å; V76-L80 PolarHBondContact O-N 3.43Å
77	R	93	Very high	94.3	Very high	170 Å²	170	88.4 Å²	88.4	64%	0.642	43%	0.427	S	S	*	.	H	α-helix	trans	-61.5	-40.8	180	-175.9	178	178.1	179.2	-0.7	112	W73 T74 R81	W73-R77 WeakPolarHBondContact O-CB 3.38Å; W73-R77 PolarHBondContact O-N 3.34Å; T74-R77 PolarHBondContact O-N 3.26Å; R77-R81 VanDerWaalsContact O-CB 3.27Å; R77-R81 WeakPolarHBondContact O-CB 3.34Å; R77-R81 PolarHBondContact O-N 3.08Å
78	R	91.8	Very high	94	Very high	126 Å²	126	89.4 Å²	89.4	48%	0.475	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-43.4	176.1	-78.9	-174.2	67.6	174.8	2.9	112.4	Y62 T74 R75 V76 L80 R81	Y62-R78 WeakPolarHBondContact OH-CD 3.18Å; Y62-R78 PolarHBondContact OH-NH1 3.11Å; T74-R78 WeakPolarHBondContact O-CB 3.44Å; T74-R78 WeakPolarHBondContact O-CG 3.17Å; T74-R78 PolarHBondContact O-N 3.11Å; R75-R78 PolarHBondContact O-N 3.15Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 3.16Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 2.66Å; R78-R81 PolarHBondContact O-N 3.28Å
79	F	92.9	Very high	93.9	Very high	182 Å²	182	91.6 Å²	91.6	80%	0.798	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-36.5	179	-177.4	-99.6	0	0	0	112.5	R75 V76	R75-F79 WeakPolarHBondContact O-CB 3.48Å; R75-F79 PolarHBondContact O-N 2.88Å; V76-F79 PolarHBondContact O-N 3.01Å
80	L	93.8	Very high	93.8	Very high	127 Å²	127	92.6 Å²	92.6	67%	0.665	44%	0.435	S	S	*	.	H	α-helix	trans	-88.4	-11.5	-179.7	-64.3	175.7	0	0	0	114.3	V76 R78 P82	V76-L80 HydrophobicContact CG1-CD1 3.92Å; V76-L80 WeakPolarHBondContact O-CG 3.18Å; V76-L80 PolarHBondContact O-N 3.43Å; R78-L80 VanDerWaalsContact C-N 3.28Å; R78-L80 PolarHBondContact O-N 2.66Å; L80-P82 VanDerWaalsContact O-CD 3.29Å; L80-P82 WeakPolarHBondContact O-CD 3.5Å
81	R	91.8	Very high	93.7	Very high	100 Å²	100	92.3 Å²	92.3	38%	0.377	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-76.2	117.3	-175.6	180	177.1	178.1	175.3	-2.4	109.5	R77 R78 N469	R77-R81 VanDerWaalsContact O-CB 3.27Å; R77-R81 WeakPolarHBondContact O-CB 3.34Å; R77-R81 PolarHBondContact O-N 3.08Å; R78-R81 PolarHBondContact O-N 3.28Å; R81-N469 PolarHBondContact NH1-ND2 3.2Å; R81-N469 VanDerWaalsContact NH1-ND2 3.19Å
82	P	93.4	Very high	93.5	Very high	64 Å²	64	89.3 Å²	89.3	42%	0.416	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.1	150.8	172	28	-34.2	0	0	0	110.6	L80 V86 V87	L80-P82 VanDerWaalsContact O-CD 3.29Å; L80-P82 WeakPolarHBondContact O-CD 3.5Å; P82-V86 HydrophobicContact CB-CB 4.18Å; P82-V86 HydrophobicContact CB-CG1 3.98Å; P82-V87 HydrophobicContact CB-CG2 4.03Å; P82-V87 HydrophobicContact CG-CG2 3.56Å
83	S	92.3	Very high	93.4	Very high	56 Å²	56	86.9 Å²	86.9	39%	0.392	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-63.3	153.6	172.7	67.9	0	0	0	0	110.5	D85 V86 V87	S83-D85 PolarHBondContact O-N 2.92Å; S83-V86 PolarHBondContact O-N 2.9Å; S83-V86 WeakPolarHBondContact OG-CG2 3.47Å; S83-V86 PolarHBondContact OG-N 2.74Å; S83-V87 PolarHBondContact O-N 3.35Å
84	P	91.9	Very high	93.4	Very high	23 Å²	23	81.9 Å²	81.9	15%	0.149	39%	0.389	C	S	.	.	H	α-helix	trans	-58.1	-30.8	176.8	-20.5	31.4	0	0	0	112.5	V87 H88 L470 E518 E522	P84-V87 PolarHBondContact O-N 3.03Å; P84-H88 VanDerWaalsContact O-CB 3.3Å; P84-H88 WeakPolarHBondContact O-CB 3.5Å; P84-H88 PolarHBondContact O-N 2.78Å; P84-L470 HydrophobicContact CG-CD2 3.74Å; P84-E518 HydrophobicContact CB-CG 4.43Å; P84-E518 VanDerWaalsContact CB-OE1 3.26Å; P84-E518 WeakPolarHBondContact CB-OE1 3.09Å; P84-E518 WeakPolarHBondContact CG-OE1 3.43Å; P84-E522 HydrophobicContact CB-CG 4.22Å
85	D	89.7	Confident	93.5	Very high	87 Å²	87	86.3 Å²	86.3	47%	0.465	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-45.5	172.4	-72.5	-19.1	0	0	0	113.8	S83 V87 H88 Y89 R511	S83-D85 PolarHBondContact O-N 2.92Å; D85-V87 VanDerWaalsContact C-N 3.34Å; D85-H88 PolarHBondContact O-N 3.22Å; D85-Y89 WeakPolarHBondContact O-CB 3.48Å; D85-Y89 PolarHBondContact O-N 3.33Å; D85-R511 IonicContact OD1-CZ 3.49Å; D85-R511 IonicContact OD1-NH1 2.72Å; D85-R511 PolarHBondContact OD1-NH1 3.17Å; D85-R511 IonicContact OD1-NH2 3.97Å; D85-R511 PolarHBondContact OD1-NH2 3.01Å
86	V	93.5	Very high	93.6	Very high	71 Å²	71	87.2 Å²	87.2	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-42.6	176.5	171.5	0	0	0	0	110.3	P82 S83 Y89 I90	P82-V86 HydrophobicContact CB-CB 4.18Å; P82-V86 HydrophobicContact CB-CG1 3.98Å; S83-V86 PolarHBondContact O-N 2.9Å; S83-V86 WeakPolarHBondContact OG-CG2 3.47Å; S83-V86 PolarHBondContact OG-N 2.74Å; V86-Y89 PolarHBondContact O-N 2.83Å; V86-I90 HydrophobicContact CG1-CD1 3.9Å; V86-I90 VanDerWaalsContact O-CG1 3.3Å; V86-I90 WeakPolarHBondContact O-CG1 3.2Å; V86-I90 PolarHBondContact O-N 2.64Å
87	V	93.8	Very high	93.7	Very high	50 Å²	50	87.3 Å²	87.3	30%	0.303	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-46.1	177.1	175.9	0	0	0	0	110.9	P82 S83 P84 D85 I90 L91	P82-V87 HydrophobicContact CB-CG2 4.03Å; P82-V87 HydrophobicContact CG-CG2 3.56Å; S83-V87 PolarHBondContact O-N 3.35Å; P84-V87 PolarHBondContact O-N 3.03Å; D85-V87 VanDerWaalsContact C-N 3.34Å; V87-I90 PolarHBondContact O-N 2.97Å; V87-L91 HydrophobicContact CG1-CD1 3.71Å; V87-L91 HydrophobicContact CG1-CG 4.4Å; V87-L91 WeakPolarHBondContact O-CB 3.38Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 3.43Å
88	H	92.1	Very high	93.9	Very high	21 Å²	21	79.8 Å²	79.8	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177.2	178.4	82.3	0	0	0	111.4	P84 D85 I90 L91 T92 Y353	P84-H88 VanDerWaalsContact O-CB 3.3Å; P84-H88 WeakPolarHBondContact O-CB 3.5Å; P84-H88 PolarHBondContact O-N 2.78Å; D85-H88 PolarHBondContact O-N 3.22Å; H88-I90 VanDerWaalsContact C-N 3.33Å; H88-I90 PolarHBondContact O-N 3.25Å; H88-L91 PolarHBondContact O-N 3.08Å; H88-L91 VanDerWaalsContact O-N 3.13Å; H88-T92 WeakPolarHBondContact O-CG2 3.46Å; H88-T92 PolarHBondContact O-N 3.34Å; H88-T92 PolarHBondContact O-OG1 3.37Å; H88-Y353 AromaticContact ND1-CE1 3.74Å
89	Y	93.9	Very high	94.1	Very high	121 Å²	121	78.2 Å²	78.2	48%	0.475	38%	0.382	S	S	.	.	H	α-helix	trans	-56.4	-47.5	176.4	-175.8	-92.7	0	0	0	111.3	D85 V86 L91 T92 H93 F94	D85-Y89 WeakPolarHBondContact O-CB 3.48Å; D85-Y89 PolarHBondContact O-N 3.33Å; V86-Y89 PolarHBondContact O-N 2.83Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 3.35Å; Y89-T92 PolarHBondContact O-N 3.3Å; Y89-T92 PolarHBondContact O-OG1 3.4Å; Y89-H93 HydrophobicContact CD1-CB 4.47Å; Y89-H93 AromaticContact CD2-CE1 3.4Å; Y89-H93 WeakPolarHBondContact CD2-CE1 3.28Å; Y89-H93 AromaticContact CD2-ND1 3.53Å; Y89-H93 AromaticContact CD2-NE2 3.79Å; Y89-H93 HydrophobicContact CE1-CB 4.2Å; Y89-H93 AromaticContact CE2-CD2 3.48Å; Y89-H93 VanDerWaalsContact CE2-CD2 3.48Å; Y89-H93 WeakPolarHBondContact CE2-CD2 3.33Å; Y89-H93 AromaticContact CE2-CE1 3.4Å; Y89-H93 VanDerWaalsContact CE2-CE1 3.4Å; Y89-H93 WeakPolarHBondContact CE2-CE1 3.12Å; Y89-H93 AromaticContact CE2-CG 3.74Å; Y89-H93 AromaticContact CE2-ND1 3.67Å; Y89-H93 AromaticContact CE2-NE2 3.26Å; Y89-H93 VanDerWaalsContact CE2-NE2 3.26Å; Y89-H93 WeakPolarHBondContact CE2-NE2 3.49Å; Y89-H93 AromaticContact CG-ND1 3.87Å; Y89-H93 AromaticContact CZ-CD2 3.55Å; Y89-H93 AromaticContact CZ-CG 3.75Å; Y89-H93 AromaticContact CZ-NE2 3.86Å; Y89-H93 WeakPolarHBondContact O-CB 3.29Å; Y89-H93 PolarHBondContact O-N 3.1Å; Y89-H93 PolarHBondContact O-ND1 3.01Å; Y89-F94 HydrophobicContact CD1-CE2 4.26Å; Y89-F94 AromaticContact CE1-CE2 3.94Å; Y89-F94 HydrophobicContact CE1-CE2 3.94Å; Y89-F94 AromaticContact CE1-CZ 3.97Å; Y89-F94 HydrophobicContact CE1-CZ 3.97Å
90	I	95.3	Very high	94.3	Very high	73 Å²	73	74.1 Å²	74.1	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-41.8	176.9	-67.1	164.7	0	0	0	111.2	V86 V87 H88 T92 H93 W98	V86-I90 HydrophobicContact CG1-CD1 3.9Å; V86-I90 VanDerWaalsContact O-CG1 3.3Å; V86-I90 WeakPolarHBondContact O-CG1 3.2Å; V86-I90 PolarHBondContact O-N 2.64Å; V87-I90 PolarHBondContact O-N 2.97Å; H88-I90 VanDerWaalsContact C-N 3.33Å; H88-I90 PolarHBondContact O-N 3.25Å; I90-T92 VanDerWaalsContact C-N 3.28Å; I90-T92 PolarHBondContact O-N 2.82Å; I90-H93 VanDerWaalsContact O-O 3.07Å; I90-W98 HydrophobicContact CG2-CZ2 4.02Å; I90-W98 WeakPolarHBondContact O-CZ2 3.49Å; I90-W98 PolarHBondContact O-NE1 3.26Å
91	L	94.9	Very high	94.4	Very high	20 Å²	20	69 Å²	69	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-70.8	-19.3	-179.2	-73.4	167.2	0	0	0	114.1	V87 H88 Y89 W98 Y353 L354 L355	V87-L91 HydrophobicContact CG1-CD1 3.71Å; V87-L91 HydrophobicContact CG1-CG 4.4Å; V87-L91 WeakPolarHBondContact O-CB 3.38Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 3.43Å; H88-L91 PolarHBondContact O-N 3.08Å; H88-L91 VanDerWaalsContact O-N 3.13Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 3.35Å; L91-W98 HydrophobicContact CD2-CH2 3.64Å; L91-W98 HydrophobicContact CD2-CZ2 3.72Å; L91-W98 HydrophobicContact CG-CZ2 4.39Å; L91-Y353 HydrophobicContact CB-CD1 3.73Å; L91-Y353 HydrophobicContact CB-CD2 4.49Å; L91-Y353 HydrophobicContact CB-CE1 4.12Å; L91-Y353 HydrophobicContact CB-CG 3.95Å; L91-Y353 HydrophobicContact CD1-CD1 4.3Å; L91-Y353 HydrophobicContact CD1-CD2 4.04Å; L91-Y353 HydrophobicContact CD1-CE1 4.07Å; L91-Y353 HydrophobicContact CD1-CE2 3.78Å; L91-Y353 HydrophobicContact CD1-CG 4.3Å; L91-Y353 WeakPolarHBondContact O-CA 3.49Å; L91-L354 PolarHBondContact O-N 2.83Å; L91-L355 HydrophobicContact CD2-CB 4.01Å; L91-L355 HydrophobicContact CD2-CD2 4.27Å
92	T	93.4	Very high	94.7	Very high	32 Å²	32	64.7 Å²	64.7	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-110.1	-8.7	-178.9	56.8	0	0	0	0	113.7	H88 Y89 I90 Y353 L354	H88-T92 WeakPolarHBondContact O-CG2 3.46Å; H88-T92 PolarHBondContact O-N 3.34Å; H88-T92 PolarHBondContact O-OG1 3.37Å; Y89-T92 PolarHBondContact O-N 3.3Å; Y89-T92 PolarHBondContact O-OG1 3.4Å; I90-T92 VanDerWaalsContact C-N 3.28Å; I90-T92 PolarHBondContact O-N 2.82Å; T92-Y353 HydrophobicContact CG2-CD1 4.13Å; T92-L354 WeakPolarHBondContact O-CD1 3.26Å
93	H	94	Very high	94.8	Very high	73 Å²	73	68.2 Å²	68.2	34%	0.338	34%	0.34	S	S	.	.	S	Bend	trans	-116.6	169.8	179.4	-64.1	66.8	0	0	0	111.2	Y89 I90 W98	Y89-H93 HydrophobicContact CD1-CB 4.47Å; Y89-H93 AromaticContact CD2-CE1 3.4Å; Y89-H93 WeakPolarHBondContact CD2-CE1 3.28Å; Y89-H93 AromaticContact CD2-ND1 3.53Å; Y89-H93 AromaticContact CD2-NE2 3.79Å; Y89-H93 HydrophobicContact CE1-CB 4.2Å; Y89-H93 AromaticContact CE2-CD2 3.48Å; Y89-H93 VanDerWaalsContact CE2-CD2 3.48Å; Y89-H93 WeakPolarHBondContact CE2-CD2 3.33Å; Y89-H93 AromaticContact CE2-CE1 3.4Å; Y89-H93 VanDerWaalsContact CE2-CE1 3.4Å; Y89-H93 WeakPolarHBondContact CE2-CE1 3.12Å; Y89-H93 AromaticContact CE2-CG 3.74Å; Y89-H93 AromaticContact CE2-ND1 3.67Å; Y89-H93 AromaticContact CE2-NE2 3.26Å; Y89-H93 VanDerWaalsContact CE2-NE2 3.26Å; Y89-H93 WeakPolarHBondContact CE2-NE2 3.49Å; Y89-H93 AromaticContact CG-ND1 3.87Å; Y89-H93 AromaticContact CZ-CD2 3.55Å; Y89-H93 AromaticContact CZ-CG 3.75Å; Y89-H93 AromaticContact CZ-NE2 3.86Å; Y89-H93 WeakPolarHBondContact O-CB 3.29Å; Y89-H93 PolarHBondContact O-N 3.1Å; Y89-H93 PolarHBondContact O-ND1 3.01Å; I90-H93 VanDerWaalsContact O-O 3.07Å; H93-W98 PolarHBondContact O-NE1 3.21Å
94	F	96.3	Very high	95.1	Very high	94 Å²	94	68.2 Å²	68.2	41%	0.412	34%	0.338	S	S	.	.			trans	67.4	54.2	178.4	-43.3	-77.4	0	0	0	114.8	Y89 W96 L97 W98	Y89-F94 HydrophobicContact CD1-CE2 4.26Å; Y89-F94 AromaticContact CE1-CE2 3.94Å; Y89-F94 HydrophobicContact CE1-CE2 3.94Å; Y89-F94 AromaticContact CE1-CZ 3.97Å; Y89-F94 HydrophobicContact CE1-CZ 3.97Å; F94-W96 VanDerWaalsContact C-N 3.31Å; F94-W96 PolarHBondContact O-N 2.78Å; F94-L97 HydrophobicContact CB-CB 4.03Å; F94-L97 HydrophobicContact CB-CD2 4.47Å; F94-L97 WeakPolarHBondContact O-CB 3.27Å; F94-L97 PolarHBondContact O-N 3.26Å; F94-W98 PolarHBondContact O-N 3.4Å
95	H	95.4	Very high	95.3	Very high	117 Å²	117	74.2 Å²	74.2	54%	0.542	36%	0.362	S	S	.	.	H	α-helix	trans	-43.8	-50.4	178	-71.6	-90.8	0	0	0	114.4	L97 W98 D99 L354	H95-L97 PolarHBondContact O-N 2.72Å; H95-W98 PolarHBondContact O-N 3.05Å; H95-W98 VanDerWaalsContact O-N 3.08Å; H95-D99 VanDerWaalsContact O-CG 3.25Å; H95-D99 PolarHBondContact O-N 2.88Å; H95-L354 WeakPolarHBondContact CE1-CD2 3.32Å
96	W	96.9	Very high	95.6	Very high	166 Å²	166	73.6 Å²	73.6	63%	0.629	36%	0.358	S	S	*	.	H	α-helix	trans	-56.5	-35.7	-179.7	71	-92.7	0	0	0	113.4	F94 I100	F94-W96 VanDerWaalsContact C-N 3.31Å; F94-W96 PolarHBondContact O-N 2.78Å; W96-I100 HydrophobicContact CE3-CD1 3.92Å; W96-I100 HydrophobicContact CZ3-CD1 4.08Å; W96-I100 WeakPolarHBondContact O-CG1 3.44Å; W96-I100 PolarHBondContact O-N 2.81Å
97	L	96.9	Very high	95.8	Very high	60 Å²	60	72.4 Å²	72.4	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-72.7	-44	179.3	175.3	63.2	0	0	0	109.9	F94 H95 D99 I100 I101	F94-L97 HydrophobicContact CB-CB 4.03Å; F94-L97 HydrophobicContact CB-CD2 4.47Å; F94-L97 WeakPolarHBondContact O-CB 3.27Å; F94-L97 PolarHBondContact O-N 3.26Å; H95-L97 PolarHBondContact O-N 2.72Å; L97-D99 VanDerWaalsContact C-N 3.35Å; L97-I100 PolarHBondContact O-N 3.37Å; L97-I101 HydrophobicContact CD1-CD1 3.99Å; L97-I101 HydrophobicContact CD1-CG1 4.34Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-I101 HydrophobicContact CG-CD1 3.8Å; L97-I101 HydrophobicContact CG-CG1 4.48Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.42Å
98	W	97.5	Very high	96	Very high	13 Å²	13	72.6 Å²	72.6	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-66.6	-35.7	177.3	-71	111.9	0	0	0	112.6	I90 L91 H93 F94 H95 I100 I101 N102 L110 L354 L355	I90-W98 HydrophobicContact CG2-CZ2 4.02Å; I90-W98 WeakPolarHBondContact O-CZ2 3.49Å; I90-W98 PolarHBondContact O-NE1 3.26Å; L91-W98 HydrophobicContact CD2-CH2 3.64Å; L91-W98 HydrophobicContact CD2-CZ2 3.72Å; L91-W98 HydrophobicContact CG-CZ2 4.39Å; H93-W98 PolarHBondContact O-NE1 3.21Å; F94-W98 PolarHBondContact O-N 3.4Å; H95-W98 PolarHBondContact O-N 3.05Å; H95-W98 VanDerWaalsContact O-N 3.08Å; W98-I100 VanDerWaalsContact C-N 3.27Å; W98-I100 PolarHBondContact O-N 3.19Å; W98-I101 HydrophobicContact CE3-CB 4.11Å; W98-I101 HydrophobicContact CE3-CD1 3.98Å; W98-I101 HydrophobicContact CE3-CG2 3.96Å; W98-I101 HydrophobicContact CZ3-CB 4.49Å; W98-I101 HydrophobicContact CZ3-CD1 3.97Å; W98-I101 HydrophobicContact CZ3-CG2 3.93Å; W98-I101 PolarHBondContact O-N 2.9Å; W98-N102 WeakPolarHBondContact O-CB 3.15Å; W98-N102 PolarHBondContact O-N 2.74Å; W98-N102 PolarHBondContact O-ND2 3.39Å; W98-L110 HydrophobicContact CH2-CD1 4.06Å; W98-L110 HydrophobicContact CZ3-CD1 3.67Å; W98-L354 HydrophobicContact CB-CB 3.78Å; W98-L354 VanDerWaalsContact CD1-CB 3.43Å; W98-L354 HydrophobicContact CD2-CB 4.29Å; W98-L354 HydrophobicContact CG-CB 3.54Å; W98-L354 HydrophobicContact CG-CD1 4.44Å; W98-L355 HydrophobicContact CE3-CB 3.96Å; W98-L355 HydrophobicContact CE3-CD1 4.3Å; W98-L355 HydrophobicContact CH2-CB 4.22Å; W98-L355 HydrophobicContact CZ3-CB 3.74Å; W98-L355 HydrophobicContact CZ3-CD1 3.91Å; W98-L355 HydrophobicContact CZ3-CG 4.27Å
99	D	95.6	Very high	96.2	Very high	92 Å²	92	74.4 Å²	74.4	49%	0.492	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-41.1	173.5	-68.1	-27.2	0	0	0	111.1	H95 L97 N103	H95-D99 VanDerWaalsContact O-CG 3.25Å; H95-D99 PolarHBondContact O-N 2.88Å; L97-D99 VanDerWaalsContact C-N 3.35Å; D99-N103 PolarHBondContact O-ND2 3.37Å
100	I	97.2	Very high	96.4	Very high	97 Å²	97	71 Å²	71	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-67.9	-50.5	174	-63.5	167.6	0	0	0	110.6	W96 L97 W98 N102 N103 T104	W96-I100 HydrophobicContact CE3-CD1 3.92Å; W96-I100 HydrophobicContact CZ3-CD1 4.08Å; W96-I100 WeakPolarHBondContact O-CG1 3.44Å; W96-I100 PolarHBondContact O-N 2.81Å; L97-I100 PolarHBondContact O-N 3.37Å; W98-I100 VanDerWaalsContact C-N 3.27Å; W98-I100 PolarHBondContact O-N 3.19Å; I100-N102 VanDerWaalsContact C-N 3.34Å; I100-N102 PolarHBondContact O-N 3.13Å; I100-N103 PolarHBondContact O-N 3.44Å; I100-T104 VanDerWaalsContact O-CG2 3.26Å; I100-T104 WeakPolarHBondContact O-CG2 3.21Å; I100-T104 PolarHBondContact O-N 3.08Å; I100-T104 PolarHBondContact O-OG1 3.5Å
101	I	97.4	Very high	96.4	Very high	19 Å²	19	67.6 Å²	67.6	10%	0.097	33%	0.33	C	S	.	.	H	α-helix	trans	-59.6	-45.1	-176.9	-72	171.9	0	0	0	111.3	L97 W98 N103 T104 L106 R107 L110	L97-I101 HydrophobicContact CD1-CD1 3.99Å; L97-I101 HydrophobicContact CD1-CG1 4.34Å; L97-I101 HydrophobicContact CD2-CD1 4.4Å; L97-I101 HydrophobicContact CG-CD1 3.8Å; L97-I101 HydrophobicContact CG-CG1 4.48Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.42Å; W98-I101 HydrophobicContact CE3-CB 4.11Å; W98-I101 HydrophobicContact CE3-CD1 3.98Å; W98-I101 HydrophobicContact CE3-CG2 3.96Å; W98-I101 HydrophobicContact CZ3-CB 4.49Å; W98-I101 HydrophobicContact CZ3-CD1 3.97Å; W98-I101 HydrophobicContact CZ3-CG2 3.93Å; W98-I101 PolarHBondContact O-N 2.9Å; I101-N103 PolarHBondContact O-N 2.94Å; I101-T104 PolarHBondContact O-N 2.78Å; I101-T104 VanDerWaalsContact O-N 3.11Å; I101-T104 PolarHBondContact O-OG1 3.28Å; I101-L106 HydrophobicContact CG1-CD1 4.46Å; I101-L106 HydrophobicContact CG2-CB 4.11Å; I101-R107 PolarHBondContact O-N 2.81Å; I101-L110 HydrophobicContact CD1-CD1 4.48Å; I101-L110 HydrophobicContact CG2-CD1 3.7Å
102	N	97.4	Very high	96.6	Very high	10 Å²	10	72.1 Å²	72.1	5%	0.053	35%	0.346	C	S	.	.	H	α-helix	trans	-63	-28.2	-176.9	-73.7	-32.1	0	0	0	112.9	W98 I100 R107 L354 Q356	W98-N102 WeakPolarHBondContact O-CB 3.15Å; W98-N102 PolarHBondContact O-N 2.74Å; W98-N102 PolarHBondContact O-ND2 3.39Å; I100-N102 VanDerWaalsContact C-N 3.34Å; I100-N102 PolarHBondContact O-N 3.13Å; N102-R107 WeakPolarHBondContact O-CD 3.4Å; N102-L354 PolarHBondContact ND2-O 2.89Å; N102-Q356 HydrophobicContact CB-CB 4.46Å; N102-Q356 HydrophobicContact CB-CG 4.25Å; N102-Q356 PolarHBondContact OD1-N 3.43Å
103	N	96	Very high	96.7	Very high	137 Å²	137	75.2 Å²	75.2	73%	0.733	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	9.1	179.2	-70.9	-67.6	0	0	0	113.6	D99 I100 I101	D99-N103 PolarHBondContact O-ND2 3.37Å; I100-N103 PolarHBondContact O-N 3.44Å; I101-N103 PolarHBondContact O-N 2.94Å
104	T	97.1	Very high	96.8	Very high	56 Å²	56	73.8 Å²	73.8	34%	0.344	36%	0.357	S	S	.	.	S	Bend	trans	-125.3	173.8	179.1	64.6	0	0	0	0	112	I100 I101 L106 R107	I100-T104 VanDerWaalsContact O-CG2 3.26Å; I100-T104 WeakPolarHBondContact O-CG2 3.21Å; I100-T104 PolarHBondContact O-N 3.08Å; I100-T104 PolarHBondContact O-OG1 3.5Å; I101-T104 PolarHBondContact O-N 2.78Å; I101-T104 VanDerWaalsContact O-N 3.11Å; I101-T104 PolarHBondContact O-OG1 3.28Å; T104-L106 PolarHBondContact O-N 2.92Å; T104-L106 VanDerWaalsContact O-N 3.11Å; T104-L106 WeakPolarHBondContact OG1-CB 3.19Å; T104-L106 PolarHBondContact OG1-N 2.73Å; T104-R107 PolarHBondContact O-N 3.11Å
105	F	96.3	Very high	96.7	Very high	150 Å²	150	69.5 Å²	69.5	66%	0.658	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.1	174.5	75	-88.4	0	0	0	113.1	R107 N108 V109	F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.26Å; F105-N108 WeakPolarHBondContact O-CB 3.33Å; F105-N108 PolarHBondContact O-N 2.65Å; F105-N108 VanDerWaalsContact O-N 3.1Å; F105-V109 HydrophobicContact CD2-CG2 3.95Å; F105-V109 HydrophobicContact CE2-CG2 4.28Å; F105-V109 PolarHBondContact O-N 3.35Å
106	L	97	Very high	96.7	Very high	74 Å²	74	65.4 Å²	65.4	39%	0.387	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-32.4	178.8	-65.4	176.4	0	0	0	112.1	I101 T104 N108 V109 L110	I101-L106 HydrophobicContact CG1-CD1 4.46Å; I101-L106 HydrophobicContact CG2-CB 4.11Å; T104-L106 PolarHBondContact O-N 2.92Å; T104-L106 VanDerWaalsContact O-N 3.11Å; T104-L106 WeakPolarHBondContact OG1-CB 3.19Å; T104-L106 PolarHBondContact OG1-N 2.73Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-N108 PolarHBondContact O-N 2.83Å; L106-V109 PolarHBondContact O-N 2.67Å; L106-V109 VanDerWaalsContact O-N 3.17Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.44Å
107	R	97.9	Very high	96.6	Very high	46 Å²	46	60.3 Å²	60.3	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-52.8	-48.4	171.2	-178	-176.8	170.8	-171.4	0.9	111.6	I101 N102 T104 F105 L110 M111 L355 Q356 L357	I101-R107 PolarHBondContact O-N 2.81Å; N102-R107 WeakPolarHBondContact O-CD 3.4Å; T104-R107 PolarHBondContact O-N 3.11Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.26Å; R107-L110 PolarHBondContact O-N 3.23Å; R107-M111 VanDerWaalsContact O-CB 3.29Å; R107-M111 WeakPolarHBondContact O-CB 3.35Å; R107-M111 PolarHBondContact O-N 2.88Å; R107-L355 HydrophobicContact CG-CD1 4.27Å; R107-Q356 PolarHBondContact NE-O 2.91Å; R107-Q356 PolarHBondContact NH2-O 3.29Å; R107-L357 PolarHBondContact NH2-O 3.14Å
108	N	97.1	Very high	96.6	Very high	54 Å²	54	59.1 Å²	59.1	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-67.2	-37.9	-179.8	-69	-19.8	0	0	0	111.6	F105 L106 R112 K358 L363	F105-N108 WeakPolarHBondContact O-CB 3.33Å; F105-N108 PolarHBondContact O-N 2.65Å; F105-N108 VanDerWaalsContact O-N 3.1Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-N108 PolarHBondContact O-N 2.83Å; N108-R112 WeakPolarHBondContact O-CB 3.05Å; N108-R112 PolarHBondContact O-N 3.02Å; N108-K358 WeakPolarHBondContact OD1-CD 3.48Å; N108-K358 PolarHBondContact OD1-NZ 2.75Å; N108-L363 HydrophobicContact CB-CD2 3.8Å
109	V	96.9	Very high	96.4	Very high	58 Å²	58	58.8 Å²	58.8	35%	0.352	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-47.6	176.9	175.4	0	0	0	0	110.9	F105 L106 R112 L113	F105-V109 HydrophobicContact CD2-CG2 3.95Å; F105-V109 HydrophobicContact CE2-CG2 4.28Å; F105-V109 PolarHBondContact O-N 3.35Å; L106-V109 PolarHBondContact O-N 2.67Å; L106-V109 VanDerWaalsContact O-N 3.17Å; V109-R112 PolarHBondContact O-N 2.79Å; V109-L113 PolarHBondContact O-N 3.38Å
110	L	97	Very high	96.4	Very high	51 Å²	51	60 Å²	60	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-42	178.2	-67.6	177.6	0	0	0	111.6	W98 I101 L106 R107 R112 L113 V114 L355	W98-L110 HydrophobicContact CH2-CD1 4.06Å; W98-L110 HydrophobicContact CZ3-CD1 3.67Å; I101-L110 HydrophobicContact CD1-CD1 4.48Å; I101-L110 HydrophobicContact CG2-CD1 3.7Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.44Å; R107-L110 PolarHBondContact O-N 3.23Å; L110-R112 VanDerWaalsContact C-N 3.35Å; L110-R112 PolarHBondContact O-N 3.24Å; L110-L113 WeakPolarHBondContact O-CB 3.41Å; L110-L113 PolarHBondContact O-N 3.44Å; L110-L113 VanDerWaalsContact O-N 3.13Å; L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 2.86Å; L110-L355 HydrophobicContact CB-CD1 4.47Å; L110-L355 HydrophobicContact CB-CD2 4.3Å
111	M	97.3	Very high	96.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-45.8	175.8	-169.8	66.6	-158.8	0	0	110.8	R107 L113 V114 L115 I343 L357 K358 L363	R107-M111 VanDerWaalsContact O-CB 3.29Å; R107-M111 WeakPolarHBondContact O-CB 3.35Å; R107-M111 PolarHBondContact O-N 2.88Å; M111-L113 VanDerWaalsContact C-N 3.29Å; M111-L113 PolarHBondContact O-N 3.46Å; M111-V114 PolarHBondContact O-N 3.44Å; M111-L115 HydrophobicContact CE-CD1 4.24Å; M111-L115 HydrophobicContact CE-CD2 3.64Å; M111-L115 HydrophobicContact CE-CG 3.89Å; M111-L115 HydrophobicContact CG-CD1 4.25Å; M111-L115 HydrophobicContact CG-CG 4.48Å; M111-L115 VanDerWaalsContact O-CG 3.24Å; M111-L115 WeakPolarHBondContact O-CG 3.31Å; M111-L115 PolarHBondContact O-N 2.96Å; M111-I343 HydrophobicContact CE-CG2 4.25Å; M111-L357 HydrophobicContact CE-CD2 4.42Å; M111-L357 HydrophobicContact SD-CB 4.32Å; M111-L357 HydrophobicContact SD-CD2 3.88Å; M111-K358 WeakPolarHBondContact CE-O 3.13Å; M111-K358 HydrophobicContact CG-CB 4.32Å; M111-L363 HydrophobicContact CB-CD1 3.95Å; M111-L363 HydrophobicContact CG-CD1 3.87Å
112	R	97.1	Very high	96.3	Very high	115 Å²	115	56 Å²	56	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-40.6	174.5	-176.5	178.1	65.5	-169.6	0.2	112.1	N108 V109 L110 L115 T116 L363	N108-R112 WeakPolarHBondContact O-CB 3.05Å; N108-R112 PolarHBondContact O-N 3.02Å; V109-R112 PolarHBondContact O-N 2.79Å; L110-R112 VanDerWaalsContact C-N 3.35Å; L110-R112 PolarHBondContact O-N 3.24Å; R112-L115 PolarHBondContact O-N 3.23Å; R112-T116 HydrophobicContact CG-CG2 4.44Å; R112-T116 WeakPolarHBondContact O-CB 3.38Å; R112-T116 WeakPolarHBondContact O-CG2 3.25Å; R112-T116 PolarHBondContact O-N 3.45Å; R112-T116 PolarHBondContact O-OG1 3.1Å; R112-L363 HydrophobicContact CB-CB 4.3Å; R112-L363 WeakPolarHBondContact CD-O 3.23Å; R112-L363 WeakPolarHBondContact CG-O 3.27Å
113	L	95.9	Very high	96.3	Very high	97 Å²	97	57.3 Å²	57.3	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-46.2	176.3	-177.2	67.6	0	0	0	111.3	V109 L110 M111 L115 T116 V117	V109-L113 PolarHBondContact O-N 3.38Å; L110-L113 WeakPolarHBondContact O-CB 3.41Å; L110-L113 PolarHBondContact O-N 3.44Å; L110-L113 VanDerWaalsContact O-N 3.13Å; M111-L113 VanDerWaalsContact C-N 3.29Å; M111-L113 PolarHBondContact O-N 3.46Å; L113-L115 PolarHBondContact O-N 3.16Å; L113-T116 PolarHBondContact O-N 3.23Å; L113-T116 PolarHBondContact O-OG1 2.87Å; L113-V117 HydrophobicContact CD1-CG2 3.71Å; L113-V117 HydrophobicContact CG-CG2 4.16Å; L113-V117 VanDerWaalsContact O-CB 3.28Å; L113-V117 WeakPolarHBondContact O-CB 3.31Å; L113-V117 VanDerWaalsContact O-CG2 3.24Å; L113-V117 WeakPolarHBondContact O-CG2 3.31Å; L113-V117 PolarHBondContact O-N 2.83Å
114	V	95.6	Very high	96.4	Very high	43 Å²	43	52.8 Å²	52.8	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-50.1	176	169.8	0	0	0	0	110.4	L110 M111 T116 R118 L355 L529	L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 2.86Å; M111-V114 PolarHBondContact O-N 3.44Å; V114-T116 PolarHBondContact O-N 2.78Å; V114-R118 HydrophobicContact CG1-CG 4.33Å; V114-R118 VanDerWaalsContact O-CB 3.23Å; V114-R118 WeakPolarHBondContact O-CB 3.29Å; V114-R118 WeakPolarHBondContact O-CG 3.47Å; V114-R118 PolarHBondContact O-N 3.41Å; V114-L355 HydrophobicContact CG2-CD2 4.46Å; V114-L529 HydrophobicContact CG1-CD1 4.04Å
115	L	95.3	Very high	96.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-51	-178.2	-67.4	173.5	0	0	0	111.8	M111 R112 L113 S119 L363 L364 L529 L533	M111-L115 HydrophobicContact CE-CD1 4.24Å; M111-L115 HydrophobicContact CE-CD2 3.64Å; M111-L115 HydrophobicContact CE-CG 3.89Å; M111-L115 HydrophobicContact CG-CD1 4.25Å; M111-L115 HydrophobicContact CG-CG 4.48Å; M111-L115 VanDerWaalsContact O-CG 3.24Å; M111-L115 WeakPolarHBondContact O-CG 3.31Å; M111-L115 PolarHBondContact O-N 2.96Å; R112-L115 PolarHBondContact O-N 3.23Å; L113-L115 PolarHBondContact O-N 3.16Å; L115-S119 VanDerWaalsContact O-CB 3.23Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 3.16Å; L115-S119 PolarHBondContact O-OG 3.43Å; L115-L363 HydrophobicContact CD1-CD1 4.46Å; L115-L364 HydrophobicContact CB-CD2 4.02Å; L115-L364 HydrophobicContact CD1-CD2 4.42Å; L115-L364 HydrophobicContact CD1-CG 4.31Å; L115-L529 HydrophobicContact CD2-CD1 4.28Å; L115-L529 HydrophobicContact CD2-CD2 4.04Å; L115-L533 HydrophobicContact CB-CD1 4.39Å; L115-L533 HydrophobicContact CD1-CD1 3.38Å; L115-L533 HydrophobicContact CD2-CD1 3.35Å; L115-L533 HydrophobicContact CD2-CG 4.27Å; L115-L533 HydrophobicContact CG-CD1 3.83Å
116	T	95.3	Very high	96.4	Very high	31 Å²	31	48 Å²	48	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-68.8	-45.4	-176.7	51.8	0	0	0	0	112.7	R112 L113 V114 R118 S119 N120 L364	R112-T116 HydrophobicContact CG-CG2 4.44Å; R112-T116 WeakPolarHBondContact O-CB 3.38Å; R112-T116 WeakPolarHBondContact O-CG2 3.25Å; R112-T116 PolarHBondContact O-N 3.45Å; R112-T116 PolarHBondContact O-OG1 3.1Å; L113-T116 PolarHBondContact O-N 3.23Å; L113-T116 PolarHBondContact O-OG1 2.87Å; V114-T116 PolarHBondContact O-N 2.78Å; T116-R118 VanDerWaalsContact C-N 3.35Å; T116-R118 PolarHBondContact O-N 2.87Å; T116-S119 PolarHBondContact O-OG 2.79Å; T116-N120 WeakPolarHBondContact O-CB 3.35Å; T116-N120 PolarHBondContact O-N 2.89Å; T116-N120 VanDerWaalsContact O-N 3.15Å; T116-N120 PolarHBondContact O-ND2 2.91Å; T116-N120 PolarHBondContact O-OD1 3.36Å; T116-L364 HydrophobicContact CG2-CD2 3.83Å
117	V	94.8	Very high	96.5	Very high	58 Å²	58	45.6 Å²	45.6	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-41.2	-179.6	171.7	0	0	0	0	111.2	L113	L113-V117 HydrophobicContact CD1-CG2 3.71Å; L113-V117 HydrophobicContact CG-CG2 4.16Å; L113-V117 VanDerWaalsContact O-CB 3.28Å; L113-V117 WeakPolarHBondContact O-CB 3.31Å; L113-V117 VanDerWaalsContact O-CG2 3.24Å; L113-V117 WeakPolarHBondContact O-CG2 3.31Å; L113-V117 PolarHBondContact O-N 2.83Å
118	R	96	Very high	96.5	Very high	35 Å²	35	44.1 Å²	44.1	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-72.9	-44.8	179.5	-65.2	-68.2	-176.7	-168.1	-0	111.6	V114 T116 N120 L121 E522 P526 L529	V114-R118 HydrophobicContact CG1-CG 4.33Å; V114-R118 VanDerWaalsContact O-CB 3.23Å; V114-R118 WeakPolarHBondContact O-CB 3.29Å; V114-R118 WeakPolarHBondContact O-CG 3.47Å; V114-R118 PolarHBondContact O-N 3.41Å; T116-R118 VanDerWaalsContact C-N 3.35Å; T116-R118 PolarHBondContact O-N 2.87Å; R118-N120 VanDerWaalsContact C-N 3.3Å; R118-N120 PolarHBondContact O-N 2.99Å; R118-L121 PolarHBondContact O-N 3.16Å; R118-E522 IonicContact CZ-OE1 3.95Å; R118-E522 IonicContact CZ-OE2 2.91Å; R118-E522 IonicContact NH1-OE1 2.82Å; R118-E522 PolarHBondContact NH1-OE1 3.21Å; R118-E522 IonicContact NH1-OE2 3.69Å; R118-E522 PolarHBondContact NH1-OE2 2.91Å; R118-E522 IonicContact NH2-OE1 3.22Å; R118-E522 PolarHBondContact NH2-OE1 2.88Å; R118-E522 IonicContact NH2-OE2 3.08Å; R118-E522 PolarHBondContact NH2-OE2 3.41Å; R118-P526 HydrophobicContact CB-CG 4.42Å; R118-P526 VanDerWaalsContact O-CB 3.3Å; R118-P526 WeakPolarHBondContact O-CB 3.48Å; R118-L529 HydrophobicContact CB-CD1 3.73Å; R118-L529 HydrophobicContact CG-CD1 3.9Å
119	S	94.1	Very high	96.5	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-32.1	-177.4	65.1	0	0	0	0	113.4	L115 T116 L121 I122	L115-S119 VanDerWaalsContact O-CB 3.23Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 3.16Å; L115-S119 PolarHBondContact O-OG 3.43Å; T116-S119 PolarHBondContact O-OG 2.79Å; S119-L121 PolarHBondContact O-N 2.83Å; S119-L121 VanDerWaalsContact O-N 3.15Å; S119-I122 PolarHBondContact O-N 2.89Å
120	N	94.7	Very high	96.3	Very high	118 Å²	118	39.9 Å²	39.9	63%	0.631	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.3	-179.4	-72.5	-10.9	0	0	0	113.6	T116 R118 I122	T116-N120 WeakPolarHBondContact O-CB 3.35Å; T116-N120 PolarHBondContact O-N 2.89Å; T116-N120 VanDerWaalsContact O-N 3.15Å; T116-N120 PolarHBondContact O-ND2 2.91Å; T116-N120 PolarHBondContact O-OD1 3.36Å; R118-N120 VanDerWaalsContact C-N 3.3Å; R118-N120 PolarHBondContact O-N 2.99Å; N120-I122 VanDerWaalsContact C-N 3.31Å
121	L	96.6	Very high	96.2	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.5	174.5	-65.3	171.7	0	0	0	112.7	W42 R118 S119 R467 F468 P526	W42-L121 HydrophobicContact CZ2-CD2 4.09Å; R118-L121 PolarHBondContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 2.83Å; S119-L121 VanDerWaalsContact O-N 3.15Å; L121-R467 PolarHBondContact O-NH1 2.88Å; L121-R467 PolarHBondContact O-NH2 3.41Å; L121-F468 HydrophobicContact CD1-CD1 4.25Å; L121-P526 HydrophobicContact CB-CB 4.17Å; L121-P526 HydrophobicContact CB-CG 4.29Å; L121-P526 HydrophobicContact CD1-CG 3.75Å
122	I	97.9	Very high	96.1	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	24%	0.241	C	C	.	.	S	Bend	trans	-98.4	120.7	-179.6	-52.4	-56.9	0	0	0	109.7	S119 N120 S124 I149 F468 P526 F527 K530	S119-I122 PolarHBondContact O-N 2.89Å; N120-I122 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 2.82Å; I122-I149 HydrophobicContact CD1-CD1 3.63Å; I122-F468 HydrophobicContact CD1-CE1 4.44Å; I122-P526 HydrophobicContact CD1-CB 3.67Å; I122-P526 HydrophobicContact CG1-CB 3.83Å; I122-F527 HydrophobicContact CD1-CD1 3.47Å; I122-F527 VanDerWaalsContact CD1-CD1 3.47Å; I122-F527 HydrophobicContact CD1-CE1 3.67Å; I122-F527 HydrophobicContact CD1-CG 4.01Å; I122-F527 HydrophobicContact CD1-CZ 4.36Å; I122-F527 HydrophobicContact CG1-CD1 4.4Å; I122-K530 HydrophobicContact CB-CB 4.28Å; I122-K530 HydrophobicContact CB-CG 4.07Å; I122-K530 HydrophobicContact CG1-CB 4.04Å; I122-K530 HydrophobicContact CG1-CG 4.38Å; I122-K530 HydrophobicContact CG2-CB 4.46Å; I122-K530 HydrophobicContact CG2-CG 3.94Å
123	P	96.8	Very high	96	Very high	37 Å²	37	43.5 Å²	43.5	24%	0.24	24%	0.238	C	C	.	.			trans	-65.3	134.5	177.8	27.8	-32.9	0	0	0	110.6	P125 T127	P123-P125 CarbonylContact C-O 3.56Å; P123-T127 HydrophobicContact CB-CG2 3.87Å; P123-T127 HydrophobicContact CG-CG2 4.26Å
124	S	96.9	Very high	96	Very high	42 Å²	42	45.1 Å²	45.1	29%	0.294	24%	0.239	S	C	.	.	S	Bend	trans	-147.8	108	179.1	-166.9	0	0	0	0	107.8	I122 Q370 K530	I122-S124 PolarHBondContact O-N 2.82Å; S124-Q370 WeakPolarHBondContact OG-CB 3.49Å; S124-K530 WeakPolarHBondContact OG-CE 3.44Å; S124-K530 PolarHBondContact OG-NZ 2.6Å
125	P	97.4	Very high	96.1	Very high	86 Å²	86	49.2 Å²	49.2	56%	0.558	26%	0.257	S	S	*	.	S	Bend	cis	-66.2	161.6	10.3	28.7	-36.2	0	0	0	115.1	P123 Y140	P123-P125 CarbonylContact C-O 3.56Å; P125-Y140 HydrophobicContact CB-CD2 3.96Å; P125-Y140 HydrophobicContact CB-CE2 3.87Å
126	P	97.8	Very high	96.2	Very high	21 Å²	21	50 Å²	50	14%	0.136	26%	0.264	C	S	.	.			trans	-64.9	152.8	178.7	27.8	-35	0	0	0	112.2	T147 R374	P126-T147 HydrophobicContact CB-CG2 4.27Å; P126-T147 WeakPolarHBondContact CB-OG1 3.39Å; P126-R374 HydrophobicContact CB-CB 3.72Å; P126-R374 HydrophobicContact CB-CG 3.84Å; P126-R374 HydrophobicContact CG-CB 3.91Å; P126-R374 HydrophobicContact CG-CG 4.06Å
127	T	97.3	Very high	96.4	Very high	22 Å²	22	57.7 Å²	57.7	14%	0.135	29%	0.289	C	S	.	.			trans	-105.7	-77.6	-171.9	49	0	0	0	0	112.8	P123 I135 S139 R148	P123-T127 HydrophobicContact CB-CG2 3.87Å; P123-T127 HydrophobicContact CG-CG2 4.26Å; T127-I135 HydrophobicContact CG2-CD1 4.23Å; T127-I135 HydrophobicContact CG2-CG1 4.28Å; T127-S139 WeakPolarHBondContact O-CB 3.46Å; T127-S139 PolarHBondContact O-OG 3.25Å; T127-R148 PolarHBondContact OG1-O 3.33Å
128	F	97.7	Very high	96.5	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	168.9	-170.8	-47.2	-54.9	0	0	0	111.8	Y132 N133 T147 R148 P151	F128-Y132 WeakPolarHBondContact CB-O 3.46Å; F128-N133 VanDerWaalsContact CD1-C 3.49Å; F128-N133 WeakPolarHBondContact CE1-O 3.3Å; F128-T147 CarbonylContact O-C 3.44Å; F128-T147 WeakPolarHBondContact O-CA 3.29Å; F128-T147 WeakPolarHBondContact O-CB 3.31Å; F128-T147 PolarHBondContact O-OG1 3.18Å; F128-R148 HydrophobicContact CB-CB 4.22Å; F128-R148 PolarHBondContact O-N 3.23Å; F128-P151 HydrophobicContact CD2-CB 4.32Å; F128-P151 HydrophobicContact CE2-CB 4.47Å; F128-P151 HydrophobicContact CE2-CG 4.43Å; F128-P151 HydrophobicContact CG-CB 4.49Å
129	N	97.1	Very high	96.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-173.9	164.8	67.3	35.9	0	0	0	110.5	K131 Y132 Y145 Y146	N129-K131 PolarHBondContact O-N 2.98Å; N129-K131 WeakPolarHBondContact OD1-CA 3.38Å; N129-K131 PolarHBondContact OD1-N 3.24Å; N129-Y132 PolarHBondContact N-O 2.94Å; N129-Y132 VanDerWaalsContact N-O 3.08Å; N129-Y132 WeakPolarHBondContact OD1-CD2 3.48Å; N129-Y132 PolarHBondContact OD1-N 3.23Å; N129-Y145 HydrophobicContact CB-CD1 3.98Å; N129-Y145 HydrophobicContact CB-CG 4.06Å; N129-Y146 WeakPolarHBondContact CB-O 3.45Å
130	S	93.9	Very high	96.7	Very high	23 Å²	23	61.6 Å²	61.6	16%	0.161	30%	0.301	C	S	.	.	S	Bend	trans	-63.6	-19.3	-178.1	-61	0	0	0	0	114.7	L456	S130-L456 WeakPolarHBondContact OG-CD2 3.4Å
131	K	94.5	Very high	96.8	Very high	130 Å²	130	63.7 Å²	63.7	57%	0.565	30%	0.301	S	S	*	.	S	Bend	trans	-101.2	-41.2	179.3	-176.4	173.5	179.6	-176.9	0	112.9	N129 Y145	N129-K131 PolarHBondContact O-N 2.98Å; N129-K131 WeakPolarHBondContact OD1-CA 3.38Å; N129-K131 PolarHBondContact OD1-N 3.24Å; K131-Y145 HydrophobicContact CB-CE1 4.15Å; K131-Y145 WeakPolarHBondContact CD-OH 3.41Å
132	Y	96.3	Very high	96.8	Very high	44 Å²	44	64.9 Å²	64.9	17%	0.173	31%	0.307	C	S	.	.			trans	-108.4	114.5	-175.2	-58.7	-82.7	0	0	0	110.6	F128 N129 Y134 E138	F128-Y132 WeakPolarHBondContact CB-O 3.46Å; N129-Y132 PolarHBondContact N-O 2.94Å; N129-Y132 VanDerWaalsContact N-O 3.08Å; N129-Y132 WeakPolarHBondContact OD1-CD2 3.48Å; N129-Y132 PolarHBondContact OD1-N 3.23Å; Y132-Y134 VanDerWaalsContact C-N 3.31Å; Y132-Y134 HydrophobicContact CD1-CE2 4.2Å; Y132-Y134 AromaticContact CD1-CZ 3.9Å; Y132-E138 HydrophobicContact CD2-CG 4.32Å; Y132-E138 HydrophobicContact CE2-CB 3.96Å; Y132-E138 HydrophobicContact CE2-CG 3.44Å; Y132-E138 VanDerWaalsContact CE2-CG 3.44Å
133	N	94.9	Very high	96.8	Very high	69 Å²	69	67.7 Å²	67.7	37%	0.369	32%	0.322	S	S	.	.	S	Bend	trans	-92	11.7	176	64.3	-14.5	0	0	0	113.4	F128 P151 P152	F128-N133 VanDerWaalsContact CD1-C 3.49Å; F128-N133 WeakPolarHBondContact CE1-O 3.3Å; N133-P151 HydrophobicContact CB-CB 3.77Å; N133-P152 HydrophobicContact CB-CG 3.9Å
134	Y	95.3	Very high	96.9	Very high	131 Å²	131	67.3 Å²	67.3	51%	0.514	32%	0.321	S	S	.	.	S	Bend	trans	-135	160.3	173.6	52.7	-92.8	0	0	0	109.2	Y132 S136	Y132-Y134 VanDerWaalsContact C-N 3.31Å; Y132-Y134 HydrophobicContact CD1-CE2 4.2Å; Y132-Y134 AromaticContact CD1-CZ 3.9Å; Y134-S136 PolarHBondContact O-N 2.75Å
135	I	97.4	Very high	97	Very high	128 Å²	128	66.1 Å²	66.1	66%	0.656	31%	0.31	S	S	*	.			trans	-65.8	126.7	176.1	-63.2	175.3	0	0	0	108.8	T127	T127-I135 HydrophobicContact CG2-CD1 4.23Å; T127-I135 HydrophobicContact CG2-CG1 4.28Å
136	S	98.1	Very high	97	Very high	22 Å²	22	62 Å²	62	15%	0.154	28%	0.283	C	S	.	.			trans	-143	156	177.6	74.6	0	0	0	0	110.7	Y134 E138 S139 Y140	Y134-S136 PolarHBondContact O-N 2.75Å; S136-E138 PolarHBondContact O-N 3.39Å; S136-S139 PolarHBondContact O-N 2.82Å; S136-S139 WeakPolarHBondContact OG-CB 3.46Å; S136-S139 PolarHBondContact OG-N 2.78Å; S136-S139 VanDerWaalsContact OG-N 3.11Å; S136-Y140 PolarHBondContact O-N 2.67Å; S136-Y140 VanDerWaalsContact O-N 3.11Å
137	W	98.1	Very high	97.1	Very high	192 Å²	192	61.5 Å²	61.5	73%	0.727	28%	0.28	S	S	*	.	H	α-helix	trans	-60.6	-35.5	176.2	-167.9	-102.3	0	0	0	112.1	Y140 Y141	W137-Y140 HydrophobicContact CE3-CD1 4.3Å; W137-Y140 HydrophobicContact CH2-CD1 4.32Å; W137-Y140 HydrophobicContact CH2-CE1 4.23Å; W137-Y140 HydrophobicContact CZ3-CD1 4.17Å; W137-Y140 HydrophobicContact CZ3-CE1 4.39Å; W137-Y140 PolarHBondContact O-N 3.34Å; W137-Y141 VanDerWaalsContact O-CB 3.29Å; W137-Y141 WeakPolarHBondContact O-CB 3.31Å; W137-Y141 PolarHBondContact O-N 3.17Å
138	E	97.8	Very high	97.1	Very high	73 Å²	73	60.5 Å²	60.5	34%	0.341	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-43.4	175.8	-178.2	60.5	-162.3	0	0	111.9	Y132 S136 Y140 N142	Y132-E138 HydrophobicContact CD2-CG 4.32Å; Y132-E138 HydrophobicContact CE2-CB 3.96Å; Y132-E138 HydrophobicContact CE2-CG 3.44Å; Y132-E138 VanDerWaalsContact CE2-CG 3.44Å; S136-E138 PolarHBondContact O-N 3.39Å; E138-Y140 VanDerWaalsContact C-N 3.3Å; E138-Y140 PolarHBondContact O-N 2.89Å; E138-N142 VanDerWaalsContact O-CB 3.25Å; E138-N142 WeakPolarHBondContact O-CB 3.3Å; E138-N142 PolarHBondContact O-N 2.84Å; E138-N142 WeakPolarHBondContact OE1-CB 3.46Å; E138-N142 PolarHBondContact OE1-ND2 3.21Å
139	S	97.1	Very high	97	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-38.8	176.5	-173	0	0	0	0	112	T127 S136 R374	T127-S139 WeakPolarHBondContact O-CB 3.46Å; T127-S139 PolarHBondContact O-OG 3.25Å; S136-S139 PolarHBondContact O-N 2.82Å; S136-S139 WeakPolarHBondContact OG-CB 3.46Å; S136-S139 PolarHBondContact OG-N 2.78Å; S136-S139 VanDerWaalsContact OG-N 3.11Å; S139-R374 PolarHBondContact O-NH1 3.2Å; S139-R374 VanDerWaalsContact O-NH1 3.17Å
140	Y	97.3	Very high	97.1	Very high	105 Å²	105	61.2 Å²	61.2	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-69.2	-52.4	176.8	172	-106.7	0	0	0	112.3	P125 S136 W137 E138 R374	P125-Y140 HydrophobicContact CB-CD2 3.96Å; P125-Y140 HydrophobicContact CB-CE2 3.87Å; S136-Y140 PolarHBondContact O-N 2.67Å; S136-Y140 VanDerWaalsContact O-N 3.11Å; W137-Y140 HydrophobicContact CE3-CD1 4.3Å; W137-Y140 HydrophobicContact CH2-CD1 4.32Å; W137-Y140 HydrophobicContact CH2-CE1 4.23Å; W137-Y140 HydrophobicContact CZ3-CD1 4.17Å; W137-Y140 HydrophobicContact CZ3-CE1 4.39Å; W137-Y140 PolarHBondContact O-N 3.34Å; E138-Y140 VanDerWaalsContact C-N 3.3Å; E138-Y140 PolarHBondContact O-N 2.89Å; Y140-R374 PolarHBondContact O-NH2 3.45Å
141	Y	96.4	Very high	97.2	Very high	163 Å²	163	61.7 Å²	61.7	64%	0.639	28%	0.28	S	S	*	.	H	α-helix	trans	-80.8	-37.4	-168.1	-175	-97.4	0	0	0	113.6	W137 L143	W137-Y141 VanDerWaalsContact O-CB 3.29Å; W137-Y141 WeakPolarHBondContact O-CB 3.31Å; W137-Y141 PolarHBondContact O-N 3.17Å; Y141-L143 PolarHBondContact O-N 3.37Å; Y141-L143 VanDerWaalsContact O-N 3.07Å
142	N	97.7	Very high	97.2	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.214	25%	0.254	C	S	.	.			trans	-78.2	99.6	-174.5	-170.4	-16.5	0	0	0	112	E138 S144 Y145	E138-N142 VanDerWaalsContact O-CB 3.25Å; E138-N142 WeakPolarHBondContact O-CB 3.3Å; E138-N142 PolarHBondContact O-N 2.84Å; E138-N142 WeakPolarHBondContact OE1-CB 3.46Å; E138-N142 PolarHBondContact OE1-ND2 3.21Å; N142-S144 PolarHBondContact O-N 3.1Å; N142-S144 VanDerWaalsContact OD1-CB 3.27Å; N142-S144 WeakPolarHBondContact OD1-CB 3.44Å; N142-S144 PolarHBondContact OD1-N 2.74Å; N142-S144 PolarHBondContact OD1-OG 3.2Å; N142-Y145 HydrophobicContact CB-CD2 4.06Å; N142-Y145 HydrophobicContact CB-CE2 4.45Å; N142-Y145 PolarHBondContact O-N 2.8Å
143	L	97.9	Very high	97.2	Very high	76 Å²	76	53.6 Å²	53.6	40%	0.398	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.3	179.4	-53.7	-176.1	0	0	0	114	Y141 Y145 L222 H224 R374	Y141-L143 PolarHBondContact O-N 3.37Å; Y141-L143 VanDerWaalsContact O-N 3.07Å; L143-Y145 PolarHBondContact O-N 2.85Å; L143-L222 HydrophobicContact CB-CB 4.47Å; L143-L222 HydrophobicContact CB-CD2 4.42Å; L143-L222 WeakPolarHBondContact O-CD2 2.9Å; L143-H224 PolarHBondContact O-NE2 3.45Å; L143-R374 VanDerWaalsContact CD2-CZ 3.49Å
144	S	98.1	Very high	97.2	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16	176.2	-51.6	0	0	0	0	111.8	N142 F218 T219	N142-S144 PolarHBondContact O-N 3.1Å; N142-S144 VanDerWaalsContact OD1-CB 3.27Å; N142-S144 WeakPolarHBondContact OD1-CB 3.44Å; N142-S144 PolarHBondContact OD1-N 2.74Å; N142-S144 PolarHBondContact OD1-OG 3.2Å; S144-F218 CarbonylContact O-C 3.52Å; S144-F218 WeakPolarHBondContact O-CA 3.5Å; S144-F218 WeakPolarHBondContact O-CB 3.44Å; S144-F218 WeakPolarHBondContact O-CD1 3.5Å; S144-T219 PolarHBondContact O-N 3.44Å
145	Y	98.4	Very high	97.1	Very high	17 Å²	17	52.9 Å²	52.9	7%	0.067	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-88.8	138.4	177.8	-77.1	-81.7	0	0	0	112.2	N129 K131 N142 L143 F218 H224	N129-Y145 HydrophobicContact CB-CD1 3.98Å; N129-Y145 HydrophobicContact CB-CG 4.06Å; K131-Y145 HydrophobicContact CB-CE1 4.15Å; K131-Y145 WeakPolarHBondContact CD-OH 3.41Å; N142-Y145 HydrophobicContact CB-CD2 4.06Å; N142-Y145 HydrophobicContact CB-CE2 4.45Å; N142-Y145 PolarHBondContact O-N 2.8Å; L143-Y145 PolarHBondContact O-N 2.85Å; Y145-F218 HydrophobicContact CD1-CD1 4.08Å; Y145-F218 AromaticContact CD1-CE1 3.75Å; Y145-F218 HydrophobicContact CD1-CE1 3.75Å; Y145-F218 HydrophobicContact CD1-CZ 4.03Å; Y145-F218 HydrophobicContact CD2-CD1 4.47Å; Y145-F218 AromaticContact CD2-CE1 3.92Å; Y145-F218 HydrophobicContact CD2-CE1 3.92Å; Y145-F218 HydrophobicContact CE1-CD1 4.14Å; Y145-F218 AromaticContact CE1-CE1 3.38Å; Y145-F218 HydrophobicContact CE1-CE1 3.38Å; Y145-F218 AromaticContact CE1-CE2 3.9Å; Y145-F218 HydrophobicContact CE1-CE2 3.9Å; Y145-F218 AromaticContact CE1-CZ 3.26Å; Y145-F218 HydrophobicContact CE1-CZ 3.26Å; Y145-F218 AromaticContact CE2-CE1 3.56Å; Y145-F218 HydrophobicContact CE2-CE1 3.56Å; Y145-F218 HydrophobicContact CE2-CZ 4.03Å; Y145-F218 HydrophobicContact CG-CD1 4.26Å; Y145-F218 HydrophobicContact CG-CE1 4.01Å; Y145-F218 AromaticContact CZ-CE1 3.28Å; Y145-F218 AromaticContact CZ-CZ 3.26Å; Y145-F218 VanDerWaalsContact OH-CZ 3.3Å; Y145-F218 WeakPolarHBondContact OH-CZ 3.44Å; Y145-H224 PolarHBondContact O-CE1 3.42Å; Y145-H224 VanDerWaalsContact O-CE1 3.24Å
146	Y	98.6	Very high	96.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.237	C	C	.	.			trans	-63.9	142.5	151.3	-68.3	-60.1	0	0	0	109.6	N129 F208 K209 T210 G217 T219 I375 L377	N129-Y146 WeakPolarHBondContact CB-O 3.45Å; Y146-F208 WeakPolarHBondContact OH-CA 3.31Å; Y146-K209 PolarHBondContact OH-N 3.43Å; Y146-K209 VanDerWaalsContact OH-N 3.13Å; Y146-T210 HydrophobicContact CE2-CG2 4.45Å; Y146-T210 PolarHBondContact OH-N 2.94Å; Y146-T210 PolarHBondContact OH-OG1 3.38Å; Y146-G217 PolarHBondContact N-O 2.84Å; Y146-T219 HydrophobicContact CD1-CG2 4.24Å; Y146-T219 HydrophobicContact CE1-CG2 4.14Å; Y146-I375 WeakPolarHBondContact CA-O 3.46Å; Y146-I375 HydrophobicContact CD1-CB 3.97Å; Y146-I375 HydrophobicContact CD1-CG2 3.69Å; Y146-I375 WeakPolarHBondContact CD1-O 3.07Å; Y146-I375 HydrophobicContact CE1-CB 4.12Å; Y146-I375 HydrophobicContact CE1-CG2 3.62Å; Y146-L377 HydrophobicContact CD2-CD1 4.32Å
147	T	98.6	Very high	96.8	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	174.8	169.3	-166.1	0	0	0	0	110.8	P126 F128 R374 I375 A376 L377	P126-T147 HydrophobicContact CB-CG2 4.27Å; P126-T147 WeakPolarHBondContact CB-OG1 3.39Å; F128-T147 CarbonylContact O-C 3.44Å; F128-T147 WeakPolarHBondContact O-CA 3.29Å; F128-T147 WeakPolarHBondContact O-CB 3.31Å; F128-T147 PolarHBondContact O-OG1 3.18Å; T147-R374 VanDerWaalsContact CB-CG 3.47Å; T147-R374 HydrophobicContact CG2-CB 3.83Å; T147-R374 HydrophobicContact CG2-CG 3.55Å; T147-R374 WeakPolarHBondContact CG2-O 3.37Å; T147-I375 PolarHBondContact N-O 3.26Å; T147-A376 HydrophobicContact CG2-CB 4.04Å; T147-A376 CarbonylContact O-C 3.56Å; T147-A376 VanDerWaalsContact O-CA 3.24Å; T147-A376 WeakPolarHBondContact O-CA 3.33Å; T147-L377 PolarHBondContact O-N 2.94Å
148	R	97.6	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145	174	-63.6	-175.3	60.9	172.5	-1.4	110.6	T127 F128 L150 P152 L377 E378 L456 R457	T127-R148 PolarHBondContact OG1-O 3.33Å; F128-R148 HydrophobicContact CB-CB 4.22Å; F128-R148 PolarHBondContact O-N 3.23Å; R148-L150 WeakPolarHBondContact CB-O 3.47Å; R148-L150 PolarHBondContact NE-O 2.77Å; R148-P152 VanDerWaalsContact NH1-CB 3.34Å; R148-L377 HydrophobicContact CG-CB 4.19Å; R148-L377 HydrophobicContact CG-CD2 4.48Å; R148-E378 WeakPolarHBondContact CA-OE2 3.05Å; R148-E378 IonicContact NE-OE1 3.49Å; R148-L456 PolarHBondContact NH1-O 3.43Å; R148-R457 PolarHBondContact NH2-O 3.13Å
149	I	97	Very high	96.6	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.041	21%	0.212	C	C	.	.	S	Bend	trans	-83	-41.1	176.2	-68.5	-166.1	0	0	0	111	I122 E378 R467 F468 F527	I122-I149 HydrophobicContact CD1-CD1 3.63Å; I149-E378 PolarHBondContact N-OE1 2.85Å; I149-E378 VanDerWaalsContact N-OE1 3.14Å; I149-R467 HydrophobicContact CG2-CG 3.49Å; I149-R467 VanDerWaalsContact CG2-CG 3.49Å; I149-F468 HydrophobicContact CD1-CE1 4.45Å; I149-F468 HydrophobicContact CD1-CE2 4.26Å; I149-F468 HydrophobicContact CD1-CZ 3.64Å; I149-F527 HydrophobicContact CD1-CD1 4.38Å; I149-F527 HydrophobicContact CD1-CE1 3.31Å; I149-F527 HydrophobicContact CD1-CE2 4.21Å; I149-F527 HydrophobicContact CD1-CZ 3.2Å; I149-F527 HydrophobicContact CG1-CE1 3.82Å; I149-F527 HydrophobicContact CG1-CZ 3.79Å
150	L	97.3	Very high	96.5	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.12	23%	0.228	C	C	.	.	S	Bend	trans	-107.4	142	173.5	-68.4	179.3	0	0	0	109.5	R148 Q459 E463 Y464 R467	R148-L150 WeakPolarHBondContact CB-O 3.47Å; R148-L150 PolarHBondContact NE-O 2.77Å; L150-Q459 HydrophobicContact CB-CG 4.48Å; L150-Q459 HydrophobicContact CD1-CB 4.33Å; L150-E463 HydrophobicContact CD1-CB 4.02Å; L150-Y464 HydrophobicContact CB-CE1 4Å; L150-Y464 HydrophobicContact CD1-CD1 3.76Å; L150-Y464 HydrophobicContact CD1-CD2 4.11Å; L150-Y464 HydrophobicContact CD1-CE1 3.71Å; L150-Y464 HydrophobicContact CD1-CE2 4.08Å; L150-Y464 HydrophobicContact CD1-CG 3.96Å; L150-Y464 HydrophobicContact CG-CD1 4.25Å; L150-Y464 HydrophobicContact CG-CE1 3.88Å; L150-R467 HydrophobicContact CD1-CB 4.14Å; L150-R467 HydrophobicContact CD1-CG 4.45Å; L150-R467 HydrophobicContact CD2-CB 4.12Å; L150-R467 HydrophobicContact CD2-CG 3.89Å; L150-R467 HydrophobicContact CG-CB 4.27Å; L150-R467 HydrophobicContact CG-CG 4.06Å
151	P	96.1	Very high	96.4	Very high	33 Å²	33	40.2 Å²	40.2	21%	0.214	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-64.2	156	174.5	27.8	-32.8	0	0	0	110.7	F128 N133 Q459	F128-P151 HydrophobicContact CD2-CB 4.32Å; F128-P151 HydrophobicContact CE2-CB 4.47Å; F128-P151 HydrophobicContact CE2-CG 4.43Å; F128-P151 HydrophobicContact CG-CB 4.49Å; N133-P151 HydrophobicContact CB-CB 3.77Å; P151-Q459 WeakPolarHBondContact O-CG 3.47Å; P151-Q459 PolarHBondContact O-NE2 3.5Å
152	P	96.1	Very high	96.3	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.019	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-57.4	146.7	171	21.4	-31.3	0	0	0	112.5	N133 R148 R457	N133-P152 HydrophobicContact CB-CG 3.9Å; R148-P152 VanDerWaalsContact NH1-CB 3.34Å; P152-R457 VanDerWaalsContact CA-O 3.25Å; P152-R457 WeakPolarHBondContact CA-O 3.4Å; P152-R457 HydrophobicContact CB-CB 3.88Å
153	V	95.8	Very high	96.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-55.7	123.1	169.1	177	0	0	0	0	108.7	C157 R457 Q459	V153-C157 HydrophobicContact CG1-CB 4.27Å; V153-R457 HydrophobicContact CB-CB 4.3Å; V153-R457 PolarHBondContact N-O 3.5Å; V153-R457 WeakPolarHBondContact O-CD 3.19Å; V153-R457 PolarHBondContact O-NH1 3.48Å; V153-Q459 HydrophobicContact CG2-CB 4.33Å; V153-Q459 HydrophobicContact CG2-CG 3.81Å
154	P	94.9	Very high	96.1	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.123	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-51.3	145.7	-177	-24.2	30.3	0	0	0	114.1	N32 D156 C157	N32-P154 WeakPolarHBondContact ND2-CB 3.21Å; P154-D156 VanDerWaalsContact C-N 3.26Å; P154-D156 WeakPolarHBondContact CB-OD1 3.5Å; P154-D156 PolarHBondContact O-N 3.06Å; P154-C157 VanDerWaalsContact CB-SG 3.6Å; P154-C157 VanDerWaalsContact CD-SG 3.57Å; P154-C157 WeakPolarHBondContact O-CB 3.31Å; P154-C157 PolarHBondContact O-N 3.08Å; P154-C157 PolarHBondContact O-SG 3.41Å
155	E	93.2	Very high	96	Very high	165 Å²	165	33.8 Å²	33.8	77%	0.771	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.9	-174.2	-59.3	-173.4	168.2	0	0	112.6	C157 R457	E155-C157 VanDerWaalsContact C-N 3.29Å; E155-C157 PolarHBondContact O-N 2.99Å; E155-R457 VanDerWaalsContact CG-CZ 3.46Å; E155-R457 IonicContact OE1-CZ 2.74Å; E155-R457 IonicContact OE1-NH2 3.58Å
156	D	93.9	Very high	95.7	Very high	84 Å²	84	38 Å²	38	45%	0.449	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	19.7	-179.8	59.9	-22.2	0	0	0	113.1	N32 R47 P154	N32-D156 VanDerWaalsContact CB-OD2 3.32Å; N32-D156 WeakPolarHBondContact CB-OD2 3.07Å; N32-D156 PolarHBondContact ND2-OD1 2.79Å; N32-D156 PolarHBondContact ND2-OD2 3.34Å; R47-D156 IonicContact NH1-OD2 2.91Å; R47-D156 PolarHBondContact NH1-OD2 2.87Å; P154-D156 VanDerWaalsContact C-N 3.26Å; P154-D156 WeakPolarHBondContact CB-OD1 3.5Å; P154-D156 PolarHBondContact O-N 3.06Å
157	C	95	Very high	95.3	Very high	20 Å²	20	47.3 Å²	47.3	14%	0.135	25%	0.249	C	C	.	.			trans	-78.5	148	174.4	-64.6	0	0	0	0	112.9	C35 V153 P154 E155 T159	C35-C157 VanDerWaalsContact CA-SG 3.56Å; C35-C157 HydrophobicContact CB-CB 3.86Å; C35-C157 WeakPolarHBondContact CB-SG 3.39Å; C35-C157 WeakPolarHBondContact SG-CA 3.19Å; C35-C157 WeakPolarHBondContact SG-CB 3.13Å; C35-C157 CovalentContact SG-SG 2.03Å; C35-C157 PolarHBondContact SG-SG 3.33Å; V153-C157 HydrophobicContact CG1-CB 4.27Å; P154-C157 VanDerWaalsContact CB-SG 3.6Å; P154-C157 VanDerWaalsContact CD-SG 3.57Å; P154-C157 WeakPolarHBondContact O-CB 3.31Å; P154-C157 PolarHBondContact O-N 3.08Å; P154-C157 PolarHBondContact O-SG 3.41Å; E155-C157 VanDerWaalsContact C-N 3.29Å; E155-C157 PolarHBondContact O-N 2.99Å; C157-T159 VanDerWaalsContact C-N 3.28Å; C157-T159 PolarHBondContact O-N 2.95Å
158	P	94.9	Very high	95	Very high	70 Å²	70	49 Å²	49	46%	0.455	27%	0.268	S	S	.	.	S	Bend	trans	-71.2	-21.6	-177.5	28.2	-35.7	0	0	0	113.6	V31 G162 V163	V31-P158 HydrophobicContact CG1-CG 4.18Å; P158-G162 VanDerWaalsContact CD-O 3.29Å; P158-G162 WeakPolarHBondContact CD-O 3.5Å; P158-G162 WeakPolarHBondContact CG-O 3.3Å; P158-V163 HydrophobicContact CG-CB 4.38Å; P158-V163 HydrophobicContact CG-CG1 3.92Å
159	T	96.1	Very high	94.9	Very high	16 Å²	16	50.9 Å²	50.9	10%	0.098	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-126.8	158.9	173.6	72.6	0	0	0	0	110.1	C157 L161 G162 K164	C157-T159 VanDerWaalsContact C-N 3.28Å; C157-T159 PolarHBondContact O-N 2.95Å; T159-L161 PolarHBondContact O-N 3.13Å; T159-G162 PolarHBondContact N-O 3.12Å; T159-G162 PolarHBondContact O-N 3.41Å; T159-G162 PolarHBondContact OG1-N 3.4Å; T159-G162 PolarHBondContact OG1-O 3.3Å; T159-K164 PolarHBondContact OG1-O 3Å
160	P	95.4	Very high	95	Very high	55 Å²	55	51.1 Å²	51.1	36%	0.357	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-17.4	179.1	-27.4	37.4	0	0	0	115	K167 L169	P160-K167 WeakPolarHBondContact CD-O 3.41Å; P160-L169 HydrophobicContact CB-CD1 3.8Å; P160-L169 HydrophobicContact CB-CD2 4.5Å; P160-L169 HydrophobicContact CB-CG 3.92Å; P160-L169 HydrophobicContact CG-CD1 4.44Å; P160-L169 HydrophobicContact CG-CG 4.09Å
161	L	95.4	Very high	95	Very high	12 Å²	12	54 Å²	54	6%	0.063	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	16.2	-173.5	-74.7	-178.6	0	0	0	113.1	T159 L169 I458 P460 A498 E500	T159-L161 PolarHBondContact O-N 3.13Å; L161-L169 HydrophobicContact CD1-CD2 3.69Å; L161-L169 HydrophobicContact CG-CD2 4.12Å; L161-I458 WeakPolarHBondContact CD2-O 3.49Å; L161-P460 HydrophobicContact CB-CG 3.96Å; L161-P460 HydrophobicContact CD2-CG 4.28Å; L161-P460 HydrophobicContact CG-CG 4.48Å; L161-A498 HydrophobicContact CD1-CB 4.26Å; L161-A498 WeakPolarHBondContact CD1-O 3.46Å; L161-E500 HydrophobicContact CD1-CG 4.12Å
162	G	95.1	Very high	95.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	115.6	-116	-178.4	0	0	0	0	0	110.5	C35 P158 T159	C35-G162 WeakPolarHBondContact O-CA 3.13Å; P158-G162 VanDerWaalsContact CD-O 3.29Å; P158-G162 WeakPolarHBondContact CD-O 3.5Å; P158-G162 WeakPolarHBondContact CG-O 3.3Å; T159-G162 PolarHBondContact N-O 3.12Å; T159-G162 PolarHBondContact O-N 3.41Å; T159-G162 PolarHBondContact OG1-N 3.4Å; T159-G162 PolarHBondContact OG1-O 3.3Å
163	V	95.8	Very high	95.2	Very high	41 Å²	41	56.5 Å²	56.5	25%	0.248	31%	0.305	C	S	.	.	S	Bend	trans	-115.2	-8.3	-178.4	-59.8	0	0	0	0	114.7	C35 Y36 P158	C35-V163 HydrophobicContact CB-CG1 3.92Å; Y36-V163 HydrophobicContact CD1-CB 4.2Å; Y36-V163 HydrophobicContact CD1-CG1 3.84Å; Y36-V163 HydrophobicContact CD1-CG2 3.67Å; Y36-V163 HydrophobicContact CD2-CG1 4.15Å; Y36-V163 HydrophobicContact CE1-CB 4.13Å; Y36-V163 HydrophobicContact CE1-CG1 3.78Å; Y36-V163 HydrophobicContact CE1-CG2 4.02Å; Y36-V163 HydrophobicContact CE2-CG1 4.11Å; Y36-V163 HydrophobicContact CG-CG1 4.01Å; Y36-V163 HydrophobicContact CG-CG2 4.31Å; P158-V163 HydrophobicContact CG-CB 4.38Å; P158-V163 HydrophobicContact CG-CG1 3.92Å
164	K	95.5	Very high	95.3	Very high	101 Å²	101	60 Å²	60	44%	0.439	33%	0.326	S	S	.	.	S	Bend	trans	-101.5	159.7	-175.2	-63	-62.5	-166	162.3	0	112	T159 D497	T159-K164 PolarHBondContact OG1-O 3Å; K164-D497 HydrophobicContact CB-CB 4.21Å; K164-D497 HydrophobicContact CG-CB 4.08Å
165	G	94.6	Very high	95.5	Very high	30 Å²	30	59 Å²	59	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	76.5	-169.2	179.1	0	0	0	0	0	114.4
166	K	93.4	Very high	95.8	Very high	106 Å²	106	51.3 Å²	51.3	46%	0.461	28%	0.284	S	S	.	.			trans	-77.6	159.8	-176.9	-62.8	178.5	-177.3	-177	0	111.8	G168 E491	K166-G168 WeakPolarHBondContact CB-O 3.48Å; K166-G168 PolarHBondContact O-N 2.83Å; K166-E491 PolarHBondContact NZ-O 3.01Å
167	K	89.7	Confident	96	Very high	194 Å²	194	52.2 Å²	52.2	84%	0.843	29%	0.286	S	S	*	.	S	Bend	trans	-59.8	-26.5	175.1	-71.8	-170	177.4	-175.5	0	113.6	P160	P160-K167 WeakPolarHBondContact CD-O 3.41Å
168	G	91.8	Very high	96.1	Very high	45 Å²	45	54.4 Å²	54.4	46%	0.464	29%	0.293	S	S	.	.	S	Bend	trans	-122.7	156.1	175.6	0	0	0	0	0	111	K166	K166-G168 WeakPolarHBondContact CB-O 3.48Å; K166-G168 PolarHBondContact O-N 2.83Å
169	L	96.9	Very high	96.3	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.215	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-91.9	154.1	174	-67.3	174.5	0	0	0	110.7	P160 L161 R454 Y493	P160-L169 HydrophobicContact CB-CD1 3.8Å; P160-L169 HydrophobicContact CB-CD2 4.5Å; P160-L169 HydrophobicContact CB-CG 3.92Å; P160-L169 HydrophobicContact CG-CD1 4.44Å; P160-L169 HydrophobicContact CG-CG 4.09Å; L161-L169 HydrophobicContact CD1-CD2 3.69Å; L161-L169 HydrophobicContact CG-CD2 4.12Å; L169-R454 HydrophobicContact CD1-CG 3.69Å; L169-Y493 HydrophobicContact CD2-CD1 4.41Å; L169-Y493 HydrophobicContact CD2-CE1 4.12Å
170	P	97.4	Very high	96.4	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.078	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-57.9	150.3	178.2	23.8	-34.7	0	0	0	111.8	P172 L175 R454 F492 Y493	P170-P172 WeakPolarHBondContact O-CD 3.2Å; P170-L175 HydrophobicContact CB-CD1 4.47Å; P170-L175 HydrophobicContact CG-CD1 3.85Å; P170-R454 PolarHBondContact O-NH1 2.91Å; P170-R454 PolarHBondContact O-NH2 3.44Å; P170-F492 HydrophobicContact CB-CB 3.86Å; P170-F492 HydrophobicContact CB-CD1 4.36Å; P170-F492 HydrophobicContact CB-CD2 4.39Å; P170-F492 HydrophobicContact CB-CG 3.97Å; P170-F492 HydrophobicContact CG-CB 4.07Å; P170-Y493 HydrophobicContact CG-CD1 4.36Å; P170-Y493 HydrophobicContact CG-CE1 3.77Å; P170-Y493 HydrophobicContact CG-CE2 4.01Å
171	D	98.3	Very high	96.5	Very high	84 Å²	84	50.5 Å²	50.5	45%	0.449	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-61	125.2	174.5	178.7	-93.3	0	0	0	110.4	E173 V174 L175	D171-E173 VanDerWaalsContact C-N 3.29Å; D171-E173 PolarHBondContact O-N 3.49Å; D171-E173 WeakPolarHBondContact OD1-CA 3.28Å; D171-E173 VanDerWaalsContact OD1-CB 3.28Å; D171-E173 WeakPolarHBondContact OD1-CB 3.37Å; D171-E173 PolarHBondContact OD1-N 2.83Å; D171-E173 VanDerWaalsContact OD1-N 3.08Å; D171-V174 HydrophobicContact CB-CB 4.09Å; D171-V174 HydrophobicContact CB-CG2 3.96Å; D171-V174 PolarHBondContact O-N 2.84Å; D171-V174 WeakPolarHBondContact OD1-CG2 3.42Å; D171-V174 PolarHBondContact OD1-N 3.38Å; D171-L175 WeakPolarHBondContact O-CB 3.32Å; D171-L175 PolarHBondContact O-N 3.35Å
172	P	98.4	Very high	96.6	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-37.4	-175.7	-26.4	36.2	0	0	0	113.5	P170 V176 V447 I450 K451	P170-P172 WeakPolarHBondContact O-CD 3.2Å; P172-V176 WeakPolarHBondContact O-CB 3.48Å; P172-V176 WeakPolarHBondContact O-CG2 3.24Å; P172-V176 PolarHBondContact O-N 2.89Å; P172-V447 HydrophobicContact CB-CG1 4.11Å; P172-I450 HydrophobicContact CB-CB 4.23Å; P172-I450 HydrophobicContact CB-CG2 3.93Å; P172-I450 HydrophobicContact CG-CG2 4.01Å; P172-K451 HydrophobicContact CB-CG 4.3Å; P172-K451 HydrophobicContact CG-CG 3.88Å
173	E	98.4	Very high	96.6	Very high	79 Å²	79	57.9 Å²	57.9	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-46	178.2	-72	79.2	169.2	0	0	111	D171 V176 E177 V447 K451	D171-E173 VanDerWaalsContact C-N 3.29Å; D171-E173 PolarHBondContact O-N 3.49Å; D171-E173 WeakPolarHBondContact OD1-CA 3.28Å; D171-E173 VanDerWaalsContact OD1-CB 3.28Å; D171-E173 WeakPolarHBondContact OD1-CB 3.37Å; D171-E173 PolarHBondContact OD1-N 2.83Å; D171-E173 VanDerWaalsContact OD1-N 3.08Å; E173-V176 PolarHBondContact O-N 2.93Å; E173-E177 VanDerWaalsContact O-CB 3.3Å; E173-E177 WeakPolarHBondContact O-CB 3.13Å; E173-E177 PolarHBondContact O-N 3.01Å; E173-V447 HydrophobicContact CG-CG1 3.93Å; E173-V447 HydrophobicContact CG-CG2 4.24Å; E173-V447 WeakPolarHBondContact OE1-CG1 3.11Å; E173-K451 WeakPolarHBondContact OE1-CE 3.39Å; E173-K451 IonicContact OE1-NZ 3.73Å; E173-K451 PolarHBondContact OE1-NZ 2.89Å; E173-K451 WeakPolarHBondContact OE2-CE 3.42Å; E173-K451 IonicContact OE2-NZ 2.83Å; E173-K451 PolarHBondContact OE2-NZ 3.35Å
174	V	98.4	Very high	96.7	Very high	75 Å²	75	61.3 Å²	61.3	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-42.8	176	177	0	0	0	0	111.4	D171 E177 K178 F492	D171-V174 HydrophobicContact CB-CB 4.09Å; D171-V174 HydrophobicContact CB-CG2 3.96Å; D171-V174 PolarHBondContact O-N 2.84Å; D171-V174 WeakPolarHBondContact OD1-CG2 3.42Å; D171-V174 PolarHBondContact OD1-N 3.38Å; V174-E177 PolarHBondContact O-N 3.04Å; V174-K178 VanDerWaalsContact O-CB 3.29Å; V174-K178 WeakPolarHBondContact O-CB 3.41Å; V174-K178 PolarHBondContact O-N 3.26Å; V174-F492 HydrophobicContact CG1-CE1 4.27Å; V174-F492 HydrophobicContact CG1-CZ 3.91Å
175	L	98.4	Very high	96.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-49.1	177.7	-174.5	158.3	0	0	0	111	P170 D171 K178 L179 L180 I450 F492 Y493 P503	P170-L175 HydrophobicContact CB-CD1 4.47Å; P170-L175 HydrophobicContact CG-CD1 3.85Å; D171-L175 WeakPolarHBondContact O-CB 3.32Å; D171-L175 PolarHBondContact O-N 3.35Å; L175-K178 PolarHBondContact O-N 3.27Å; L175-L179 HydrophobicContact CG-CD1 4.37Å; L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 PolarHBondContact O-N 3.1Å; L175-L180 HydrophobicContact CD2-CD1 4.11Å; L175-L180 HydrophobicContact CD2-CG 4.4Å; L175-I450 HydrophobicContact CD2-CD1 3.93Å; L175-F492 HydrophobicContact CB-CE2 4.44Å; L175-Y493 HydrophobicContact CD1-CE2 4.05Å; L175-Y493 VanDerWaalsContact CD1-OH 3.22Å; L175-Y493 WeakPolarHBondContact CD1-OH 3.48Å; L175-P503 HydrophobicContact CD1-CG 4.3Å; L175-P503 HydrophobicContact CD2-CB 4.38Å; L175-P503 HydrophobicContact CD2-CG 4.32Å
176	V	98.4	Very high	96.9	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	30%	0.299	C	S	.	.	I	π-helix	trans	-63.4	-45.4	-179.5	168.9	0	0	0	0	111	P172 E173 L180 K181 A446 V447 I450	P172-V176 WeakPolarHBondContact O-CB 3.48Å; P172-V176 WeakPolarHBondContact O-CG2 3.24Å; P172-V176 PolarHBondContact O-N 2.89Å; E173-V176 PolarHBondContact O-N 2.93Å; V176-L180 HydrophobicContact CG1-CB 4.36Å; V176-L180 HydrophobicContact CG2-CD1 3.97Å; V176-L180 PolarHBondContact O-N 3.4Å; V176-K181 PolarHBondContact O-N 3.21Å; V176-A446 HydrophobicContact CG1-CB 4.5Å; V176-A446 HydrophobicContact CG2-CB 4.1Å; V176-V447 HydrophobicContact CB-CG2 3.9Å; V176-V447 HydrophobicContact CG1-CG2 4.09Å; V176-V447 HydrophobicContact CG2-CG2 3.71Å; V176-I450 HydrophobicContact CG2-CD1 3.76Å
177	E	98.1	Very high	97.2	Very high	104 Å²	104	59.1 Å²	59.1	49%	0.486	30%	0.296	S	S	.	.	I	π-helix	trans	-62.6	-43.7	179.4	-172.1	67.4	-157.3	0	0	111.6	E173 V174 K181	E173-E177 VanDerWaalsContact O-CB 3.3Å; E173-E177 WeakPolarHBondContact O-CB 3.13Å; E173-E177 PolarHBondContact O-N 3.01Å; V174-E177 PolarHBondContact O-N 3.04Å; E177-K181 VanDerWaalsContact CD-CD 3.46Å; E177-K181 WeakPolarHBondContact OE1-CD 3.5Å; E177-K181 IonicContact OE1-NZ 3.61Å; E177-K181 PolarHBondContact OE1-NZ 2.86Å; E177-K181 WeakPolarHBondContact OE2-CD 3.01Å; E177-K181 IonicContact OE2-NZ 3.53Å; E177-K181 PolarHBondContact OE2-NZ 3.44Å
178	K	97.9	Very high	97.6	Very high	66 Å²	66	50.1 Å²	50.1	29%	0.287	26%	0.257	S	S	.	.	I	π-helix	trans	-75.8	-38.6	-176.7	-165.7	176.9	-175.8	-178.2	0	112.7	V174 L175 R183 H436 A488 E491 F492	V174-K178 VanDerWaalsContact O-CB 3.29Å; V174-K178 WeakPolarHBondContact O-CB 3.41Å; V174-K178 PolarHBondContact O-N 3.26Å; L175-K178 PolarHBondContact O-N 3.27Å; K178-R183 PolarHBondContact O-NH2 3.2Å; K178-H436 PolarHBondContact O-CD2 2.77Å; K178-H436 PolarHBondContact O-NE2 3.44Å; K178-A488 HydrophobicContact CD-CB 4.08Å; K178-E491 IonicContact NZ-OE2 2.91Å; K178-E491 PolarHBondContact NZ-OE2 2.89Å; K178-F492 HydrophobicContact CB-CZ 4.41Å; K178-F492 HydrophobicContact CD-CE1 4.4Å; K178-F492 HydrophobicContact CD-CE2 4Å; K178-F492 HydrophobicContact CD-CZ 3.5Å
179	L	98.3	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-118	-26.6	-164.8	-55.6	-177.3	0	0	0	115.7	L175 H436 I485 A488 L489 F492 L507	L175-L179 HydrophobicContact CG-CD1 4.37Å; L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 PolarHBondContact O-N 3.1Å; L179-H436 VanDerWaalsContact C-CD2 3.49Å; L179-H436 PolarHBondContact O-CD2 2.77Å; L179-H436 PolarHBondContact O-N 2.68Å; L179-I485 HydrophobicContact CD2-CG1 4.28Å; L179-I485 HydrophobicContact CD2-CG2 4.49Å; L179-A488 HydrophobicContact CD1-CB 4.49Å; L179-A488 HydrophobicContact CD2-CB 3.74Å; L179-L489 HydrophobicContact CD1-CD2 3.59Å; L179-L489 HydrophobicContact CD1-CG 3.95Å; L179-F492 HydrophobicContact CD1-CD2 4.04Å; L179-F492 HydrophobicContact CD1-CE2 3.94Å; L179-F492 HydrophobicContact CG-CE2 4.3Å; L179-L507 HydrophobicContact CB-CD1 4.12Å; L179-L507 HydrophobicContact CB-CD2 3.88Å; L179-L507 HydrophobicContact CD1-CD1 3.93Å; L179-L507 WeakPolarHBondContact O-CD2 3.17Å
180	L	98.2	Very high	97.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.255	C	S	.	.	I	π-helix	trans	-108	-37.9	-174	-64.3	177.5	0	0	0	113	L175 V176 R182 H436 N437 M438 A446 L506 L507	L175-L180 HydrophobicContact CD2-CD1 4.11Å; L175-L180 HydrophobicContact CD2-CG 4.4Å; V176-L180 HydrophobicContact CG1-CB 4.36Å; V176-L180 HydrophobicContact CG2-CD1 3.97Å; V176-L180 PolarHBondContact O-N 3.4Å; L180-R182 PolarHBondContact O-N 3.07Å; L180-H436 CarbonylContact O-C 3.35Å; L180-N437 PolarHBondContact O-N 2.9Å; L180-N437 VanDerWaalsContact O-N 3.13Å; L180-M438 HydrophobicContact CB-CB 4.46Å; L180-M438 WeakPolarHBondContact O-CB 3.36Å; L180-M438 PolarHBondContact O-N 3.39Å; L180-A446 HydrophobicContact CD1-CB 4.4Å; L180-L506 HydrophobicContact CD1-CD1 4.32Å; L180-L506 HydrophobicContact CD2-CB 3.72Å; L180-L506 HydrophobicContact CD2-CD1 4Å; L180-L507 HydrophobicContact CD2-CD2 3.61Å; L180-L507 HydrophobicContact CD2-CG 3.95Å; L180-L507 HydrophobicContact CG-CD2 4.49Å
181	K	98.2	Very high	97.8	Very high	55 Å²	55	51.2 Å²	51.2	24%	0.239	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-59.5	135.8	-176.9	-170.3	175.9	176.9	-175.6	0	111.5	V176 E177 R183 H436 M438	V176-K181 PolarHBondContact O-N 3.21Å; E177-K181 VanDerWaalsContact CD-CD 3.46Å; E177-K181 WeakPolarHBondContact OE1-CD 3.5Å; E177-K181 IonicContact OE1-NZ 3.61Å; E177-K181 PolarHBondContact OE1-NZ 2.86Å; E177-K181 WeakPolarHBondContact OE2-CD 3.01Å; E177-K181 IonicContact OE2-NZ 3.53Å; E177-K181 PolarHBondContact OE2-NZ 3.44Å; K181-R183 PolarHBondContact O-N 3.4Å; K181-H436 WeakPolarHBondContact O-CA 3.43Å; K181-M438 CarbonylContact C-O 3.59Å
182	R	98.1	Very high	97.8	Very high	26 Å²	26	47.2 Å²	47.2	10%	0.098	24%	0.236	C	C	.	.			trans	-64.6	129.4	-179.5	-175.1	177.8	-69	159.5	5.2	110.4	L180 F185 P387 M389 P390 D391 H436 N437 M438	L180-R182 PolarHBondContact O-N 3.07Å; R182-F185 VanDerWaalsContact CZ-CD2 3.44Å; R182-P387 PolarHBondContact NH2-O 2.98Å; R182-M389 VanDerWaalsContact CZ-O 3.29Å; R182-M389 PolarHBondContact NH1-O 3.11Å; R182-M389 PolarHBondContact NH2-O 3.43Å; R182-P390 VanDerWaalsContact NH1-C 3.35Å; R182-P390 PolarHBondContact NH1-O 3.32Å; R182-D391 VanDerWaalsContact CD-OD1 3.27Å; R182-D391 WeakPolarHBondContact CD-OD1 3.11Å; R182-D391 IonicContact CZ-OD1 3.73Å; R182-D391 IonicContact NE-OD1 2.71Å; R182-D391 IonicContact NH1-OD1 2.72Å; R182-D391 PolarHBondContact NH1-OD1 3.49Å; R182-H436 WeakPolarHBondContact CA-O 3.44Å; R182-N437 VanDerWaalsContact CZ-O 3.29Å; R182-N437 PolarHBondContact NE-O 3.27Å; R182-N437 PolarHBondContact NE-OD1 3.16Å; R182-N437 VanDerWaalsContact NE-OD1 3.07Å; R182-N437 PolarHBondContact NH2-O 3.01Å; R182-M438 VanDerWaalsContact CB-O 3.25Å; R182-M438 WeakPolarHBondContact CB-O 3.46Å; R182-M438 PolarHBondContact N-O 2.9Å
183	R	94.9	Very high	97.8	Very high	142 Å²	142	46.8 Å²	46.8	54%	0.536	23%	0.234	S	C	.	.	S	Bend	trans	-98.2	-47.2	167.4	-60.9	178.2	-177.2	174.3	1	110.4	K178 K181 H436 E484	K178-R183 PolarHBondContact O-NH2 3.2Å; K181-R183 PolarHBondContact O-N 3.4Å; R183-H436 PolarHBondContact NH2-NE2 3.37Å; R183-E484 IonicContact CZ-OE1 2.72Å; R183-E484 IonicContact CZ-OE2 2.75Å; R183-E484 IonicContact NH1-OE1 3.01Å; R183-E484 PolarHBondContact NH1-OE1 3.27Å; R183-E484 IonicContact NH1-OE2 3.29Å; R183-E484 PolarHBondContact NH1-OE2 3.04Å; R183-E484 IonicContact NH2-OE1 3.41Å; R183-E484 PolarHBondContact NH2-OE1 3.4Å; R183-E484 IonicContact NH2-OE2 2.98Å
184	T	96.9	Very high	97.8	Very high	113 Å²	113	43 Å²	43	69%	0.693	22%	0.216	S	C	*	.	S	Bend	trans	-136.9	138.4	175.8	-53.1	0	0	0	0	107.6	R186	T184-R186 PolarHBondContact O-N 2.92Å
185	F	98.3	Very high	97.8	Very high	53 Å²	53	39.4 Å²	39.4	23%	0.232	19%	0.194	C	C	.	.			trans	-62	119.7	176.6	-179.9	-111.2	0	0	0	110.4	R182 P187 V428 G430	R182-F185 VanDerWaalsContact CZ-CD2 3.44Å; F185-P187 HydrophobicContact CE1-CB 3.89Å; F185-P187 WeakPolarHBondContact O-CD 3.37Å; F185-V428 HydrophobicContact CE1-CG1 3.96Å; F185-V428 HydrophobicContact CZ-CG1 4.42Å; F185-G430 VanDerWaalsContact CE2-CA 3.47Å
186	R	97.8	Very high	97.9	Very high	75 Å²	75	39.4 Å²	39.4	28%	0.283	19%	0.194	S	C	.	.			trans	-101.1	105.3	172	-170.5	168.5	66.8	-127.4	-4.7	108.2	T184 G430 Q431 G433 G435 N437	T184-R186 PolarHBondContact O-N 2.92Å; R186-G430 WeakPolarHBondContact O-CA 3.44Å; R186-Q431 HydrophobicContact CG-CB 4.34Å; R186-Q431 PolarHBondContact O-N 2.89Å; R186-G433 PolarHBondContact NH2-O 2.72Å; R186-G435 PolarHBondContact NH1-O 2.9Å; R186-G435 VanDerWaalsContact NH1-O 3.14Å; R186-G435 PolarHBondContact NH2-O 3.01Å; R186-N437 PolarHBondContact N-OD1 3.03Å; R186-N437 PolarHBondContact O-ND2 3.43Å
187	P	98.3	Very high	97.9	Very high	62 Å²	62	39.6 Å²	39.6	40%	0.403	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-63.8	150.9	177	27.8	-33.9	0	0	0	110.1	F185 P189 V428	F185-P187 HydrophobicContact CE1-CB 3.89Å; F185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-P189 WeakPolarHBondContact O-CD 3.39Å; P187-V428 HydrophobicContact CB-CG1 4.08Å; P187-V428 HydrophobicContact CB-CG2 3.74Å
188	D	98.1	Very high	97.9	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.027	17%	0.173	C	C	.	.			trans	-64.5	122.4	173.8	170.3	37.8	0	0	0	110.9	Q190 G191 S192 A429 I515	D188-Q190 PolarHBondContact O-N 3.18Å; D188-Q190 PolarHBondContact OD1-N 3.37Å; D188-Q190 VanDerWaalsContact OD1-N 3.16Å; D188-Q190 WeakPolarHBondContact OD2-CB 3.25Å; D188-G191 PolarHBondContact O-N 2.94Å; D188-G191 PolarHBondContact OD2-N 3.45Å; D188-S192 WeakPolarHBondContact OD2-CA 3.43Å; D188-S192 WeakPolarHBondContact OD2-CB 3.5Å; D188-S192 PolarHBondContact OD2-N 3.22Å; D188-S192 PolarHBondContact OD2-OG 3.23Å; D188-A429 PolarHBondContact N-O 2.92Å; D188-I515 HydrophobicContact CB-CD1 4.21Å; D188-I515 HydrophobicContact CB-CG1 4.2Å; D188-I515 WeakPolarHBondContact OD1-CA 3.36Å; D188-I515 WeakPolarHBondContact OD1-CB 3.26Å; D188-I515 VanDerWaalsContact OD1-CG1 3.3Å; D188-I515 WeakPolarHBondContact OD1-CG1 3.3Å
189	P	96.9	Very high	98	Very high	69 Å²	69	31.6 Å²	31.6	45%	0.448	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	178.9	27.4	-37.6	0	0	0	114.3	P187 G191	P187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-G191 PolarHBondContact O-N 3.27Å
190	Q	95.6	Very high	98	Very high	39 Å²	39	31.8 Å²	31.8	18%	0.182	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.2	172.8	-64.1	177.2	-120.2	0	0	112.7	D188 H349 L350 G513 T514	D188-Q190 PolarHBondContact O-N 3.18Å; D188-Q190 PolarHBondContact OD1-N 3.37Å; D188-Q190 VanDerWaalsContact OD1-N 3.16Å; D188-Q190 WeakPolarHBondContact OD2-CB 3.25Å; Q190-H349 PolarHBondContact NE2-O 3.34Å; Q190-L350 PolarHBondContact NE2-O 3.49Å; Q190-L350 VanDerWaalsContact NE2-O 3.09Å; Q190-G513 VanDerWaalsContact CG-O 3.24Å; Q190-G513 WeakPolarHBondContact CG-O 3.26Å; Q190-T514 VanDerWaalsContact OE1-CA 3.3Å
191	G	97.4	Very high	98	Very high	13 Å²	13	33.4 Å²	33.4	13%	0.134	17%	0.169	C	C	.	.			trans	74.5	24.2	179.9	0	0	0	0	0	113.7	D188 P189 S579 V580	D188-G191 PolarHBondContact O-N 2.94Å; D188-G191 PolarHBondContact OD2-N 3.45Å; P189-G191 PolarHBondContact O-N 3.27Å; G191-S579 CarbonylContact O-C 3.47Å; G191-S579 WeakPolarHBondContact O-CA 3.32Å; G191-V580 PolarHBondContact O-N 2.85Å
192	S	98.6	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-53.3	143.2	171	-58	0	0	0	0	110.9	D188 H349 A429 F578	D188-S192 WeakPolarHBondContact OD2-CA 3.43Å; D188-S192 WeakPolarHBondContact OD2-CB 3.5Å; D188-S192 PolarHBondContact OD2-N 3.22Å; D188-S192 PolarHBondContact OD2-OG 3.23Å; S192-H349 WeakPolarHBondContact CA-NE2 3.37Å; S192-H349 WeakPolarHBondContact CB-NE2 3.35Å; S192-H349 PolarHBondContact OG-NE2 3.29Å; S192-A429 PolarHBondContact O-N 3.17Å; S192-F578 WeakPolarHBondContact CA-O 3.45Å
193	N	98.7	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-116.9	179.1	-178.8	65.4	22.2	0	0	0	112.6	M195 F196 A197 F424 S425 Q427 A577 F578 S579 V580	N193-M195 VanDerWaalsContact C-N 3.26Å; N193-M195 PolarHBondContact O-N 3.09Å; N193-M195 WeakPolarHBondContact OD1-CA 3.46Å; N193-M195 VanDerWaalsContact OD1-CB 3.29Å; N193-M195 WeakPolarHBondContact OD1-CB 3.17Å; N193-M195 PolarHBondContact OD1-N 3.34Å; N193-M195 VanDerWaalsContact OD1-N 3.1Å; N193-F196 WeakPolarHBondContact O-CB 3.4Å; N193-F196 PolarHBondContact O-N 3.31Å; N193-F196 PolarHBondContact OD1-N 3.23Å; N193-A197 PolarHBondContact O-N 3.35Å; N193-A197 VanDerWaalsContact O-N 3.07Å; N193-F424 WeakPolarHBondContact CB-O 3.42Å; N193-S425 VanDerWaalsContact ND2-CA 3.33Å; N193-S425 WeakPolarHBondContact ND2-CA 3.49Å; N193-S425 PolarHBondContact ND2-O 3.46Å; N193-Q427 CarbonylContact C-O 3.45Å; N193-Q427 WeakPolarHBondContact CA-O 3.22Å; N193-Q427 VanDerWaalsContact CB-O 3.27Å; N193-Q427 WeakPolarHBondContact CB-O 3.38Å; N193-A577 PolarHBondContact ND2-O 3.17Å; N193-A577 PolarHBondContact OD1-O 3.33Å; N193-F578 PolarHBondContact N-O 2.8Å; N193-F578 VanDerWaalsContact N-O 3.16Å; N193-F578 VanDerWaalsContact ND2-C 3.31Å; N193-F578 PolarHBondContact OD1-O 3.37Å; N193-S579 VanDerWaalsContact ND2-C 3.32Å; N193-S579 PolarHBondContact ND2-N 3.46Å; N193-S579 PolarHBondContact ND2-O 3.01Å; N193-S579 VanDerWaalsContact ND2-O 3.17Å; N193-V580 HydrophobicContact CB-CG1 3.88Å
194	M	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-24.6	177.9	-68.1	-51.9	-59	0	0	113.3	F196 A197 F198 M389 P390 F393 F424 Q427 A429	M194-F196 VanDerWaalsContact C-N 3.31Å; M194-A197 HydrophobicContact CE-CB 4.01Å; M194-A197 PolarHBondContact O-N 2.92Å; M194-A197 HydrophobicContact SD-CB 4.17Å; M194-F198 HydrophobicContact CB-CD2 4.34Å; M194-F198 HydrophobicContact CB-CE2 4.21Å; M194-F198 HydrophobicContact CE-CD2 4.2Å; M194-F198 HydrophobicContact CE-CE1 4.27Å; M194-F198 HydrophobicContact CE-CE2 3.61Å; M194-F198 HydrophobicContact CE-CZ 3.64Å; M194-F198 WeakPolarHBondContact O-CD2 3.38Å; M194-F198 PolarHBondContact O-N 3.08Å; M194-M389 HydrophobicContact CE-CE 4.32Å; M194-M389 HydrophobicContact CE-SD 4.13Å; M194-P390 HydrophobicContact CE-CG 4.15Å; M194-P390 HydrophobicContact SD-CB 4.49Å; M194-P390 VanDerWaalsContact SD-CD 3.53Å; M194-P390 HydrophobicContact SD-CG 3.89Å; M194-F393 HydrophobicContact CE-CD1 4.45Å; M194-F393 HydrophobicContact CE-CE1 4.03Å; M194-F424 CarbonylContact C-O 3.56Å; M194-F424 WeakPolarHBondContact CA-O 3.41Å; M194-F424 HydrophobicContact CB-CB 3.85Å; M194-F424 HydrophobicContact CB-CD1 4Å; M194-F424 HydrophobicContact CB-CG 4.17Å; M194-F424 WeakPolarHBondContact CB-O 3.38Å; M194-F424 PolarHBondContact N-O 3.45Å; M194-Q427 HydrophobicContact CB-CB 4.49Å; M194-Q427 HydrophobicContact CG-CB 3.92Å; M194-Q427 HydrophobicContact CG-CG 3.85Å; M194-Q427 PolarHBondContact N-O 3.23Å; M194-A429 HydrophobicContact SD-CB 4.26Å
195	M	98.8	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-41.4	172.3	-166.6	59.8	177.9	0	0	110.3	N193 F199 L298 Y299 L302 V421 F424 L562 V566 V576	N193-M195 VanDerWaalsContact C-N 3.26Å; N193-M195 PolarHBondContact O-N 3.09Å; N193-M195 WeakPolarHBondContact OD1-CA 3.46Å; N193-M195 VanDerWaalsContact OD1-CB 3.29Å; N193-M195 WeakPolarHBondContact OD1-CB 3.17Å; N193-M195 PolarHBondContact OD1-N 3.34Å; N193-M195 VanDerWaalsContact OD1-N 3.1Å; M195-F199 VanDerWaalsContact O-CB 3.3Å; M195-F199 WeakPolarHBondContact O-CB 3.35Å; M195-F199 PolarHBondContact O-N 3.45Å; M195-L298 HydrophobicContact SD-CD2 4.47Å; M195-Y299 HydrophobicContact CE-CE1 3.65Å; M195-Y299 HydrophobicContact CE-CE2 4.25Å; M195-Y299 VanDerWaalsContact CE-CZ 3.42Å; M195-Y299 WeakPolarHBondContact CE-OH 3.26Å; M195-Y299 VanDerWaalsContact CG-OH 3.28Å; M195-Y299 WeakPolarHBondContact CG-OH 3.43Å; M195-Y299 PolarHBondContact O-OH 3.36Å; M195-Y299 HydrophobicContact SD-CE1 4.45Å; M195-Y299 HydrophobicContact SD-CE2 4.01Å; M195-Y299 PolarHBondContact SD-OH 3.05Å; M195-L302 HydrophobicContact CE-CD1 4.23Å; M195-V421 HydrophobicContact CE-CG1 4.21Å; M195-V421 HydrophobicContact CE-CG2 4.08Å; M195-V421 HydrophobicContact SD-CG1 4.49Å; M195-F424 HydrophobicContact CB-CB 4.29Å; M195-F424 PolarHBondContact N-O 3.1Å; M195-L562 HydrophobicContact CE-CD1 4.21Å; M195-L562 HydrophobicContact CG-CD2 4.45Å; M195-V566 HydrophobicContact CE-CG2 4.03Å; M195-V576 HydrophobicContact CE-CG2 4.28Å
196	F	98.9	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-47.2	171.1	173.3	-90.6	0	0	0	112.1	N193 M194 F198 F199 A200 Y346 H349 L350 W385 L388 F578	N193-F196 WeakPolarHBondContact O-CB 3.4Å; N193-F196 PolarHBondContact O-N 3.31Å; N193-F196 PolarHBondContact OD1-N 3.23Å; M194-F196 VanDerWaalsContact C-N 3.31Å; F196-F198 PolarHBondContact O-N 2.97Å; F196-F199 WeakPolarHBondContact O-CB 3.39Å; F196-F199 PolarHBondContact O-N 3.48Å; F196-A200 WeakPolarHBondContact O-CB 3.37Å; F196-A200 PolarHBondContact O-N 2.93Å; F196-Y346 AromaticContact CD2-CD2 3.53Å; F196-Y346 HydrophobicContact CD2-CD2 3.53Å; F196-Y346 AromaticContact CD2-CE2 3.54Å; F196-Y346 HydrophobicContact CD2-CE2 3.54Å; F196-Y346 HydrophobicContact CE1-CE2 4.3Å; F196-Y346 AromaticContact CE2-CD2 3.29Å; F196-Y346 HydrophobicContact CE2-CD2 3.29Å; F196-Y346 AromaticContact CE2-CE2 3.07Å; F196-Y346 HydrophobicContact CE2-CE2 3.07Å; F196-Y346 HydrophobicContact CE2-CG 4.12Å; F196-Y346 AromaticContact CE2-CZ 3.76Å; F196-Y346 HydrophobicContact CG-CE2 4.32Å; F196-Y346 HydrophobicContact CZ-CD2 4.18Å; F196-Y346 AromaticContact CZ-CE2 3.5Å; F196-Y346 HydrophobicContact CZ-CE2 3.5Å; F196-Y346 AromaticContact CZ-CZ 3.83Å; F196-H349 AromaticContact CD2-CD2 3.59Å; F196-H349 AromaticContact CE2-CD2 3.75Å; F196-L350 HydrophobicContact CE2-CB 4.26Å; F196-L350 HydrophobicContact CE2-CD1 4.5Å; F196-L350 HydrophobicContact CZ-CB 4.28Å; F196-L350 HydrophobicContact CZ-CD1 3.71Å; F196-L350 HydrophobicContact CZ-CG 4.44Å; F196-W385 HydrophobicContact CZ-CZ3 4.33Å; F196-L388 HydrophobicContact CD1-CD2 4.29Å; F196-L388 HydrophobicContact CE1-CD1 4.21Å; F196-L388 HydrophobicContact CE1-CD2 4.17Å; F196-F578 HydrophobicContact CB-CB 3.99Å; F196-F578 HydrophobicContact CB-CD1 3.79Å; F196-F578 HydrophobicContact CB-CG 4.19Å; F196-F578 HydrophobicContact CD2-CB 4.04Å; F196-F578 HydrophobicContact CD2-CD1 4.27Å; F196-F578 HydrophobicContact CD2-CG 4.1Å; F196-F578 HydrophobicContact CG-CB 4.49Å
197	A	98.8	Very high	98.4	Very high	5 Å²	5	14.9 Å²	14.9	4%	0.041	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-46	-178.6	0	0	0	0	0	112.5	N193 M194 A200 Q201 L388 A429	N193-A197 PolarHBondContact O-N 3.35Å; N193-A197 VanDerWaalsContact O-N 3.07Å; M194-A197 HydrophobicContact CE-CB 4.01Å; M194-A197 PolarHBondContact O-N 2.92Å; M194-A197 HydrophobicContact SD-CB 4.17Å; A197-A200 WeakPolarHBondContact O-CB 3.17Å; A197-A200 PolarHBondContact O-N 2.94Å; A197-Q201 PolarHBondContact O-N 2.96Å; A197-Q201 VanDerWaalsContact O-N 3.08Å; A197-L388 HydrophobicContact CB-CB 3.93Å; A197-L388 HydrophobicContact CB-CD1 4.2Å; A197-A429 HydrophobicContact CB-CB 4.49Å
198	F	98.9	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-72.4	-29.7	176.9	-68	-52.6	0	0	0	112.7	M194 F196 Q201 H202 L293 Y299 M389 F393 F405 F424	M194-F198 HydrophobicContact CB-CD2 4.34Å; M194-F198 HydrophobicContact CB-CE2 4.21Å; M194-F198 HydrophobicContact CE-CD2 4.2Å; M194-F198 HydrophobicContact CE-CE1 4.27Å; M194-F198 HydrophobicContact CE-CE2 3.61Å; M194-F198 HydrophobicContact CE-CZ 3.64Å; M194-F198 WeakPolarHBondContact O-CD2 3.38Å; M194-F198 PolarHBondContact O-N 3.08Å; F196-F198 PolarHBondContact O-N 2.97Å; F198-Q201 PolarHBondContact O-N 3.44Å; F198-H202 WeakPolarHBondContact O-CB 3.1Å; F198-H202 PolarHBondContact O-N 3.21Å; F198-L293 HydrophobicContact CE1-CD1 4.24Å; F198-Y299 HydrophobicContact CB-CD2 4.04Å; F198-Y299 HydrophobicContact CB-CE2 3.81Å; F198-M389 HydrophobicContact CE1-CE 4.12Å; F198-M389 HydrophobicContact CE1-SD 4.4Å; F198-M389 HydrophobicContact CZ-CE 4.35Å; F198-F393 HydrophobicContact CZ-CD1 4.23Å; F198-F393 AromaticContact CZ-CE1 3.8Å; F198-F393 HydrophobicContact CZ-CE1 3.8Å; F198-F405 HydrophobicContact CE1-CE1 4.16Å; F198-F405 HydrophobicContact CE2-CZ 4.21Å; F198-F405 AromaticContact CZ-CE1 3.61Å; F198-F405 HydrophobicContact CZ-CE1 3.61Å; F198-F405 AromaticContact CZ-CZ 3.71Å; F198-F405 HydrophobicContact CZ-CZ 3.71Å; F198-F424 HydrophobicContact CD2-CD1 4.38Å; F198-F424 AromaticContact CD2-CD2 3.87Å; F198-F424 HydrophobicContact CD2-CD2 3.87Å; F198-F424 HydrophobicContact CD2-CE1 4.49Å; F198-F424 AromaticContact CD2-CE2 3.99Å; F198-F424 HydrophobicContact CD2-CE2 3.99Å; F198-F424 HydrophobicContact CD2-CG 4.09Å; F198-F424 HydrophobicContact CD2-CZ 4.31Å; F198-F424 AromaticContact CE2-CD1 3.91Å; F198-F424 HydrophobicContact CE2-CD1 3.91Å; F198-F424 HydrophobicContact CE2-CD2 4.06Å; F198-F424 AromaticContact CE2-CE1 3.74Å; F198-F424 HydrophobicContact CE2-CE1 3.74Å; F198-F424 AromaticContact CE2-CE2 3.89Å; F198-F424 HydrophobicContact CE2-CE2 3.89Å; F198-F424 HydrophobicContact CE2-CG 4.08Å; F198-F424 AromaticContact CE2-CZ 3.73Å; F198-F424 HydrophobicContact CE2-CZ 3.73Å
199	F	98.9	Very high	98.4	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-50.2	171.4	-171.9	-93.5	0	0	0	110.6	M195 F196 Q201 H202 F203 Y299 I341 V342 Y346 F578	M195-F199 VanDerWaalsContact O-CB 3.3Å; M195-F199 WeakPolarHBondContact O-CB 3.35Å; M195-F199 PolarHBondContact O-N 3.45Å; F196-F199 WeakPolarHBondContact O-CB 3.39Å; F196-F199 PolarHBondContact O-N 3.48Å; F199-Q201 VanDerWaalsContact C-N 3.29Å; F199-Q201 PolarHBondContact O-N 3.41Å; F199-H202 PolarHBondContact O-N 2.99Å; F199-F203 HydrophobicContact CD1-CB 4.36Å; F199-F203 HydrophobicContact CE1-CB 4.22Å; F199-F203 HydrophobicContact CE1-CG 4.46Å; F199-F203 WeakPolarHBondContact O-CB 3.36Å; F199-F203 PolarHBondContact O-N 2.89Å; F199-Y299 HydrophobicContact CB-CE1 4.39Å; F199-Y299 HydrophobicContact CB-CE2 3.98Å; F199-Y299 WeakPolarHBondContact CB-OH 3.2Å; F199-Y299 HydrophobicContact CD2-CD1 4.28Å; F199-Y299 AromaticContact CD2-CE1 3.58Å; F199-Y299 HydrophobicContact CD2-CE1 3.58Å; F199-Y299 AromaticContact CD2-CZ 3.76Å; F199-Y299 HydrophobicContact CE2-CE1 4.43Å; F199-Y299 HydrophobicContact CG-CE1 4.46Å; F199-I341 HydrophobicContact CE2-CG2 4.08Å; F199-I341 HydrophobicContact CZ-CG2 3.9Å; F199-V342 HydrophobicContact CE1-CG2 3.79Å; F199-V342 HydrophobicContact CZ-CG2 3.89Å; F199-Y346 AromaticContact CD1-CD2 3.44Å; F199-Y346 HydrophobicContact CD1-CD2 3.44Å; F199-Y346 VanDerWaalsContact CD1-CD2 3.44Å; F199-Y346 AromaticContact CD1-CE2 3.87Å; F199-Y346 HydrophobicContact CD1-CE2 3.87Å; F199-Y346 HydrophobicContact CD1-CG 4Å; F199-Y346 AromaticContact CE1-CD2 3.9Å; F199-Y346 HydrophobicContact CE1-CD2 3.9Å; F199-Y346 AromaticContact CE1-CG 3.97Å; F199-Y346 HydrophobicContact CE1-CG 3.97Å; F199-Y346 HydrophobicContact CG-CD2 4.43Å; F199-F578 HydrophobicContact CB-CE1 3.64Å; F199-F578 HydrophobicContact CB-CZ 4.07Å; F199-F578 HydrophobicContact CD1-CE1 4.28Å; F199-F578 AromaticContact CD1-CZ 3.87Å; F199-F578 HydrophobicContact CD1-CZ 3.87Å; F199-F578 AromaticContact CD2-CE1 3.99Å; F199-F578 HydrophobicContact CD2-CE1 3.99Å; F199-F578 AromaticContact CD2-CZ 3.71Å; F199-F578 HydrophobicContact CD2-CZ 3.71Å; F199-F578 HydrophobicContact CE1-CZ 4.2Å; F199-F578 HydrophobicContact CE2-CZ 4.06Å; F199-F578 AromaticContact CG-CE1 3.72Å; F199-F578 HydrophobicContact CG-CE1 3.72Å; F199-F578 AromaticContact CG-CZ 3.61Å; F199-F578 HydrophobicContact CG-CZ 3.61Å; F199-F578 HydrophobicContact CZ-CZ 4.29Å
200	A	98.7	Very high	98.3	Very high	5 Å²	5	12.6 Å²	12.6	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-54	-48.9	177.7	0	0	0	0	0	110.7	F196 A197 T204 Y346 Y383	F196-A200 WeakPolarHBondContact O-CB 3.37Å; F196-A200 PolarHBondContact O-N 2.93Å; A197-A200 WeakPolarHBondContact O-CB 3.17Å; A197-A200 PolarHBondContact O-N 2.94Å; A200-T204 WeakPolarHBondContact O-CB 3.27Å; A200-T204 WeakPolarHBondContact O-CG2 3.48Å; A200-T204 PolarHBondContact O-N 2.9Å; A200-T204 PolarHBondContact O-OG1 3.24Å; A200-Y346 HydrophobicContact CB-CE2 3.85Å; A200-Y346 WeakPolarHBondContact CB-OH 3.26Å; A200-Y383 HydrophobicContact CB-CE1 4.36Å
201	Q	98.8	Very high	98.3	Very high	37 Å²	37	14.5 Å²	14.5	17%	0.173	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-49.6	179.9	-164.7	-177.4	10.4	0	0	112.1	A197 F198 F199 T204 H205 L293 L296	A197-Q201 PolarHBondContact O-N 2.96Å; A197-Q201 VanDerWaalsContact O-N 3.08Å; F198-Q201 PolarHBondContact O-N 3.44Å; F199-Q201 VanDerWaalsContact C-N 3.29Å; F199-Q201 PolarHBondContact O-N 3.41Å; Q201-T204 PolarHBondContact O-OG1 3.23Å; Q201-H205 WeakPolarHBondContact O-CB 3.24Å; Q201-H205 VanDerWaalsContact O-CG 3.27Å; Q201-H205 PolarHBondContact O-N 2.74Å; Q201-H205 PolarHBondContact O-ND1 3.13Å; Q201-L293 VanDerWaalsContact OE1-CD1 3.24Å; Q201-L296 HydrophobicContact CB-CD2 3.93Å; Q201-L296 HydrophobicContact CG-CD2 3.83Å
202	H	98.9	Very high	98	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-49.6	179.3	179	-88	0	0	0	112	F198 F199 H230 F290 L296 Y299 A300 W303	F198-H202 WeakPolarHBondContact O-CB 3.1Å; F198-H202 PolarHBondContact O-N 3.21Å; F199-H202 PolarHBondContact O-N 2.99Å; H202-H230 AromaticContact CE1-CD2 3.02Å; H202-H230 PolarHBondContact CE1-CD2 2.52Å; H202-H230 AromaticContact CE1-NE2 3.09Å; H202-H230 PolarHBondContact CE1-NE2 3.42Å; H202-H230 AromaticContact ND1-CD2 3.32Å; H202-H230 PolarHBondContact ND1-CD2 2.8Å; H202-H230 VanDerWaalsContact ND1-CD2 3.32Å; H202-H230 AromaticContact ND1-NE2 3.32Å; H202-H230 PolarHBondContact ND1-NE2 2.64Å; H202-H230 AromaticContact NE2-CD2 3.56Å; H202-H230 PolarHBondContact O-CD2 3.03Å; H202-F290 AromaticContact CD2-CD2 3.8Å; H202-F290 AromaticContact CD2-CE2 3.21Å; H202-F290 WeakPolarHBondContact CD2-CE2 3.17Å; H202-F290 AromaticContact CD2-CZ 3.79Å; H202-F290 AromaticContact NE2-CE2 3.47Å; H202-F290 WeakPolarHBondContact NE2-CE2 3.46Å; H202-L296 HydrophobicContact CB-CD2 3.94Å; H202-Y299 HydrophobicContact CB-CD2 4.32Å; H202-Y299 HydrophobicContact CB-CG 4.3Å; H202-Y299 WeakPolarHBondContact CD2-CB 3.44Å; H202-Y299 VanDerWaalsContact CG-CB 3.5Å; H202-A300 PolarHBondContact NE2-N 2.79Å; H202-W303 AromaticContact CE1-CD1 3.31Å; H202-W303 AromaticContact CE1-NE1 3.76Å
203	F	98.8	Very high	97.6	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-46.9	-178.8	170.8	-109.4	0	0	0	112	F199 Q206 F207 V226 T338 V342 L532	F199-F203 HydrophobicContact CD1-CB 4.36Å; F199-F203 HydrophobicContact CE1-CB 4.22Å; F199-F203 HydrophobicContact CE1-CG 4.46Å; F199-F203 WeakPolarHBondContact O-CB 3.36Å; F199-F203 PolarHBondContact O-N 2.89Å; F203-Q206 VanDerWaalsContact CE2-NE2 3.34Å; F203-Q206 VanDerWaalsContact O-CG 3.23Å; F203-Q206 WeakPolarHBondContact O-CG 3.36Å; F203-Q206 PolarHBondContact O-NE2 3.45Å; F203-F207 HydrophobicContact CD1-CE1 4.19Å; F203-F207 HydrophobicContact CD1-CZ 4.14Å; F203-F207 AromaticContact CE1-CE1 3.7Å; F203-F207 HydrophobicContact CE1-CE1 3.7Å; F203-F207 AromaticContact CE1-CZ 3.71Å; F203-F207 HydrophobicContact CE1-CZ 3.71Å; F203-F207 HydrophobicContact CE2-CE1 4.2Å; F203-F207 AromaticContact CZ-CE1 3.7Å; F203-F207 HydrophobicContact CZ-CE1 3.7Å; F203-F207 HydrophobicContact CZ-CZ 4.17Å; F203-V226 HydrophobicContact CE2-CG1 4.25Å; F203-V226 HydrophobicContact CE2-CG2 3.71Å; F203-V226 HydrophobicContact CZ-CG2 3.81Å; F203-T338 HydrophobicContact CD2-CG2 3.77Å; F203-T338 HydrophobicContact CE2-CG2 3.77Å; F203-V342 HydrophobicContact CD1-CG2 4.4Å; F203-V342 HydrophobicContact CD2-CG2 3.84Å; F203-V342 HydrophobicContact CE1-CG1 4.27Å; F203-V342 HydrophobicContact CE1-CG2 4.19Å; F203-V342 HydrophobicContact CE2-CG2 3.61Å; F203-V342 HydrophobicContact CG-CG2 4.25Å; F203-V342 HydrophobicContact CZ-CG1 4.19Å; F203-V342 HydrophobicContact CZ-CG2 3.8Å; F203-L532 HydrophobicContact CZ-CD2 4.05Å
204	T	98.7	Very high	97.3	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-73.5	-30.3	-174.6	54.6	0	0	0	0	113.9	A200 Q201 Q206 F207 F208 Y383	A200-T204 WeakPolarHBondContact O-CB 3.27Å; A200-T204 WeakPolarHBondContact O-CG2 3.48Å; A200-T204 PolarHBondContact O-N 2.9Å; A200-T204 PolarHBondContact O-OG1 3.24Å; Q201-T204 PolarHBondContact O-OG1 3.23Å; T204-Q206 PolarHBondContact O-N 2.95Å; T204-F207 HydrophobicContact CG2-CE2 4.09Å; T204-F207 HydrophobicContact CG2-CZ 3.88Å; T204-F207 WeakPolarHBondContact O-CD2 3.33Å; T204-F207 PolarHBondContact O-N 3.22Å; T204-F208 HydrophobicContact CG2-CD2 4.35Å; T204-F208 HydrophobicContact CG2-CE2 4.05Å; T204-F208 PolarHBondContact O-N 3.23Å; T204-Y383 HydrophobicContact CG2-CD1 3.62Å; T204-Y383 HydrophobicContact CG2-CD2 3.91Å; T204-Y383 HydrophobicContact CG2-CE1 3.39Å; T204-Y383 HydrophobicContact CG2-CE2 3.69Å; T204-Y383 HydrophobicContact CG2-CG 3.86Å; T204-Y383 VanDerWaalsContact CG2-CZ 3.41Å
205	H	98.5	Very high	97	Very high	51 Å²	51	31.1 Å²	31.1	24%	0.236	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-0.4	-179.4	-79.2	50.6	0	0	0	114.1	Q201 K209 Q287 F290	Q201-H205 WeakPolarHBondContact O-CB 3.24Å; Q201-H205 VanDerWaalsContact O-CG 3.27Å; Q201-H205 PolarHBondContact O-N 2.74Å; Q201-H205 PolarHBondContact O-ND1 3.13Å; H205-K209 WeakPolarHBondContact O-CG 3.35Å; H205-Q287 HydrophobicContact CB-CG 4.47Å; H205-Q287 PolarHBondContact O-NE2 3.01Å; H205-F290 HydrophobicContact CB-CE1 3.59Å; H205-F290 HydrophobicContact CB-CZ 3.95Å
206	Q	98.5	Very high	96.8	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.6	166.4	87.2	-172.2	-73.4	0	0	112.4	F203 T204 A221 H230	F203-Q206 VanDerWaalsContact CE2-NE2 3.34Å; F203-Q206 VanDerWaalsContact O-CG 3.23Å; F203-Q206 WeakPolarHBondContact O-CG 3.36Å; F203-Q206 PolarHBondContact O-NE2 3.45Å; T204-Q206 PolarHBondContact O-N 2.95Å; Q206-A221 VanDerWaalsContact O-CB 3.28Å; Q206-A221 WeakPolarHBondContact O-CB 3.42Å; Q206-H230 HydrophobicContact CB-CB 3.62Å; Q206-H230 VanDerWaalsContact CB-CG 3.45Å; Q206-H230 WeakPolarHBondContact CB-ND1 3.42Å; Q206-H230 PolarHBondContact OE1-CE1 3.41Å; Q206-H230 PolarHBondContact OE1-ND1 3.45Å
207	F	98.3	Very high	96.7	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.035	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-14.5	-176.1	52.6	-111	0	0	0	114.3	F203 T204 I375 F379	F203-F207 HydrophobicContact CD1-CE1 4.19Å; F203-F207 HydrophobicContact CD1-CZ 4.14Å; F203-F207 AromaticContact CE1-CE1 3.7Å; F203-F207 HydrophobicContact CE1-CE1 3.7Å; F203-F207 AromaticContact CE1-CZ 3.71Å; F203-F207 HydrophobicContact CE1-CZ 3.71Å; F203-F207 HydrophobicContact CE2-CE1 4.2Å; F203-F207 AromaticContact CZ-CE1 3.7Å; F203-F207 HydrophobicContact CZ-CE1 3.7Å; F203-F207 HydrophobicContact CZ-CZ 4.17Å; T204-F207 HydrophobicContact CG2-CE2 4.09Å; T204-F207 HydrophobicContact CG2-CZ 3.88Å; T204-F207 WeakPolarHBondContact O-CD2 3.33Å; T204-F207 PolarHBondContact O-N 3.22Å; F207-I375 HydrophobicContact CB-CD1 3.95Å; F207-I375 HydrophobicContact CB-CG1 3.99Å; F207-I375 HydrophobicContact CD2-CD1 3.77Å; F207-I375 HydrophobicContact CD2-CG1 4.46Å; F207-I375 HydrophobicContact CE2-CD1 4.48Å; F207-I375 HydrophobicContact CG-CD1 3.93Å; F207-I375 HydrophobicContact CG-CG1 4.49Å; F207-F379 HydrophobicContact CE2-CE1 4Å
208	F	98.4	Very high	96.7	Very high	23 Å²	23	34.3 Å²	34.3	10%	0.101	17%	0.165	C	C	.	.			trans	-97.5	89.6	165.2	-58.3	-41.2	0	0	0	110.7	Y146 T204 I375 F379 Y383	Y146-F208 WeakPolarHBondContact OH-CA 3.31Å; T204-F208 HydrophobicContact CG2-CD2 4.35Å; T204-F208 HydrophobicContact CG2-CE2 4.05Å; T204-F208 PolarHBondContact O-N 3.23Å; F208-I375 HydrophobicContact CD1-CG2 3.77Å; F208-I375 HydrophobicContact CE1-CG2 3.45Å; F208-I375 VanDerWaalsContact CE1-CG2 3.45Å; F208-F379 HydrophobicContact CE1-CB 4.46Å; F208-F379 AromaticContact CE1-CD1 3.82Å; F208-F379 HydrophobicContact CE1-CD1 3.82Å; F208-F379 HydrophobicContact CE1-CE1 4.38Å; F208-F379 HydrophobicContact CE1-CG 4.25Å; F208-F379 HydrophobicContact CZ-CB 4.41Å; F208-F379 AromaticContact CZ-CD1 3.51Å; F208-F379 HydrophobicContact CZ-CD1 3.51Å; F208-F379 HydrophobicContact CZ-CD2 4.37Å; F208-F379 AromaticContact CZ-CE1 3.76Å; F208-F379 HydrophobicContact CZ-CE1 3.76Å; F208-F379 AromaticContact CZ-CG 3.83Å; F208-F379 HydrophobicContact CZ-CG 3.83Å; F208-F379 HydrophobicContact CZ-CZ 4.3Å; F208-F379 WeakPolarHBondContact CZ-O 3.27Å; F208-Y383 VanDerWaalsContact CE2-CB 3.44Å; F208-Y383 AromaticContact CE2-CD2 3.82Å; F208-Y383 HydrophobicContact CE2-CD2 3.82Å; F208-Y383 AromaticContact CE2-CG 3.79Å; F208-Y383 HydrophobicContact CE2-CG 3.79Å; F208-Y383 HydrophobicContact CZ-CD2 4.19Å; F208-Y383 HydrophobicContact CZ-CG 4.48Å
209	K	97.9	Very high	96.6	Very high	16 Å²	16	34.4 Å²	34.4	7%	0.07	17%	0.166	C	C	.	.			trans	-128.9	65.2	178.2	-60.4	-171.6	74.2	178.8	0	110.1	Y146 H205 Y211 T219 K220 A221 D234 E288	Y146-K209 PolarHBondContact OH-N 3.43Å; Y146-K209 VanDerWaalsContact OH-N 3.13Å; H205-K209 WeakPolarHBondContact O-CG 3.35Å; K209-Y211 PolarHBondContact O-N 2.95Å; K209-T219 CarbonylContact O-C 3.54Å; K209-T219 WeakPolarHBondContact O-CA 3.3Å; K209-T219 PolarHBondContact O-OG1 2.97Å; K209-K220 HydrophobicContact CB-CB 4.19Å; K209-K220 PolarHBondContact O-N 3.32Å; K209-A221 HydrophobicContact CB-CB 4.01Å; K209-A221 HydrophobicContact CD-CB 3.98Å; K209-A221 HydrophobicContact CG-CB 3.96Å; K209-D234 IonicContact NZ-OD2 2.67Å; K209-D234 PolarHBondContact NZ-OD2 3.33Å; K209-E288 WeakPolarHBondContact CE-OE2 3.4Å; K209-E288 IonicContact NZ-OE2 3.44Å; K209-E288 PolarHBondContact NZ-OE2 3.17Å
210	T	96.4	Very high	96.5	Very high	49 Å²	49	37.2 Å²	37.2	30%	0.301	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-55.6	126.7	-176.5	-54.1	0	0	0	0	111.3	Y146 N212 F218	Y146-T210 HydrophobicContact CE2-CG2 4.45Å; Y146-T210 PolarHBondContact OH-N 2.94Å; Y146-T210 PolarHBondContact OH-OG1 3.38Å; T210-N212 VanDerWaalsContact CG2-OD1 3.24Å; T210-N212 WeakPolarHBondContact CG2-OD1 3.37Å; T210-F218 CarbonylContact C-O 3.54Å; T210-F218 VanDerWaalsContact CA-O 3.32Å; T210-F218 WeakPolarHBondContact CA-O 3.12Å
211	Y	95	Very high	96.5	Very high	79 Å²	79	37.3 Å²	37.3	31%	0.31	18%	0.179	S	C	.	.			trans	-106.1	68.8	-173.2	-168.7	-130	0	0	0	112.2	K209 R213 M214 F218	K209-Y211 PolarHBondContact O-N 2.95Å; Y211-R213 HydrophobicContact CD2-CB 4.36Å; Y211-R213 HydrophobicContact CE1-CB 4.3Å; Y211-R213 HydrophobicContact CE2-CB 3.8Å; Y211-R213 HydrophobicContact CE2-CG 4.1Å; Y211-R213 PolarHBondContact O-N 2.9Å; Y211-M214 HydrophobicContact CD1-CB 3.54Å; Y211-M214 HydrophobicContact CD1-CE 4.15Å; Y211-M214 HydrophobicContact CE1-CB 3.88Å; Y211-M214 HydrophobicContact CE1-CE 4.08Å; Y211-M214 HydrophobicContact CG-CB 4.5Å; Y211-M214 PolarHBondContact O-N 3.05Å; Y211-F218 PolarHBondContact N-O 3.46Å
212	N	90.1	Very high	96.4	Very high	64 Å²	64	39.6 Å²	39.6	34%	0.342	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.4	-176.4	-70.4	-22.6	0	0	0	115.1	T210 M214 G215 L216	T210-N212 VanDerWaalsContact CG2-OD1 3.24Å; T210-N212 WeakPolarHBondContact CG2-OD1 3.37Å; N212-M214 VanDerWaalsContact C-N 3.29Å; N212-G215 PolarHBondContact O-N 3Å; N212-L216 WeakPolarHBondContact OD1-CD2 3.24Å
213	R	91.9	Very high	96.3	Very high	175 Å²	175	43.2 Å²	43.2	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.4	171.6	-66.7	-172.6	-177.8	170	4.2	112.9	Y211	Y211-R213 HydrophobicContact CD2-CB 4.36Å; Y211-R213 HydrophobicContact CE1-CB 4.3Å; Y211-R213 HydrophobicContact CE2-CB 3.8Å; Y211-R213 HydrophobicContact CE2-CG 4.1Å; Y211-R213 PolarHBondContact O-N 2.9Å
214	M	92.1	Very high	96.3	Very high	96 Å²	96	43 Å²	43	47%	0.473	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-21.5	175.1	-173.2	174.5	-72	0	0	111.9	Y211 N212 F218	Y211-M214 HydrophobicContact CD1-CB 3.54Å; Y211-M214 HydrophobicContact CD1-CE 4.15Å; Y211-M214 HydrophobicContact CE1-CB 3.88Å; Y211-M214 HydrophobicContact CE1-CE 4.08Å; Y211-M214 HydrophobicContact CG-CB 4.5Å; Y211-M214 PolarHBondContact O-N 3.05Å; N212-M214 VanDerWaalsContact C-N 3.29Å; M214-F218 HydrophobicContact CB-CB 4.26Å; M214-F218 HydrophobicContact CB-CD2 4.29Å; M214-F218 HydrophobicContact CB-CG 4.14Å; M214-F218 HydrophobicContact CG-CB 4.42Å; M214-F218 HydrophobicContact CG-CD1 3.84Å; M214-F218 HydrophobicContact CG-CD2 4Å; M214-F218 HydrophobicContact CG-CE1 3.98Å; M214-F218 HydrophobicContact CG-CE2 4.14Å; M214-F218 HydrophobicContact CG-CG 3.83Å; M214-F218 HydrophobicContact CG-CZ 4.11Å; M214-F218 HydrophobicContact SD-CB 4.26Å; M214-F218 HydrophobicContact SD-CD1 3.27Å; M214-F218 WeakPolarHBondContact SD-CD1 3.36Å; M214-F218 HydrophobicContact SD-CD2 4.5Å; M214-F218 HydrophobicContact SD-CE1 3.56Å; M214-F218 VanDerWaalsContact SD-CE1 3.56Å; M214-F218 HydrophobicContact SD-CG 3.77Å; M214-F218 HydrophobicContact SD-CZ 4.29Å
215	G	92.9	Very high	96.3	Very high	27 Å²	27	43.2 Å²	43.2	28%	0.278	22%	0.219	S	C	.	.			trans	132.3	178.5	-177	0	0	0	0	0	111.2	N212	N212-G215 PolarHBondContact O-N 3Å
216	L	94.6	Very high	96.3	Very high	45 Å²	45	40.9 Å²	40.9	24%	0.236	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	151.2	173.7	-62.7	-175.5	0	0	0	111.5	N212 F218 E452 E455 L456	N212-L216 WeakPolarHBondContact OD1-CD2 3.24Å; L216-F218 VanDerWaalsContact C-N 3.26Å; L216-F218 WeakPolarHBondContact O-CD2 3.38Å; L216-F218 PolarHBondContact O-N 3.47Å; L216-E452 HydrophobicContact CD1-CG 4.25Å; L216-E452 HydrophobicContact CD2-CG 4.17Å; L216-E455 HydrophobicContact CD1-CB 3.55Å; L216-E455 HydrophobicContact CD1-CG 4.22Å; L216-E455 WeakPolarHBondContact CD1-OE2 3.49Å; L216-L456 HydrophobicContact CB-CD1 4.16Å; L216-L456 HydrophobicContact CB-CD2 3.59Å; L216-L456 HydrophobicContact CB-CG 3.99Å; L216-L456 HydrophobicContact CD1-CG 4.39Å
217	G	95.6	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	3.1	-180	0	0	0	0	0	115.3	Y146	Y146-G217 PolarHBondContact N-O 2.84Å
218	F	98.2	Very high	96.3	Very high	26 Å²	26	41.6 Å²	41.6	11%	0.114	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-98.3	152.3	174.8	-67.7	-87.6	0	0	0	112.2	S144 Y145 T210 Y211 M214 L216	S144-F218 CarbonylContact O-C 3.52Å; S144-F218 WeakPolarHBondContact O-CA 3.5Å; S144-F218 WeakPolarHBondContact O-CB 3.44Å; S144-F218 WeakPolarHBondContact O-CD1 3.5Å; Y145-F218 HydrophobicContact CD1-CD1 4.08Å; Y145-F218 AromaticContact CD1-CE1 3.75Å; Y145-F218 HydrophobicContact CD1-CE1 3.75Å; Y145-F218 HydrophobicContact CD1-CZ 4.03Å; Y145-F218 HydrophobicContact CD2-CD1 4.47Å; Y145-F218 AromaticContact CD2-CE1 3.92Å; Y145-F218 HydrophobicContact CD2-CE1 3.92Å; Y145-F218 HydrophobicContact CE1-CD1 4.14Å; Y145-F218 AromaticContact CE1-CE1 3.38Å; Y145-F218 HydrophobicContact CE1-CE1 3.38Å; Y145-F218 AromaticContact CE1-CE2 3.9Å; Y145-F218 HydrophobicContact CE1-CE2 3.9Å; Y145-F218 AromaticContact CE1-CZ 3.26Å; Y145-F218 HydrophobicContact CE1-CZ 3.26Å; Y145-F218 AromaticContact CE2-CE1 3.56Å; Y145-F218 HydrophobicContact CE2-CE1 3.56Å; Y145-F218 HydrophobicContact CE2-CZ 4.03Å; Y145-F218 HydrophobicContact CG-CD1 4.26Å; Y145-F218 HydrophobicContact CG-CE1 4.01Å; Y145-F218 AromaticContact CZ-CE1 3.28Å; Y145-F218 AromaticContact CZ-CZ 3.26Å; Y145-F218 VanDerWaalsContact OH-CZ 3.3Å; Y145-F218 WeakPolarHBondContact OH-CZ 3.44Å; T210-F218 CarbonylContact C-O 3.54Å; T210-F218 VanDerWaalsContact CA-O 3.32Å; T210-F218 WeakPolarHBondContact CA-O 3.12Å; Y211-F218 PolarHBondContact N-O 3.46Å; M214-F218 HydrophobicContact CB-CB 4.26Å; M214-F218 HydrophobicContact CB-CD2 4.29Å; M214-F218 HydrophobicContact CB-CG 4.14Å; M214-F218 HydrophobicContact CG-CB 4.42Å; M214-F218 HydrophobicContact CG-CD1 3.84Å; M214-F218 HydrophobicContact CG-CD2 4Å; M214-F218 HydrophobicContact CG-CE1 3.98Å; M214-F218 HydrophobicContact CG-CE2 4.14Å; M214-F218 HydrophobicContact CG-CG 3.83Å; M214-F218 HydrophobicContact CG-CZ 4.11Å; M214-F218 HydrophobicContact SD-CB 4.26Å; M214-F218 HydrophobicContact SD-CD1 3.27Å; M214-F218 WeakPolarHBondContact SD-CD1 3.36Å; M214-F218 HydrophobicContact SD-CD2 4.5Å; M214-F218 HydrophobicContact SD-CE1 3.56Å; M214-F218 VanDerWaalsContact SD-CE1 3.56Å; M214-F218 HydrophobicContact SD-CG 3.77Å; M214-F218 HydrophobicContact SD-CZ 4.29Å; L216-F218 VanDerWaalsContact C-N 3.26Å; L216-F218 WeakPolarHBondContact O-CD2 3.38Å; L216-F218 PolarHBondContact O-N 3.47Å
219	T	98.3	Very high	96.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-127.5	149	176.1	-172.1	0	0	0	0	111.5	S144 Y146 K209 A221	S144-T219 PolarHBondContact O-N 3.44Å; Y146-T219 HydrophobicContact CD1-CG2 4.24Å; Y146-T219 HydrophobicContact CE1-CG2 4.14Å; K209-T219 CarbonylContact O-C 3.54Å; K209-T219 WeakPolarHBondContact O-CA 3.3Å; K209-T219 PolarHBondContact O-OG1 2.97Å; T219-A221 PolarHBondContact OG1-N 3.25Å; T219-A221 VanDerWaalsContact OG1-N 3.1Å
220	K	96.8	Very high	96.3	Very high	61 Å²	61	39.9 Å²	39.9	27%	0.265	21%	0.206	S	C	.	.	S	Bend	trans	-91.2	-14.8	168.8	-164.2	179.7	176.1	-131.9	0	112.1	K209 L222 D234 E288	K209-K220 HydrophobicContact CB-CB 4.19Å; K209-K220 PolarHBondContact O-N 3.32Å; K220-L222 PolarHBondContact O-N 3.14Å; K220-L222 VanDerWaalsContact O-N 3.12Å; K220-D234 VanDerWaalsContact CD-OD2 3.23Å; K220-D234 WeakPolarHBondContact CD-OD2 3.3Å; K220-D234 WeakPolarHBondContact CE-OD2 3.45Å; K220-D234 WeakPolarHBondContact CG-OD2 3.36Å; K220-D234 IonicContact NZ-OD1 3.52Å; K220-D234 PolarHBondContact NZ-OD1 2.98Å; K220-D234 IonicContact NZ-OD2 3.6Å; K220-D234 PolarHBondContact NZ-OD2 3.26Å; K220-E288 IonicContact NZ-OE1 2.8Å; K220-E288 PolarHBondContact NZ-OE1 2.97Å; K220-E288 IonicContact NZ-OE2 2.83Å
221	A	97.6	Very high	96.4	Very high	7 Å²	7	38.1 Å²	38.1	6%	0.058	20%	0.195	C	C	.	.			trans	-85.7	75.1	179.4	0	0	0	0	0	111.2	Q206 K209 T219 S223 H224	Q206-A221 VanDerWaalsContact O-CB 3.28Å; Q206-A221 WeakPolarHBondContact O-CB 3.42Å; K209-A221 HydrophobicContact CB-CB 4.01Å; K209-A221 HydrophobicContact CD-CB 3.98Å; K209-A221 HydrophobicContact CG-CB 3.96Å; T219-A221 PolarHBondContact OG1-N 3.25Å; T219-A221 VanDerWaalsContact OG1-N 3.1Å; A221-S223 PolarHBondContact O-N 2.89Å; A221-S223 VanDerWaalsContact O-N 3.14Å; A221-H224 PolarHBondContact O-N 3.07Å; A221-H224 VanDerWaalsContact O-N 3.12Å
222	L	97.9	Very high	96.6	Very high	84 Å²	84	34.3 Å²	34.3	44%	0.44	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.6	-170.5	-55.7	-177.6	0	0	0	114.3	L143 K220 H224	L143-L222 HydrophobicContact CB-CB 4.47Å; L143-L222 HydrophobicContact CB-CD2 4.42Å; L143-L222 WeakPolarHBondContact O-CD2 2.9Å; K220-L222 PolarHBondContact O-N 3.14Å; K220-L222 VanDerWaalsContact O-N 3.12Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-CD2 2.93Å; L222-H224 PolarHBondContact O-N 3.31Å
223	S	96.5	Very high	97	Very high	78 Å²	78	31.5 Å²	31.5	55%	0.545	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-16.5	176.5	-59.1	0	0	0	0	113.7	A221 G225 D227	A221-S223 PolarHBondContact O-N 2.89Å; A221-S223 VanDerWaalsContact O-N 3.14Å; S223-G225 VanDerWaalsContact C-N 3.31Å; S223-G225 PolarHBondContact O-N 2.75Å; S223-D227 PolarHBondContact OG-OD2 2.87Å
224	H	98.4	Very high	97.2	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.014	14%	0.143	C	C	.	.			trans	50.4	40.2	176.1	-70.6	-78.1	0	0	0	115.8	L143 Y145 A221 L222 N373 R374 I375	L143-H224 PolarHBondContact O-NE2 3.45Å; Y145-H224 PolarHBondContact O-CE1 3.42Å; Y145-H224 VanDerWaalsContact O-CE1 3.24Å; A221-H224 PolarHBondContact O-N 3.07Å; A221-H224 VanDerWaalsContact O-N 3.12Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-CD2 2.93Å; L222-H224 PolarHBondContact O-N 3.31Å; H224-N373 PolarHBondContact O-ND2 2.96Å; H224-R374 VanDerWaalsContact CD2-CD 3.42Å; H224-R374 WeakPolarHBondContact CD2-CD 3.36Å; H224-R374 WeakPolarHBondContact CE1-CD 3.46Å; H224-R374 WeakPolarHBondContact NE2-CD 3.28Å; H224-I375 HydrophobicContact CB-CG1 3.99Å; H224-I375 PolarHBondContact ND1-N 3.08Å
225	G	97.9	Very high	97.5	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	14%	0.138	C	C	.	.	S	Bend	trans	177.9	-155.5	179	0	0	0	0	0	112.9	S223 D227	S223-G225 VanDerWaalsContact C-N 3.31Å; S223-G225 PolarHBondContact O-N 2.75Å; G225-D227 PolarHBondContact O-N 3.43Å; G225-D227 VanDerWaalsContact O-N 3.1Å
226	V	98.6	Very high	97.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	15%	0.152	C	C	.	.			trans	-82.7	82	179.6	-170.1	0	0	0	0	109.9	F203 I335 T338 I339 L532 N535	F203-V226 HydrophobicContact CE2-CG1 4.25Å; F203-V226 HydrophobicContact CE2-CG2 3.71Å; F203-V226 HydrophobicContact CZ-CG2 3.81Å; V226-I335 HydrophobicContact CG1-CG2 4.27Å; V226-I335 WeakPolarHBondContact O-CG2 3.26Å; V226-T338 HydrophobicContact CG1-CG2 3.85Å; V226-I339 HydrophobicContact CB-CD1 4.39Å; V226-I339 HydrophobicContact CB-CG1 4.22Å; V226-I339 HydrophobicContact CG1-CG1 4.06Å; V226-I339 HydrophobicContact CG2-CG1 4.33Å; V226-L532 HydrophobicContact CG2-CD2 4.12Å; V226-N535 PolarHBondContact O-ND2 3.32Å
227	D	98.3	Very high	97.9	Very high	25 Å²	25	32 Å²	32	13%	0.134	17%	0.172	C	C	.	.			trans	-103.3	-2.5	176.5	77.1	-34.7	0	0	0	112.7	S223 G225 G229 R331	S223-D227 PolarHBondContact OG-OD2 2.87Å; G225-D227 PolarHBondContact O-N 3.43Å; G225-D227 VanDerWaalsContact O-N 3.1Å; D227-G229 VanDerWaalsContact CG-N 3.32Å; D227-G229 PolarHBondContact O-N 2.82Å; D227-G229 PolarHBondContact OD1-N 2.98Å; D227-R331 PolarHBondContact O-NE 2.77Å; D227-R331 PolarHBondContact O-NH2 2.92Å; D227-R331 IonicContact OD2-NH2 2.83Å
228	A	98.5	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.			trans	58.8	24.8	-170.8	0	0	0	0	0	114.2	H230 I231 Y232 I335	A228-H230 PolarHBondContact O-N 2.86Å; A228-I231 HydrophobicContact CB-CD1 4.17Å; A228-I231 WeakPolarHBondContact O-CA 3.42Å; A228-I231 WeakPolarHBondContact O-CB 3.5Å; A228-I231 PolarHBondContact O-N 3.01Å; A228-Y232 HydrophobicContact CB-CD2 3.59Å; A228-Y232 HydrophobicContact CB-CE2 3.47Å; A228-Y232 VanDerWaalsContact CB-CE2 3.47Å; A228-Y232 WeakPolarHBondContact O-CD2 3.48Å; A228-Y232 PolarHBondContact O-N 3.19Å; A228-I335 HydrophobicContact CB-CG1 4.04Å
229	G	98.3	Very high	98.1	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-22	179.9	0	0	0	0	0	114.1	D227 I231 G233	D227-G229 VanDerWaalsContact CG-N 3.32Å; D227-G229 PolarHBondContact O-N 2.82Å; D227-G229 PolarHBondContact OD1-N 2.98Å; G229-I231 PolarHBondContact O-N 3.34Å; G229-G233 WeakPolarHBondContact CA-O 3.26Å; G229-G233 CarbonylContact O-C 3.55Å; G229-G233 VanDerWaalsContact O-C 3.25Å; G229-G233 WeakPolarHBondContact O-CA 3.24Å; G229-G233 PolarHBondContact O-N 3.18Å
230	H	98.6	Very high	98.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-22.1	168.3	64.6	-52.9	0	0	0	114.4	H202 Q206 A228 G286 Q287 F290	H202-H230 AromaticContact CE1-CD2 3.02Å; H202-H230 PolarHBondContact CE1-CD2 2.52Å; H202-H230 AromaticContact CE1-NE2 3.09Å; H202-H230 PolarHBondContact CE1-NE2 3.42Å; H202-H230 AromaticContact ND1-CD2 3.32Å; H202-H230 PolarHBondContact ND1-CD2 2.8Å; H202-H230 VanDerWaalsContact ND1-CD2 3.32Å; H202-H230 AromaticContact ND1-NE2 3.32Å; H202-H230 PolarHBondContact ND1-NE2 2.64Å; H202-H230 AromaticContact NE2-CD2 3.56Å; H202-H230 PolarHBondContact O-CD2 3.03Å; Q206-H230 HydrophobicContact CB-CB 3.62Å; Q206-H230 VanDerWaalsContact CB-CG 3.45Å; Q206-H230 WeakPolarHBondContact CB-ND1 3.42Å; Q206-H230 PolarHBondContact OE1-CE1 3.41Å; Q206-H230 PolarHBondContact OE1-ND1 3.45Å; A228-H230 PolarHBondContact O-N 2.86Å; H230-G286 CarbonylContact O-C 3.45Å; H230-G286 VanDerWaalsContact O-CA 3.26Å; H230-G286 WeakPolarHBondContact O-CA 3.23Å; H230-G286 PolarHBondContact O-N 2.7Å; H230-Q287 HydrophobicContact CB-CB 4Å; H230-Q287 HydrophobicContact CB-CG 4.04Å; H230-Q287 PolarHBondContact O-N 3.32Å; H230-F290 HydrophobicContact CB-CE2 3.84Å; H230-F290 HydrophobicContact CB-CZ 3.88Å; H230-F290 AromaticContact CD2-CE2 3.99Å
231	I	98.8	Very high	98.2	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-94.4	-49.3	173.5	-61.7	158.8	0	0	0	109.5	A228 G229 L250 G286 W303 V334	A228-I231 HydrophobicContact CB-CD1 4.17Å; A228-I231 WeakPolarHBondContact O-CA 3.42Å; A228-I231 WeakPolarHBondContact O-CB 3.5Å; A228-I231 PolarHBondContact O-N 3.01Å; G229-I231 PolarHBondContact O-N 3.34Å; I231-L250 HydrophobicContact CG2-CD1 4.02Å; I231-G286 WeakPolarHBondContact O-CA 3.27Å; I231-G286 PolarHBondContact O-N 3.17Å; I231-W303 HydrophobicContact CD1-CB 3.56Å; I231-W303 HydrophobicContact CD1-CD2 4.17Å; I231-W303 HydrophobicContact CD1-CG 3.73Å; I231-W303 HydrophobicContact CG1-CB 3.96Å; I231-W303 HydrophobicContact CG1-CG 4.41Å; I231-V334 HydrophobicContact CD1-CG1 4.04Å
232	Y	98.8	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-95.4	-6.8	-168.9	-57	-66.6	0	0	0	115.2	A228 Q239 L250 H307 F327 R331	A228-Y232 HydrophobicContact CB-CD2 3.59Å; A228-Y232 HydrophobicContact CB-CE2 3.47Å; A228-Y232 VanDerWaalsContact CB-CE2 3.47Å; A228-Y232 WeakPolarHBondContact O-CD2 3.48Å; A228-Y232 PolarHBondContact O-N 3.19Å; Y232-Q239 WeakPolarHBondContact O-CA 3.33Å; Y232-Q239 WeakPolarHBondContact O-CB 3.3Å; Y232-L250 HydrophobicContact CD1-CD1 4.25Å; Y232-L250 HydrophobicContact CD1-CD2 4.21Å; Y232-L250 HydrophobicContact CE1-CD1 3.91Å; Y232-L250 HydrophobicContact CE1-CD2 4.46Å; Y232-L250 HydrophobicContact CE1-CG 4.41Å; Y232-H307 AromaticContact CE1-CE1 3.7Å; Y232-H307 AromaticContact CE1-ND1 3.51Å; Y232-H307 AromaticContact CZ-ND1 3.63Å; Y232-H307 PolarHBondContact OH-ND1 2.86Å; Y232-F327 AromaticContact CD1-CE2 3.7Å; Y232-F327 HydrophobicContact CD1-CE2 3.7Å; Y232-F327 AromaticContact CD1-CZ 3.65Å; Y232-F327 HydrophobicContact CD1-CZ 3.65Å; Y232-F327 AromaticContact CE1-CE2 3.91Å; Y232-F327 HydrophobicContact CE1-CE2 3.91Å; Y232-F327 HydrophobicContact CE1-CZ 4.2Å; Y232-F327 HydrophobicContact CG-CZ 4.29Å; Y232-R331 HydrophobicContact CD2-CG 3.85Å; Y232-R331 HydrophobicContact CE2-CB 4.07Å; Y232-R331 HydrophobicContact CE2-CG 3.61Å
233	G	98.1	Very high	98.3	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	17%	0.165	C	C	.	.			trans	92.5	156	-172.1	0	0	0	0	0	113.5	G229	G229-G233 WeakPolarHBondContact CA-O 3.26Å; G229-G233 CarbonylContact O-C 3.55Å; G229-G233 VanDerWaalsContact O-C 3.25Å; G229-G233 WeakPolarHBondContact O-CA 3.24Å; G229-G233 PolarHBondContact O-N 3.18Å
234	D	96.8	Very high	98.4	Very high	35 Å²	35	30.5 Å²	30.5	19%	0.187	16%	0.157	C	C	.	.	S	Bend	trans	-91.2	2.9	-179.8	60.2	10.8	0	0	0	114.1	K209 K220	K209-D234 IonicContact NZ-OD2 2.67Å; K209-D234 PolarHBondContact NZ-OD2 3.33Å; K220-D234 VanDerWaalsContact CD-OD2 3.23Å; K220-D234 WeakPolarHBondContact CD-OD2 3.3Å; K220-D234 WeakPolarHBondContact CE-OD2 3.45Å; K220-D234 WeakPolarHBondContact CG-OD2 3.36Å; K220-D234 IonicContact NZ-OD1 3.52Å; K220-D234 PolarHBondContact NZ-OD1 2.98Å; K220-D234 IonicContact NZ-OD2 3.6Å; K220-D234 PolarHBondContact NZ-OD2 3.26Å
235	N	97.8	Very high	98.4	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.374	18%	0.178	S	C	.	.	S	Bend	trans	-151.6	159.8	176.3	66.4	77.6	0	0	0	110.1	E237 R238 Q239	N235-E237 PolarHBondContact O-N 2.82Å; N235-E237 WeakPolarHBondContact OD1-CB 3.39Å; N235-E237 PolarHBondContact OD1-N 2.8Å; N235-R238 PolarHBondContact O-N 3.46Å; N235-R238 WeakPolarHBondContact OD1-CB 3.08Å; N235-R238 PolarHBondContact OD1-N 3.45Å; N235-Q239 PolarHBondContact O-N 3.2Å; N235-Q239 VanDerWaalsContact O-N 3.1Å
236	L	98.3	Very high	98.4	Very high	106 Å²	106	41.1 Å²	41.1	56%	0.555	20%	0.201	S	C	*	.	H	α-helix	trans	-65.3	-37.8	-173	-172.2	63.6	0	0	0	113.1	R238 Q239 H240	L236-R238 PolarHBondContact O-N 2.94Å; L236-Q239 WeakPolarHBondContact O-CB 3.36Å; L236-Q239 PolarHBondContact O-N 3Å; L236-H240 VanDerWaalsContact CD1-NE2 3.34Å; L236-H240 WeakPolarHBondContact CD1-NE2 3.4Å; L236-H240 PolarHBondContact O-CD2 3.26Å; L236-H240 PolarHBondContact O-N 3.23Å
237	E	98.3	Very high	98.4	Very high	144 Å²	144	43.7 Å²	43.7	67%	0.673	21%	0.214	S	C	*	.	H	α-helix	trans	-61.3	-46.9	178.4	-176.8	-171.8	172.5	0	0	111.1	N235 Q239 H240 N241	N235-E237 PolarHBondContact O-N 2.82Å; N235-E237 WeakPolarHBondContact OD1-CB 3.39Å; N235-E237 PolarHBondContact OD1-N 2.8Å; E237-Q239 VanDerWaalsContact C-N 3.31Å; E237-Q239 PolarHBondContact O-N 3.46Å; E237-H240 PolarHBondContact O-N 3.14Å; E237-N241 PolarHBondContact O-N 3.43Å; E237-N241 PolarHBondContact O-ND2 3.05Å
238	R	98.4	Very high	98.5	Very high	17 Å²	17	42.5 Å²	42.5	6%	0.064	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-42	175.4	-172.5	175.1	-171.2	89.9	-1.4	111.6	N235 L236 N241 L242 I269 R270 M271 I285 G286	N235-R238 PolarHBondContact O-N 3.46Å; N235-R238 WeakPolarHBondContact OD1-CB 3.08Å; N235-R238 PolarHBondContact OD1-N 3.45Å; L236-R238 PolarHBondContact O-N 2.94Å; R238-N241 PolarHBondContact O-N 3.03Å; R238-L242 HydrophobicContact CG-CD1 4.19Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-L242 PolarHBondContact O-N 2.6Å; R238-I269 HydrophobicContact CG-CB 4.39Å; R238-I269 HydrophobicContact CG-CD1 4.4Å; R238-I269 HydrophobicContact CG-CG2 4.12Å; R238-R270 PolarHBondContact NH1-O 3.07Å; R238-R270 PolarHBondContact NH2-O 3.26Å; R238-R270 VanDerWaalsContact NH2-O 3.11Å; R238-M271 PolarHBondContact NH2-SD 3.48Å; R238-I285 PolarHBondContact NH2-O 3.46Å; R238-G286 PolarHBondContact NE-O 3.41Å
239	Q	98.7	Very high	98.5	Very high	10 Å²	10	44 Å²	44	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-47.3	176.4	-178.2	-179.7	84.9	0	0	111.8	Y232 N235 L236 E237 N241 L242 R243 F327	Y232-Q239 WeakPolarHBondContact O-CA 3.33Å; Y232-Q239 WeakPolarHBondContact O-CB 3.3Å; N235-Q239 PolarHBondContact O-N 3.2Å; N235-Q239 VanDerWaalsContact O-N 3.1Å; L236-Q239 WeakPolarHBondContact O-CB 3.36Å; L236-Q239 PolarHBondContact O-N 3Å; E237-Q239 VanDerWaalsContact C-N 3.31Å; E237-Q239 PolarHBondContact O-N 3.46Å; Q239-N241 VanDerWaalsContact C-N 3.32Å; Q239-N241 PolarHBondContact O-N 2.93Å; Q239-L242 PolarHBondContact O-N 3.21Å; Q239-L242 VanDerWaalsContact O-N 3.16Å; Q239-R243 HydrophobicContact CG-CG 4.45Å; Q239-R243 WeakPolarHBondContact O-CG 3.26Å; Q239-R243 PolarHBondContact O-N 3.14Å; Q239-F327 VanDerWaalsContact CD-CE1 3.49Å; Q239-F327 HydrophobicContact CG-CE1 4.08Å; Q239-F327 HydrophobicContact CG-CZ 3.71Å
240	H	98.7	Very high	98.5	Very high	72 Å²	72	44.2 Å²	44.2	33%	0.333	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-43.5	177.8	-73.3	-170.9	0	0	0	111.5	L236 E237 L242 R243 F245	L236-H240 VanDerWaalsContact CD1-NE2 3.34Å; L236-H240 WeakPolarHBondContact CD1-NE2 3.4Å; L236-H240 PolarHBondContact O-CD2 3.26Å; L236-H240 PolarHBondContact O-N 3.23Å; E237-H240 PolarHBondContact O-N 3.14Å; H240-L242 PolarHBondContact O-N 3.12Å; H240-R243 PolarHBondContact O-N 3.13Å; H240-R243 VanDerWaalsContact O-N 3.16Å; H240-F245 HydrophobicContact CB-CE2 4.13Å; H240-F245 HydrophobicContact CB-CZ 3.73Å; H240-F245 AromaticContact CD2-CZ 3.84Å; H240-F245 AromaticContact CG-CZ 3.71Å; H240-F245 WeakPolarHBondContact O-CE2 3.35Å
241	N	98.6	Very high	98.5	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-27	178.6	-76.7	-38	0	0	0	113.7	E237 R238 Q239 K251 A267 I269	E237-N241 PolarHBondContact O-N 3.43Å; E237-N241 PolarHBondContact O-ND2 3.05Å; R238-N241 PolarHBondContact O-N 3.03Å; Q239-N241 VanDerWaalsContact C-N 3.32Å; Q239-N241 PolarHBondContact O-N 2.93Å; N241-K251 WeakPolarHBondContact O-CD 3.29Å; N241-K251 WeakPolarHBondContact O-CE 3.23Å; N241-K251 PolarHBondContact O-NZ 3.4Å; N241-A267 WeakPolarHBondContact O-CB 3.45Å; N241-I269 HydrophobicContact CB-CG2 3.45Å; N241-I269 VanDerWaalsContact CB-CG2 3.45Å
242	L	98.8	Very high	98.5	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-85	-21.4	176.6	-74.8	168.7	0	0	0	113.7	R238 Q239 H240 L250 K251 I269 A284	R238-L242 HydrophobicContact CG-CD1 4.19Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-L242 PolarHBondContact O-N 2.6Å; Q239-L242 PolarHBondContact O-N 3.21Å; Q239-L242 VanDerWaalsContact O-N 3.16Å; H240-L242 PolarHBondContact O-N 3.12Å; L242-L250 HydrophobicContact CB-CD2 4.21Å; L242-K251 WeakPolarHBondContact O-CB 3.33Å; L242-K251 PolarHBondContact O-N 3.26Å; L242-I269 HydrophobicContact CD1-CD1 4.08Å; L242-I269 HydrophobicContact CD2-CD1 3.57Å; L242-I269 HydrophobicContact CG-CD1 3.87Å; L242-A284 HydrophobicContact CD2-CB 4.35Å
243	R	98.8	Very high	98.5	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-78.5	144.6	-179.2	-78.9	172.6	63.2	-176.1	0.2	111.9	Q239 H240 F245 L250 K251 D323 E324 F327	Q239-R243 HydrophobicContact CG-CG 4.45Å; Q239-R243 WeakPolarHBondContact O-CG 3.26Å; Q239-R243 PolarHBondContact O-N 3.14Å; H240-R243 PolarHBondContact O-N 3.13Å; H240-R243 VanDerWaalsContact O-N 3.16Å; R243-F245 VanDerWaalsContact C-N 3.33Å; R243-F245 HydrophobicContact CB-CD2 4.07Å; R243-F245 HydrophobicContact CB-CE1 4.42Å; R243-F245 HydrophobicContact CB-CE2 3.96Å; R243-F245 HydrophobicContact CB-CG 4.38Å; R243-F245 HydrophobicContact CB-CZ 4.15Å; R243-F245 VanDerWaalsContact CZ-CE1 3.41Å; R243-L250 HydrophobicContact CG-CD2 4.29Å; R243-K251 VanDerWaalsContact O-CE 3.23Å; R243-K251 WeakPolarHBondContact O-CE 3.16Å; R243-K251 WeakPolarHBondContact O-CG 3.24Å; R243-D323 IonicContact CZ-OD2 2.7Å; R243-D323 IonicContact NE-OD2 2.8Å; R243-D323 IonicContact NH2-OD2 2.68Å; R243-D323 PolarHBondContact NH2-OD2 3.24Å; R243-E324 IonicContact CZ-OE2 3.7Å; R243-E324 IonicContact NH1-OE1 3.71Å; R243-E324 IonicContact NH1-OE2 3.43Å; R243-E324 PolarHBondContact NH1-OE2 3.07Å; R243-E324 IonicContact NH2-OE2 3.23Å; R243-E324 PolarHBondContact NH2-OE2 3.33Å; R243-F327 HydrophobicContact CG-CD2 3.89Å; R243-F327 HydrophobicContact CG-CE2 3.6Å; R243-F327 HydrophobicContact CG-CZ 4.02Å
244	L	98.7	Very high	98.4	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.366	28%	0.277	S	S	.	.			trans	-77.8	-23.8	172.5	-171.1	62.2	0	0	0	111.7	K246 K249 K251	L244-K246 HydrophobicContact CD2-CB 4.16Å; L244-K246 HydrophobicContact CG-CB 4.07Å; L244-K246 PolarHBondContact O-N 3.43Å; L244-K249 HydrophobicContact CB-CB 4.23Å; L244-K249 VanDerWaalsContact CB-O 3.3Å; L244-K249 WeakPolarHBondContact CB-O 3.41Å; L244-K249 HydrophobicContact CD2-CB 4.08Å; L244-K249 PolarHBondContact N-O 3.2Å; L244-K251 HydrophobicContact CB-CG 4.39Å; L244-K251 HydrophobicContact CD1-CG 4.17Å
245	F	98.7	Very high	98.4	Very high	104 Å²	104	58.3 Å²	58.3	46%	0.456	28%	0.28	S	S	.	.	S	Bend	trans	55.2	32.7	-170.8	-65.4	-76.6	0	0	0	113.3	H240 R243 D323	H240-F245 HydrophobicContact CB-CE2 4.13Å; H240-F245 HydrophobicContact CB-CZ 3.73Å; H240-F245 AromaticContact CD2-CZ 3.84Å; H240-F245 AromaticContact CG-CZ 3.71Å; H240-F245 WeakPolarHBondContact O-CE2 3.35Å; R243-F245 VanDerWaalsContact C-N 3.33Å; R243-F245 HydrophobicContact CB-CD2 4.07Å; R243-F245 HydrophobicContact CB-CE1 4.42Å; R243-F245 HydrophobicContact CB-CE2 3.96Å; R243-F245 HydrophobicContact CB-CG 4.38Å; R243-F245 HydrophobicContact CB-CZ 4.15Å; R243-F245 VanDerWaalsContact CZ-CE1 3.41Å; F245-D323 VanDerWaalsContact C-CG 3.45Å; F245-D323 WeakPolarHBondContact CA-OD1 3.23Å; F245-D323 WeakPolarHBondContact CA-OD2 3.38Å
246	K	98.8	Very high	98.2	Very high	132 Å²	132	61.8 Å²	61.8	57%	0.574	30%	0.298	S	S	*	.	S	Bend	trans	-142.9	129.2	172.6	-177.7	178.1	175.2	-177.5	0	109.2	L244 G248 K249 D323	L244-K246 HydrophobicContact CD2-CB 4.16Å; L244-K246 HydrophobicContact CG-CB 4.07Å; L244-K246 PolarHBondContact O-N 3.43Å; K246-G248 PolarHBondContact O-N 3.13Å; K246-G248 VanDerWaalsContact O-N 3.1Å; K246-K249 WeakPolarHBondContact O-CB 3.19Å; K246-K249 PolarHBondContact O-N 3.23Å; K246-D323 VanDerWaalsContact CA-OD1 3.27Å; K246-D323 WeakPolarHBondContact CA-OD1 3.09Å; K246-D323 PolarHBondContact N-OD1 2.96Å
247	D	98.7	Very high	97.9	Very high	56 Å²	56	59.1 Å²	59.1	30%	0.299	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.4	177.6	-55.4	-43.3	0	0	0	113.9	K249 C311 D323	D247-K249 HydrophobicContact CB-CG 4.45Å; D247-K249 PolarHBondContact O-N 3.07Å; D247-C311 WeakPolarHBondContact O-CB 3.15Å; D247-D323 PolarHBondContact N-OD1 3.22Å
248	G	98.8	Very high	97.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	6.4	-178.7	0	0	0	0	0	115	K246 H307 C311 D323 F327	K246-G248 PolarHBondContact O-N 3.13Å; K246-G248 VanDerWaalsContact O-N 3.1Å; G248-H307 PolarHBondContact O-NE2 2.77Å; G248-C311 VanDerWaalsContact C-SG 3.59Å; G248-C311 PolarHBondContact O-SG 2.95Å; G248-D323 VanDerWaalsContact CA-O 3.24Å; G248-D323 WeakPolarHBondContact CA-O 3.49Å; G248-D323 WeakPolarHBondContact CA-OD1 3.49Å; G248-D323 PolarHBondContact N-OD1 3.08Å; G248-F327 WeakPolarHBondContact O-CD2 3.47Å
249	K	98.9	Very high	97.9	Very high	33 Å²	33	54.9 Å²	54.9	14%	0.143	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-81.7	159.1	-167.1	-66	-171.2	-178.2	-170.4	0	114.2	L244 K246 D247 N308 C311 D312	L244-K249 HydrophobicContact CB-CB 4.23Å; L244-K249 VanDerWaalsContact CB-O 3.3Å; L244-K249 WeakPolarHBondContact CB-O 3.41Å; L244-K249 HydrophobicContact CD2-CB 4.08Å; L244-K249 PolarHBondContact N-O 3.2Å; K246-K249 WeakPolarHBondContact O-CB 3.19Å; K246-K249 PolarHBondContact O-N 3.23Å; D247-K249 HydrophobicContact CB-CG 4.45Å; D247-K249 PolarHBondContact O-N 3.07Å; K249-N308 WeakPolarHBondContact CA-OD1 3.37Å; K249-N308 VanDerWaalsContact CB-OD1 3.32Å; K249-N308 WeakPolarHBondContact CB-OD1 3.45Å; K249-N308 HydrophobicContact CD-CB 4.34Å; K249-N308 HydrophobicContact CG-CB 4.44Å; K249-C311 HydrophobicContact CG-CB 4Å; K249-D312 WeakPolarHBondContact CE-OD1 3.46Å; K249-D312 IonicContact NZ-OD1 3.67Å; K249-D312 PolarHBondContact NZ-OD1 3.26Å; K249-D312 IonicContact NZ-OD2 3.36Å; K249-D312 PolarHBondContact NZ-OD2 2.91Å
250	L	98.9	Very high	97.8	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-83.5	148.8	162.3	-69.9	172.4	0	0	0	110.4	I231 Y232 L242 R243 L304 H307 N308 F327	I231-L250 HydrophobicContact CG2-CD1 4.02Å; Y232-L250 HydrophobicContact CD1-CD1 4.25Å; Y232-L250 HydrophobicContact CD1-CD2 4.21Å; Y232-L250 HydrophobicContact CE1-CD1 3.91Å; Y232-L250 HydrophobicContact CE1-CD2 4.46Å; Y232-L250 HydrophobicContact CE1-CG 4.41Å; L242-L250 HydrophobicContact CB-CD2 4.21Å; R243-L250 HydrophobicContact CG-CD2 4.29Å; L250-L304 HydrophobicContact CB-CG 4.5Å; L250-H307 HydrophobicContact CD1-CB 4.34Å; L250-H307 VanDerWaalsContact CG-CD2 3.49Å; L250-H307 WeakPolarHBondContact CG-CD2 3.28Å; L250-N308 PolarHBondContact N-OD1 3.07Å; L250-N308 PolarHBondContact O-ND2 3.12Å; L250-F327 HydrophobicContact CD2-CE2 4.09Å
251	K	98.9	Very high	97.8	Very high	51 Å²	51	51.4 Å²	51.4	22%	0.222	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-60.2	152.1	168.9	-72	176.1	-178.6	175.3	0	110	N241 L242 R243 L244 P262 D266 A267	N241-K251 WeakPolarHBondContact O-CD 3.29Å; N241-K251 WeakPolarHBondContact O-CE 3.23Å; N241-K251 PolarHBondContact O-NZ 3.4Å; L242-K251 WeakPolarHBondContact O-CB 3.33Å; L242-K251 PolarHBondContact O-N 3.26Å; R243-K251 VanDerWaalsContact O-CE 3.23Å; R243-K251 WeakPolarHBondContact O-CE 3.16Å; R243-K251 WeakPolarHBondContact O-CG 3.24Å; L244-K251 HydrophobicContact CB-CG 4.39Å; L244-K251 HydrophobicContact CD1-CG 4.17Å; K251-P262 HydrophobicContact CB-CB 4.07Å; K251-P262 HydrophobicContact CB-CG 3.84Å; K251-P262 WeakPolarHBondContact O-CD 3.27Å; K251-D266 PolarHBondContact NZ-O 3.02Å; K251-A267 HydrophobicContact CD-CB 4.13Å
252	Y	98.6	Very high	97.8	Very high	93 Å²	93	49.2 Å²	49.2	37%	0.365	25%	0.25	S	S	.	.			trans	-154.8	167.4	178.4	63.3	-87.8	0	0	0	109.7	L254 M259 Y260	Y252-L254 HydrophobicContact CD2-CD2 4.26Å; Y252-L254 HydrophobicContact CD2-CG 4.46Å; Y252-L254 HydrophobicContact CE2-CD2 4.08Å; Y252-L254 HydrophobicContact CE2-CG 4.17Å; Y252-M259 HydrophobicContact CD1-CE 4.27Å; Y252-M259 HydrophobicContact CD1-SD 4.46Å; Y252-M259 HydrophobicContact CD2-CE 4.09Å; Y252-M259 HydrophobicContact CD2-CG 3.78Å; Y252-M259 HydrophobicContact CD2-SD 4.41Å; Y252-M259 HydrophobicContact CE1-CE 4.32Å; Y252-M259 HydrophobicContact CE2-CE 4.14Å; Y252-M259 HydrophobicContact CG-CE 4.16Å; Y252-M259 HydrophobicContact CG-CG 3.83Å; Y252-M259 HydrophobicContact CG-SD 4.12Å; Y252-Y260 WeakPolarHBondContact CA-O 3.44Å; Y252-Y260 WeakPolarHBondContact CB-O 3.49Å
253	Q	97.9	Very high	97.8	Very high	49 Å²	49	49.1 Å²	49.1	23%	0.229	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	157.6	167.9	66.8	-176.8	-60.8	0	0	110.1	V255 Y260 P261	Q253-V255 HydrophobicContact CG-CG2 4.25Å; Q253-Y260 PolarHBondContact N-O 3.05Å; Q253-Y260 PolarHBondContact O-N 3.4Å; Q253-P261 WeakPolarHBondContact CG-O 3.5Å; Q253-P261 PolarHBondContact NE2-O 3.36Å
254	L	97.6	Very high	97.7	Very high	115 Å²	115	50.2 Å²	50.2	60%	0.602	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.3	173.3	-64.9	177.8	0	0	0	109.5	Y252 E258 M259	Y252-L254 HydrophobicContact CD2-CD2 4.26Å; Y252-L254 HydrophobicContact CD2-CG 4.46Å; Y252-L254 HydrophobicContact CE2-CD2 4.08Å; Y252-L254 HydrophobicContact CE2-CG 4.17Å; L254-E258 WeakPolarHBondContact CA-O 3.48Å; L254-M259 HydrophobicContact CD2-CB 4.44Å
255	V	95.6	Very high	97.6	Very high	39 Å²	39	50.8 Å²	50.8	24%	0.236	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.8	172.7	-176.4	0	0	0	0	106.7	Q253 G257 E258 Y260 T413	Q253-V255 HydrophobicContact CG-CG2 4.25Å; V255-G257 PolarHBondContact O-N 2.85Å; V255-G257 VanDerWaalsContact O-N 3.15Å; V255-E258 PolarHBondContact N-O 3.35Å; V255-E258 WeakPolarHBondContact O-CB 3.3Å; V255-E258 PolarHBondContact O-N 3.13Å; V255-Y260 HydrophobicContact CB-CD2 3.76Å; V255-Y260 HydrophobicContact CB-CE2 3.93Å; V255-Y260 HydrophobicContact CG2-CD2 4.03Å; V255-T413 HydrophobicContact CB-CG2 4.42Å; V255-T413 HydrophobicContact CG1-CG2 4.23Å; V255-T413 HydrophobicContact CG2-CG2 4.45Å
256	D	92.9	Very high	97.5	Very high	143 Å²	143	50.1 Å²	50.1	77%	0.765	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	36.4	-175.6	-56.3	-39.2	0	0	0	113.9	E258 R571	D256-E258 PolarHBondContact O-N 3.45Å; D256-R571 PolarHBondContact O-NH2 3.35Å
257	G	93.6	Very high	97.5	Very high	51 Å²	51	43.9 Å²	43.9	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	7.5	-178.8	0	0	0	0	0	114.7	V255 R571	V255-G257 PolarHBondContact O-N 2.85Å; V255-G257 VanDerWaalsContact O-N 3.15Å; G257-R571 VanDerWaalsContact C-NH2 3.33Å; G257-R571 PolarHBondContact O-NH2 2.84Å
258	E	96.8	Very high	97.3	Very high	27 Å²	27	45 Å²	45	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.9	178.1	-77.5	-59.8	107.4	0	0	112.1	L254 V255 D256 Y260 R305 R571	L254-E258 WeakPolarHBondContact CA-O 3.48Å; V255-E258 PolarHBondContact N-O 3.35Å; V255-E258 WeakPolarHBondContact O-CB 3.3Å; V255-E258 PolarHBondContact O-N 3.13Å; D256-E258 PolarHBondContact O-N 3.45Å; E258-Y260 HydrophobicContact CB-CD2 4.3Å; E258-Y260 HydrophobicContact CB-CE2 3.58Å; E258-Y260 WeakPolarHBondContact O-CD2 3.16Å; E258-R305 IonicContact OE2-CZ 2.66Å; E258-R305 VanDerWaalsContact OE2-CZ 3.22Å; E258-R305 IonicContact OE2-NH1 3.85Å; E258-R305 PolarHBondContact OE2-NH1 3.02Å; E258-R305 IonicContact OE2-NH2 3.87Å; E258-R305 PolarHBondContact OE2-NH2 3.2Å; E258-R571 IonicContact OE1-CZ 3Å; E258-R571 IonicContact OE1-NE 2.6Å; E258-R571 PolarHBondContact OE1-NE 3.19Å; E258-R571 IonicContact OE1-NH2 2.67Å; E258-R571 PolarHBondContact OE1-NH2 2.92Å
259	M	98.3	Very high	97.2	Very high	45 Å²	45	45.6 Å²	45.6	22%	0.222	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.1	-179.7	-174.8	-176.4	-66.7	0	0	111.4	Y252 L254 T301 L304 R305 N308	Y252-M259 HydrophobicContact CD1-CE 4.27Å; Y252-M259 HydrophobicContact CD1-SD 4.46Å; Y252-M259 HydrophobicContact CD2-CE 4.09Å; Y252-M259 HydrophobicContact CD2-CG 3.78Å; Y252-M259 HydrophobicContact CD2-SD 4.41Å; Y252-M259 HydrophobicContact CE1-CE 4.32Å; Y252-M259 HydrophobicContact CE2-CE 4.14Å; Y252-M259 HydrophobicContact CG-CE 4.16Å; Y252-M259 HydrophobicContact CG-CG 3.83Å; Y252-M259 HydrophobicContact CG-SD 4.12Å; L254-M259 HydrophobicContact CD2-CB 4.44Å; M259-T301 WeakPolarHBondContact O-CG2 3.17Å; M259-L304 HydrophobicContact CG-CD2 3.8Å; M259-L304 HydrophobicContact SD-CD2 3.55Å; M259-L304 VanDerWaalsContact SD-CD2 3.55Å; M259-R305 HydrophobicContact CB-CG 4.24Å; M259-R305 HydrophobicContact CG-CG 4.32Å; M259-R305 VanDerWaalsContact O-CZ 3.27Å; M259-R305 PolarHBondContact O-NE 3.44Å; M259-R305 PolarHBondContact O-NH2 3.32Å; M259-R305 HydrophobicContact SD-CG 4.01Å; M259-N308 HydrophobicContact SD-CB 4.48Å
260	Y	98.6	Very high	97.1	Very high	6 Å²	6	52 Å²	52	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	162.6	173.8	-67.9	-79.6	0	0	0	111.2	Y252 Q253 V255 E258 M283 T301 L412 T413 V417	Y252-Y260 WeakPolarHBondContact CA-O 3.44Å; Y252-Y260 WeakPolarHBondContact CB-O 3.49Å; Q253-Y260 PolarHBondContact N-O 3.05Å; Q253-Y260 PolarHBondContact O-N 3.4Å; V255-Y260 HydrophobicContact CB-CD2 3.76Å; V255-Y260 HydrophobicContact CB-CE2 3.93Å; V255-Y260 HydrophobicContact CG2-CD2 4.03Å; E258-Y260 HydrophobicContact CB-CD2 4.3Å; E258-Y260 HydrophobicContact CB-CE2 3.58Å; E258-Y260 WeakPolarHBondContact O-CD2 3.16Å; Y260-M283 HydrophobicContact CD1-CE 4.33Å; Y260-M283 HydrophobicContact CG-CE 4.49Å; Y260-T301 HydrophobicContact CD1-CG2 3.88Å; Y260-T301 HydrophobicContact CE1-CG2 4.31Å; Y260-L412 HydrophobicContact CD1-CD2 4.2Å; Y260-L412 HydrophobicContact CD1-CG 4.15Å; Y260-L412 HydrophobicContact CE1-CD1 4.2Å; Y260-L412 HydrophobicContact CE1-CD2 4.36Å; Y260-L412 HydrophobicContact CE1-CG 3.82Å; Y260-T413 HydrophobicContact CD1-CG2 4.23Å; Y260-T413 HydrophobicContact CD2-CG2 4.15Å; Y260-T413 HydrophobicContact CE1-CG2 4.15Å; Y260-T413 HydrophobicContact CE2-CG2 4.04Å; Y260-T413 HydrophobicContact CG-CG2 4.23Å; Y260-V417 HydrophobicContact CE1-CG2 4.43Å
261	P	98.6	Very high	97	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.013	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-53.5	144.8	171.5	-24.3	33.2	0	0	0	111.6	Q253 M283 I285 T301 L304	Q253-P261 WeakPolarHBondContact CG-O 3.5Å; Q253-P261 PolarHBondContact NE2-O 3.36Å; P261-M283 HydrophobicContact CB-CB 4.21Å; P261-M283 HydrophobicContact CG-SD 4.31Å; P261-I285 HydrophobicContact CB-CG1 4Å; P261-I285 HydrophobicContact CG-CD1 4.47Å; P261-I285 HydrophobicContact CG-CG1 4.17Å; P261-T301 VanDerWaalsContact CD-OG1 3.26Å; P261-T301 WeakPolarHBondContact CD-OG1 3.25Å; P261-L304 HydrophobicContact CB-CD1 4.21Å; P261-L304 HydrophobicContact CG-CD1 4.33Å
262	P	98.3	Very high	96.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64	163	-176.6	29.9	-34.1	0	0	0	110.9	K251 D266 A267 M283 A284	K251-P262 HydrophobicContact CB-CB 4.07Å; K251-P262 HydrophobicContact CB-CG 3.84Å; K251-P262 WeakPolarHBondContact O-CD 3.27Å; P262-D266 HydrophobicContact CB-CB 4.34Å; P262-A267 HydrophobicContact CB-CB 4.19Å; P262-A267 HydrophobicContact CG-CB 3.77Å; P262-M283 CarbonylContact O-C 3.45Å; P262-M283 WeakPolarHBondContact O-CA 3.49Å; P262-A284 HydrophobicContact CG-CB 4.25Å; P262-A284 PolarHBondContact O-N 3.45Å
263	S	97.8	Very high	96.8	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.042	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-73.4	161.8	172.2	76.3	0	0	0	0	110.9	V265 D266 A267 Q282	S263-V265 PolarHBondContact O-N 3.38Å; S263-V265 WeakPolarHBondContact OG-CB 3.22Å; S263-V265 PolarHBondContact OG-N 3.31Å; S263-D266 PolarHBondContact O-N 3.39Å; S263-D266 VanDerWaalsContact O-N 3.16Å; S263-D266 PolarHBondContact OG-N 2.97Å; S263-D266 PolarHBondContact OG-OD2 3.37Å; S263-A267 PolarHBondContact O-N 3.47Å; S263-Q282 CarbonylContact C-O 3.54Å; S263-Q282 VanDerWaalsContact CA-O 3.29Å; S263-Q282 WeakPolarHBondContact CA-O 3.5Å
264	V	97.4	Very high	96.7	Very high	25 Å²	25	49.7 Å²	49.7	15%	0.152	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.8	171	172.7	0	0	0	0	111.8	A267 P268 M271 Q282 A284	V264-A267 CarbonylContact O-C 3.54Å; V264-P268 VanDerWaalsContact O-CA 3.31Å; V264-P268 WeakPolarHBondContact O-CA 3.32Å; V264-M271 HydrophobicContact CG2-CB 4.25Å; V264-M271 HydrophobicContact CG2-CG 3.69Å; V264-Q282 HydrophobicContact CB-CB 4.17Å; V264-Q282 HydrophobicContact CG2-CB 3.62Å; V264-Q282 PolarHBondContact N-O 2.7Å; V264-A284 HydrophobicContact CG2-CB 4.17Å
265	V	96.9	Very high	96.4	Very high	82 Å²	82	51.1 Å²	51.1	50%	0.497	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-42.6	172.6	-179.4	0	0	0	0	110.8	S263 A279 E280	S263-V265 PolarHBondContact O-N 3.38Å; S263-V265 WeakPolarHBondContact OG-CB 3.22Å; S263-V265 PolarHBondContact OG-N 3.31Å; V265-A279 HydrophobicContact CG2-CB 3.88Å; V265-E280 HydrophobicContact CG2-CG 4.11Å
266	D	96.9	Very high	96.1	Very high	91 Å²	91	52.8 Å²	52.8	49%	0.487	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-26.6	-177	-54.5	-53.4	0	0	0	113.3	K251 P262 S263	K251-D266 PolarHBondContact NZ-O 3.02Å; P262-D266 HydrophobicContact CB-CB 4.34Å; S263-D266 PolarHBondContact O-N 3.39Å; S263-D266 VanDerWaalsContact O-N 3.16Å; S263-D266 PolarHBondContact OG-N 2.97Å; S263-D266 PolarHBondContact OG-OD2 3.37Å
267	A	97.4	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-129	88.2	175.8	0	0	0	0	0	109	N241 K251 P262 S263 V264 I269 A284	N241-A267 WeakPolarHBondContact O-CB 3.45Å; K251-A267 HydrophobicContact CD-CB 4.13Å; P262-A267 HydrophobicContact CB-CB 4.19Å; P262-A267 HydrophobicContact CG-CB 3.77Å; S263-A267 PolarHBondContact O-N 3.47Å; V264-A267 CarbonylContact O-C 3.54Å; A267-I269 VanDerWaalsContact C-N 3.28Å; A267-I269 PolarHBondContact O-N 2.94Å; A267-A284 HydrophobicContact CB-CB 3.74Å
268	P	95.9	Very high	96.3	Very high	81 Å²	81	47.6 Å²	47.6	53%	0.526	28%	0.282	S	S	.	.			trans	-72.8	81.1	-170.2	30.2	-36	0	0	0	111.4	V264	V264-P268 VanDerWaalsContact O-CA 3.31Å; V264-P268 WeakPolarHBondContact O-CA 3.32Å
269	I	96.6	Very high	96.2	Very high	11 Å²	11	48 Å²	48	6%	0.056	29%	0.29	C	S	.	.			trans	-123.7	147.6	176.2	71.9	-176.1	0	0	0	109.9	R238 N241 L242 A267 M271 A284 I285	R238-I269 HydrophobicContact CG-CB 4.39Å; R238-I269 HydrophobicContact CG-CD1 4.4Å; R238-I269 HydrophobicContact CG-CG2 4.12Å; N241-I269 HydrophobicContact CB-CG2 3.45Å; N241-I269 VanDerWaalsContact CB-CG2 3.45Å; L242-I269 HydrophobicContact CD1-CD1 4.08Å; L242-I269 HydrophobicContact CD2-CD1 3.57Å; L242-I269 HydrophobicContact CG-CD1 3.87Å; A267-I269 VanDerWaalsContact C-N 3.28Å; A267-I269 PolarHBondContact O-N 2.94Å; I269-M271 HydrophobicContact CD1-SD 4.29Å; I269-M271 HydrophobicContact CG1-CG 4.36Å; I269-M271 HydrophobicContact CG1-SD 4.31Å; I269-M271 PolarHBondContact O-N 3.16Å; I269-A284 HydrophobicContact CD1-CB 3.71Å; I269-A284 HydrophobicContact CG1-CB 3.81Å; I269-I285 WeakPolarHBondContact CD1-O 3.47Å
270	R	95.5	Very high	96	Very high	167 Å²	167	51.7 Å²	51.7	63%	0.63	31%	0.306	S	S	*	.			trans	-66	123.8	175.9	-175.7	179	178.9	148.7	9.5	110.6	R238	R238-R270 PolarHBondContact NH1-O 3.07Å; R238-R270 PolarHBondContact NH2-O 3.26Å; R238-R270 VanDerWaalsContact NH2-O 3.11Å
271	M	97.4	Very high	95.8	Very high	18 Å²	18	59.4 Å²	59.4	9%	0.089	34%	0.336	C	S	.	.			trans	-117.7	154.7	168.7	-65.3	-60.3	-64.9	0	0	110.2	R238 V264 I269 Y273 M283 I285 Q287 E288	R238-M271 PolarHBondContact NH2-SD 3.48Å; V264-M271 HydrophobicContact CG2-CB 4.25Å; V264-M271 HydrophobicContact CG2-CG 3.69Å; I269-M271 HydrophobicContact CD1-SD 4.29Å; I269-M271 HydrophobicContact CG1-CG 4.36Å; I269-M271 HydrophobicContact CG1-SD 4.31Å; I269-M271 PolarHBondContact O-N 3.16Å; M271-Y273 HydrophobicContact CB-CD2 3.63Å; M271-Y273 HydrophobicContact CB-CE2 3.79Å; M271-Y273 HydrophobicContact CE-CE2 4.33Å; M271-Y273 HydrophobicContact CG-CE2 4.31Å; M271-Y273 PolarHBondContact O-N 3.06Å; M271-M283 WeakPolarHBondContact CE-O 3.44Å; M271-I285 HydrophobicContact CE-CB 4.11Å; M271-Q287 WeakPolarHBondContact CE-O 3.32Å; M271-E288 WeakPolarHBondContact CE-O 3.47Å
272	S	96.1	Very high	95.7	Very high	53 Å²	53	60.8 Å²	60.8	37%	0.371	34%	0.342	S	S	.	.			trans	-97.4	78	177.5	-69.9	0	0	0	0	110.4	E288	S272-E288 WeakPolarHBondContact CB-O 3.32Å; S272-E288 PolarHBondContact N-O 2.81Å
273	Y	96.4	Very high	95.7	Very high	35 Å²	35	61.7 Å²	61.7	14%	0.137	35%	0.346	C	S	.	.			trans	-105.7	155.7	169.7	-77.1	-84.8	0	0	0	111.5	M271 V277 Q282 M283 G291 T409	M271-Y273 HydrophobicContact CB-CD2 3.63Å; M271-Y273 HydrophobicContact CB-CE2 3.79Å; M271-Y273 HydrophobicContact CE-CE2 4.33Å; M271-Y273 HydrophobicContact CG-CE2 4.31Å; M271-Y273 PolarHBondContact O-N 3.06Å; Y273-V277 HydrophobicContact CD1-CB 4.47Å; Y273-V277 HydrophobicContact CD1-CG1 4.13Å; Y273-V277 HydrophobicContact CD1-CG2 4.45Å; Y273-V277 HydrophobicContact CG-CG1 4.5Å; Y273-Q282 HydrophobicContact CD1-CG 4.26Å; Y273-Q282 HydrophobicContact CD2-CB 3.66Å; Y273-Q282 HydrophobicContact CD2-CG 3.44Å; Y273-Q282 VanDerWaalsContact CD2-CG 3.44Å; Y273-Q282 HydrophobicContact CE2-CB 3.57Å; Y273-Q282 HydrophobicContact CE2-CG 3.85Å; Y273-Q282 HydrophobicContact CG-CB 4.33Å; Y273-Q282 HydrophobicContact CG-CG 3.66Å; Y273-M283 PolarHBondContact OH-N 2.71Å; Y273-G291 VanDerWaalsContact CZ-CA 3.41Å; Y273-G291 VanDerWaalsContact OH-CA 3.29Å; Y273-G291 WeakPolarHBondContact OH-CA 3.3Å; Y273-T409 HydrophobicContact CD1-CG2 4.21Å; Y273-T409 HydrophobicContact CE1-CG2 3.66Å
274	P	95.8	Very high	95.7	Very high	45 Å²	45	61.4 Å²	61.4	29%	0.292	34%	0.344	S	S	.	.			trans	-57.8	146.5	169.9	-23.5	33.9	0	0	0	111.6	G276 V277 F407	P274-G276 PolarHBondContact O-N 3.18Å; P274-V277 HydrophobicContact CB-CG2 4.29Å; P274-V277 HydrophobicContact CG-CG2 4.35Å; P274-V277 PolarHBondContact O-N 3.13Å; P274-F407 VanDerWaalsContact CD-CD1 3.47Å; P274-F407 HydrophobicContact CG-CB 3.93Å; P274-F407 HydrophobicContact CG-CD1 3.85Å; P274-F407 HydrophobicContact CG-CD2 3.9Å; P274-F407 HydrophobicContact CG-CE1 4.23Å; P274-F407 HydrophobicContact CG-CE2 4.29Å; P274-F407 HydrophobicContact CG-CG 3.63Å; P274-F407 HydrophobicContact CG-CZ 4.42Å
275	P	91.6	Very high	95.7	Very high	146 Å²	146	60.7 Å²	60.7	95%	0.948	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	-174.5	-27.5	34.7	0	0	0	116.3
276	G	90.4	Very high	95.7	Very high	74 Å²	74	56.9 Å²	56.9	76%	0.763	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.5	-179.8	0	0	0	0	0	115.4	P274 P278	P274-G276 PolarHBondContact O-N 3.18Å; G276-P278 WeakPolarHBondContact O-CD 3.22Å
277	V	94.4	Very high	95.8	Very high	25 Å²	25	52.9 Å²	52.9	15%	0.152	30%	0.295	C	S	.	.	S	Bend	trans	-84	119.4	-178.9	-177.5	0	0	0	0	109.6	Y273 P274 R281 Q282 T409	Y273-V277 HydrophobicContact CD1-CB 4.47Å; Y273-V277 HydrophobicContact CD1-CG1 4.13Å; Y273-V277 HydrophobicContact CD1-CG2 4.45Å; Y273-V277 HydrophobicContact CG-CG1 4.5Å; P274-V277 HydrophobicContact CB-CG2 4.29Å; P274-V277 HydrophobicContact CG-CG2 4.35Å; P274-V277 PolarHBondContact O-N 3.13Å; V277-R281 HydrophobicContact CG1-CB 4.46Å; V277-Q282 HydrophobicContact CB-CG 4.42Å; V277-Q282 HydrophobicContact CG1-CG 3.77Å; V277-Q282 PolarHBondContact O-NE2 2.98Å; V277-T409 HydrophobicContact CG1-CG2 3.79Å
278	P	94.9	Very high	95.8	Very high	59 Å²	59	54.7 Å²	54.7	38%	0.383	30%	0.303	S	S	.	.			trans	-62	144	178.9	-21.5	32.9	0	0	0	112.6	G276 E280 R281 Q282	G276-P278 WeakPolarHBondContact O-CD 3.22Å; P278-E280 WeakPolarHBondContact CB-OE2 3.36Å; P278-E280 PolarHBondContact O-N 3.37Å; P278-R281 PolarHBondContact O-N 3.48Å; P278-Q282 WeakPolarHBondContact O-CG 3.21Å; P278-Q282 PolarHBondContact O-N 2.96Å
279	A	94.9	Very high	95.8	Very high	36 Å²	36	53.1 Å²	53.1	30%	0.298	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.8	-30.8	-175.5	0	0	0	0	0	113.2	V265 R281 Q282	V265-A279 HydrophobicContact CG2-CB 3.88Å; A279-R281 PolarHBondContact O-N 3.4Å; A279-Q282 PolarHBondContact O-N 3.44Å; A279-Q282 VanDerWaalsContact O-N 3.16Å
280	E	94.5	Very high	95.9	Very high	122 Å²	122	52.6 Å²	52.6	57%	0.57	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26	176.7	-54.9	73.8	-162.6	0	0	111.7	V265 P278	V265-E280 HydrophobicContact CG2-CG 4.11Å; P278-E280 WeakPolarHBondContact CB-OE2 3.36Å; P278-E280 PolarHBondContact O-N 3.37Å
281	R	93.8	Very high	95.9	Very high	169 Å²	169	45.1 Å²	45.1	64%	0.638	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-97.9	-1.3	178	-61.2	-172.7	-179.2	-177.3	-0	113	V277 P278 A279 T409	V277-R281 HydrophobicContact CG1-CB 4.46Å; P278-R281 PolarHBondContact O-N 3.48Å; A279-R281 PolarHBondContact O-N 3.4Å; R281-T409 WeakPolarHBondContact O-CB 3.46Å; R281-T409 WeakPolarHBondContact O-CG2 3.35Å
282	Q	96.8	Very high	95.9	Very high	30 Å²	30	46.6 Å²	46.6	14%	0.14	27%	0.272	C	S	.	.	S	Bend	trans	-90.8	121.3	176.1	-64.4	-178.5	29.3	0	0	109.1	S263 V264 Y273 V277 P278 A279	S263-Q282 CarbonylContact C-O 3.54Å; S263-Q282 VanDerWaalsContact CA-O 3.29Å; S263-Q282 WeakPolarHBondContact CA-O 3.5Å; V264-Q282 HydrophobicContact CB-CB 4.17Å; V264-Q282 HydrophobicContact CG2-CB 3.62Å; V264-Q282 PolarHBondContact N-O 2.7Å; Y273-Q282 HydrophobicContact CD1-CG 4.26Å; Y273-Q282 HydrophobicContact CD2-CB 3.66Å; Y273-Q282 HydrophobicContact CD2-CG 3.44Å; Y273-Q282 VanDerWaalsContact CD2-CG 3.44Å; Y273-Q282 HydrophobicContact CE2-CB 3.57Å; Y273-Q282 HydrophobicContact CE2-CG 3.85Å; Y273-Q282 HydrophobicContact CG-CB 4.33Å; Y273-Q282 HydrophobicContact CG-CG 3.66Å; V277-Q282 HydrophobicContact CB-CG 4.42Å; V277-Q282 HydrophobicContact CG1-CG 3.77Å; V277-Q282 PolarHBondContact O-NE2 2.98Å; P278-Q282 WeakPolarHBondContact O-CG 3.21Å; P278-Q282 PolarHBondContact O-N 2.96Å; A279-Q282 PolarHBondContact O-N 3.44Å; A279-Q282 VanDerWaalsContact O-N 3.16Å
283	M	97.6	Very high	96	Very high	20 Å²	20	44.6 Å²	44.6	10%	0.099	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-79.5	128	174.8	-70.7	-177	-178.4	0	0	109.9	Y260 P261 P262 M271 Y273 I285 L412 T413	Y260-M283 HydrophobicContact CD1-CE 4.33Å; Y260-M283 HydrophobicContact CG-CE 4.49Å; P261-M283 HydrophobicContact CB-CB 4.21Å; P261-M283 HydrophobicContact CG-SD 4.31Å; P262-M283 CarbonylContact O-C 3.45Å; P262-M283 WeakPolarHBondContact O-CA 3.49Å; M271-M283 WeakPolarHBondContact CE-O 3.44Å; Y273-M283 PolarHBondContact OH-N 2.71Å; M283-I285 HydrophobicContact CB-CD1 4.14Å; M283-I285 HydrophobicContact CB-CG1 4.3Å; M283-L412 HydrophobicContact CE-CD2 4.06Å; M283-L412 HydrophobicContact SD-CD2 3.95Å; M283-T413 HydrophobicContact CE-CG2 3.78Å
284	A	98.3	Very high	96.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	25%	0.253	C	S	.	.			trans	-84.6	111.4	175	0	0	0	0	0	110	L242 P262 V264 A267 I269	L242-A284 HydrophobicContact CD2-CB 4.35Å; P262-A284 HydrophobicContact CG-CB 4.25Å; P262-A284 PolarHBondContact O-N 3.45Å; V264-A284 HydrophobicContact CG2-CB 4.17Å; A267-A284 HydrophobicContact CB-CB 3.74Å; I269-A284 HydrophobicContact CD1-CB 3.71Å; I269-A284 HydrophobicContact CG1-CB 3.81Å
285	I	97.5	Very high	96.2	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.051	24%	0.239	C	C	.	.			trans	-128.4	151.8	-175.5	-59.3	166.8	0	0	0	109.4	R238 P261 I269 M271 M283 Q287 F290 A300	R238-I285 PolarHBondContact NH2-O 3.46Å; P261-I285 HydrophobicContact CB-CG1 4Å; P261-I285 HydrophobicContact CG-CD1 4.47Å; P261-I285 HydrophobicContact CG-CG1 4.17Å; I269-I285 WeakPolarHBondContact CD1-O 3.47Å; M271-I285 HydrophobicContact CE-CB 4.11Å; M283-I285 HydrophobicContact CB-CD1 4.14Å; M283-I285 HydrophobicContact CB-CG1 4.3Å; I285-Q287 PolarHBondContact O-N 3.4Å; I285-F290 HydrophobicContact CD1-CB 4.09Å; I285-F290 HydrophobicContact CG2-CB 4.22Å; I285-F290 HydrophobicContact CG2-CD2 3.82Å; I285-F290 HydrophobicContact CG2-CG 4.46Å; I285-A300 HydrophobicContact CD1-CB 3.86Å; I285-A300 HydrophobicContact CG1-CB 4.21Å; I285-A300 HydrophobicContact CG2-CB 3.71Å
286	G	97.9	Very high	96.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	-51.4	-38.8	178.9	0	0	0	0	0	114.3	H230 I231 R238	H230-G286 CarbonylContact O-C 3.45Å; H230-G286 VanDerWaalsContact O-CA 3.26Å; H230-G286 WeakPolarHBondContact O-CA 3.23Å; H230-G286 PolarHBondContact O-N 2.7Å; I231-G286 WeakPolarHBondContact O-CA 3.27Å; I231-G286 PolarHBondContact O-N 3.17Å; R238-G286 PolarHBondContact NE-O 3.41Å
287	Q	98.2	Very high	96.9	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.033	16%	0.16	C	C	.	.	S	Bend	trans	-93	119.6	175.2	-139	-72.5	11.3	0	0	111.2	H205 H230 M271 I285 V289 F290	H205-Q287 HydrophobicContact CB-CG 4.47Å; H205-Q287 PolarHBondContact O-NE2 3.01Å; H230-Q287 HydrophobicContact CB-CB 4Å; H230-Q287 HydrophobicContact CB-CG 4.04Å; H230-Q287 PolarHBondContact O-N 3.32Å; M271-Q287 WeakPolarHBondContact CE-O 3.32Å; I285-Q287 PolarHBondContact O-N 3.4Å; Q287-V289 VanDerWaalsContact C-N 3.27Å; Q287-V289 PolarHBondContact O-N 2.8Å; Q287-V289 VanDerWaalsContact O-N 3.16Å; Q287-F290 HydrophobicContact CB-CD1 3.67Å; Q287-F290 HydrophobicContact CB-CD2 3.6Å; Q287-F290 HydrophobicContact CB-CE1 3.66Å; Q287-F290 HydrophobicContact CB-CE2 3.55Å; Q287-F290 HydrophobicContact CB-CG 3.66Å; Q287-F290 HydrophobicContact CB-CZ 3.6Å; Q287-F290 HydrophobicContact CG-CD1 3.93Å; Q287-F290 HydrophobicContact CG-CE1 3.55Å; Q287-F290 HydrophobicContact CG-CE2 4.16Å; Q287-F290 HydrophobicContact CG-CG 4.43Å; Q287-F290 HydrophobicContact CG-CZ 3.66Å; Q287-F290 PolarHBondContact O-N 2.73Å
288	E	97.1	Very high	97.1	Very high	38 Å²	38	29.7 Å²	29.7	18%	0.178	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.9	-174.8	57.9	-104.6	-119.6	0	0	116.4	K209 K220 M271 S272	K209-E288 WeakPolarHBondContact CE-OE2 3.4Å; K209-E288 IonicContact NZ-OE2 3.44Å; K209-E288 PolarHBondContact NZ-OE2 3.17Å; K220-E288 IonicContact NZ-OE1 2.8Å; K220-E288 PolarHBondContact NZ-OE1 2.97Å; K220-E288 IonicContact NZ-OE2 2.83Å; M271-E288 WeakPolarHBondContact CE-O 3.47Å; S272-E288 WeakPolarHBondContact CB-O 3.32Å; S272-E288 PolarHBondContact N-O 2.81Å
289	V	97.4	Very high	97.3	Very high	48 Å²	48	26.9 Å²	26.9	29%	0.291	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.5	-177.3	-53.1	0	0	0	0	114.4	Q287 G291 L292	Q287-V289 VanDerWaalsContact C-N 3.27Å; Q287-V289 PolarHBondContact O-N 2.8Å; Q287-V289 VanDerWaalsContact O-N 3.16Å; V289-G291 PolarHBondContact O-N 3.45Å; V289-G291 VanDerWaalsContact O-N 3.14Å; V289-L292 WeakPolarHBondContact O-CB 3.49Å; V289-L292 PolarHBondContact O-N 2.97Å
290	F	98.1	Very high	97.5	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-68.7	-12.8	-176.5	-75.6	3.3	0	0	0	114.3	H202 H205 H230 I285 Q287 L292 L296 A300	H202-F290 AromaticContact CD2-CD2 3.8Å; H202-F290 AromaticContact CD2-CE2 3.21Å; H202-F290 WeakPolarHBondContact CD2-CE2 3.17Å; H202-F290 AromaticContact CD2-CZ 3.79Å; H202-F290 AromaticContact NE2-CE2 3.47Å; H202-F290 WeakPolarHBondContact NE2-CE2 3.46Å; H205-F290 HydrophobicContact CB-CE1 3.59Å; H205-F290 HydrophobicContact CB-CZ 3.95Å; H230-F290 HydrophobicContact CB-CE2 3.84Å; H230-F290 HydrophobicContact CB-CZ 3.88Å; H230-F290 AromaticContact CD2-CE2 3.99Å; I285-F290 HydrophobicContact CD1-CB 4.09Å; I285-F290 HydrophobicContact CG2-CB 4.22Å; I285-F290 HydrophobicContact CG2-CD2 3.82Å; I285-F290 HydrophobicContact CG2-CG 4.46Å; Q287-F290 HydrophobicContact CB-CD1 3.67Å; Q287-F290 HydrophobicContact CB-CD2 3.6Å; Q287-F290 HydrophobicContact CB-CE1 3.66Å; Q287-F290 HydrophobicContact CB-CE2 3.55Å; Q287-F290 HydrophobicContact CB-CG 3.66Å; Q287-F290 HydrophobicContact CB-CZ 3.6Å; Q287-F290 HydrophobicContact CG-CD1 3.93Å; Q287-F290 HydrophobicContact CG-CE1 3.55Å; Q287-F290 HydrophobicContact CG-CE2 4.16Å; Q287-F290 HydrophobicContact CG-CG 4.43Å; Q287-F290 HydrophobicContact CG-CZ 3.66Å; Q287-F290 PolarHBondContact O-N 2.73Å; F290-L292 PolarHBondContact O-N 3.36Å; F290-L296 HydrophobicContact CB-CB 4.01Å; F290-L296 HydrophobicContact CD1-CB 4.11Å; F290-L296 HydrophobicContact CD1-CD1 3.77Å; F290-L296 HydrophobicContact CD1-CD2 4.42Å; F290-L296 HydrophobicContact CD1-CG 4.33Å; F290-L296 HydrophobicContact CE1-CD1 4.28Å; F290-L296 HydrophobicContact CE1-CD2 4.31Å; F290-L296 HydrophobicContact CG-CB 3.99Å; F290-L296 HydrophobicContact CG-CD1 4.44Å; F290-A300 HydrophobicContact CD2-CB 4.42Å
291	G	95.9	Very high	97.7	Very high	9 Å²	9	19.6 Å²	19.6	9%	0.093	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-65.9	-7.5	166.6	0	0	0	0	0	115.1	Y273 V289	Y273-G291 VanDerWaalsContact CZ-CA 3.41Å; Y273-G291 VanDerWaalsContact OH-CA 3.29Å; Y273-G291 WeakPolarHBondContact OH-CA 3.3Å; V289-G291 PolarHBondContact O-N 3.45Å; V289-G291 VanDerWaalsContact O-N 3.14Å
292	L	96.8	Very high	97.9	Very high	50 Å²	50	11.6 Å²	11.6	26%	0.262	7%	0.065	S	C	.	.	G	3₁₀ helix	trans	-68.8	-38.1	-179.7	-179.8	67.5	0	0	0	113.4	V289 F290 L406 F407	V289-L292 WeakPolarHBondContact O-CB 3.49Å; V289-L292 PolarHBondContact O-N 2.97Å; F290-L292 PolarHBondContact O-N 3.36Å; L292-L406 HydrophobicContact CD1-CD2 3.93Å; L292-L406 HydrophobicContact CG-CD2 4.15Å; L292-F407 HydrophobicContact CB-CE1 4.22Å; L292-F407 HydrophobicContact CD1-CD1 4.06Å; L292-F407 HydrophobicContact CD1-CD2 4.11Å; L292-F407 HydrophobicContact CD1-CE1 3.45Å; L292-F407 VanDerWaalsContact CD1-CE1 3.45Å; L292-F407 HydrophobicContact CD1-CE2 3.5Å; L292-F407 VanDerWaalsContact CD1-CE2 3.5Å; L292-F407 HydrophobicContact CD1-CG 4.38Å; L292-F407 HydrophobicContact CD1-CZ 3.14Å; L292-F407 HydrophobicContact CG-CE1 4.44Å; L292-F407 HydrophobicContact CG-CZ 4.48Å; L292-F407 PolarHBondContact O-N 3.4Å
293	L	97.8	Very high	98	Very high	11 Å²	11	10.2 Å²	10.2	6%	0.058	6%	0.059	C	C	.	.			trans	-137.5	132.8	-171.6	-67.6	165.3	0	0	0	110.8	F198 Q201 G295 L296 G297 F405 L406	F198-L293 HydrophobicContact CE1-CD1 4.24Å; Q201-L293 VanDerWaalsContact OE1-CD1 3.24Å; L293-G295 PolarHBondContact O-N 2.91Å; L293-L296 HydrophobicContact CB-CD1 4.21Å; L293-L296 HydrophobicContact CB-CG 4.09Å; L293-L296 HydrophobicContact CD1-CD1 4.24Å; L293-L296 HydrophobicContact CD1-CG 4.48Å; L293-L296 WeakPolarHBondContact O-CB 3.41Å; L293-L296 PolarHBondContact O-N 3.01Å; L293-G297 PolarHBondContact O-N 2.91Å; L293-F405 HydrophobicContact CB-CE1 4.28Å; L293-F405 HydrophobicContact CD2-CD1 3.63Å; L293-F405 HydrophobicContact CD2-CE1 3.71Å; L293-L406 HydrophobicContact CD2-CD2 3.47Å; L293-L406 VanDerWaalsContact CD2-CD2 3.47Å; L293-L406 HydrophobicContact CD2-CG 4.35Å; L293-L406 HydrophobicContact CG-CD2 4.29Å
294	P	97.9	Very high	98.1	Very high	6 Å²	6	9.9 Å²	9.9	4%	0.039	6%	0.057	C	C	.	.	H	α-helix	trans	-53.9	-34	172.6	-28.9	34.8	0	0	0	113.8	L296 G297 L298 F405 V411	P294-L296 VanDerWaalsContact C-N 3.31Å; P294-L296 PolarHBondContact O-N 3.42Å; P294-G297 PolarHBondContact O-N 2.95Å; P294-L298 WeakPolarHBondContact O-CB 3.49Å; P294-L298 PolarHBondContact O-N 2.95Å; P294-F405 HydrophobicContact CB-CE2 3.8Å; P294-F405 HydrophobicContact CB-CZ 3.88Å; P294-F405 WeakPolarHBondContact CD-O 3.49Å; P294-F405 HydrophobicContact CG-CD2 3.93Å; P294-F405 HydrophobicContact CG-CE1 4.38Å; P294-F405 HydrophobicContact CG-CE2 3.71Å; P294-F405 HydrophobicContact CG-CG 4.37Å; P294-F405 HydrophobicContact CG-CZ 3.96Å; P294-V411 HydrophobicContact CB-CB 4.02Å; P294-V411 HydrophobicContact CB-CG1 3.68Å; P294-V411 HydrophobicContact CG-CB 3.71Å; P294-V411 HydrophobicContact CG-CG1 3.78Å; P294-V411 HydrophobicContact CG-CG2 4.27Å
295	G	98.3	Very high	98.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.1	-31.7	175.2	0	0	0	0	0	114.3	L293 Y299	L293-G295 PolarHBondContact O-N 2.91Å; G295-Y299 PolarHBondContact O-N 3.04Å
296	L	98.7	Very high	98.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-76.1	-40.4	173.7	-62.5	177.1	0	0	0	111.3	Q201 H202 F290 L293 P294 L298 Y299 A300	Q201-L296 HydrophobicContact CB-CD2 3.93Å; Q201-L296 HydrophobicContact CG-CD2 3.83Å; H202-L296 HydrophobicContact CB-CD2 3.94Å; F290-L296 HydrophobicContact CB-CB 4.01Å; F290-L296 HydrophobicContact CD1-CB 4.11Å; F290-L296 HydrophobicContact CD1-CD1 3.77Å; F290-L296 HydrophobicContact CD1-CD2 4.42Å; F290-L296 HydrophobicContact CD1-CG 4.33Å; F290-L296 HydrophobicContact CE1-CD1 4.28Å; F290-L296 HydrophobicContact CE1-CD2 4.31Å; F290-L296 HydrophobicContact CG-CB 3.99Å; F290-L296 HydrophobicContact CG-CD1 4.44Å; L293-L296 HydrophobicContact CB-CD1 4.21Å; L293-L296 HydrophobicContact CB-CG 4.09Å; L293-L296 HydrophobicContact CD1-CD1 4.24Å; L293-L296 HydrophobicContact CD1-CG 4.48Å; L293-L296 WeakPolarHBondContact O-CB 3.41Å; L293-L296 PolarHBondContact O-N 3.01Å; P294-L296 VanDerWaalsContact C-N 3.31Å; P294-L296 PolarHBondContact O-N 3.42Å; L296-L298 VanDerWaalsContact C-N 3.28Å; L296-L298 PolarHBondContact O-N 2.93Å; L296-Y299 PolarHBondContact O-N 2.72Å; L296-A300 WeakPolarHBondContact O-CB 3.29Å; L296-A300 PolarHBondContact O-N 3.1Å
297	G	98.3	Very high	98.2	Very high	5 Å²	5	10.2 Å²	10.2	5%	0.052	6%	0.057	C	C	.	.	H	α-helix	trans	-61.1	-35.5	172.4	0	0	0	0	0	113	L293 P294 A300 T301	L293-G297 PolarHBondContact O-N 2.91Å; P294-G297 PolarHBondContact O-N 2.95Å; G297-A300 PolarHBondContact O-N 2.67Å; G297-T301 WeakPolarHBondContact O-CB 3.46Å; G297-T301 PolarHBondContact O-N 3.32Å; G297-T301 PolarHBondContact O-OG1 3.31Å
298	L	98.8	Very high	98.3	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.8	-54.9	175.5	175.9	66.8	0	0	0	111.3	M195 P294 L296 A300 T301 L302 L412 V417 L420 V421 F424	M195-L298 HydrophobicContact SD-CD2 4.47Å; P294-L298 WeakPolarHBondContact O-CB 3.49Å; P294-L298 PolarHBondContact O-N 2.95Å; L296-L298 VanDerWaalsContact C-N 3.28Å; L296-L298 PolarHBondContact O-N 2.93Å; L298-A300 VanDerWaalsContact C-N 3.35Å; L298-A300 PolarHBondContact O-N 2.71Å; L298-T301 WeakPolarHBondContact O-CB 3.38Å; L298-T301 PolarHBondContact O-N 2.84Å; L298-T301 VanDerWaalsContact O-N 3.17Å; L298-L302 HydrophobicContact CG-CD1 4.34Å; L298-L302 WeakPolarHBondContact O-CG 3.34Å; L298-L302 PolarHBondContact O-N 2.98Å; L298-L412 HydrophobicContact CB-CD1 4.27Å; L298-L412 HydrophobicContact CD1-CD1 4.16Å; L298-V417 HydrophobicContact CD1-CB 4.13Å; L298-V417 HydrophobicContact CD1-CG1 3.84Å; L298-V417 HydrophobicContact CD1-CG2 4.14Å; L298-L420 HydrophobicContact CD1-CB 4.18Å; L298-L420 HydrophobicContact CD2-CB 4.07Å; L298-V421 HydrophobicContact CD1-CG2 4.15Å; L298-V421 HydrophobicContact CD2-CG2 4.01Å; L298-V421 HydrophobicContact CG-CG2 4.46Å; L298-F424 HydrophobicContact CD2-CD2 3.65Å; L298-F424 HydrophobicContact CD2-CE2 3.86Å
299	Y	98.9	Very high	98.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.1	-39.6	178.1	-85	-69	0	0	0	112.4	M195 F198 F199 H202 G295 L296 T301 L302 W303 L562	M195-Y299 HydrophobicContact CE-CE1 3.65Å; M195-Y299 HydrophobicContact CE-CE2 4.25Å; M195-Y299 VanDerWaalsContact CE-CZ 3.42Å; M195-Y299 WeakPolarHBondContact CE-OH 3.26Å; M195-Y299 VanDerWaalsContact CG-OH 3.28Å; M195-Y299 WeakPolarHBondContact CG-OH 3.43Å; M195-Y299 PolarHBondContact O-OH 3.36Å; M195-Y299 HydrophobicContact SD-CE1 4.45Å; M195-Y299 HydrophobicContact SD-CE2 4.01Å; M195-Y299 PolarHBondContact SD-OH 3.05Å; F198-Y299 HydrophobicContact CB-CD2 4.04Å; F198-Y299 HydrophobicContact CB-CE2 3.81Å; F199-Y299 HydrophobicContact CB-CE1 4.39Å; F199-Y299 HydrophobicContact CB-CE2 3.98Å; F199-Y299 WeakPolarHBondContact CB-OH 3.2Å; F199-Y299 HydrophobicContact CD2-CD1 4.28Å; F199-Y299 AromaticContact CD2-CE1 3.58Å; F199-Y299 HydrophobicContact CD2-CE1 3.58Å; F199-Y299 AromaticContact CD2-CZ 3.76Å; F199-Y299 HydrophobicContact CE2-CE1 4.43Å; F199-Y299 HydrophobicContact CG-CE1 4.46Å; H202-Y299 HydrophobicContact CB-CD2 4.32Å; H202-Y299 HydrophobicContact CB-CG 4.3Å; H202-Y299 WeakPolarHBondContact CD2-CB 3.44Å; H202-Y299 VanDerWaalsContact CG-CB 3.5Å; G295-Y299 PolarHBondContact O-N 3.04Å; L296-Y299 PolarHBondContact O-N 2.72Å; Y299-T301 PolarHBondContact O-N 3.05Å; Y299-L302 HydrophobicContact CD1-CD1 4.25Å; Y299-L302 HydrophobicContact CE1-CD1 4.47Å; Y299-L302 PolarHBondContact O-N 3.23Å; Y299-W303 PolarHBondContact O-N 3.32Å; Y299-L562 HydrophobicContact CE1-CD1 4.33Å
300	A	98.8	Very high	98.4	Very high	6 Å²	6	9 Å²	9	5%	0.05	5%	0.046	C	C	.	.	H	α-helix	trans	-58.8	-38.7	174.3	0	0	0	0	0	111.9	H202 I285 F290 L296 G297 L298 L304	H202-A300 PolarHBondContact NE2-N 2.79Å; I285-A300 HydrophobicContact CD1-CB 3.86Å; I285-A300 HydrophobicContact CG1-CB 4.21Å; I285-A300 HydrophobicContact CG2-CB 3.71Å; F290-A300 HydrophobicContact CD2-CB 4.42Å; L296-A300 WeakPolarHBondContact O-CB 3.29Å; L296-A300 PolarHBondContact O-N 3.1Å; G297-A300 PolarHBondContact O-N 2.67Å; L298-A300 VanDerWaalsContact C-N 3.35Å; L298-A300 PolarHBondContact O-N 2.71Å; A300-L304 VanDerWaalsContact O-CB 3.25Å; A300-L304 WeakPolarHBondContact O-CB 3.29Å; A300-L304 PolarHBondContact O-N 3.09Å
301	T	98.9	Very high	98.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.9	-47.3	175.4	-57.6	0	0	0	0	111.6	M259 Y260 P261 G297 L298 Y299 W303 L304 R305 V417	M259-T301 WeakPolarHBondContact O-CG2 3.17Å; Y260-T301 HydrophobicContact CD1-CG2 3.88Å; Y260-T301 HydrophobicContact CE1-CG2 4.31Å; P261-T301 VanDerWaalsContact CD-OG1 3.26Å; P261-T301 WeakPolarHBondContact CD-OG1 3.25Å; G297-T301 WeakPolarHBondContact O-CB 3.46Å; G297-T301 PolarHBondContact O-N 3.32Å; G297-T301 PolarHBondContact O-OG1 3.31Å; L298-T301 WeakPolarHBondContact O-CB 3.38Å; L298-T301 PolarHBondContact O-N 2.84Å; L298-T301 VanDerWaalsContact O-N 3.17Å; Y299-T301 PolarHBondContact O-N 3.05Å; T301-W303 PolarHBondContact O-N 2.88Å; T301-L304 PolarHBondContact O-N 3.37Å; T301-R305 VanDerWaalsContact O-CG 3.32Å; T301-R305 WeakPolarHBondContact O-CG 3.35Å; T301-R305 PolarHBondContact O-N 3.48Å; T301-V417 HydrophobicContact CG2-CG2 4Å
302	L	98.9	Very high	98.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.5	-46.5	178.3	-74	170.6	0	0	0	112	M195 L298 Y299 R305 E306 V417 V421 V566	M195-L302 HydrophobicContact CE-CD1 4.23Å; L298-L302 HydrophobicContact CG-CD1 4.34Å; L298-L302 WeakPolarHBondContact O-CG 3.34Å; L298-L302 PolarHBondContact O-N 2.98Å; Y299-L302 HydrophobicContact CD1-CD1 4.25Å; Y299-L302 HydrophobicContact CE1-CD1 4.47Å; Y299-L302 PolarHBondContact O-N 3.23Å; L302-R305 PolarHBondContact O-N 3.42Å; L302-E306 PolarHBondContact O-N 2.82Å; L302-V417 HydrophobicContact CD2-CG1 3.66Å; L302-V417 HydrophobicContact CG-CG1 4.26Å; L302-V421 HydrophobicContact CD1-CG2 4.4Å; L302-V566 HydrophobicContact CD1-CG2 3.94Å; L302-V566 HydrophobicContact CD2-CG2 4.27Å
303	W	98.9	Very high	98.7	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-71.1	-31.8	179.7	-74.8	115.2	0	0	0	113.7	H202 I231 Y299 T301 E306 H307 V334 E337 T338 I341 L565	H202-W303 AromaticContact CE1-CD1 3.31Å; H202-W303 AromaticContact CE1-NE1 3.76Å; I231-W303 HydrophobicContact CD1-CB 3.56Å; I231-W303 HydrophobicContact CD1-CD2 4.17Å; I231-W303 HydrophobicContact CD1-CG 3.73Å; I231-W303 HydrophobicContact CG1-CB 3.96Å; I231-W303 HydrophobicContact CG1-CG 4.41Å; Y299-W303 PolarHBondContact O-N 3.32Å; T301-W303 PolarHBondContact O-N 2.88Å; W303-E306 HydrophobicContact CE3-CB 4.43Å; W303-E306 HydrophobicContact CE3-CG 4.49Å; W303-H307 WeakPolarHBondContact O-CB 3.35Å; W303-H307 PolarHBondContact O-N 2.97Å; W303-V334 HydrophobicContact CE3-CG1 3.83Å; W303-V334 HydrophobicContact CZ3-CG1 4Å; W303-E337 HydrophobicContact CH2-CB 4.37Å; W303-E337 HydrophobicContact CZ3-CB 4.32Å; W303-T338 WeakPolarHBondContact CH2-OG1 3.24Å; W303-I341 HydrophobicContact CH2-CD1 4.16Å; W303-L565 HydrophobicContact CD2-CD1 4.19Å; W303-L565 HydrophobicContact CD2-CD2 4.24Å; W303-L565 HydrophobicContact CE3-CD1 3.84Å; W303-L565 HydrophobicContact CE3-CD2 4.46Å; W303-L565 HydrophobicContact CH2-CD1 4.26Å; W303-L565 HydrophobicContact CH2-CD2 3.82Å; W303-L565 HydrophobicContact CZ2-CD2 3.53Å; W303-L565 HydrophobicContact CZ3-CD1 3.87Å; W303-L565 HydrophobicContact CZ3-CD2 4.26Å
304	L	98.9	Very high	98.8	Very high	12 Å²	12	11.5 Å²	11.5	6%	0.063	6%	0.059	C	C	.	.	H	α-helix	trans	-65.1	-44	171.8	174.7	150.1	0	0	0	111.2	L250 M259 P261 A300 T301 H307 N308	L250-L304 HydrophobicContact CB-CG 4.5Å; M259-L304 HydrophobicContact CG-CD2 3.8Å; M259-L304 HydrophobicContact SD-CD2 3.55Å; M259-L304 VanDerWaalsContact SD-CD2 3.55Å; P261-L304 HydrophobicContact CB-CD1 4.21Å; P261-L304 HydrophobicContact CG-CD1 4.33Å; A300-L304 VanDerWaalsContact O-CB 3.25Å; A300-L304 WeakPolarHBondContact O-CB 3.29Å; A300-L304 PolarHBondContact O-N 3.09Å; T301-L304 PolarHBondContact O-N 3.37Å; L304-H307 PolarHBondContact O-N 3.39Å; L304-N308 PolarHBondContact O-N 3.14Å; L304-N308 VanDerWaalsContact O-N 3.08Å
305	R	98.9	Very high	98.8	Very high	18 Å²	18	14.1 Å²	14.1	7%	0.068	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-45.8	175.9	-70	177.2	-175.9	-154.4	-3.7	110.7	E258 M259 T301 L302 H307 N308 R309 N569	E258-R305 IonicContact OE2-CZ 2.66Å; E258-R305 VanDerWaalsContact OE2-CZ 3.22Å; E258-R305 IonicContact OE2-NH1 3.85Å; E258-R305 PolarHBondContact OE2-NH1 3.02Å; E258-R305 IonicContact OE2-NH2 3.87Å; E258-R305 PolarHBondContact OE2-NH2 3.2Å; M259-R305 HydrophobicContact CB-CG 4.24Å; M259-R305 HydrophobicContact CG-CG 4.32Å; M259-R305 VanDerWaalsContact O-CZ 3.27Å; M259-R305 PolarHBondContact O-NE 3.44Å; M259-R305 PolarHBondContact O-NH2 3.32Å; M259-R305 HydrophobicContact SD-CG 4.01Å; T301-R305 VanDerWaalsContact O-CG 3.32Å; T301-R305 WeakPolarHBondContact O-CG 3.35Å; T301-R305 PolarHBondContact O-N 3.48Å; L302-R305 PolarHBondContact O-N 3.42Å; R305-H307 PolarHBondContact O-N 3.08Å; R305-N308 PolarHBondContact O-N 2.68Å; R305-R309 WeakPolarHBondContact O-CB 3.44Å; R305-R309 PolarHBondContact O-N 3.04Å; R305-N569 HydrophobicContact CB-CB 3.75Å; R305-N569 WeakPolarHBondContact CB-OD1 3.35Å; R305-N569 WeakPolarHBondContact CD-O 3.44Å; R305-N569 PolarHBondContact NH1-O 3.2Å; R305-N569 PolarHBondContact O-OD1 3.41Å
306	E	98.9	Very high	98.8	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-44.3	177.9	-177.8	56	-158	0	0	111.9	L302 W303 N308 R309 V310 L565 N569	L302-E306 PolarHBondContact O-N 2.82Å; W303-E306 HydrophobicContact CE3-CB 4.43Å; W303-E306 HydrophobicContact CE3-CG 4.49Å; E306-N308 PolarHBondContact O-N 2.87Å; E306-R309 PolarHBondContact O-N 2.71Å; E306-R309 IonicContact OE1-CZ 2.66Å; E306-R309 IonicContact OE1-NE 2.7Å; E306-R309 PolarHBondContact OE1-NE 2.95Å; E306-R309 IonicContact OE1-NH2 3.45Å; E306-R309 PolarHBondContact OE1-NH2 3Å; E306-R309 IonicContact OE2-CZ 2.84Å; E306-R309 IonicContact OE2-NE 3.37Å; E306-R309 PolarHBondContact OE2-NE 2.82Å; E306-R309 IonicContact OE2-NH2 3.46Å; E306-V310 HydrophobicContact CG-CG2 4.36Å; E306-V310 WeakPolarHBondContact O-CB 3.22Å; E306-V310 VanDerWaalsContact O-CG2 3.3Å; E306-V310 WeakPolarHBondContact O-CG2 3.41Å; E306-V310 PolarHBondContact O-N 3.05Å; E306-V310 WeakPolarHBondContact OE1-CG2 3.31Å; E306-L565 HydrophobicContact CB-CD1 3.7Å; E306-L565 HydrophobicContact CG-CD1 3.9Å; E306-N569 WeakPolarHBondContact CA-OD1 3.44Å; E306-N569 PolarHBondContact N-OD1 2.58Å; E306-N569 PolarHBondContact OE2-ND2 3.08Å
307	H	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-52	174.9	176.5	82.3	0	0	0	111.3	Y232 G248 L250 W303 L304 R305 R309 V310 C311 F327 T330	Y232-H307 AromaticContact CE1-CE1 3.7Å; Y232-H307 AromaticContact CE1-ND1 3.51Å; Y232-H307 AromaticContact CZ-ND1 3.63Å; Y232-H307 PolarHBondContact OH-ND1 2.86Å; G248-H307 PolarHBondContact O-NE2 2.77Å; L250-H307 HydrophobicContact CD1-CB 4.34Å; L250-H307 VanDerWaalsContact CG-CD2 3.49Å; L250-H307 WeakPolarHBondContact CG-CD2 3.28Å; W303-H307 WeakPolarHBondContact O-CB 3.35Å; W303-H307 PolarHBondContact O-N 2.97Å; L304-H307 PolarHBondContact O-N 3.39Å; R305-H307 PolarHBondContact O-N 3.08Å; H307-R309 VanDerWaalsContact C-N 3.31Å; H307-R309 PolarHBondContact O-N 3.19Å; H307-V310 PolarHBondContact O-N 2.77Å; H307-C311 PolarHBondContact O-N 3.26Å; H307-C311 PolarHBondContact O-SG 2.79Å; H307-C311 VanDerWaalsContact O-SG 3.34Å; H307-F327 AromaticContact CE1-CD2 3.63Å; H307-F327 AromaticContact CE1-CE2 3.9Å; H307-F327 AromaticContact NE2-CD2 3.68Å; H307-T330 HydrophobicContact CB-CG2 4.34Å; H307-T330 WeakPolarHBondContact ND1-CG2 3.38Å; H307-T330 WeakPolarHBondContact O-CG2 3.21Å
308	N	98.9	Very high	98.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-34.6	-179	-74.9	-6.4	0	0	0	112.5	K249 L250 M259 L304 R305 E306 C311 D312	K249-N308 WeakPolarHBondContact CA-OD1 3.37Å; K249-N308 VanDerWaalsContact CB-OD1 3.32Å; K249-N308 WeakPolarHBondContact CB-OD1 3.45Å; K249-N308 HydrophobicContact CD-CB 4.34Å; K249-N308 HydrophobicContact CG-CB 4.44Å; L250-N308 PolarHBondContact N-OD1 3.07Å; L250-N308 PolarHBondContact O-ND2 3.12Å; M259-N308 HydrophobicContact SD-CB 4.48Å; L304-N308 PolarHBondContact O-N 3.14Å; L304-N308 VanDerWaalsContact O-N 3.08Å; R305-N308 PolarHBondContact O-N 2.68Å; E306-N308 PolarHBondContact O-N 2.87Å; N308-C311 WeakPolarHBondContact O-CB 3.2Å; N308-C311 PolarHBondContact O-N 2.72Å; N308-D312 PolarHBondContact O-N 2.97Å; N308-D312 VanDerWaalsContact O-N 3.14Å
309	R	98.9	Very high	98.8	Very high	63 Å²	63	29.1 Å²	29.1	24%	0.238	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-44.1	174.3	-169	-163.9	72.4	70.9	1.3	111.7	R305 E306 H307 D312 V313	R305-R309 WeakPolarHBondContact O-CB 3.44Å; R305-R309 PolarHBondContact O-N 3.04Å; E306-R309 PolarHBondContact O-N 2.71Å; E306-R309 IonicContact OE1-CZ 2.66Å; E306-R309 IonicContact OE1-NE 2.7Å; E306-R309 PolarHBondContact OE1-NE 2.95Å; E306-R309 IonicContact OE1-NH2 3.45Å; E306-R309 PolarHBondContact OE1-NH2 3Å; E306-R309 IonicContact OE2-CZ 2.84Å; E306-R309 IonicContact OE2-NE 3.37Å; E306-R309 PolarHBondContact OE2-NE 2.82Å; E306-R309 IonicContact OE2-NH2 3.46Å; H307-R309 VanDerWaalsContact C-N 3.31Å; H307-R309 PolarHBondContact O-N 3.19Å; R309-D312 WeakPolarHBondContact O-CB 3.4Å; R309-D312 PolarHBondContact O-N 3.23Å; R309-V313 WeakPolarHBondContact O-CG2 3.38Å; R309-V313 PolarHBondContact O-N 3.16Å; R309-V313 VanDerWaalsContact O-N 3.13Å
310	V	98.9	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-37.6	177.4	173.3	0	0	0	0	111	E306 H307 D312 V313 L314 T330 I333 I556	E306-V310 HydrophobicContact CG-CG2 4.36Å; E306-V310 WeakPolarHBondContact O-CB 3.22Å; E306-V310 VanDerWaalsContact O-CG2 3.3Å; E306-V310 WeakPolarHBondContact O-CG2 3.41Å; E306-V310 PolarHBondContact O-N 3.05Å; E306-V310 WeakPolarHBondContact OE1-CG2 3.31Å; H307-V310 PolarHBondContact O-N 2.77Å; V310-D312 VanDerWaalsContact C-N 3.29Å; V310-D312 PolarHBondContact O-N 3.13Å; V310-V313 PolarHBondContact O-N 3.25Å; V310-L314 HydrophobicContact CG1-CD1 4.21Å; V310-L314 HydrophobicContact CG1-CG 4.29Å; V310-L314 WeakPolarHBondContact O-CG 3.18Å; V310-L314 PolarHBondContact O-N 3.22Å; V310-T330 HydrophobicContact CB-CG2 3.74Å; V310-T330 HydrophobicContact CG1-CG2 3.68Å; V310-I333 HydrophobicContact CG1-CB 4.25Å; V310-I333 HydrophobicContact CG1-CD1 3.62Å; V310-I333 HydrophobicContact CG1-CG2 4.04Å; V310-I333 HydrophobicContact CG2-CG2 4.39Å; V310-I556 HydrophobicContact CG1-CD1 4.48Å; V310-I556 HydrophobicContact CG2-CD1 4.37Å; V310-I556 HydrophobicContact CG2-CG2 4.44Å
311	C	98.9	Very high	98.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-43.1	171.1	-72.3	0	0	0	0	111.8	D247 G248 K249 H307 N308 L314 K315 T330	D247-C311 WeakPolarHBondContact O-CB 3.15Å; G248-C311 VanDerWaalsContact C-SG 3.59Å; G248-C311 PolarHBondContact O-SG 2.95Å; K249-C311 HydrophobicContact CG-CB 4Å; H307-C311 PolarHBondContact O-N 3.26Å; H307-C311 PolarHBondContact O-SG 2.79Å; H307-C311 VanDerWaalsContact O-SG 3.34Å; N308-C311 WeakPolarHBondContact O-CB 3.2Å; N308-C311 PolarHBondContact O-N 2.72Å; C311-L314 PolarHBondContact O-N 3.26Å; C311-K315 VanDerWaalsContact O-CB 3.31Å; C311-K315 WeakPolarHBondContact O-CB 3.46Å; C311-K315 PolarHBondContact O-N 2.89Å; C311-T330 PolarHBondContact SG-OG1 3.16Å
312	D	98.9	Very high	98.8	Very high	80 Å²	80	41.5 Å²	41.5	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-42	176.6	-73.8	-38.7	0	0	0	112.3	K249 N308 R309 V310 K315 A316	K249-D312 WeakPolarHBondContact CE-OD1 3.46Å; K249-D312 IonicContact NZ-OD1 3.67Å; K249-D312 PolarHBondContact NZ-OD1 3.26Å; K249-D312 IonicContact NZ-OD2 3.36Å; K249-D312 PolarHBondContact NZ-OD2 2.91Å; N308-D312 PolarHBondContact O-N 2.97Å; N308-D312 VanDerWaalsContact O-N 3.14Å; R309-D312 WeakPolarHBondContact O-CB 3.4Å; R309-D312 PolarHBondContact O-N 3.23Å; V310-D312 VanDerWaalsContact C-N 3.29Å; V310-D312 PolarHBondContact O-N 3.13Å; D312-K315 PolarHBondContact O-N 3.12Å; D312-A316 PolarHBondContact O-N 3.19Å; D312-A316 VanDerWaalsContact O-N 3.08Å
313	V	98.8	Very high	98.8	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.267	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-47.1	175.2	174.4	0	0	0	0	111.1	R309 V310 A316 E317 V552 I556	R309-V313 WeakPolarHBondContact O-CG2 3.38Å; R309-V313 PolarHBondContact O-N 3.16Å; R309-V313 VanDerWaalsContact O-N 3.13Å; V310-V313 PolarHBondContact O-N 3.25Å; V313-A316 PolarHBondContact O-N 2.69Å; V313-E317 PolarHBondContact O-N 3.49Å; V313-E317 VanDerWaalsContact O-N 3.1Å; V313-V552 HydrophobicContact CG1-CG1 3.55Å; V313-I556 HydrophobicContact CG1-CD1 4.22Å
314	L	98.9	Very high	98.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-36.2	179.6	-70.4	-179.7	0	0	0	112.3	V310 C311 A316 E317 H318 W321 L326 T329 T330 I333	V310-L314 HydrophobicContact CG1-CD1 4.21Å; V310-L314 HydrophobicContact CG1-CG 4.29Å; V310-L314 WeakPolarHBondContact O-CG 3.18Å; V310-L314 PolarHBondContact O-N 3.22Å; C311-L314 PolarHBondContact O-N 3.26Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.91Å; L314-E317 PolarHBondContact O-N 2.83Å; L314-H318 WeakPolarHBondContact O-CA 3.3Å; L314-H318 WeakPolarHBondContact O-CB 3.24Å; L314-H318 PolarHBondContact O-CD2 3.04Å; L314-H318 PolarHBondContact O-N 2.85Å; L314-W321 HydrophobicContact CD1-CZ3 4.46Å; L314-L326 HydrophobicContact CB-CD2 3.65Å; L314-T329 HydrophobicContact CD1-CG2 3.76Å; L314-T329 HydrophobicContact CD2-CG2 4.48Å; L314-T330 WeakPolarHBondContact CD1-OG1 3.37Å; L314-I333 HydrophobicContact CD1-CD1 3.96Å; L314-I333 HydrophobicContact CD2-CD1 4.15Å; L314-I333 HydrophobicContact CG-CD1 4.32Å
315	K	98.8	Very high	98.8	Very high	61 Å²	61	50.1 Å²	50.1	27%	0.265	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-36.3	176.9	-175.2	57	167.8	173.7	0	111.9	C311 D312 H318 P319 W321 L326	C311-K315 VanDerWaalsContact O-CB 3.31Å; C311-K315 WeakPolarHBondContact O-CB 3.46Å; C311-K315 PolarHBondContact O-N 2.89Å; D312-K315 PolarHBondContact O-N 3.12Å; K315-H318 CarbonylContact O-C 3.43Å; K315-P319 PolarHBondContact NZ-O 3.16Å; K315-P319 WeakPolarHBondContact O-CA 3.29Å; K315-W321 PolarHBondContact NZ-O 3.49Å; K315-L326 HydrophobicContact CB-CD1 4.42Å; K315-L326 HydrophobicContact CB-CD2 4.25Å; K315-L326 HydrophobicContact CD-CD1 3.8Å
316	A	98.7	Very high	98.8	Very high	85 Å²	85	49.2 Å²	49.2	70%	0.702	27%	0.266	S	S	*	.	H	α-helix	trans	-67.2	-42.2	174.9	0	0	0	0	0	112	D312 V313 L314	D312-A316 PolarHBondContact O-N 3.19Å; D312-A316 VanDerWaalsContact O-N 3.08Å; V313-A316 PolarHBondContact O-N 2.69Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 2.91Å
317	E	98.5	Very high	98.8	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-70.6	-37.5	177	-170.4	68.4	-169.8	0	0	112	V313 L314 P319	V313-E317 PolarHBondContact O-N 3.49Å; V313-E317 VanDerWaalsContact O-N 3.1Å; L314-E317 PolarHBondContact O-N 2.83Å; E317-P319 WeakPolarHBondContact O-CD 3.24Å
318	H	98.6	Very high	98.8	Very high	38 Å²	38	52.3 Å²	52.3	18%	0.176	28%	0.28	C	S	.	.			trans	-125.8	73	-173.6	-55.2	-72.2	0	0	0	111.6	L314 K315 T320 W321 G549	L314-H318 WeakPolarHBondContact O-CA 3.3Å; L314-H318 WeakPolarHBondContact O-CB 3.24Å; L314-H318 PolarHBondContact O-CD2 3.04Å; L314-H318 PolarHBondContact O-N 2.85Å; K315-H318 CarbonylContact O-C 3.43Å; H318-T320 PolarHBondContact O-N 3.43Å; H318-T320 VanDerWaalsContact O-N 3.08Å; H318-W321 HydrophobicContact CB-CB 4.07Å; H318-W321 HydrophobicContact CB-CD2 3.39Å; H318-W321 HydrophobicContact CB-CE3 3.95Å; H318-W321 HydrophobicContact CB-CG 3.43Å; H318-W321 VanDerWaalsContact CB-CG 3.43Å; H318-W321 HydrophobicContact CB-CZ2 4.41Å; H318-W321 AromaticContact CD2-CE2 3.91Å; H318-W321 AromaticContact CD2-CE3 3.99Å; H318-W321 AromaticContact CD2-CH2 3.84Å; H318-W321 AromaticContact CD2-CZ2 3.82Å; H318-W321 AromaticContact CD2-CZ3 3.88Å; H318-W321 AromaticContact CE1-CZ2 3.98Å; H318-W321 AromaticContact CG-CD2 3.66Å; H318-W321 AromaticContact CG-CE2 3.46Å; H318-W321 VanDerWaalsContact CG-CE2 3.46Å; H318-W321 AromaticContact CG-CZ2 3.76Å; H318-W321 AromaticContact CG-NE1 3.78Å; H318-W321 AromaticContact ND1-CE2 3.73Å; H318-W321 AromaticContact ND1-CZ2 3.86Å; H318-W321 AromaticContact ND1-NE1 3.81Å; H318-W321 AromaticContact NE2-CZ2 3.95Å; H318-W321 PolarHBondContact O-N 3.34Å; H318-G549 PolarHBondContact CE1-O 2.83Å; H318-G549 PolarHBondContact NE2-O 3.29Å
319	P	98.5	Very high	98.8	Very high	90 Å²	90	52.8 Å²	52.8	58%	0.584	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.2	-176.2	23.2	-33.9	0	0	0	113.2	K315 E317	K315-P319 PolarHBondContact NZ-O 3.16Å; K315-P319 WeakPolarHBondContact O-CA 3.29Å; E317-P319 WeakPolarHBondContact O-CD 3.24Å
320	T	98.6	Very high	98.8	Very high	131 Å²	131	49.8 Å²	49.8	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.3	179.9	57.3	0	0	0	0	114.4	H318	H318-T320 PolarHBondContact O-N 3.43Å; H318-T320 VanDerWaalsContact O-N 3.08Å
321	W	98.7	Very high	98.8	Very high	37 Å²	37	52 Å²	52	14%	0.14	28%	0.28	C	S	.	.			trans	-71.3	141.9	177	-73.2	8	0	0	0	111.3	L314 K315 H318 Q325 L326 T329 G549	L314-W321 HydrophobicContact CD1-CZ3 4.46Å; K315-W321 PolarHBondContact NZ-O 3.49Å; H318-W321 HydrophobicContact CB-CB 4.07Å; H318-W321 HydrophobicContact CB-CD2 3.39Å; H318-W321 HydrophobicContact CB-CE3 3.95Å; H318-W321 HydrophobicContact CB-CG 3.43Å; H318-W321 VanDerWaalsContact CB-CG 3.43Å; H318-W321 HydrophobicContact CB-CZ2 4.41Å; H318-W321 AromaticContact CD2-CE2 3.91Å; H318-W321 AromaticContact CD2-CE3 3.99Å; H318-W321 AromaticContact CD2-CH2 3.84Å; H318-W321 AromaticContact CD2-CZ2 3.82Å; H318-W321 AromaticContact CD2-CZ3 3.88Å; H318-W321 AromaticContact CE1-CZ2 3.98Å; H318-W321 AromaticContact CG-CD2 3.66Å; H318-W321 AromaticContact CG-CE2 3.46Å; H318-W321 VanDerWaalsContact CG-CE2 3.46Å; H318-W321 AromaticContact CG-CZ2 3.76Å; H318-W321 AromaticContact CG-NE1 3.78Å; H318-W321 AromaticContact ND1-CE2 3.73Å; H318-W321 AromaticContact ND1-CZ2 3.86Å; H318-W321 AromaticContact ND1-NE1 3.81Å; H318-W321 AromaticContact NE2-CZ2 3.95Å; H318-W321 PolarHBondContact O-N 3.34Å; W321-Q325 HydrophobicContact CD2-CG 3.83Å; W321-Q325 HydrophobicContact CE3-CG 3.83Å; W321-Q325 HydrophobicContact CG-CG 4.22Å; W321-Q325 HydrophobicContact CH2-CG 4.44Å; W321-Q325 HydrophobicContact CZ3-CG 4.15Å; W321-L326 HydrophobicContact CB-CD2 4.24Å; W321-L326 HydrophobicContact CB-CG 4.05Å; W321-L326 HydrophobicContact CE3-CD2 3.96Å; W321-L326 HydrophobicContact CE3-CG 4.43Å; W321-T329 HydrophobicContact CH2-CG2 4.07Å; W321-T329 HydrophobicContact CZ3-CG2 3.85Å; W321-T329 WeakPolarHBondContact CZ3-OG1 3.28Å; W321-G549 VanDerWaalsContact CH2-CA 3.42Å
322	D	98.7	Very high	98.8	Very high	98 Å²	98	54 Å²	54	52%	0.524	29%	0.291	S	S	.	.			trans	-82.4	174.8	174.8	68.2	13.5	0	0	0	111.8	E324 Q325 L326	D322-E324 VanDerWaalsContact C-N 3.31Å; D322-E324 PolarHBondContact O-N 3.32Å; D322-E324 PolarHBondContact OD1-N 2.84Å; D322-Q325 WeakPolarHBondContact OD1-CB 3.4Å; D322-Q325 PolarHBondContact OD1-N 2.92Å; D322-L326 WeakPolarHBondContact O-CB 3.26Å; D322-L326 VanDerWaalsContact O-CD1 3.29Å; D322-L326 WeakPolarHBondContact O-CD1 3.39Å; D322-L326 VanDerWaalsContact O-CG 3.23Å; D322-L326 WeakPolarHBondContact O-CG 3.32Å; D322-L326 PolarHBondContact O-N 3.07Å
323	D	98.8	Very high	98.8	Very high	29 Å²	29	50.2 Å²	50.2	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-42.2	179.5	177	80.9	0	0	0	112.7	R243 F245 K246 D247 G248 L326 F327	R243-D323 IonicContact CZ-OD2 2.7Å; R243-D323 IonicContact NE-OD2 2.8Å; R243-D323 IonicContact NH2-OD2 2.68Å; R243-D323 PolarHBondContact NH2-OD2 3.24Å; F245-D323 VanDerWaalsContact C-CG 3.45Å; F245-D323 WeakPolarHBondContact CA-OD1 3.23Å; F245-D323 WeakPolarHBondContact CA-OD2 3.38Å; K246-D323 VanDerWaalsContact CA-OD1 3.27Å; K246-D323 WeakPolarHBondContact CA-OD1 3.09Å; K246-D323 PolarHBondContact N-OD1 2.96Å; D247-D323 PolarHBondContact N-OD1 3.22Å; G248-D323 VanDerWaalsContact CA-O 3.24Å; G248-D323 WeakPolarHBondContact CA-O 3.49Å; G248-D323 WeakPolarHBondContact CA-OD1 3.49Å; G248-D323 PolarHBondContact N-OD1 3.08Å; D323-L326 PolarHBondContact O-N 3.18Å; D323-F327 WeakPolarHBondContact O-CB 3.12Å; D323-F327 PolarHBondContact O-N 2.94Å
324	E	98.9	Very high	98.8	Very high	79 Å²	79	48.1 Å²	48.1	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-47.6	-175.2	-174	62	-148.4	0	0	111.1	R243 D322 L326 F327 Q328	R243-E324 IonicContact CZ-OE2 3.7Å; R243-E324 IonicContact NH1-OE1 3.71Å; R243-E324 IonicContact NH1-OE2 3.43Å; R243-E324 PolarHBondContact NH1-OE2 3.07Å; R243-E324 IonicContact NH2-OE2 3.23Å; R243-E324 PolarHBondContact NH2-OE2 3.33Å; D322-E324 VanDerWaalsContact C-N 3.31Å; D322-E324 PolarHBondContact O-N 3.32Å; D322-E324 PolarHBondContact OD1-N 2.84Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.65Å; E324-F327 PolarHBondContact O-N 3.1Å; E324-Q328 HydrophobicContact CG-CG 4.43Å; E324-Q328 WeakPolarHBondContact O-CG 3.34Å; E324-Q328 PolarHBondContact O-N 3.18Å; E324-Q328 WeakPolarHBondContact OE1-CG 3.23Å; E324-Q328 PolarHBondContact OE1-NE2 3.47Å
325	Q	98.8	Very high	98.8	Very high	86 Å²	86	48.7 Å²	48.7	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-39.1	179.5	-171.2	172.5	6.7	0	0	111.7	W321 D322 T329	W321-Q325 HydrophobicContact CD2-CG 3.83Å; W321-Q325 HydrophobicContact CE3-CG 3.83Å; W321-Q325 HydrophobicContact CG-CG 4.22Å; W321-Q325 HydrophobicContact CH2-CG 4.44Å; W321-Q325 HydrophobicContact CZ3-CG 4.15Å; D322-Q325 WeakPolarHBondContact OD1-CB 3.4Å; D322-Q325 PolarHBondContact OD1-N 2.92Å; Q325-T329 VanDerWaalsContact O-CB 3.26Å; Q325-T329 WeakPolarHBondContact O-CB 3.42Å; Q325-T329 PolarHBondContact O-N 2.82Å; Q325-T329 PolarHBondContact O-OG1 3.49Å
326	L	98.9	Very high	98.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-47.4	174.1	-71.2	162.7	0	0	0	111.4	L314 K315 W321 D322 D323 E324 T330	L314-L326 HydrophobicContact CB-CD2 3.65Å; K315-L326 HydrophobicContact CB-CD1 4.42Å; K315-L326 HydrophobicContact CB-CD2 4.25Å; K315-L326 HydrophobicContact CD-CD1 3.8Å; W321-L326 HydrophobicContact CB-CD2 4.24Å; W321-L326 HydrophobicContact CB-CG 4.05Å; W321-L326 HydrophobicContact CE3-CD2 3.96Å; W321-L326 HydrophobicContact CE3-CG 4.43Å; D322-L326 WeakPolarHBondContact O-CB 3.26Å; D322-L326 VanDerWaalsContact O-CD1 3.29Å; D322-L326 WeakPolarHBondContact O-CD1 3.39Å; D322-L326 VanDerWaalsContact O-CG 3.23Å; D322-L326 WeakPolarHBondContact O-CG 3.32Å; D322-L326 PolarHBondContact O-N 3.07Å; D323-L326 PolarHBondContact O-N 3.18Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.65Å; L326-T330 VanDerWaalsContact O-CB 3.24Å; L326-T330 WeakPolarHBondContact O-CB 3.22Å; L326-T330 PolarHBondContact O-N 2.96Å; L326-T330 PolarHBondContact O-OG1 3.29Å
327	F	98.9	Very high	98.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-50.4	179.6	174.9	-98	0	0	0	111.7	Y232 Q239 R243 G248 L250 H307 D323 E324 T330 R331	Y232-F327 AromaticContact CD1-CE2 3.7Å; Y232-F327 HydrophobicContact CD1-CE2 3.7Å; Y232-F327 AromaticContact CD1-CZ 3.65Å; Y232-F327 HydrophobicContact CD1-CZ 3.65Å; Y232-F327 AromaticContact CE1-CE2 3.91Å; Y232-F327 HydrophobicContact CE1-CE2 3.91Å; Y232-F327 HydrophobicContact CE1-CZ 4.2Å; Y232-F327 HydrophobicContact CG-CZ 4.29Å; Q239-F327 VanDerWaalsContact CD-CE1 3.49Å; Q239-F327 HydrophobicContact CG-CE1 4.08Å; Q239-F327 HydrophobicContact CG-CZ 3.71Å; R243-F327 HydrophobicContact CG-CD2 3.89Å; R243-F327 HydrophobicContact CG-CE2 3.6Å; R243-F327 HydrophobicContact CG-CZ 4.02Å; G248-F327 WeakPolarHBondContact O-CD2 3.47Å; L250-F327 HydrophobicContact CD2-CE2 4.09Å; H307-F327 AromaticContact CE1-CD2 3.63Å; H307-F327 AromaticContact CE1-CE2 3.9Å; H307-F327 AromaticContact NE2-CD2 3.68Å; D323-F327 WeakPolarHBondContact O-CB 3.12Å; D323-F327 PolarHBondContact O-N 2.94Å; E324-F327 PolarHBondContact O-N 3.1Å; F327-T330 PolarHBondContact O-N 2.94Å; F327-R331 PolarHBondContact O-N 3.28Å
328	Q	98.9	Very high	98.8	Very high	67 Å²	67	37.1 Å²	37.1	31%	0.313	19%	0.193	S	C	.	.	H	α-helix	trans	-68.2	-41.7	-176.9	-63.5	-61.6	-16.1	0	0	112.1	E324 T330 R331 L332	E324-Q328 HydrophobicContact CG-CG 4.43Å; E324-Q328 WeakPolarHBondContact O-CG 3.34Å; E324-Q328 PolarHBondContact O-N 3.18Å; E324-Q328 WeakPolarHBondContact OE1-CG 3.23Å; E324-Q328 PolarHBondContact OE1-NE2 3.47Å; Q328-T330 VanDerWaalsContact C-N 3.34Å; Q328-T330 PolarHBondContact O-N 3.45Å; Q328-R331 PolarHBondContact O-N 3.48Å; Q328-L332 WeakPolarHBondContact O-CG 3.34Å; Q328-L332 PolarHBondContact O-N 2.94Å; Q328-L332 VanDerWaalsContact O-N 3.13Å
329	T	98.9	Very high	98.9	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-42.6	176.5	-52.4	0	0	0	0	110.7	L314 W321 Q325 R331 L332 I333 F548	L314-T329 HydrophobicContact CD1-CG2 3.76Å; L314-T329 HydrophobicContact CD2-CG2 4.48Å; W321-T329 HydrophobicContact CH2-CG2 4.07Å; W321-T329 HydrophobicContact CZ3-CG2 3.85Å; W321-T329 WeakPolarHBondContact CZ3-OG1 3.28Å; Q325-T329 VanDerWaalsContact O-CB 3.26Å; Q325-T329 WeakPolarHBondContact O-CB 3.42Å; Q325-T329 PolarHBondContact O-N 2.82Å; Q325-T329 PolarHBondContact O-OG1 3.49Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 3.01Å; T329-L332 WeakPolarHBondContact O-CB 3.45Å; T329-L332 PolarHBondContact O-N 3.14Å; T329-I333 HydrophobicContact CG2-CD1 4.45Å; T329-I333 PolarHBondContact O-N 2.97Å; T329-F548 VanDerWaalsContact CG2-C 3.46Å
330	T	98.9	Very high	98.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-41.8	176.6	-59.3	0	0	0	0	111.8	H307 V310 C311 L314 L326 F327 Q328 L332 I333 V334	H307-T330 HydrophobicContact CB-CG2 4.34Å; H307-T330 WeakPolarHBondContact ND1-CG2 3.38Å; H307-T330 WeakPolarHBondContact O-CG2 3.21Å; V310-T330 HydrophobicContact CB-CG2 3.74Å; V310-T330 HydrophobicContact CG1-CG2 3.68Å; C311-T330 PolarHBondContact SG-OG1 3.16Å; L314-T330 WeakPolarHBondContact CD1-OG1 3.37Å; L326-T330 VanDerWaalsContact O-CB 3.24Å; L326-T330 WeakPolarHBondContact O-CB 3.22Å; L326-T330 PolarHBondContact O-N 2.96Å; L326-T330 PolarHBondContact O-OG1 3.29Å; F327-T330 PolarHBondContact O-N 2.94Å; Q328-T330 VanDerWaalsContact C-N 3.34Å; Q328-T330 PolarHBondContact O-N 3.45Å; T330-L332 VanDerWaalsContact C-N 3.29Å; T330-L332 PolarHBondContact O-N 2.97Å; T330-I333 WeakPolarHBondContact O-CB 3.33Å; T330-I333 PolarHBondContact O-N 2.7Å; T330-I333 VanDerWaalsContact O-N 3.16Å; T330-V334 HydrophobicContact CG2-CG2 4.39Å; T330-V334 WeakPolarHBondContact O-CG2 3.35Å; T330-V334 PolarHBondContact O-N 3.06Å
331	R	98.9	Very high	98.9	Very high	45 Å²	45	26.8 Å²	26.8	17%	0.17	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-41.3	175.1	177.2	170.3	-173.6	-174.7	7.4	111.8	D227 Y232 F327 Q328 T329 V334 I335	D227-R331 PolarHBondContact O-NE 2.77Å; D227-R331 PolarHBondContact O-NH2 2.92Å; D227-R331 IonicContact OD2-NH2 2.83Å; Y232-R331 HydrophobicContact CD2-CG 3.85Å; Y232-R331 HydrophobicContact CE2-CB 4.07Å; Y232-R331 HydrophobicContact CE2-CG 3.61Å; F327-R331 PolarHBondContact O-N 3.28Å; Q328-R331 PolarHBondContact O-N 3.48Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 3.01Å; R331-V334 PolarHBondContact O-N 3.05Å; R331-I335 HydrophobicContact CG-CD1 4.05Å; R331-I335 VanDerWaalsContact O-CG1 3.26Å; R331-I335 WeakPolarHBondContact O-CG1 3.48Å; R331-I335 PolarHBondContact O-N 3.42Å
332	L	98.9	Very high	98.9	Very high	44 Å²	44	25 Å²	25	23%	0.23	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-39.6	176.3	-65.7	173.5	0	0	0	112.1	Q328 T329 T330 I335 G336 I537 T547 F548	Q328-L332 WeakPolarHBondContact O-CG 3.34Å; Q328-L332 PolarHBondContact O-N 2.94Å; Q328-L332 VanDerWaalsContact O-N 3.13Å; T329-L332 WeakPolarHBondContact O-CB 3.45Å; T329-L332 PolarHBondContact O-N 3.14Å; T330-L332 VanDerWaalsContact C-N 3.29Å; T330-L332 PolarHBondContact O-N 2.97Å; L332-I335 PolarHBondContact O-N 3.13Å; L332-G336 PolarHBondContact O-N 2.92Å; L332-I537 HydrophobicContact CD2-CG2 3.92Å; L332-T547 HydrophobicContact CD1-CG2 3.82Å; L332-F548 HydrophobicContact CB-CD1 4.26Å; L332-F548 HydrophobicContact CB-CE1 4.26Å
333	I	98.9	Very high	98.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-51.7	174.2	-67.6	169.1	0	0	0	110.3	V310 L314 T329 T330 I335 G336 E337 F548 I556 V557	V310-I333 HydrophobicContact CG1-CB 4.25Å; V310-I333 HydrophobicContact CG1-CD1 3.62Å; V310-I333 HydrophobicContact CG1-CG2 4.04Å; V310-I333 HydrophobicContact CG2-CG2 4.39Å; L314-I333 HydrophobicContact CD1-CD1 3.96Å; L314-I333 HydrophobicContact CD2-CD1 4.15Å; L314-I333 HydrophobicContact CG-CD1 4.32Å; T329-I333 HydrophobicContact CG2-CD1 4.45Å; T329-I333 PolarHBondContact O-N 2.97Å; T330-I333 WeakPolarHBondContact O-CB 3.33Å; T330-I333 PolarHBondContact O-N 2.7Å; T330-I333 VanDerWaalsContact O-N 3.16Å; I333-I335 VanDerWaalsContact C-N 3.28Å; I333-I335 PolarHBondContact O-N 3.19Å; I333-G336 CarbonylContact O-C 3.59Å; I333-G336 WeakPolarHBondContact O-CA 3.17Å; I333-G336 PolarHBondContact O-N 3.32Å; I333-E337 HydrophobicContact CG2-CG 4.18Å; I333-E337 WeakPolarHBondContact O-CG 3.33Å; I333-E337 PolarHBondContact O-N 2.93Å; I333-F548 HydrophobicContact CG1-CB 4.01Å; I333-F548 HydrophobicContact CG1-CD1 3.95Å; I333-F548 HydrophobicContact CG1-CG 4.47Å; I333-I556 HydrophobicContact CG2-CB 4.15Å; I333-I556 HydrophobicContact CG2-CG2 3.62Å; I333-V557 HydrophobicContact CB-CG2 4.24Å; I333-V557 HydrophobicContact CG1-CG2 4.38Å; I333-V557 HydrophobicContact CG2-CG2 3.97Å
334	V	98.9	Very high	98.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-38.9	179.5	168	0	0	0	0	112	I231 W303 T330 R331 E337 T338	I231-V334 HydrophobicContact CD1-CG1 4.04Å; W303-V334 HydrophobicContact CE3-CG1 3.83Å; W303-V334 HydrophobicContact CZ3-CG1 4Å; T330-V334 HydrophobicContact CG2-CG2 4.39Å; T330-V334 WeakPolarHBondContact O-CG2 3.35Å; T330-V334 PolarHBondContact O-N 3.06Å; R331-V334 PolarHBondContact O-N 3.05Å; V334-E337 PolarHBondContact O-N 3.28Å; V334-T338 WeakPolarHBondContact O-CB 3.42Å; V334-T338 PolarHBondContact O-N 2.85Å; V334-T338 PolarHBondContact O-OG1 3.37Å
335	I	98.9	Very high	98.9	Very high	11 Å²	11	20 Å²	20	6%	0.056	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-45.3	173.4	-68.4	165.8	0	0	0	110.5	V226 A228 R331 L332 I333 T338 I339 I537	V226-I335 HydrophobicContact CG1-CG2 4.27Å; V226-I335 WeakPolarHBondContact O-CG2 3.26Å; A228-I335 HydrophobicContact CB-CG1 4.04Å; R331-I335 HydrophobicContact CG-CD1 4.05Å; R331-I335 VanDerWaalsContact O-CG1 3.26Å; R331-I335 WeakPolarHBondContact O-CG1 3.48Å; R331-I335 PolarHBondContact O-N 3.42Å; L332-I335 PolarHBondContact O-N 3.13Å; I333-I335 VanDerWaalsContact C-N 3.28Å; I333-I335 PolarHBondContact O-N 3.19Å; I335-T338 PolarHBondContact O-N 3.28Å; I335-I339 HydrophobicContact CG2-CD1 3.98Å; I335-I339 WeakPolarHBondContact O-CG1 3.42Å; I335-I339 PolarHBondContact O-N 2.66Å; I335-I537 HydrophobicContact CB-CD1 4.34Å; I335-I537 HydrophobicContact CG2-CD1 3.7Å; I335-I537 HydrophobicContact CG2-CG1 4.23Å; I335-I537 HydrophobicContact CG2-CG2 4.45Å
336	G	98.9	Very high	98.9	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.2	-47.7	176.2	0	0	0	0	0	113	L332 I333 T338 I339 R340	L332-G336 PolarHBondContact O-N 2.92Å; I333-G336 CarbonylContact O-C 3.59Å; I333-G336 WeakPolarHBondContact O-CA 3.17Å; I333-G336 PolarHBondContact O-N 3.32Å; G336-T338 VanDerWaalsContact C-N 3.33Å; G336-T338 PolarHBondContact O-N 2.78Å; G336-I339 PolarHBondContact O-N 3.3Å; G336-R340 WeakPolarHBondContact O-CB 3.41Å; G336-R340 PolarHBondContact O-N 2.7Å
337	E	98.9	Very high	98.8	Very high	10 Å²	10	17.2 Å²	17.2	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.9	-64.4	-169.7	102.4	0	0	111.4	W303 I333 V334 R340 I341 I556 A560	W303-E337 HydrophobicContact CH2-CB 4.37Å; W303-E337 HydrophobicContact CZ3-CB 4.32Å; I333-E337 HydrophobicContact CG2-CG 4.18Å; I333-E337 WeakPolarHBondContact O-CG 3.33Å; I333-E337 PolarHBondContact O-N 2.93Å; V334-E337 PolarHBondContact O-N 3.28Å; E337-R340 PolarHBondContact O-N 3.36Å; E337-I341 WeakPolarHBondContact O-CB 3.33Å; E337-I341 VanDerWaalsContact O-CG1 3.31Å; E337-I341 WeakPolarHBondContact O-CG1 3.23Å; E337-I341 PolarHBondContact O-N 3.34Å; E337-I556 HydrophobicContact CG-CG2 4.1Å; E337-I556 WeakPolarHBondContact OE1-CG2 3.04Å; E337-A560 HydrophobicContact CB-CB 3.71Å; E337-A560 HydrophobicContact CG-CB 3.7Å
338	T	98.9	Very high	98.8	Very high	2 Å²	2	19 Å²	19	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-58.1	-51.7	177.3	-59.6	0	0	0	0	110.7	F203 V226 W303 V334 I335 G336 R340 I341 V342	F203-T338 HydrophobicContact CD2-CG2 3.77Å; F203-T338 HydrophobicContact CE2-CG2 3.77Å; V226-T338 HydrophobicContact CG1-CG2 3.85Å; W303-T338 WeakPolarHBondContact CH2-OG1 3.24Å; V334-T338 WeakPolarHBondContact O-CB 3.42Å; V334-T338 PolarHBondContact O-N 2.85Å; V334-T338 PolarHBondContact O-OG1 3.37Å; I335-T338 PolarHBondContact O-N 3.28Å; G336-T338 VanDerWaalsContact C-N 3.33Å; G336-T338 PolarHBondContact O-N 2.78Å; T338-R340 VanDerWaalsContact C-N 3.3Å; T338-R340 PolarHBondContact O-N 3.39Å; T338-I341 PolarHBondContact O-N 2.9Å; T338-V342 HydrophobicContact CG2-CG2 4.28Å; T338-V342 WeakPolarHBondContact O-CB 3.17Å; T338-V342 WeakPolarHBondContact O-CG2 3.44Å; T338-V342 PolarHBondContact O-N 2.94Å
339	I	98.8	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-40.3	-178.9	-67.6	174	0	0	0	110.8	V226 I335 G336 V342 I343 F359 L532 N535 I537	V226-I339 HydrophobicContact CB-CD1 4.39Å; V226-I339 HydrophobicContact CB-CG1 4.22Å; V226-I339 HydrophobicContact CG1-CG1 4.06Å; V226-I339 HydrophobicContact CG2-CG1 4.33Å; I335-I339 HydrophobicContact CG2-CD1 3.98Å; I335-I339 WeakPolarHBondContact O-CG1 3.42Å; I335-I339 PolarHBondContact O-N 2.66Å; G336-I339 PolarHBondContact O-N 3.3Å; I339-V342 PolarHBondContact O-N 3.19Å; I339-I343 HydrophobicContact CG2-CD1 3.86Å; I339-I343 WeakPolarHBondContact O-CG1 3.18Å; I339-I343 PolarHBondContact O-N 3.3Å; I339-F359 HydrophobicContact CB-CE2 4.49Å; I339-F359 HydrophobicContact CB-CZ 4.38Å; I339-F359 HydrophobicContact CG2-CD2 3.79Å; I339-F359 HydrophobicContact CG2-CE1 4.42Å; I339-F359 HydrophobicContact CG2-CE2 3.49Å; I339-F359 VanDerWaalsContact CG2-CE2 3.49Å; I339-F359 HydrophobicContact CG2-CG 4.38Å; I339-F359 HydrophobicContact CG2-CZ 3.84Å; I339-L532 HydrophobicContact CB-CD2 4.38Å; I339-L532 HydrophobicContact CG1-CD2 4.1Å; I339-L532 HydrophobicContact CG2-CB 4.29Å; I339-L532 HydrophobicContact CG2-CD2 4.15Å; I339-N535 HydrophobicContact CD1-CB 3.81Å; I339-I537 HydrophobicContact CD1-CD1 4.08Å; I339-I537 HydrophobicContact CD1-CG1 4.19Å
340	R	98.7	Very high	98.5	Very high	40 Å²	40	17.5 Å²	17.5	15%	0.151	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-54.4	177.3	-176.4	174.7	-179.5	90.8	12	112.1	G336 E337 T338 V342 I343 E344 F359 V557 N558 A560	G336-R340 WeakPolarHBondContact O-CB 3.41Å; G336-R340 PolarHBondContact O-N 2.7Å; E337-R340 PolarHBondContact O-N 3.36Å; T338-R340 VanDerWaalsContact C-N 3.3Å; T338-R340 PolarHBondContact O-N 3.39Å; R340-V342 PolarHBondContact O-N 2.95Å; R340-I343 PolarHBondContact O-N 3.43Å; R340-E344 HydrophobicContact CG-CG 4.49Å; R340-E344 IonicContact CZ-OE1 2.79Å; R340-E344 IonicContact CZ-OE2 2.71Å; R340-E344 VanDerWaalsContact CZ-OE2 3.28Å; R340-E344 IonicContact NE-OE2 3.24Å; R340-E344 IonicContact NH1-OE1 2.69Å; R340-E344 IonicContact NH2-OE1 2.83Å; R340-E344 PolarHBondContact NH2-OE1 3.45Å; R340-E344 IonicContact NH2-OE2 3.02Å; R340-E344 PolarHBondContact NH2-OE2 2.75Å; R340-E344 PolarHBondContact O-N 3.05Å; R340-F359 HydrophobicContact CB-CB 4.46Å; R340-F359 HydrophobicContact CB-CD1 3.65Å; R340-F359 HydrophobicContact CB-CE1 4.3Å; R340-F359 HydrophobicContact CB-CG 4.37Å; R340-F359 HydrophobicContact CG-CB 4.33Å; R340-F359 HydrophobicContact CG-CD1 4.09Å; R340-V557 WeakPolarHBondContact CD-O 3.49Å; R340-N558 PolarHBondContact NE-O 3.2Å; R340-N558 PolarHBondContact NH1-O 3.1Å; R340-N558 PolarHBondContact NH2-O 3.12Å; R340-A560 HydrophobicContact CB-CB 4.45Å; R340-A560 PolarHBondContact NE-O 2.9Å
341	I	98.9	Very high	98.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-58.5	-39.5	179.1	-67.5	169.7	0	0	0	109.8	F199 W303 E337 T338 E345 Y346 A560 L562 L565 F578	F199-I341 HydrophobicContact CE2-CG2 4.08Å; F199-I341 HydrophobicContact CZ-CG2 3.9Å; W303-I341 HydrophobicContact CH2-CD1 4.16Å; E337-I341 WeakPolarHBondContact O-CB 3.33Å; E337-I341 VanDerWaalsContact O-CG1 3.31Å; E337-I341 WeakPolarHBondContact O-CG1 3.23Å; E337-I341 PolarHBondContact O-N 3.34Å; T338-I341 PolarHBondContact O-N 2.9Å; I341-E345 WeakPolarHBondContact O-CB 3.11Å; I341-E345 PolarHBondContact O-N 2.69Å; I341-E345 VanDerWaalsContact O-N 3.07Å; I341-Y346 PolarHBondContact O-N 3.29Å; I341-A560 HydrophobicContact CD1-CB 4.46Å; I341-A560 HydrophobicContact CG1-CB 4.32Å; I341-L562 HydrophobicContact CG2-CB 4.33Å; I341-L565 HydrophobicContact CD1-CB 4.37Å; I341-L565 HydrophobicContact CD1-CD2 4.29Å; I341-F578 HydrophobicContact CG2-CE2 4.34Å; I341-F578 HydrophobicContact CG2-CZ 4.4Å
342	V	98.8	Very high	98	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.098	C	C	.	.	I	π-helix	trans	-62.5	-48.6	177.5	174.9	0	0	0	0	111.3	F199 F203 T338 I339 R340 Y346 V347 L532	F199-V342 HydrophobicContact CE1-CG2 3.79Å; F199-V342 HydrophobicContact CZ-CG2 3.89Å; F203-V342 HydrophobicContact CD1-CG2 4.4Å; F203-V342 HydrophobicContact CD2-CG2 3.84Å; F203-V342 HydrophobicContact CE1-CG1 4.27Å; F203-V342 HydrophobicContact CE1-CG2 4.19Å; F203-V342 HydrophobicContact CE2-CG2 3.61Å; F203-V342 HydrophobicContact CG-CG2 4.25Å; F203-V342 HydrophobicContact CZ-CG1 4.19Å; F203-V342 HydrophobicContact CZ-CG2 3.8Å; T338-V342 HydrophobicContact CG2-CG2 4.28Å; T338-V342 WeakPolarHBondContact O-CB 3.17Å; T338-V342 WeakPolarHBondContact O-CG2 3.44Å; T338-V342 PolarHBondContact O-N 2.94Å; I339-V342 PolarHBondContact O-N 3.19Å; R340-V342 PolarHBondContact O-N 2.95Å; V342-Y346 HydrophobicContact CG1-CD1 4.13Å; V342-Y346 WeakPolarHBondContact O-CB 3.49Å; V342-Y346 PolarHBondContact O-N 3.1Å; V342-V347 HydrophobicContact CG1-CG2 4.13Å; V342-V347 WeakPolarHBondContact O-CB 3.27Å; V342-V347 VanDerWaalsContact O-CG2 3.3Å; V342-V347 WeakPolarHBondContact O-CG2 3.13Å; V342-V347 PolarHBondContact O-N 2.76Å; V342-L532 HydrophobicContact CB-CD2 4.01Å; V342-L532 HydrophobicContact CG1-CD1 3.69Å; V342-L532 HydrophobicContact CG1-CD2 3.73Å; V342-L532 HydrophobicContact CG1-CG 4.34Å
343	I	98.6	Very high	97.9	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.094	C	C	.	.	I	π-helix	trans	-71.9	-49	-176.6	-69.2	173.2	0	0	0	111.8	M111 I339 R340 L357 F359 L532 L533	M111-I343 HydrophobicContact CE-CG2 4.25Å; I339-I343 HydrophobicContact CG2-CD1 3.86Å; I339-I343 WeakPolarHBondContact O-CG1 3.18Å; I339-I343 PolarHBondContact O-N 3.3Å; R340-I343 PolarHBondContact O-N 3.43Å; I343-L357 HydrophobicContact CG2-CB 4.25Å; I343-F359 HydrophobicContact CB-CB 4.26Å; I343-F359 HydrophobicContact CD1-CB 4.15Å; I343-F359 HydrophobicContact CD1-CD2 3.69Å; I343-F359 HydrophobicContact CD1-CG 4.26Å; I343-F359 HydrophobicContact CG2-CB 4.31Å; I343-L532 HydrophobicContact CD1-CB 4.31Å; I343-L532 HydrophobicContact CD1-CD1 4.4Å; I343-L532 HydrophobicContact CG1-CD1 3.8Å; I343-L533 HydrophobicContact CD1-CD2 3.93Å
344	E	98.7	Very high	97.8	Very high	43 Å²	43	19.4 Å²	19.4	20%	0.201	10%	0.103	C	C	.	.	I	π-helix	trans	-88.3	-19.4	-166.9	-61.9	-166.9	180	0	0	114	R340 Q348 F359	R340-E344 HydrophobicContact CG-CG 4.49Å; R340-E344 IonicContact CZ-OE1 2.79Å; R340-E344 IonicContact CZ-OE2 2.71Å; R340-E344 VanDerWaalsContact CZ-OE2 3.28Å; R340-E344 IonicContact NE-OE2 3.24Å; R340-E344 IonicContact NH1-OE1 2.69Å; R340-E344 IonicContact NH2-OE1 2.83Å; R340-E344 PolarHBondContact NH2-OE1 3.45Å; R340-E344 IonicContact NH2-OE2 3.02Å; R340-E344 PolarHBondContact NH2-OE2 2.75Å; R340-E344 PolarHBondContact O-N 3.05Å; E344-Q348 WeakPolarHBondContact O-CB 3.17Å; E344-F359 HydrophobicContact CG-CB 4.24Å; E344-F359 PolarHBondContact OE1-N 2.83Å
345	E	98.8	Very high	97.7	Very high	56 Å²	56	19.5 Å²	19.5	26%	0.262	10%	0.104	S	C	.	.	I	π-helix	trans	-120.4	-53.1	179.5	-66.4	176.8	100	0	0	111.9	I341 H349 T561 L562 F578	I341-E345 WeakPolarHBondContact O-CB 3.11Å; I341-E345 PolarHBondContact O-N 2.69Å; I341-E345 VanDerWaalsContact O-N 3.07Å; E345-H349 WeakPolarHBondContact O-CB 3.48Å; E345-H349 PolarHBondContact O-N 2.99Å; E345-T561 WeakPolarHBondContact OE2-CA 3.48Å; E345-L562 PolarHBondContact OE1-N 2.72Å; E345-L562 PolarHBondContact OE2-N 2.71Å; E345-F578 HydrophobicContact CB-CD2 4.04Å; E345-F578 HydrophobicContact CB-CE2 3.9Å
346	Y	98.7	Very high	97.7	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.12	C	C	.	.	I	π-helix	trans	-69.4	-53.6	-175.1	175.4	-95.1	0	0	0	112.7	F196 F199 A200 I341 V342 Q348 H349 L350 Y383 W385 F578	F196-Y346 AromaticContact CD2-CD2 3.53Å; F196-Y346 HydrophobicContact CD2-CD2 3.53Å; F196-Y346 AromaticContact CD2-CE2 3.54Å; F196-Y346 HydrophobicContact CD2-CE2 3.54Å; F196-Y346 HydrophobicContact CE1-CE2 4.3Å; F196-Y346 AromaticContact CE2-CD2 3.29Å; F196-Y346 HydrophobicContact CE2-CD2 3.29Å; F196-Y346 AromaticContact CE2-CE2 3.07Å; F196-Y346 HydrophobicContact CE2-CE2 3.07Å; F196-Y346 HydrophobicContact CE2-CG 4.12Å; F196-Y346 AromaticContact CE2-CZ 3.76Å; F196-Y346 HydrophobicContact CG-CE2 4.32Å; F196-Y346 HydrophobicContact CZ-CD2 4.18Å; F196-Y346 AromaticContact CZ-CE2 3.5Å; F196-Y346 HydrophobicContact CZ-CE2 3.5Å; F196-Y346 AromaticContact CZ-CZ 3.83Å; F199-Y346 AromaticContact CD1-CD2 3.44Å; F199-Y346 HydrophobicContact CD1-CD2 3.44Å; F199-Y346 VanDerWaalsContact CD1-CD2 3.44Å; F199-Y346 AromaticContact CD1-CE2 3.87Å; F199-Y346 HydrophobicContact CD1-CE2 3.87Å; F199-Y346 HydrophobicContact CD1-CG 4Å; F199-Y346 AromaticContact CE1-CD2 3.9Å; F199-Y346 HydrophobicContact CE1-CD2 3.9Å; F199-Y346 AromaticContact CE1-CG 3.97Å; F199-Y346 HydrophobicContact CE1-CG 3.97Å; F199-Y346 HydrophobicContact CG-CD2 4.43Å; A200-Y346 HydrophobicContact CB-CE2 3.85Å; A200-Y346 WeakPolarHBondContact CB-OH 3.26Å; I341-Y346 PolarHBondContact O-N 3.29Å; V342-Y346 HydrophobicContact CG1-CD1 4.13Å; V342-Y346 WeakPolarHBondContact O-CB 3.49Å; V342-Y346 PolarHBondContact O-N 3.1Å; Y346-Q348 VanDerWaalsContact C-N 3.33Å; Y346-H349 PolarHBondContact O-N 3.11Å; Y346-L350 HydrophobicContact CE1-CD2 4.48Å; Y346-L350 VanDerWaalsContact O-CB 3.28Å; Y346-L350 WeakPolarHBondContact O-CB 3.37Å; Y346-L350 PolarHBondContact O-N 3.26Å; Y346-Y383 VanDerWaalsContact CE1-OH 3.23Å; Y346-Y383 WeakPolarHBondContact CE1-OH 3.17Å; Y346-Y383 WeakPolarHBondContact OH-CE1 3.5Å; Y346-Y383 PolarHBondContact OH-OH 3.24Å; Y346-W385 WeakPolarHBondContact OH-CZ3 3.16Å; Y346-F578 HydrophobicContact CD2-CE2 4.43Å; Y346-F578 HydrophobicContact CD2-CZ 4.48Å
347	V	98.2	Very high	97.6	Very high	25 Å²	25	23.5 Å²	23.5	15%	0.152	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-34.3	177.4	177.2	0	0	0	0	110.3	V342 L350 S351 L357	V342-V347 HydrophobicContact CG1-CG2 4.13Å; V342-V347 WeakPolarHBondContact O-CB 3.27Å; V342-V347 VanDerWaalsContact O-CG2 3.3Å; V342-V347 WeakPolarHBondContact O-CG2 3.13Å; V342-V347 PolarHBondContact O-N 2.76Å; V347-L350 PolarHBondContact O-N 2.91Å; V347-S351 WeakPolarHBondContact O-CB 3.49Å; V347-S351 PolarHBondContact O-N 3.08Å; V347-S351 PolarHBondContact O-OG 3.41Å; V347-S351 VanDerWaalsContact O-OG 3.1Å; V347-L357 HydrophobicContact CB-CD1 4.15Å; V347-L357 HydrophobicContact CG1-CD1 3.62Å
348	Q	98	Very high	97.6	Very high	37 Å²	37	25.5 Å²	25.5	17%	0.173	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-54.5	173.5	-175	70	56.6	0	0	110.8	E344 Y346 S351 G352 Y353 L355	E344-Q348 WeakPolarHBondContact O-CB 3.17Å; Y346-Q348 VanDerWaalsContact C-N 3.33Å; Q348-S351 PolarHBondContact O-N 3.47Å; Q348-S351 PolarHBondContact O-OG 2.98Å; Q348-G352 PolarHBondContact O-N 2.84Å; Q348-Y353 PolarHBondContact NE2-O 3.47Å; Q348-L355 PolarHBondContact NE2-O 3Å; Q348-L355 PolarHBondContact OE1-O 3.05Å
349	H	97.5	Very high	97.5	Very high	31 Å²	31	25.6 Å²	25.6	14%	0.144	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-51.7	177	174.5	69.2	0	0	0	111.6	Q190 S192 F196 E345 Y346 S351 G352 F578	Q190-H349 PolarHBondContact NE2-O 3.34Å; S192-H349 WeakPolarHBondContact CA-NE2 3.37Å; S192-H349 WeakPolarHBondContact CB-NE2 3.35Å; S192-H349 PolarHBondContact OG-NE2 3.29Å; F196-H349 AromaticContact CD2-CD2 3.59Å; F196-H349 AromaticContact CE2-CD2 3.75Å; E345-H349 WeakPolarHBondContact O-CB 3.48Å; E345-H349 PolarHBondContact O-N 2.99Å; Y346-H349 PolarHBondContact O-N 3.11Å; H349-S351 VanDerWaalsContact C-N 3.3Å; H349-S351 PolarHBondContact O-N 3.43Å; H349-G352 PolarHBondContact O-N 2.7Å; H349-F578 HydrophobicContact CB-CB 4.2Å; H349-F578 PolarHBondContact NE2-O 3.49Å
350	L	95.3	Very high	97.5	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.099	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-40.2	-178.5	-176	65.2	0	0	0	112.6	Q190 F196 Y346 V347 W385 I515 F516	Q190-L350 PolarHBondContact NE2-O 3.49Å; Q190-L350 VanDerWaalsContact NE2-O 3.09Å; F196-L350 HydrophobicContact CE2-CB 4.26Å; F196-L350 HydrophobicContact CE2-CD1 4.5Å; F196-L350 HydrophobicContact CZ-CB 4.28Å; F196-L350 HydrophobicContact CZ-CD1 3.71Å; F196-L350 HydrophobicContact CZ-CG 4.44Å; Y346-L350 HydrophobicContact CE1-CD2 4.48Å; Y346-L350 VanDerWaalsContact O-CB 3.28Å; Y346-L350 WeakPolarHBondContact O-CB 3.37Å; Y346-L350 PolarHBondContact O-N 3.26Å; V347-L350 PolarHBondContact O-N 2.91Å; L350-W385 HydrophobicContact CD1-CH2 4.35Å; L350-W385 HydrophobicContact CD1-CZ3 4.22Å; L350-W385 HydrophobicContact CD2-CH2 3.53Å; L350-W385 HydrophobicContact CD2-CZ3 3.98Å; L350-I515 HydrophobicContact CD1-CG2 3.81Å; L350-F516 HydrophobicContact CD1-CD1 4.44Å; L350-F516 HydrophobicContact CD1-CE1 3.4Å; L350-F516 HydrophobicContact CD1-CZ 3.69Å; L350-F516 HydrophobicContact CD2-CE1 4.16Å; L350-F516 HydrophobicContact CD2-CZ 4.14Å; L350-F516 HydrophobicContact CG-CE1 3.91Å; L350-F516 HydrophobicContact CG-CZ 3.75Å
351	S	94.5	Very high	97.5	Very high	19 Å²	19	25 Å²	25	13%	0.133	13%	0.131	C	C	.	.	H	α-helix	trans	-72.6	-30	-178.4	71.4	0	0	0	0	113.8	V347 Q348 H349 Y353	V347-S351 WeakPolarHBondContact O-CB 3.49Å; V347-S351 PolarHBondContact O-N 3.08Å; V347-S351 PolarHBondContact O-OG 3.41Å; V347-S351 VanDerWaalsContact O-OG 3.1Å; Q348-S351 PolarHBondContact O-N 3.47Å; Q348-S351 PolarHBondContact O-OG 2.98Å; H349-S351 VanDerWaalsContact C-N 3.3Å; H349-S351 PolarHBondContact O-N 3.43Å; S351-Y353 WeakPolarHBondContact O-CD1 3.5Å; S351-Y353 WeakPolarHBondContact O-CE1 3.34Å; S351-Y353 PolarHBondContact O-N 2.85Å; S351-Y353 PolarHBondContact OG-N 3.44Å
352	G	93.2	Very high	97.4	Very high	37 Å²	37	28 Å²	28	38%	0.381	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	14	-170.8	0	0	0	0	0	114.1	Q348 H349	Q348-G352 PolarHBondContact O-N 2.84Å; H349-G352 PolarHBondContact O-N 2.7Å
353	Y	95.4	Very high	97.4	Very high	35 Å²	35	29 Å²	29	14%	0.137	16%	0.155	C	C	.	.			trans	-74.4	148.3	-176.6	-61.7	-15.8	0	0	0	112.1	H88 L91 T92 Q348 S351	H88-Y353 AromaticContact ND1-CE1 3.74Å; L91-Y353 HydrophobicContact CB-CD1 3.73Å; L91-Y353 HydrophobicContact CB-CD2 4.49Å; L91-Y353 HydrophobicContact CB-CE1 4.12Å; L91-Y353 HydrophobicContact CB-CG 3.95Å; L91-Y353 HydrophobicContact CD1-CD1 4.3Å; L91-Y353 HydrophobicContact CD1-CD2 4.04Å; L91-Y353 HydrophobicContact CD1-CE1 4.07Å; L91-Y353 HydrophobicContact CD1-CE2 3.78Å; L91-Y353 HydrophobicContact CD1-CG 4.3Å; L91-Y353 WeakPolarHBondContact O-CA 3.49Å; T92-Y353 HydrophobicContact CG2-CD1 4.13Å; Q348-Y353 PolarHBondContact NE2-O 3.47Å; S351-Y353 WeakPolarHBondContact O-CD1 3.5Å; S351-Y353 WeakPolarHBondContact O-CE1 3.34Å; S351-Y353 PolarHBondContact O-N 2.85Å; S351-Y353 PolarHBondContact OG-N 3.44Å
354	L	96.9	Very high	97.3	Very high	38 Å²	38	29 Å²	29	20%	0.199	16%	0.155	C	C	.	.	S	Bend	trans	-84.5	-19.7	171.5	-60.1	-179.9	0	0	0	112.2	L91 T92 H95 W98 N102 Q356	L91-L354 PolarHBondContact O-N 2.83Å; T92-L354 WeakPolarHBondContact O-CD1 3.26Å; H95-L354 WeakPolarHBondContact CE1-CD2 3.32Å; W98-L354 HydrophobicContact CB-CB 3.78Å; W98-L354 VanDerWaalsContact CD1-CB 3.43Å; W98-L354 HydrophobicContact CD2-CB 4.29Å; W98-L354 HydrophobicContact CG-CB 3.54Å; W98-L354 HydrophobicContact CG-CD1 4.44Å; N102-L354 PolarHBondContact ND2-O 2.89Å; L354-Q356 PolarHBondContact O-N 3.2Å
355	L	97.5	Very high	97.3	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	-62.7	120	164.7	174.6	61.3	0	0	0	108.7	L91 W98 R107 L110 V114 Q348 L357	L91-L355 HydrophobicContact CD2-CB 4.01Å; L91-L355 HydrophobicContact CD2-CD2 4.27Å; W98-L355 HydrophobicContact CE3-CB 3.96Å; W98-L355 HydrophobicContact CE3-CD1 4.3Å; W98-L355 HydrophobicContact CH2-CB 4.22Å; W98-L355 HydrophobicContact CZ3-CB 3.74Å; W98-L355 HydrophobicContact CZ3-CD1 3.91Å; W98-L355 HydrophobicContact CZ3-CG 4.27Å; R107-L355 HydrophobicContact CG-CD1 4.27Å; L110-L355 HydrophobicContact CB-CD1 4.47Å; L110-L355 HydrophobicContact CB-CD2 4.3Å; V114-L355 HydrophobicContact CG2-CD2 4.46Å; Q348-L355 PolarHBondContact NE2-O 3Å; Q348-L355 PolarHBondContact OE1-O 3.05Å; L355-L357 HydrophobicContact CD2-CD2 4.44Å; L355-L357 PolarHBondContact O-N 3.16Å; L355-L357 VanDerWaalsContact O-N 3.12Å
356	Q	98	Very high	97.1	Very high	84 Å²	84	36.1 Å²	36.1	39%	0.393	19%	0.187	S	C	.	.			trans	-72.9	104.2	172.4	-71.5	176.9	5.3	0	0	109	N102 R107 L354	N102-Q356 HydrophobicContact CB-CB 4.46Å; N102-Q356 HydrophobicContact CB-CG 4.25Å; N102-Q356 PolarHBondContact OD1-N 3.43Å; R107-Q356 PolarHBondContact NE-O 2.91Å; R107-Q356 PolarHBondContact NH2-O 3.29Å; L354-Q356 PolarHBondContact O-N 3.2Å
357	L	97.8	Very high	96.9	Very high	11 Å²	11	38 Å²	38	6%	0.058	20%	0.2	C	C	.	.			trans	-58.5	150.3	173.1	-58	-177.5	0	0	0	109.7	R107 M111 I343 V347 L355	R107-L357 PolarHBondContact NH2-O 3.14Å; M111-L357 HydrophobicContact CE-CD2 4.42Å; M111-L357 HydrophobicContact SD-CB 4.32Å; M111-L357 HydrophobicContact SD-CD2 3.88Å; I343-L357 HydrophobicContact CG2-CB 4.25Å; V347-L357 HydrophobicContact CB-CD1 4.15Å; V347-L357 HydrophobicContact CG1-CD1 3.62Å; L355-L357 HydrophobicContact CD2-CD2 4.44Å; L355-L357 PolarHBondContact O-N 3.16Å; L355-L357 VanDerWaalsContact O-N 3.12Å
358	K	97.8	Very high	96.7	Very high	51 Å²	51	46 Å²	46	22%	0.222	24%	0.235	C	C	.	.			trans	-138.9	128.8	-174.7	-167.8	-170.1	-179.2	-162.4	0	110	N108 M111 D360	N108-K358 WeakPolarHBondContact OD1-CD 3.48Å; N108-K358 PolarHBondContact OD1-NZ 2.75Å; M111-K358 WeakPolarHBondContact CE-O 3.13Å; M111-K358 HydrophobicContact CG-CB 4.32Å; K358-D360 HydrophobicContact CD-CB 3.91Å; K358-D360 HydrophobicContact CG-CB 4.16Å; K358-D360 IonicContact NZ-OD2 3.15Å; K358-D360 PolarHBondContact NZ-OD2 3.17Å; K358-D360 PolarHBondContact O-N 3.43Å
359	F	98.4	Very high	96.6	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.018	23%	0.232	C	C	.	.			trans	-85.1	103	165.5	175.6	-128.6	0	0	0	109.2	I339 R340 I343 E344 P361 L533 W543 V557	I339-F359 HydrophobicContact CB-CE2 4.49Å; I339-F359 HydrophobicContact CB-CZ 4.38Å; I339-F359 HydrophobicContact CG2-CD2 3.79Å; I339-F359 HydrophobicContact CG2-CE1 4.42Å; I339-F359 HydrophobicContact CG2-CE2 3.49Å; I339-F359 VanDerWaalsContact CG2-CE2 3.49Å; I339-F359 HydrophobicContact CG2-CG 4.38Å; I339-F359 HydrophobicContact CG2-CZ 3.84Å; R340-F359 HydrophobicContact CB-CB 4.46Å; R340-F359 HydrophobicContact CB-CD1 3.65Å; R340-F359 HydrophobicContact CB-CE1 4.3Å; R340-F359 HydrophobicContact CB-CG 4.37Å; R340-F359 HydrophobicContact CG-CB 4.33Å; R340-F359 HydrophobicContact CG-CD1 4.09Å; I343-F359 HydrophobicContact CB-CB 4.26Å; I343-F359 HydrophobicContact CD1-CB 4.15Å; I343-F359 HydrophobicContact CD1-CD2 3.69Å; I343-F359 HydrophobicContact CD1-CG 4.26Å; I343-F359 HydrophobicContact CG2-CB 4.31Å; E344-F359 HydrophobicContact CG-CB 4.24Å; E344-F359 PolarHBondContact OE1-N 2.83Å; F359-P361 HydrophobicContact CD2-CG 4.33Å; F359-P361 HydrophobicContact CE2-CG 3.56Å; F359-P361 HydrophobicContact CZ-CG 3.74Å; F359-L533 HydrophobicContact CD2-CD2 3.94Å; F359-L533 HydrophobicContact CE2-CD2 3.83Å; F359-W543 HydrophobicContact CD1-CH2 4.44Å; F359-W543 AromaticContact CE1-CH2 3.46Å; F359-W543 HydrophobicContact CE1-CH2 3.46Å; F359-W543 VanDerWaalsContact CE1-CH2 3.46Å; F359-W543 HydrophobicContact CE1-CZ2 4.18Å; F359-W543 HydrophobicContact CE1-CZ3 4.03Å; F359-W543 AromaticContact CZ-CH2 3.73Å; F359-W543 HydrophobicContact CZ-CH2 3.73Å; F359-W543 HydrophobicContact CZ-CZ2 4.4Å; F359-W543 AromaticContact CZ-CZ3 3.91Å; F359-W543 HydrophobicContact CZ-CZ3 3.91Å; F359-V557 HydrophobicContact CE1-CG1 4.26Å
360	D	98.1	Very high	96.6	Very high	27 Å²	27	49.5 Å²	49.5	14%	0.144	25%	0.252	C	S	.	.			trans	-147	95.5	176.3	-174.7	-9.6	0	0	0	109.6	K358 T362 L363	K358-D360 HydrophobicContact CD-CB 3.91Å; K358-D360 HydrophobicContact CG-CB 4.16Å; K358-D360 IonicContact NZ-OD2 3.15Å; K358-D360 PolarHBondContact NZ-OD2 3.17Å; K358-D360 PolarHBondContact O-N 3.43Å; D360-T362 PolarHBondContact O-N 3.26Å; D360-T362 VanDerWaalsContact O-N 3.13Å; D360-T362 WeakPolarHBondContact OD1-CB 3.41Å; D360-T362 WeakPolarHBondContact OD1-CG2 3.23Å; D360-T362 PolarHBondContact OD1-N 2.89Å; D360-T362 VanDerWaalsContact OD1-N 3.12Å; D360-T362 PolarHBondContact OD1-OG1 2.94Å; D360-L363 HydrophobicContact CB-CD1 4.02Å; D360-L363 HydrophobicContact CB-CG 3.95Å; D360-L363 WeakPolarHBondContact O-CB 3.43Å; D360-L363 WeakPolarHBondContact O-CG 3.47Å; D360-L363 PolarHBondContact O-N 3.17Å
361	P	98.3	Very high	96.8	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.1	-26.4	179.9	-29.9	38.6	0	0	0	114.2	F359 L363 L364 F365 C538 W543	F359-P361 HydrophobicContact CD2-CG 4.33Å; F359-P361 HydrophobicContact CE2-CG 3.56Å; F359-P361 HydrophobicContact CZ-CG 3.74Å; P361-L363 PolarHBondContact O-N 3.38Å; P361-L363 VanDerWaalsContact O-N 3.14Å; P361-L364 PolarHBondContact O-N 3.46Å; P361-L364 VanDerWaalsContact O-N 3.07Å; P361-F365 HydrophobicContact CB-CE1 4.07Å; P361-F365 HydrophobicContact CB-CZ 4.45Å; P361-F365 VanDerWaalsContact O-CD1 3.24Å; P361-F365 WeakPolarHBondContact O-CD1 3.45Å; P361-F365 VanDerWaalsContact O-CE1 3.3Å; P361-F365 WeakPolarHBondContact O-CE1 3.27Å; P361-C538 HydrophobicContact CB-CB 4Å; P361-C538 WeakPolarHBondContact CB-O 3.37Å; P361-C538 HydrophobicContact CG-CB 4.08Å; P361-W543 HydrophobicContact CB-CD2 4.16Å; P361-W543 HydrophobicContact CB-CG 3.99Å; P361-W543 HydrophobicContact CG-CD2 3.67Å; P361-W543 HydrophobicContact CG-CE3 4.06Å; P361-W543 HydrophobicContact CG-CG 4.06Å; P361-W543 HydrophobicContact CG-CH2 4.33Å; P361-W543 HydrophobicContact CG-CZ2 3.97Å; P361-W543 HydrophobicContact CG-CZ3 4.37Å
362	T	98.1	Very high	96.8	Very high	63 Å²	63	52.2 Å²	52.2	39%	0.387	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.6	-177.5	74.6	0	0	0	0	112.6	D360 L364 F365	D360-T362 PolarHBondContact O-N 3.26Å; D360-T362 VanDerWaalsContact O-N 3.13Å; D360-T362 WeakPolarHBondContact OD1-CB 3.41Å; D360-T362 WeakPolarHBondContact OD1-CG2 3.23Å; D360-T362 PolarHBondContact OD1-N 2.89Å; D360-T362 VanDerWaalsContact OD1-N 3.12Å; D360-T362 PolarHBondContact OD1-OG1 2.94Å; T362-L364 PolarHBondContact O-N 3.33Å; T362-L364 VanDerWaalsContact O-N 3.14Å; T362-F365 HydrophobicContact CG2-CD2 4.31Å; T362-F365 HydrophobicContact CG2-CE2 3.76Å; T362-F365 HydrophobicContact CG2-CZ 4.04Å; T362-F365 PolarHBondContact O-N 3.06Å
363	L	97.6	Very high	97.1	Very high	22 Å²	22	52.2 Å²	52.2	12%	0.115	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23.3	175.8	-61.5	-179.4	0	0	0	113	N108 M111 R112 L115 D360 P361	N108-L363 HydrophobicContact CB-CD2 3.8Å; M111-L363 HydrophobicContact CB-CD1 3.95Å; M111-L363 HydrophobicContact CG-CD1 3.87Å; R112-L363 HydrophobicContact CB-CB 4.3Å; R112-L363 WeakPolarHBondContact CD-O 3.23Å; R112-L363 WeakPolarHBondContact CG-O 3.27Å; L115-L363 HydrophobicContact CD1-CD1 4.46Å; D360-L363 HydrophobicContact CB-CD1 4.02Å; D360-L363 HydrophobicContact CB-CG 3.95Å; D360-L363 WeakPolarHBondContact O-CB 3.43Å; D360-L363 WeakPolarHBondContact O-CG 3.47Å; D360-L363 PolarHBondContact O-N 3.17Å; P361-L363 PolarHBondContact O-N 3.38Å; P361-L363 VanDerWaalsContact O-N 3.14Å
364	L	97.7	Very high	97.2	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-102.2	-6.9	-178.8	-65.8	-178	0	0	0	114.4	L115 T116 P361 T362 H366 S367 F369 L533	L115-L364 HydrophobicContact CB-CD2 4.02Å; L115-L364 HydrophobicContact CD1-CD2 4.42Å; L115-L364 HydrophobicContact CD1-CG 4.31Å; T116-L364 HydrophobicContact CG2-CD2 3.83Å; P361-L364 PolarHBondContact O-N 3.46Å; P361-L364 VanDerWaalsContact O-N 3.07Å; T362-L364 PolarHBondContact O-N 3.33Å; T362-L364 VanDerWaalsContact O-N 3.14Å; L364-H366 PolarHBondContact O-N 2.78Å; L364-H366 VanDerWaalsContact O-N 3.08Å; L364-S367 WeakPolarHBondContact O-CB 3.42Å; L364-S367 PolarHBondContact O-N 3.42Å; L364-F369 HydrophobicContact CD1-CD1 4.13Å; L364-F369 HydrophobicContact CD1-CD2 3.93Å; L364-F369 HydrophobicContact CD1-CE1 4.25Å; L364-F369 HydrophobicContact CD1-CE2 4.04Å; L364-F369 HydrophobicContact CD1-CG 3.97Å; L364-F369 HydrophobicContact CD1-CZ 4.21Å; L364-L533 HydrophobicContact CD1-CB 4Å; L364-L533 HydrophobicContact CD1-CD1 3.48Å; L364-L533 VanDerWaalsContact CD1-CD1 3.48Å; L364-L533 HydrophobicContact CD1-CG 4.4Å; L364-L533 HydrophobicContact CG-CD1 4.33Å
365	F	97.6	Very high	97.3	Very high	64 Å²	64	50.2 Å²	50.2	28%	0.281	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.5	-173.4	-71.2	1	0	0	0	114.1	P361 T362 P540 W543	P361-F365 HydrophobicContact CB-CE1 4.07Å; P361-F365 HydrophobicContact CB-CZ 4.45Å; P361-F365 VanDerWaalsContact O-CD1 3.24Å; P361-F365 WeakPolarHBondContact O-CD1 3.45Å; P361-F365 VanDerWaalsContact O-CE1 3.3Å; P361-F365 WeakPolarHBondContact O-CE1 3.27Å; T362-F365 HydrophobicContact CG2-CD2 4.31Å; T362-F365 HydrophobicContact CG2-CE2 3.76Å; T362-F365 HydrophobicContact CG2-CZ 4.04Å; T362-F365 PolarHBondContact O-N 3.06Å; F365-P540 HydrophobicContact CB-CG 4.41Å; F365-P540 HydrophobicContact CD1-CB 4.28Å; F365-P540 HydrophobicContact CD1-CG 3.63Å; F365-P540 HydrophobicContact CD2-CB 4.43Å; F365-P540 HydrophobicContact CD2-CG 4.48Å; F365-P540 HydrophobicContact CE1-CB 4.28Å; F365-P540 HydrophobicContact CE1-CG 3.96Å; F365-P540 HydrophobicContact CE2-CB 4.43Å; F365-P540 HydrophobicContact CG-CB 4.37Å; F365-P540 HydrophobicContact CG-CG 3.93Å; F365-P540 HydrophobicContact CZ-CB 4.36Å; F365-W543 HydrophobicContact CZ-CB 4Å; F365-W543 AromaticContact CZ-CD1 3.96Å; F365-W543 HydrophobicContact CZ-CG 4.31Å
366	H	94.6	Very high	97.4	Very high	186 Å²	186	50.1 Å²	50.1	86%	0.861	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	19.6	177.6	-55.2	-60.7	0	0	0	112.7	L364	L364-H366 PolarHBondContact O-N 2.78Å; L364-H366 VanDerWaalsContact O-N 3.08Å
367	S	94.3	Very high	97.4	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	23%	0.229	S	C	.	.	S	Bend	trans	-113.3	153.5	177.9	-61.4	0	0	0	0	110.7	L364 F369	L364-S367 WeakPolarHBondContact O-CB 3.42Å; L364-S367 PolarHBondContact O-N 3.42Å; S367-F369 VanDerWaalsContact C-N 3.34Å; S367-F369 PolarHBondContact O-N 3.16Å
368	H	94.2	Very high	97.4	Very high	194 Å²	194	45.7 Å²	45.7	90%	0.898	23%	0.227	S	C	*	.			trans	-73.8	89.9	169.1	-66	-71.5	0	0	0	109.5
369	F	96.9	Very high	97.5	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	22%	0.218	C	C	.	.			trans	-132.6	132.8	-179	-174.8	-89.9	0	0	0	110.7	L364 S367 Y371 K530 L533	L364-F369 HydrophobicContact CD1-CD1 4.13Å; L364-F369 HydrophobicContact CD1-CD2 3.93Å; L364-F369 HydrophobicContact CD1-CE1 4.25Å; L364-F369 HydrophobicContact CD1-CE2 4.04Å; L364-F369 HydrophobicContact CD1-CG 3.97Å; L364-F369 HydrophobicContact CD1-CZ 4.21Å; S367-F369 VanDerWaalsContact C-N 3.34Å; S367-F369 PolarHBondContact O-N 3.16Å; F369-Y371 HydrophobicContact CD1-CD1 4.04Å; F369-Y371 HydrophobicContact CD1-CD2 4.48Å; F369-Y371 AromaticContact CD1-CE1 3.87Å; F369-Y371 HydrophobicContact CD1-CE1 3.87Å; F369-Y371 HydrophobicContact CD1-CE2 4.34Å; F369-Y371 HydrophobicContact CD1-CG 4.34Å; F369-Y371 AromaticContact CE1-CD1 3.92Å; F369-Y371 HydrophobicContact CE1-CD1 3.92Å; F369-Y371 AromaticContact CE1-CE1 4Å; F369-Y371 HydrophobicContact CE1-CE1 4Å; F369-Y371 HydrophobicContact CE1-CG 4.47Å; F369-K530 HydrophobicContact CE2-CD 4.26Å; F369-K530 HydrophobicContact CZ-CD 4.11Å; F369-L533 HydrophobicContact CE1-CB 4.42Å; F369-L533 VanDerWaalsContact CE1-O 3.26Å; F369-L533 WeakPolarHBondContact CE1-O 3.29Å; F369-L533 HydrophobicContact CZ-CB 3.98Å
370	Q	97.4	Very high	97.4	Very high	120 Å²	120	43.7 Å²	43.7	56%	0.561	22%	0.219	S	C	*	.			trans	-94.1	121.1	178.4	-65	-61.8	-34.3	0	0	110.6	S124 G372 K530	S124-Q370 WeakPolarHBondContact OG-CB 3.49Å; Q370-G372 VanDerWaalsContact C-N 3.3Å; Q370-G372 PolarHBondContact O-N 3.18Å; Q370-K530 PolarHBondContact O-NZ 3.24Å
371	Y	97.9	Very high	97.4	Very high	65 Å²	65	42.6 Å²	42.6	26%	0.255	21%	0.213	S	C	.	.			trans	-82.3	76.3	175.4	-63.7	-79.3	0	0	0	110.8	F369 L533 G534 C538	F369-Y371 HydrophobicContact CD1-CD1 4.04Å; F369-Y371 HydrophobicContact CD1-CD2 4.48Å; F369-Y371 AromaticContact CD1-CE1 3.87Å; F369-Y371 HydrophobicContact CD1-CE1 3.87Å; F369-Y371 HydrophobicContact CD1-CE2 4.34Å; F369-Y371 HydrophobicContact CD1-CG 4.34Å; F369-Y371 AromaticContact CE1-CD1 3.92Å; F369-Y371 HydrophobicContact CE1-CD1 3.92Å; F369-Y371 AromaticContact CE1-CE1 4Å; F369-Y371 HydrophobicContact CE1-CE1 4Å; F369-Y371 HydrophobicContact CE1-CG 4.47Å; Y371-L533 WeakPolarHBondContact CD1-O 3.42Å; Y371-G534 CarbonylContact C-O 3.35Å; Y371-C538 HydrophobicContact CD1-CB 4.33Å; Y371-C538 HydrophobicContact CE1-CB 4.02Å; Y371-C538 WeakPolarHBondContact CE1-O 3.45Å; Y371-C538 PolarHBondContact OH-O 2.94Å
372	G	95.6	Very high	97.5	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	21%	0.213	S	C	.	.			trans	-167.5	158.8	172.1	0	0	0	0	0	110	Q370 K530 G534	Q370-G372 VanDerWaalsContact C-N 3.3Å; Q370-G372 PolarHBondContact O-N 3.18Å; G372-K530 WeakPolarHBondContact O-CE 3.4Å; G372-K530 PolarHBondContact O-NZ 2.74Å; G372-G534 WeakPolarHBondContact CA-O 3.45Å; G372-G534 PolarHBondContact N-O 3.36Å
373	N	98.4	Very high	97.5	Very high	37 Å²	37	40.8 Å²	40.8	20%	0.198	20%	0.199	C	C	.	.			trans	-142	151.8	179.1	-170.1	49.1	0	0	0	111.3	H224 I375	H224-N373 PolarHBondContact O-ND2 2.96Å; N373-I375 WeakPolarHBondContact ND2-CD1 3.11Å
374	R	98.7	Very high	97.5	Very high	27 Å²	27	41.5 Å²	41.5	10%	0.102	20%	0.202	C	C	.	.			trans	-134.3	118.1	167.4	-174.2	64.3	63.9	76.7	10.6	107	P126 S139 Y140 L143 T147 H224 A376	P126-R374 HydrophobicContact CB-CB 3.72Å; P126-R374 HydrophobicContact CB-CG 3.84Å; P126-R374 HydrophobicContact CG-CB 3.91Å; P126-R374 HydrophobicContact CG-CG 4.06Å; S139-R374 PolarHBondContact O-NH1 3.2Å; S139-R374 VanDerWaalsContact O-NH1 3.17Å; Y140-R374 PolarHBondContact O-NH2 3.45Å; L143-R374 VanDerWaalsContact CD2-CZ 3.49Å; T147-R374 VanDerWaalsContact CB-CG 3.47Å; T147-R374 HydrophobicContact CG2-CB 3.83Å; T147-R374 HydrophobicContact CG2-CG 3.55Å; T147-R374 WeakPolarHBondContact CG2-O 3.37Å; H224-R374 VanDerWaalsContact CD2-CD 3.42Å; H224-R374 WeakPolarHBondContact CD2-CD 3.36Å; H224-R374 WeakPolarHBondContact CE1-CD 3.46Å; H224-R374 WeakPolarHBondContact NE2-CD 3.28Å; R374-A376 PolarHBondContact O-N 3.42Å
375	I	98.6	Very high	97.5	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.205	C	C	.	.			trans	-64	128.2	-179.2	-61.3	-69.3	0	0	0	109	Y146 T147 F207 F208 H224 N373 F379	Y146-I375 WeakPolarHBondContact CA-O 3.46Å; Y146-I375 HydrophobicContact CD1-CB 3.97Å; Y146-I375 HydrophobicContact CD1-CG2 3.69Å; Y146-I375 WeakPolarHBondContact CD1-O 3.07Å; Y146-I375 HydrophobicContact CE1-CB 4.12Å; Y146-I375 HydrophobicContact CE1-CG2 3.62Å; T147-I375 PolarHBondContact N-O 3.26Å; F207-I375 HydrophobicContact CB-CD1 3.95Å; F207-I375 HydrophobicContact CB-CG1 3.99Å; F207-I375 HydrophobicContact CD2-CD1 3.77Å; F207-I375 HydrophobicContact CD2-CG1 4.46Å; F207-I375 HydrophobicContact CE2-CD1 4.48Å; F207-I375 HydrophobicContact CG-CD1 3.93Å; F207-I375 HydrophobicContact CG-CG1 4.49Å; F208-I375 HydrophobicContact CD1-CG2 3.77Å; F208-I375 HydrophobicContact CE1-CG2 3.45Å; F208-I375 VanDerWaalsContact CE1-CG2 3.45Å; H224-I375 HydrophobicContact CB-CG1 3.99Å; H224-I375 PolarHBondContact ND1-N 3.08Å; N373-I375 WeakPolarHBondContact ND2-CD1 3.11Å; I375-F379 HydrophobicContact CD1-CD1 4.41Å
376	A	98.7	Very high	97.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-87	146.6	177.7	0	0	0	0	0	111.2	T147 R374 E378 F379 S380 F527	T147-A376 HydrophobicContact CG2-CB 4.04Å; T147-A376 CarbonylContact O-C 3.56Å; T147-A376 VanDerWaalsContact O-CA 3.24Å; T147-A376 WeakPolarHBondContact O-CA 3.33Å; R374-A376 PolarHBondContact O-N 3.42Å; A376-E378 PolarHBondContact O-N 3.1Å; A376-F379 HydrophobicContact CB-CB 4.29Å; A376-F379 WeakPolarHBondContact O-CB 3.32Å; A376-F379 PolarHBondContact O-N 3.41Å; A376-S380 PolarHBondContact O-N 3.04Å; A376-F527 HydrophobicContact CB-CD1 4.07Å; A376-F527 HydrophobicContact CB-CE1 3.28Å; A376-F527 HydrophobicContact CB-CZ 3.74Å
377	L	98.1	Very high	97.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-39.9	174.3	175.9	67.6	0	0	0	111.1	Y146 T147 R148 F379 S380 Q381 L456 I458	Y146-L377 HydrophobicContact CD2-CD1 4.32Å; T147-L377 PolarHBondContact O-N 2.94Å; R148-L377 HydrophobicContact CG-CB 4.19Å; R148-L377 HydrophobicContact CG-CD2 4.48Å; L377-F379 VanDerWaalsContact C-N 3.27Å; L377-F379 PolarHBondContact O-N 3.14Å; L377-S380 VanDerWaalsContact O-CB 3.28Å; L377-S380 WeakPolarHBondContact O-CB 3.38Å; L377-S380 PolarHBondContact O-N 3.32Å; L377-S380 VanDerWaalsContact O-N 3.12Å; L377-Q381 PolarHBondContact O-N 3.15Å; L377-L456 HydrophobicContact CD1-CD1 3.57Å; L377-L456 HydrophobicContact CD2-CB 3.88Å; L377-L456 HydrophobicContact CD2-CD1 3.41Å; L377-L456 VanDerWaalsContact CD2-CD1 3.41Å; L377-L456 HydrophobicContact CD2-CG 4.17Å; L377-L456 HydrophobicContact CG-CD1 4.08Å; L377-I458 HydrophobicContact CD2-CD1 3.96Å; L377-I458 HydrophobicContact CD2-CG1 4.24Å; L377-I458 HydrophobicContact CG-CD1 4.3Å
378	E	98.6	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-34.4	179.3	-58.7	98.1	147.9	0	0	111.7	R148 I149 A376 S380 Q381 L382 Y464 F501 F527	R148-E378 WeakPolarHBondContact CA-OE2 3.05Å; R148-E378 IonicContact NE-OE1 3.49Å; I149-E378 PolarHBondContact N-OE1 2.85Å; I149-E378 VanDerWaalsContact N-OE1 3.14Å; A376-E378 PolarHBondContact O-N 3.1Å; E378-S380 VanDerWaalsContact C-N 3.34Å; E378-Q381 PolarHBondContact O-N 2.92Å; E378-L382 VanDerWaalsContact O-CB 3.23Å; E378-L382 WeakPolarHBondContact O-CB 3.3Å; E378-L382 PolarHBondContact O-N 2.89Å; E378-Y464 HydrophobicContact CB-CE1 4.35Å; E378-Y464 HydrophobicContact CG-CD1 4.48Å; E378-Y464 HydrophobicContact CG-CE1 3.5Å; E378-Y464 VanDerWaalsContact CG-OH 3.28Å; E378-Y464 WeakPolarHBondContact CG-OH 3.41Å; E378-Y464 WeakPolarHBondContact OE1-CE1 3.23Å; E378-Y464 PolarHBondContact OE1-OH 3.21Å; E378-F501 HydrophobicContact CB-CE1 4.09Å; E378-F501 HydrophobicContact CB-CZ 4.04Å; E378-F501 WeakPolarHBondContact O-CE1 3.45Å; E378-F527 HydrophobicContact CB-CE2 4.46Å; E378-F527 HydrophobicContact CB-CZ 4.3Å
379	F	98.8	Very high	98.2	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.039	11%	0.111	C	C	.	.	H	α-helix	trans	-67.2	-37.9	174.1	-172.4	-141.8	0	0	0	111.6	F207 F208 I375 A376 L377 L382 Y383 F527	F207-F379 HydrophobicContact CE2-CE1 4Å; F208-F379 HydrophobicContact CE1-CB 4.46Å; F208-F379 AromaticContact CE1-CD1 3.82Å; F208-F379 HydrophobicContact CE1-CD1 3.82Å; F208-F379 HydrophobicContact CE1-CE1 4.38Å; F208-F379 HydrophobicContact CE1-CG 4.25Å; F208-F379 HydrophobicContact CZ-CB 4.41Å; F208-F379 AromaticContact CZ-CD1 3.51Å; F208-F379 HydrophobicContact CZ-CD1 3.51Å; F208-F379 HydrophobicContact CZ-CD2 4.37Å; F208-F379 AromaticContact CZ-CE1 3.76Å; F208-F379 HydrophobicContact CZ-CE1 3.76Å; F208-F379 AromaticContact CZ-CG 3.83Å; F208-F379 HydrophobicContact CZ-CG 3.83Å; F208-F379 HydrophobicContact CZ-CZ 4.3Å; F208-F379 WeakPolarHBondContact CZ-O 3.27Å; I375-F379 HydrophobicContact CD1-CD1 4.41Å; A376-F379 HydrophobicContact CB-CB 4.29Å; A376-F379 WeakPolarHBondContact O-CB 3.32Å; A376-F379 PolarHBondContact O-N 3.41Å; L377-F379 VanDerWaalsContact C-N 3.27Å; L377-F379 PolarHBondContact O-N 3.14Å; F379-L382 HydrophobicContact CD2-CD2 4.49Å; F379-L382 PolarHBondContact O-N 3.24Å; F379-Y383 HydrophobicContact CD2-CD2 4.23Å; F379-Y383 AromaticContact CE2-CD2 3.5Å; F379-Y383 HydrophobicContact CE2-CD2 3.5Å; F379-Y383 AromaticContact CE2-CE2 3.81Å; F379-Y383 HydrophobicContact CE2-CE2 3.81Å; F379-Y383 AromaticContact CZ-CD2 3.7Å; F379-Y383 HydrophobicContact CZ-CD2 3.7Å; F379-Y383 AromaticContact CZ-CE2 3.74Å; F379-Y383 HydrophobicContact CZ-CE2 3.74Å; F379-Y383 PolarHBondContact O-N 2.99Å; F379-F527 HydrophobicContact CB-CB 4.04Å; F379-F527 HydrophobicContact CB-CD1 3.97Å; F379-F527 HydrophobicContact CB-CD2 3.73Å; F379-F527 HydrophobicContact CB-CE1 4.28Å; F379-F527 HydrophobicContact CB-CE2 4.06Å; F379-F527 HydrophobicContact CB-CG 3.67Å; F379-F527 HydrophobicContact CB-CZ 4.31Å; F379-F527 HydrophobicContact CD1-CB 3.82Å; F379-F527 HydrophobicContact CD1-CG 4.36Å; F379-F527 HydrophobicContact CD2-CB 3.41Å; F379-F527 VanDerWaalsContact CD2-CB 3.41Å; F379-F527 AromaticContact CD2-CD2 3.81Å; F379-F527 HydrophobicContact CD2-CD2 3.81Å; F379-F527 AromaticContact CD2-CG 3.83Å; F379-F527 HydrophobicContact CD2-CG 3.83Å; F379-F527 HydrophobicContact CE1-CB 4.08Å; F379-F527 HydrophobicContact CE2-CB 3.69Å; F379-F527 HydrophobicContact CG-CB 3.48Å; F379-F527 VanDerWaalsContact CG-CB 3.48Å; F379-F527 HydrophobicContact CG-CD1 4.32Å; F379-F527 AromaticContact CG-CD2 3.97Å; F379-F527 HydrophobicContact CG-CD2 3.97Å; F379-F527 AromaticContact CG-CG 3.71Å; F379-F527 HydrophobicContact CG-CG 3.71Å; F379-F527 HydrophobicContact CZ-CB 4.02Å
380	S	98.1	Very high	98.3	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-51.3	172.6	-177.5	0	0	0	0	110.9	A376 L377 E378 L382 Y383 H384	A376-S380 PolarHBondContact O-N 3.04Å; L377-S380 VanDerWaalsContact O-CB 3.28Å; L377-S380 WeakPolarHBondContact O-CB 3.38Å; L377-S380 PolarHBondContact O-N 3.32Å; L377-S380 VanDerWaalsContact O-N 3.12Å; E378-S380 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 3.09Å; S380-Y383 PolarHBondContact O-N 3.14Å; S380-H384 PolarHBondContact O-CE1 2.71Å; S380-H384 PolarHBondContact O-ND1 3.16Å
381	Q	98.2	Very high	98.3	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-42.9	178.3	-68	-161.5	-4.7	0	0	113.1	L377 E378 Y383 H384 T449 S453 I458 F501 Y502	L377-Q381 PolarHBondContact O-N 3.15Å; E378-Q381 PolarHBondContact O-N 2.92Å; Q381-Y383 PolarHBondContact O-N 2.97Å; Q381-H384 WeakPolarHBondContact O-CB 3.2Å; Q381-H384 PolarHBondContact O-N 2.76Å; Q381-H384 PolarHBondContact O-ND1 2.96Å; Q381-T449 HydrophobicContact CB-CG2 4.41Å; Q381-T449 HydrophobicContact CG-CG2 4.12Å; Q381-S453 VanDerWaalsContact NE2-CA 3.27Å; Q381-S453 VanDerWaalsContact NE2-CB 3.31Å; Q381-S453 PolarHBondContact OE1-OG 3.22Å; Q381-I458 HydrophobicContact CG-CD1 4.36Å; Q381-I458 VanDerWaalsContact OE1-CD1 3.28Å; Q381-F501 HydrophobicContact CB-CD1 4.28Å; Q381-F501 HydrophobicContact CB-CE1 4.16Å; Q381-Y502 WeakPolarHBondContact O-CD2 3.24Å
382	L	98.5	Very high	98.3	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-57	-36.5	179.1	-177	152.2	0	0	0	112	E378 F379 S380 H384 W385 F501 L505 M520 M523	E378-L382 VanDerWaalsContact O-CB 3.23Å; E378-L382 WeakPolarHBondContact O-CB 3.3Å; E378-L382 PolarHBondContact O-N 2.89Å; F379-L382 HydrophobicContact CD2-CD2 4.49Å; F379-L382 PolarHBondContact O-N 3.24Å; S380-L382 PolarHBondContact O-N 3.09Å; L382-H384 VanDerWaalsContact C-N 3.29Å; L382-H384 PolarHBondContact O-N 2.92Å; L382-W385 HydrophobicContact CD2-CZ2 4.33Å; L382-W385 VanDerWaalsContact O-CD1 3.22Å; L382-W385 PolarHBondContact O-NE1 3.47Å; L382-F501 HydrophobicContact CB-CE1 4.48Å; L382-L505 HydrophobicContact CB-CD1 3.93Å; L382-L505 HydrophobicContact CD1-CD1 4.23Å; L382-L505 HydrophobicContact CD1-CD2 4.42Å; L382-L505 HydrophobicContact CG-CD1 3.96Å; L382-M520 HydrophobicContact CD1-SD 4.23Å; L382-M520 HydrophobicContact CD2-SD 3.49Å; L382-M520 WeakPolarHBondContact CD2-SD 3.49Å; L382-M520 HydrophobicContact CG-SD 3.5Å; L382-M520 WeakPolarHBondContact CG-SD 3.38Å; L382-M523 HydrophobicContact CD1-CB 3.71Å
383	Y	98.4	Very high	98.4	Very high	23 Å²	23	16.4 Å²	16.4	9%	0.09	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	11	-176.5	-126.2	-62.9	0	0	0	115.3	A200 T204 F208 Y346 F379 S380 Q381 W385	A200-Y383 HydrophobicContact CB-CE1 4.36Å; T204-Y383 HydrophobicContact CG2-CD1 3.62Å; T204-Y383 HydrophobicContact CG2-CD2 3.91Å; T204-Y383 HydrophobicContact CG2-CE1 3.39Å; T204-Y383 HydrophobicContact CG2-CE2 3.69Å; T204-Y383 HydrophobicContact CG2-CG 3.86Å; T204-Y383 VanDerWaalsContact CG2-CZ 3.41Å; F208-Y383 VanDerWaalsContact CE2-CB 3.44Å; F208-Y383 AromaticContact CE2-CD2 3.82Å; F208-Y383 HydrophobicContact CE2-CD2 3.82Å; F208-Y383 AromaticContact CE2-CG 3.79Å; F208-Y383 HydrophobicContact CE2-CG 3.79Å; F208-Y383 HydrophobicContact CZ-CD2 4.19Å; F208-Y383 HydrophobicContact CZ-CG 4.48Å; Y346-Y383 VanDerWaalsContact CE1-OH 3.23Å; Y346-Y383 WeakPolarHBondContact CE1-OH 3.17Å; Y346-Y383 WeakPolarHBondContact OH-CE1 3.5Å; Y346-Y383 PolarHBondContact OH-OH 3.24Å; F379-Y383 HydrophobicContact CD2-CD2 4.23Å; F379-Y383 AromaticContact CE2-CD2 3.5Å; F379-Y383 HydrophobicContact CE2-CD2 3.5Å; F379-Y383 AromaticContact CE2-CE2 3.81Å; F379-Y383 HydrophobicContact CE2-CE2 3.81Å; F379-Y383 AromaticContact CZ-CD2 3.7Å; F379-Y383 HydrophobicContact CZ-CD2 3.7Å; F379-Y383 AromaticContact CZ-CE2 3.74Å; F379-Y383 HydrophobicContact CZ-CE2 3.74Å; F379-Y383 PolarHBondContact O-N 2.99Å; S380-Y383 PolarHBondContact O-N 3.14Å; Q381-Y383 PolarHBondContact O-N 2.97Å; Y383-W385 AromaticContact CD1-CD2 3.83Å; Y383-W385 HydrophobicContact CD1-CD2 3.83Å; Y383-W385 AromaticContact CD1-CE2 3.92Å; Y383-W385 AromaticContact CD1-CE3 3.97Å; Y383-W385 HydrophobicContact CD1-CE3 3.97Å; Y383-W385 HydrophobicContact CD1-CG 4.38Å; Y383-W385 HydrophobicContact CD1-CH2 4.22Å; Y383-W385 HydrophobicContact CD1-CZ2 4.1Å; Y383-W385 HydrophobicContact CD1-CZ3 4.19Å; Y383-W385 AromaticContact CE1-CD2 3.95Å; Y383-W385 HydrophobicContact CE1-CD2 3.95Å; Y383-W385 AromaticContact CE1-CE3 3.6Å; Y383-W385 HydrophobicContact CE1-CE3 3.6Å; Y383-W385 AromaticContact CE1-CH2 3.61Å; Y383-W385 HydrophobicContact CE1-CH2 3.61Å; Y383-W385 AromaticContact CE1-CZ2 3.97Å; Y383-W385 HydrophobicContact CE1-CZ2 3.97Å; Y383-W385 AromaticContact CE1-CZ3 3.46Å; Y383-W385 HydrophobicContact CE1-CZ3 3.46Å; Y383-W385 VanDerWaalsContact CE1-CZ3 3.46Å; Y383-W385 HydrophobicContact CE2-CH2 4.28Å; Y383-W385 HydrophobicContact CE2-CZ2 4.42Å; Y383-W385 HydrophobicContact CG-CZ2 4.4Å; Y383-W385 AromaticContact CZ-CH2 3.66Å; Y383-W385 AromaticContact CZ-CZ3 3.88Å; Y383-W385 PolarHBondContact O-N 3.4Å
384	H	98.4	Very high	98.4	Very high	38 Å²	38	19 Å²	19	18%	0.176	9%	0.092	C	C	.	.			trans	-77.3	59.4	176.6	-76.4	64.5	0	0	0	112	S380 Q381 L382 H386 T449 Y502	S380-H384 PolarHBondContact O-CE1 2.71Å; S380-H384 PolarHBondContact O-ND1 3.16Å; Q381-H384 WeakPolarHBondContact O-CB 3.2Å; Q381-H384 PolarHBondContact O-N 2.76Å; Q381-H384 PolarHBondContact O-ND1 2.96Å; L382-H384 VanDerWaalsContact C-N 3.29Å; L382-H384 PolarHBondContact O-N 2.92Å; H384-H386 AromaticContact CD2-CE1 3.55Å; H384-H386 AromaticContact CG-CE1 3.87Å; H384-H386 PolarHBondContact O-N 2.74Å; H384-H386 PolarHBondContact O-ND1 2.82Å; H384-H386 VanDerWaalsContact O-ND1 3.14Å; H384-T449 PolarHBondContact CD2-OG1 3.5Å; H384-T449 PolarHBondContact NE2-OG1 3.19Å; H384-Y502 HydrophobicContact CB-CE2 3.57Å; H384-Y502 PolarHBondContact O-OH 2.84Å
385	W	98.4	Very high	98.4	Very high	20 Å²	20	17.8 Å²	17.8	8%	0.076	9%	0.087	C	C	.	.			trans	-80.1	41.2	-174	-58.7	-11.3	0	0	0	114.4	F196 Y346 L350 L382 Y383 P387 L388 I432 F516	F196-W385 HydrophobicContact CZ-CZ3 4.33Å; Y346-W385 WeakPolarHBondContact OH-CZ3 3.16Å; L350-W385 HydrophobicContact CD1-CH2 4.35Å; L350-W385 HydrophobicContact CD1-CZ3 4.22Å; L350-W385 HydrophobicContact CD2-CH2 3.53Å; L350-W385 HydrophobicContact CD2-CZ3 3.98Å; L382-W385 HydrophobicContact CD2-CZ2 4.33Å; L382-W385 VanDerWaalsContact O-CD1 3.22Å; L382-W385 PolarHBondContact O-NE1 3.47Å; Y383-W385 AromaticContact CD1-CD2 3.83Å; Y383-W385 HydrophobicContact CD1-CD2 3.83Å; Y383-W385 AromaticContact CD1-CE2 3.92Å; Y383-W385 AromaticContact CD1-CE3 3.97Å; Y383-W385 HydrophobicContact CD1-CE3 3.97Å; Y383-W385 HydrophobicContact CD1-CG 4.38Å; Y383-W385 HydrophobicContact CD1-CH2 4.22Å; Y383-W385 HydrophobicContact CD1-CZ2 4.1Å; Y383-W385 HydrophobicContact CD1-CZ3 4.19Å; Y383-W385 AromaticContact CE1-CD2 3.95Å; Y383-W385 HydrophobicContact CE1-CD2 3.95Å; Y383-W385 AromaticContact CE1-CE3 3.6Å; Y383-W385 HydrophobicContact CE1-CE3 3.6Å; Y383-W385 AromaticContact CE1-CH2 3.61Å; Y383-W385 HydrophobicContact CE1-CH2 3.61Å; Y383-W385 AromaticContact CE1-CZ2 3.97Å; Y383-W385 HydrophobicContact CE1-CZ2 3.97Å; Y383-W385 AromaticContact CE1-CZ3 3.46Å; Y383-W385 HydrophobicContact CE1-CZ3 3.46Å; Y383-W385 VanDerWaalsContact CE1-CZ3 3.46Å; Y383-W385 HydrophobicContact CE2-CH2 4.28Å; Y383-W385 HydrophobicContact CE2-CZ2 4.42Å; Y383-W385 HydrophobicContact CG-CZ2 4.4Å; Y383-W385 AromaticContact CZ-CH2 3.66Å; Y383-W385 AromaticContact CZ-CZ3 3.88Å; Y383-W385 PolarHBondContact O-N 3.4Å; W385-P387 VanDerWaalsContact C-N 3.27Å; W385-L388 HydrophobicContact CB-CD1 3.73Å; W385-L388 HydrophobicContact CB-CG 4.23Å; W385-L388 HydrophobicContact CE3-CD1 4.21Å; W385-L388 VanDerWaalsContact O-CB 3.3Å; W385-L388 WeakPolarHBondContact O-CB 3.17Å; W385-L388 WeakPolarHBondContact O-CD1 3.42Å; W385-L388 VanDerWaalsContact O-CG 3.32Å; W385-L388 WeakPolarHBondContact O-CG 3.49Å; W385-L388 PolarHBondContact O-N 3.42Å; W385-L388 VanDerWaalsContact O-N 3.08Å; W385-I432 HydrophobicContact CB-CD1 3.83Å; W385-I432 HydrophobicContact CB-CG1 4.14Å; W385-I432 HydrophobicContact CD2-CD1 3.59Å; W385-I432 HydrophobicContact CE3-CD1 3.73Å; W385-I432 HydrophobicContact CG-CD1 3.63Å; W385-I432 HydrophobicContact CG-CG1 4.31Å; W385-I432 HydrophobicContact CG-CG2 4.26Å; W385-I432 HydrophobicContact CZ3-CD1 4.48Å; W385-F516 HydrophobicContact CH2-CE1 4.49Å; W385-F516 HydrophobicContact CZ2-CE1 4.41Å
386	H	98.5	Very high	98.2	Very high	45 Å²	45	22.2 Å²	22.2	21%	0.208	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-57.2	-24.7	177.3	-60.4	92.3	0	0	0	115.5	H384 L388 M389 M438 V442 V445	H384-H386 AromaticContact CD2-CE1 3.55Å; H384-H386 AromaticContact CG-CE1 3.87Å; H384-H386 PolarHBondContact O-N 2.74Å; H384-H386 PolarHBondContact O-ND1 2.82Å; H384-H386 VanDerWaalsContact O-ND1 3.14Å; H386-L388 PolarHBondContact O-N 3.17Å; H386-L388 VanDerWaalsContact O-N 3.16Å; H386-M389 WeakPolarHBondContact O-CB 3.29Å; H386-M389 PolarHBondContact O-N 2.84Å; H386-M389 VanDerWaalsContact O-N 3.12Å; H386-M438 HydrophobicContact CB-CE 4.18Å; H386-M438 HydrophobicContact CB-SD 3.27Å; H386-M438 WeakPolarHBondContact CB-SD 3.47Å; H386-V442 HydrophobicContact CB-CB 4.49Å; H386-V442 HydrophobicContact CB-CG2 4.01Å; H386-V445 VanDerWaalsContact CE1-CG1 3.49Å; H386-V445 WeakPolarHBondContact CE1-CG1 3.36Å
387	P	98.6	Very high	97.9	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.026	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.4	172	-26.2	36.4	0	0	0	114.7	R182 W385 M389 G430 Q431 N437 M438	R182-P387 PolarHBondContact NH2-O 2.98Å; W385-P387 VanDerWaalsContact C-N 3.27Å; P387-M389 PolarHBondContact O-N 3.13Å; P387-G430 WeakPolarHBondContact O-CA 3.29Å; P387-Q431 VanDerWaalsContact CB-O 3.32Å; P387-Q431 WeakPolarHBondContact CB-O 3.43Å; P387-N437 HydrophobicContact CB-CB 4.37Å; P387-M438 HydrophobicContact CG-CE 3.74Å; P387-M438 HydrophobicContact CG-SD 4.06Å
388	L	98.8	Very high	97.9	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57	-31.7	173.2	-72.8	169.2	0	0	0	112.3	F196 A197 W385 H386 A429 G430 I432 I515	F196-L388 HydrophobicContact CD1-CD2 4.29Å; F196-L388 HydrophobicContact CE1-CD1 4.21Å; F196-L388 HydrophobicContact CE1-CD2 4.17Å; A197-L388 HydrophobicContact CB-CB 3.93Å; A197-L388 HydrophobicContact CB-CD1 4.2Å; W385-L388 HydrophobicContact CB-CD1 3.73Å; W385-L388 HydrophobicContact CB-CG 4.23Å; W385-L388 HydrophobicContact CE3-CD1 4.21Å; W385-L388 VanDerWaalsContact O-CB 3.3Å; W385-L388 WeakPolarHBondContact O-CB 3.17Å; W385-L388 WeakPolarHBondContact O-CD1 3.42Å; W385-L388 VanDerWaalsContact O-CG 3.32Å; W385-L388 WeakPolarHBondContact O-CG 3.49Å; W385-L388 PolarHBondContact O-N 3.42Å; W385-L388 VanDerWaalsContact O-N 3.08Å; H386-L388 PolarHBondContact O-N 3.17Å; H386-L388 VanDerWaalsContact O-N 3.16Å; L388-A429 HydrophobicContact CB-CB 4.4Å; L388-A429 HydrophobicContact CD2-CB 3.87Å; L388-A429 WeakPolarHBondContact O-CA 3.2Å; L388-A429 WeakPolarHBondContact O-CB 3.38Å; L388-G430 WeakPolarHBondContact CD2-O 3.3Å; L388-G430 PolarHBondContact O-N 3.33Å; L388-I432 HydrophobicContact CD1-CD1 4.27Å; L388-I432 HydrophobicContact CD2-CD1 4.11Å; L388-I432 HydrophobicContact CD2-CG1 4.05Å; L388-I432 HydrophobicContact CG-CD1 4.09Å; L388-I432 HydrophobicContact CG-CG1 3.93Å; L388-I515 HydrophobicContact CD2-CD1 3.88Å
389	M	98.4	Very high	97.9	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.079	20%	0.198	C	C	.	.	S	Bend	trans	-68.4	134.8	-173.1	-62	-62.9	-60.8	0	0	111.4	R182 M194 F198 H386 P387 F393 Y402	R182-M389 VanDerWaalsContact CZ-O 3.29Å; R182-M389 PolarHBondContact NH1-O 3.11Å; R182-M389 PolarHBondContact NH2-O 3.43Å; M194-M389 HydrophobicContact CE-CE 4.32Å; M194-M389 HydrophobicContact CE-SD 4.13Å; F198-M389 HydrophobicContact CE1-CE 4.12Å; F198-M389 HydrophobicContact CE1-SD 4.4Å; F198-M389 HydrophobicContact CZ-CE 4.35Å; H386-M389 WeakPolarHBondContact O-CB 3.29Å; H386-M389 PolarHBondContact O-N 2.84Å; H386-M389 VanDerWaalsContact O-N 3.12Å; P387-M389 PolarHBondContact O-N 3.13Å; M389-F393 HydrophobicContact CE-CE1 3.56Å; M389-F393 HydrophobicContact CE-CZ 3.44Å; M389-F393 VanDerWaalsContact CE-CZ 3.44Å; M389-Y402 WeakPolarHBondContact CB-OH 3.46Å; M389-Y402 HydrophobicContact CE-CE1 4.34Å
390	P	98.3	Very high	97.8	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.019	20%	0.2	C	C	.	.			trans	-79.1	-175.6	-173.5	35.2	-34.8	0	0	0	110.8	R182 M194 T392 F393 Y402 N439	R182-P390 VanDerWaalsContact NH1-C 3.35Å; R182-P390 PolarHBondContact NH1-O 3.32Å; M194-P390 HydrophobicContact CE-CG 4.15Å; M194-P390 HydrophobicContact SD-CB 4.49Å; M194-P390 VanDerWaalsContact SD-CD 3.53Å; M194-P390 HydrophobicContact SD-CG 3.89Å; P390-T392 WeakPolarHBondContact CB-O 3.39Å; P390-T392 WeakPolarHBondContact CG-O 3.14Å; P390-F393 HydrophobicContact CG-CD1 3.91Å; P390-F393 HydrophobicContact CG-CE1 3.82Å; P390-F393 HydrophobicContact CG-CZ 4.38Å; P390-Y402 VanDerWaalsContact O-CE2 3.24Å; P390-Y402 WeakPolarHBondContact O-CE2 3.15Å; P390-Y402 PolarHBondContact O-OH 2.95Å; P390-N439 PolarHBondContact O-ND2 3.18Å
391	D	98.1	Very high	97.8	Very high	72 Å²	72	38.7 Å²	38.7	39%	0.385	22%	0.217	S	C	.	.	S	Bend	trans	-81.1	-36.3	172.9	-68.8	-27.5	0	0	0	112.4	R182 Y402 N439	R182-D391 VanDerWaalsContact CD-OD1 3.27Å; R182-D391 WeakPolarHBondContact CD-OD1 3.11Å; R182-D391 IonicContact CZ-OD1 3.73Å; R182-D391 IonicContact NE-OD1 2.71Å; R182-D391 IonicContact NH1-OD1 2.72Å; R182-D391 PolarHBondContact NH1-OD1 3.49Å; D391-Y402 WeakPolarHBondContact O-CD2 3.17Å; D391-Y402 VanDerWaalsContact O-CE2 3.31Å; D391-Y402 WeakPolarHBondContact O-CE2 3.3Å; D391-N439 PolarHBondContact OD1-ND2 2.78Å
392	T	98.2	Very high	97.8	Very high	27 Å²	27	39.1 Å²	39.1	17%	0.166	22%	0.219	C	C	.	.	S	Bend	trans	-141.8	165.2	175	52.4	0	0	0	0	109.6	P390 H394 E399 L400 Q427	P390-T392 WeakPolarHBondContact CB-O 3.39Å; P390-T392 WeakPolarHBondContact CG-O 3.14Å; T392-H394 PolarHBondContact OG1-NE2 2.68Å; T392-E399 VanDerWaalsContact CB-OE1 3.27Å; T392-E399 WeakPolarHBondContact CB-OE1 3.43Å; T392-E399 HydrophobicContact CG2-CG 4.05Å; T392-E399 VanDerWaalsContact CG2-OE1 3.23Å; T392-E399 WeakPolarHBondContact CG2-OE1 3.34Å; T392-E399 PolarHBondContact OG1-OE1 2.93Å; T392-L400 WeakPolarHBondContact CA-O 3.47Å; T392-Q427 PolarHBondContact O-NE2 3.28Å
393	F	98.6	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.6	179.7	-56.1	-89.1	0	0	0	109.6	M194 F198 M389 P390 L400 Y402 F405	M194-F393 HydrophobicContact CE-CD1 4.45Å; M194-F393 HydrophobicContact CE-CE1 4.03Å; F198-F393 HydrophobicContact CZ-CD1 4.23Å; F198-F393 AromaticContact CZ-CE1 3.8Å; F198-F393 HydrophobicContact CZ-CE1 3.8Å; M389-F393 HydrophobicContact CE-CE1 3.56Å; M389-F393 HydrophobicContact CE-CZ 3.44Å; M389-F393 VanDerWaalsContact CE-CZ 3.44Å; P390-F393 HydrophobicContact CG-CD1 3.91Å; P390-F393 HydrophobicContact CG-CE1 3.82Å; P390-F393 HydrophobicContact CG-CZ 4.38Å; F393-L400 HydrophobicContact CB-CB 4.39Å; F393-L400 PolarHBondContact N-O 3.23Å; F393-L400 PolarHBondContact O-N 2.7Å; F393-Y402 HydrophobicContact CE2-CD1 4.09Å; F393-Y402 HydrophobicContact CE2-CD2 4.23Å; F393-Y402 HydrophobicContact CE2-CE1 4.12Å; F393-Y402 HydrophobicContact CE2-CE2 4.24Å; F393-Y402 HydrophobicContact CE2-CG 4.16Å; F393-Y402 HydrophobicContact CZ-CD1 4.34Å; F393-Y402 AromaticContact CZ-CE1 3.98Å; F393-Y402 HydrophobicContact CZ-CE1 3.98Å; F393-F405 HydrophobicContact CB-CD2 4.11Å; F393-F405 HydrophobicContact CB-CE2 4.28Å; F393-F405 HydrophobicContact CB-CG 4.5Å; F393-F405 HydrophobicContact CD1-CD1 4.1Å; F393-F405 HydrophobicContact CD1-CD2 4.44Å; F393-F405 AromaticContact CD1-CE1 3.91Å; F393-F405 HydrophobicContact CD1-CE1 3.91Å; F393-F405 HydrophobicContact CD1-CE2 4.27Å; F393-F405 HydrophobicContact CD1-CG 4.36Å; F393-F405 HydrophobicContact CD1-CZ 4Å; F393-F405 HydrophobicContact CD2-CB 3.58Å; F393-F405 AromaticContact CD2-CD1 3.72Å; F393-F405 HydrophobicContact CD2-CD1 3.72Å; F393-F405 AromaticContact CD2-CD2 3.94Å; F393-F405 HydrophobicContact CD2-CD2 3.94Å; F393-F405 HydrophobicContact CD2-CE1 4.36Å; F393-F405 AromaticContact CD2-CG 3.48Å; F393-F405 HydrophobicContact CD2-CG 3.48Å; F393-F405 VanDerWaalsContact CD2-CG 3.48Å; F393-F405 AromaticContact CE1-CD1 3.86Å; F393-F405 HydrophobicContact CE1-CD1 3.86Å; F393-F405 AromaticContact CE1-CE1 3.7Å; F393-F405 HydrophobicContact CE1-CE1 3.7Å; F393-F405 HydrophobicContact CE1-CZ 4.23Å; F393-F405 HydrophobicContact CE2-CB 3.73Å; F393-F405 AromaticContact CE2-CD1 3.47Å; F393-F405 HydrophobicContact CE2-CD1 3.47Å; F393-F405 VanDerWaalsContact CE2-CD1 3.47Å; F393-F405 HydrophobicContact CE2-CE1 4.18Å; F393-F405 AromaticContact CE2-CG 3.67Å; F393-F405 HydrophobicContact CE2-CG 3.67Å; F393-F405 HydrophobicContact CG-CB 4.39Å; F393-F405 HydrophobicContact CG-CD1 4.04Å; F393-F405 AromaticContact CG-CD2 3.9Å; F393-F405 HydrophobicContact CG-CD2 3.9Å; F393-F405 HydrophobicContact CG-CE1 4.24Å; F393-F405 HydrophobicContact CG-CE2 4.12Å; F393-F405 AromaticContact CG-CG 3.86Å; F393-F405 HydrophobicContact CG-CG 3.86Å; F393-F405 HydrophobicContact CG-CZ 4.28Å; F393-F405 AromaticContact CZ-CD1 3.53Å; F393-F405 HydrophobicContact CZ-CD1 3.53Å; F393-F405 AromaticContact CZ-CE1 3.84Å; F393-F405 HydrophobicContact CZ-CE1 3.84Å; F393-F405 HydrophobicContact CZ-CG 4.18Å
394	H	98.2	Very high	97.6	Very high	93 Å²	93	46.8 Å²	46.8	43%	0.431	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.9	-178.8	-60.3	149.5	0	0	0	110.2	T392 D398 E399 A423	T392-H394 PolarHBondContact OG1-NE2 2.68Å; H394-D398 CarbonylContact C-O 3.49Å; H394-D398 WeakPolarHBondContact CA-O 3.46Å; H394-E399 IonicContact NE2-OE1 3.28Å; H394-A423 WeakPolarHBondContact O-CB 3.43Å
395	I	97.9	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	117.9	-176.2	-56.7	163.3	0	0	0	109.1	G397 D398 L400 F405 V411 Y415 L420 A423 F424	I395-G397 PolarHBondContact O-N 3.08Å; I395-G397 VanDerWaalsContact O-N 3.12Å; I395-D398 PolarHBondContact N-O 2.96Å; I395-D398 WeakPolarHBondContact O-CB 3.28Å; I395-D398 PolarHBondContact O-N 3.07Å; I395-L400 HydrophobicContact CD1-CD1 3.87Å; I395-F405 HydrophobicContact CD1-CE2 4.06Å; I395-V411 HydrophobicContact CD1-CG1 4.1Å; I395-Y415 HydrophobicContact CB-CE1 4.46Å; I395-Y415 HydrophobicContact CB-CE2 4.42Å; I395-Y415 HydrophobicContact CG2-CD1 3.63Å; I395-Y415 HydrophobicContact CG2-CD2 3.77Å; I395-Y415 HydrophobicContact CG2-CE1 3.88Å; I395-Y415 HydrophobicContact CG2-CE2 4.02Å; I395-Y415 HydrophobicContact CG2-CG 3.57Å; I395-L420 HydrophobicContact CD1-CD2 3.61Å; I395-L420 HydrophobicContact CG1-CD2 4.05Å; I395-L420 HydrophobicContact CG2-CD2 3.76Å; I395-A423 HydrophobicContact CB-CB 4.36Å; I395-A423 HydrophobicContact CG1-CB 4.28Å; I395-A423 HydrophobicContact CG2-CB 4.27Å; I395-F424 HydrophobicContact CD1-CE1 4.18Å; I395-F424 HydrophobicContact CD1-CZ 4.34Å; I395-F424 HydrophobicContact CG1-CE1 4.18Å
396	D	94.2	Very high	97.5	Very high	98 Å²	98	46.5 Å²	46.5	52%	0.524	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	34.4	175.4	-159.3	40.1	0	0	0	114.8	D398 Y415 K419	D396-D398 VanDerWaalsContact C-N 3.34Å; D396-Y415 HydrophobicContact CB-CD1 3.92Å; D396-Y415 HydrophobicContact CB-CE1 4.01Å; D396-K419 HydrophobicContact CB-CD 4.17Å; D396-K419 IonicContact OD1-NZ 3.66Å; D396-K419 WeakPolarHBondContact OD2-CD 3.46Å; D396-K419 WeakPolarHBondContact OD2-CE 3.31Å; D396-K419 IonicContact OD2-NZ 2.7Å; D396-K419 PolarHBondContact OD2-NZ 2.8Å
397	G	93.4	Very high	97.3	Very high	84 Å²	84	48.1 Å²	48.1	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-12.2	-177.2	0	0	0	0	0	114.8	I395	I395-G397 PolarHBondContact O-N 3.08Å; I395-G397 VanDerWaalsContact O-N 3.12Å
398	D	97.4	Very high	97.1	Very high	78 Å²	78	50.5 Å²	50.5	42%	0.417	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.8	173.9	-63.9	-38.5	0	0	0	111.5	H394 I395 D396 Y415	H394-D398 CarbonylContact C-O 3.49Å; H394-D398 WeakPolarHBondContact CA-O 3.46Å; I395-D398 PolarHBondContact N-O 2.96Å; I395-D398 WeakPolarHBondContact O-CB 3.28Å; I395-D398 PolarHBondContact O-N 3.07Å; D396-D398 VanDerWaalsContact C-N 3.34Å; D398-Y415 WeakPolarHBondContact CB-OH 3.38Å; D398-Y415 WeakPolarHBondContact OD2-CE1 3.44Å; D398-Y415 PolarHBondContact OD2-OH 3.02Å
399	E	97.7	Very high	96.9	Very high	118 Å²	118	51.9 Å²	51.9	55%	0.551	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.1	171.4	-179	174.9	-170.3	0	0	109.9	T392 H394	T392-E399 VanDerWaalsContact CB-OE1 3.27Å; T392-E399 WeakPolarHBondContact CB-OE1 3.43Å; T392-E399 HydrophobicContact CG2-CG 4.05Å; T392-E399 VanDerWaalsContact CG2-OE1 3.23Å; T392-E399 WeakPolarHBondContact CG2-OE1 3.34Å; T392-E399 PolarHBondContact OG1-OE1 2.93Å; H394-E399 IonicContact NE2-OE1 3.28Å
400	L	98.2	Very high	96.8	Very high	18 Å²	18	54.1 Å²	54.1	9%	0.094	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.8	179.3	-56.2	-175.3	0	0	0	111	T392 F393 I395 Q404 F405 V411 Y415	T392-L400 WeakPolarHBondContact CA-O 3.47Å; F393-L400 HydrophobicContact CB-CB 4.39Å; F393-L400 PolarHBondContact N-O 3.23Å; F393-L400 PolarHBondContact O-N 2.7Å; I395-L400 HydrophobicContact CD1-CD1 3.87Å; L400-Q404 HydrophobicContact CB-CB 4.32Å; L400-Q404 HydrophobicContact CD2-CB 4.4Å; L400-F405 HydrophobicContact CD1-CD2 4.25Å; L400-V411 HydrophobicContact CD1-CG1 4.44Å; L400-V411 HydrophobicContact CD1-CG2 3.97Å; L400-Y415 HydrophobicContact CD1-CE2 4.41Å
401	T	98.1	Very high	96.7	Very high	63 Å²	63	54.3 Å²	54.3	39%	0.387	32%	0.318	S	S	.	.			trans	-71.2	163.4	168.1	64.6	0	0	0	0	111.3	A403 Q404 F405	T401-A403 PolarHBondContact O-N 3.06Å; T401-Q404 PolarHBondContact O-N 3.26Å; T401-Q404 PolarHBondContact OG1-N 2.87Å; T401-Q404 PolarHBondContact OG1-OE1 3.39Å; T401-F405 PolarHBondContact O-N 3.4Å
402	Y	97.4	Very high	96.7	Very high	13 Å²	13	51.2 Å²	51.2	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-54.7	-36.2	172.9	-83.2	-97.1	0	0	0	113.5	M389 P390 D391 F393 Q404 F405 L406 I441 V442	M389-Y402 WeakPolarHBondContact CB-OH 3.46Å; M389-Y402 HydrophobicContact CE-CE1 4.34Å; P390-Y402 VanDerWaalsContact O-CE2 3.24Å; P390-Y402 WeakPolarHBondContact O-CE2 3.15Å; P390-Y402 PolarHBondContact O-OH 2.95Å; D391-Y402 WeakPolarHBondContact O-CD2 3.17Å; D391-Y402 VanDerWaalsContact O-CE2 3.31Å; D391-Y402 WeakPolarHBondContact O-CE2 3.3Å; F393-Y402 HydrophobicContact CE2-CD1 4.09Å; F393-Y402 HydrophobicContact CE2-CD2 4.23Å; F393-Y402 HydrophobicContact CE2-CE1 4.12Å; F393-Y402 HydrophobicContact CE2-CE2 4.24Å; F393-Y402 HydrophobicContact CE2-CG 4.16Å; F393-Y402 HydrophobicContact CZ-CD1 4.34Å; F393-Y402 AromaticContact CZ-CE1 3.98Å; F393-Y402 HydrophobicContact CZ-CE1 3.98Å; Y402-Q404 VanDerWaalsContact C-N 3.27Å; Y402-Q404 PolarHBondContact O-N 3.41Å; Y402-F405 PolarHBondContact O-N 3.32Å; Y402-L406 HydrophobicContact CD1-CD1 4.19Å; Y402-L406 HydrophobicContact CD1-CG 4.47Å; Y402-L406 VanDerWaalsContact O-CB 3.28Å; Y402-L406 WeakPolarHBondContact O-CB 3.47Å; Y402-L406 WeakPolarHBondContact O-CG 3.23Å; Y402-L406 PolarHBondContact O-N 2.93Å; Y402-I441 HydrophobicContact CD1-CB 4.09Å; Y402-I441 HydrophobicContact CD1-CG1 4.37Å; Y402-I441 HydrophobicContact CD1-CG2 3.77Å; Y402-I441 HydrophobicContact CD2-CG1 4.02Å; Y402-I441 HydrophobicContact CE1-CB 4.37Å; Y402-I441 HydrophobicContact CE1-CG2 4.36Å; Y402-I441 HydrophobicContact CG-CB 4.15Å; Y402-I441 HydrophobicContact CG-CG1 3.9Å; Y402-I441 HydrophobicContact CG-CG2 4.04Å; Y402-V442 HydrophobicContact CE1-CG1 4.41Å
403	A	96.2	Very high	96.6	Very high	91 Å²	91	51.5 Å²	51.5	75%	0.752	30%	0.303	S	S	*	.	H	α-helix	trans	-66.6	-30.8	178.4	0	0	0	0	0	112.4	T401	T401-A403 PolarHBondContact O-N 3.06Å
404	Q	97.1	Very high	96.5	Very high	95 Å²	95	58 Å²	58	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-84.5	-22.3	175.5	-69	161.7	-53	0	0	112.6	L400 T401 Y402 N408	L400-Q404 HydrophobicContact CB-CB 4.32Å; L400-Q404 HydrophobicContact CD2-CB 4.4Å; T401-Q404 PolarHBondContact O-N 3.26Å; T401-Q404 PolarHBondContact OG1-N 2.87Å; T401-Q404 PolarHBondContact OG1-OE1 3.39Å; Y402-Q404 VanDerWaalsContact C-N 3.27Å; Y402-Q404 PolarHBondContact O-N 3.41Å; Q404-N408 WeakPolarHBondContact O-CB 3.43Å; Q404-N408 PolarHBondContact O-ND2 2.96Å
405	F	97.3	Very high	96.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-92.8	-42.6	-177.7	-165	-106.8	0	0	0	113.1	F198 L293 P294 F393 I395 L400 T401 Y402 F407 N408 V411 F424	F198-F405 HydrophobicContact CE1-CE1 4.16Å; F198-F405 HydrophobicContact CE2-CZ 4.21Å; F198-F405 AromaticContact CZ-CE1 3.61Å; F198-F405 HydrophobicContact CZ-CE1 3.61Å; F198-F405 AromaticContact CZ-CZ 3.71Å; F198-F405 HydrophobicContact CZ-CZ 3.71Å; L293-F405 HydrophobicContact CB-CE1 4.28Å; L293-F405 HydrophobicContact CD2-CD1 3.63Å; L293-F405 HydrophobicContact CD2-CE1 3.71Å; P294-F405 HydrophobicContact CB-CE2 3.8Å; P294-F405 HydrophobicContact CB-CZ 3.88Å; P294-F405 WeakPolarHBondContact CD-O 3.49Å; P294-F405 HydrophobicContact CG-CD2 3.93Å; P294-F405 HydrophobicContact CG-CE1 4.38Å; P294-F405 HydrophobicContact CG-CE2 3.71Å; P294-F405 HydrophobicContact CG-CG 4.37Å; P294-F405 HydrophobicContact CG-CZ 3.96Å; F393-F405 HydrophobicContact CB-CD2 4.11Å; F393-F405 HydrophobicContact CB-CE2 4.28Å; F393-F405 HydrophobicContact CB-CG 4.5Å; F393-F405 HydrophobicContact CD1-CD1 4.1Å; F393-F405 HydrophobicContact CD1-CD2 4.44Å; F393-F405 AromaticContact CD1-CE1 3.91Å; F393-F405 HydrophobicContact CD1-CE1 3.91Å; F393-F405 HydrophobicContact CD1-CE2 4.27Å; F393-F405 HydrophobicContact CD1-CG 4.36Å; F393-F405 HydrophobicContact CD1-CZ 4Å; F393-F405 HydrophobicContact CD2-CB 3.58Å; F393-F405 AromaticContact CD2-CD1 3.72Å; F393-F405 HydrophobicContact CD2-CD1 3.72Å; F393-F405 AromaticContact CD2-CD2 3.94Å; F393-F405 HydrophobicContact CD2-CD2 3.94Å; F393-F405 HydrophobicContact CD2-CE1 4.36Å; F393-F405 AromaticContact CD2-CG 3.48Å; F393-F405 HydrophobicContact CD2-CG 3.48Å; F393-F405 VanDerWaalsContact CD2-CG 3.48Å; F393-F405 AromaticContact CE1-CD1 3.86Å; F393-F405 HydrophobicContact CE1-CD1 3.86Å; F393-F405 AromaticContact CE1-CE1 3.7Å; F393-F405 HydrophobicContact CE1-CE1 3.7Å; F393-F405 HydrophobicContact CE1-CZ 4.23Å; F393-F405 HydrophobicContact CE2-CB 3.73Å; F393-F405 AromaticContact CE2-CD1 3.47Å; F393-F405 HydrophobicContact CE2-CD1 3.47Å; F393-F405 VanDerWaalsContact CE2-CD1 3.47Å; F393-F405 HydrophobicContact CE2-CE1 4.18Å; F393-F405 AromaticContact CE2-CG 3.67Å; F393-F405 HydrophobicContact CE2-CG 3.67Å; F393-F405 HydrophobicContact CG-CB 4.39Å; F393-F405 HydrophobicContact CG-CD1 4.04Å; F393-F405 AromaticContact CG-CD2 3.9Å; F393-F405 HydrophobicContact CG-CD2 3.9Å; F393-F405 HydrophobicContact CG-CE1 4.24Å; F393-F405 HydrophobicContact CG-CE2 4.12Å; F393-F405 AromaticContact CG-CG 3.86Å; F393-F405 HydrophobicContact CG-CG 3.86Å; F393-F405 HydrophobicContact CG-CZ 4.28Å; F393-F405 AromaticContact CZ-CD1 3.53Å; F393-F405 HydrophobicContact CZ-CD1 3.53Å; F393-F405 AromaticContact CZ-CE1 3.84Å; F393-F405 HydrophobicContact CZ-CE1 3.84Å; F393-F405 HydrophobicContact CZ-CG 4.18Å; I395-F405 HydrophobicContact CD1-CE2 4.06Å; L400-F405 HydrophobicContact CD1-CD2 4.25Å; T401-F405 PolarHBondContact O-N 3.4Å; Y402-F405 PolarHBondContact O-N 3.32Å; F405-F407 PolarHBondContact O-N 3.18Å; F405-N408 PolarHBondContact O-N 3.06Å; F405-V411 HydrophobicContact CE2-CG1 4.39Å; F405-F424 HydrophobicContact CE2-CE1 4.35Å; F405-F424 AromaticContact CE2-CZ 3.99Å; F405-F424 HydrophobicContact CE2-CZ 3.99Å; F405-F424 HydrophobicContact CZ-CE1 4.26Å; F405-F424 AromaticContact CZ-CZ 3.81Å; F405-F424 HydrophobicContact CZ-CZ 3.81Å
406	L	96.1	Very high	96.4	Very high	53 Å²	53	55 Å²	55	28%	0.277	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	131.6	-178.6	-73.8	167.1	0	0	0	111.5	L292 L293 Y402 N408 I441	L292-L406 HydrophobicContact CD1-CD2 3.93Å; L292-L406 HydrophobicContact CG-CD2 4.15Å; L293-L406 HydrophobicContact CD2-CD2 3.47Å; L293-L406 VanDerWaalsContact CD2-CD2 3.47Å; L293-L406 HydrophobicContact CD2-CG 4.35Å; L293-L406 HydrophobicContact CG-CD2 4.29Å; Y402-L406 HydrophobicContact CD1-CD1 4.19Å; Y402-L406 HydrophobicContact CD1-CG 4.47Å; Y402-L406 VanDerWaalsContact O-CB 3.28Å; Y402-L406 WeakPolarHBondContact O-CB 3.47Å; Y402-L406 WeakPolarHBondContact O-CG 3.23Å; Y402-L406 PolarHBondContact O-N 2.93Å; L406-N408 PolarHBondContact O-N 3.15Å; L406-I441 HydrophobicContact CD1-CG2 4.21Å
407	F	95.5	Very high	96.6	Very high	78 Å²	78	50.4 Å²	50.4	34%	0.342	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	15.4	-178.8	-58.6	-71.6	0	0	0	115.1	P274 L292 F405 T409	P274-F407 VanDerWaalsContact CD-CD1 3.47Å; P274-F407 HydrophobicContact CG-CB 3.93Å; P274-F407 HydrophobicContact CG-CD1 3.85Å; P274-F407 HydrophobicContact CG-CD2 3.9Å; P274-F407 HydrophobicContact CG-CE1 4.23Å; P274-F407 HydrophobicContact CG-CE2 4.29Å; P274-F407 HydrophobicContact CG-CG 3.63Å; P274-F407 HydrophobicContact CG-CZ 4.42Å; L292-F407 HydrophobicContact CB-CE1 4.22Å; L292-F407 HydrophobicContact CD1-CD1 4.06Å; L292-F407 HydrophobicContact CD1-CD2 4.11Å; L292-F407 HydrophobicContact CD1-CE1 3.45Å; L292-F407 VanDerWaalsContact CD1-CE1 3.45Å; L292-F407 HydrophobicContact CD1-CE2 3.5Å; L292-F407 VanDerWaalsContact CD1-CE2 3.5Å; L292-F407 HydrophobicContact CD1-CG 4.38Å; L292-F407 HydrophobicContact CD1-CZ 3.14Å; L292-F407 HydrophobicContact CG-CE1 4.44Å; L292-F407 HydrophobicContact CG-CZ 4.48Å; L292-F407 PolarHBondContact O-N 3.4Å; F405-F407 PolarHBondContact O-N 3.18Å; F407-T409 PolarHBondContact O-N 3.36Å
408	N	95.2	Very high	96.8	Very high	54 Å²	54	47.9 Å²	47.9	29%	0.289	26%	0.262	S	S	.	.			trans	-77.6	112.3	178.3	-169.6	-33.4	0	0	0	110.1	Q404 F405 L406 S410 V411	Q404-N408 WeakPolarHBondContact O-CB 3.43Å; Q404-N408 PolarHBondContact O-ND2 2.96Å; F405-N408 PolarHBondContact O-N 3.06Å; L406-N408 PolarHBondContact O-N 3.15Å; N408-S410 VanDerWaalsContact C-N 3.34Å; N408-S410 PolarHBondContact OD1-N 3.25Å; N408-S410 PolarHBondContact OD1-OG 3.07Å; N408-S410 VanDerWaalsContact OD1-OG 3.05Å; N408-V411 HydrophobicContact CB-CG2 3.93Å; N408-V411 VanDerWaalsContact CG-CG2 3.48Å; N408-V411 PolarHBondContact OD1-N 3.15Å
409	T	94.3	Very high	96.9	Very high	36 Å²	36	48.8 Å²	48.8	22%	0.221	26%	0.262	C	S	.	.	S	Bend	trans	-83.2	-7.7	-175.6	54.8	0	0	0	0	114.2	Y273 V277 R281 F407	Y273-T409 HydrophobicContact CD1-CG2 4.21Å; Y273-T409 HydrophobicContact CE1-CG2 3.66Å; V277-T409 HydrophobicContact CG1-CG2 3.79Å; R281-T409 WeakPolarHBondContact O-CB 3.46Å; R281-T409 WeakPolarHBondContact O-CG2 3.35Å; F407-T409 PolarHBondContact O-N 3.36Å
410	S	95.6	Very high	96.9	Very high	63 Å²	63	43.1 Å²	43.1	44%	0.441	24%	0.236	S	C	.	.	S	Bend	trans	-105.6	-20.5	-178.3	65.4	0	0	0	0	114.3	N408 L412 T413 H414	N408-S410 VanDerWaalsContact C-N 3.34Å; N408-S410 PolarHBondContact OD1-N 3.25Å; N408-S410 PolarHBondContact OD1-OG 3.07Å; N408-S410 VanDerWaalsContact OD1-OG 3.05Å; S410-L412 VanDerWaalsContact C-N 3.28Å; S410-L412 PolarHBondContact O-N 3.29Å; S410-T413 PolarHBondContact O-N 3.43Å; S410-T413 PolarHBondContact O-OG1 3.45Å; S410-H414 WeakPolarHBondContact O-CB 3.39Å; S410-H414 PolarHBondContact O-N 3.19Å
411	V	97	Very high	96.9	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-53.1	-46	-178.5	167.8	0	0	0	0	111.6	P294 I395 L400 F405 N408 Y415 L420	P294-V411 HydrophobicContact CB-CB 4.02Å; P294-V411 HydrophobicContact CB-CG1 3.68Å; P294-V411 HydrophobicContact CG-CB 3.71Å; P294-V411 HydrophobicContact CG-CG1 3.78Å; P294-V411 HydrophobicContact CG-CG2 4.27Å; I395-V411 HydrophobicContact CD1-CG1 4.1Å; L400-V411 HydrophobicContact CD1-CG1 4.44Å; L400-V411 HydrophobicContact CD1-CG2 3.97Å; F405-V411 HydrophobicContact CE2-CG1 4.39Å; N408-V411 HydrophobicContact CB-CG2 3.93Å; N408-V411 VanDerWaalsContact CG-CG2 3.48Å; N408-V411 PolarHBondContact OD1-N 3.15Å; V411-Y415 HydrophobicContact CG1-CD2 3.92Å; V411-Y415 HydrophobicContact CG1-CE2 4.16Å; V411-Y415 VanDerWaalsContact O-CD2 3.31Å; V411-Y415 WeakPolarHBondContact O-CD2 3.48Å; V411-Y415 PolarHBondContact O-N 3.03Å; V411-Y415 VanDerWaalsContact O-N 3.16Å; V411-L420 HydrophobicContact CG1-CD2 4.14Å
412	L	96.6	Very high	97	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-48.4	-179.2	178.2	57.5	0	0	0	112.9	Y260 M283 L298 S410 G416 L420	Y260-L412 HydrophobicContact CD1-CD2 4.2Å; Y260-L412 HydrophobicContact CD1-CG 4.15Å; Y260-L412 HydrophobicContact CE1-CD1 4.2Å; Y260-L412 HydrophobicContact CE1-CD2 4.36Å; Y260-L412 HydrophobicContact CE1-CG 3.82Å; M283-L412 HydrophobicContact CE-CD2 4.06Å; M283-L412 HydrophobicContact SD-CD2 3.95Å; L298-L412 HydrophobicContact CB-CD1 4.27Å; L298-L412 HydrophobicContact CD1-CD1 4.16Å; S410-L412 VanDerWaalsContact C-N 3.28Å; S410-L412 PolarHBondContact O-N 3.29Å; L412-G416 VanDerWaalsContact O-CA 3.31Å; L412-G416 WeakPolarHBondContact O-CA 3.25Å; L412-G416 PolarHBondContact O-N 2.86Å; L412-L420 HydrophobicContact CB-CD1 4.46Å; L412-L420 HydrophobicContact CD1-CD1 3.64Å
413	T	96.6	Very high	97	Very high	34 Å²	34	41.4 Å²	41.4	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-79.2	-28.4	-177.7	53	0	0	0	0	112.8	V255 Y260 M283 S410	V255-T413 HydrophobicContact CB-CG2 4.42Å; V255-T413 HydrophobicContact CG1-CG2 4.23Å; V255-T413 HydrophobicContact CG2-CG2 4.45Å; Y260-T413 HydrophobicContact CD1-CG2 4.23Å; Y260-T413 HydrophobicContact CD2-CG2 4.15Å; Y260-T413 HydrophobicContact CE1-CG2 4.15Å; Y260-T413 HydrophobicContact CE2-CG2 4.04Å; Y260-T413 HydrophobicContact CG-CG2 4.23Å; M283-T413 HydrophobicContact CE-CG2 3.78Å; S410-T413 PolarHBondContact O-N 3.43Å; S410-T413 PolarHBondContact O-OG1 3.45Å
414	H	96.7	Very high	97.1	Very high	135 Å²	135	37.1 Å²	37.1	63%	0.625	19%	0.191	S	C	*	.	H	α-helix	trans	-70	-49.7	179.9	179.3	65.5	0	0	0	112.4	S410	S410-H414 WeakPolarHBondContact O-CB 3.39Å; S410-H414 PolarHBondContact O-N 3.19Å
415	Y	97.3	Very high	97.2	Very high	23 Å²	23	32.6 Å²	32.6	9%	0.09	17%	0.17	C	C	.	.	H	α-helix	trans	-84.8	-30.8	178.5	-65.4	-76	0	0	0	112.3	I395 D396 D398 L400 V411 K419	I395-Y415 HydrophobicContact CB-CE1 4.46Å; I395-Y415 HydrophobicContact CB-CE2 4.42Å; I395-Y415 HydrophobicContact CG2-CD1 3.63Å; I395-Y415 HydrophobicContact CG2-CD2 3.77Å; I395-Y415 HydrophobicContact CG2-CE1 3.88Å; I395-Y415 HydrophobicContact CG2-CE2 4.02Å; I395-Y415 HydrophobicContact CG2-CG 3.57Å; D396-Y415 HydrophobicContact CB-CD1 3.92Å; D396-Y415 HydrophobicContact CB-CE1 4.01Å; D398-Y415 WeakPolarHBondContact CB-OH 3.38Å; D398-Y415 WeakPolarHBondContact OD2-CE1 3.44Å; D398-Y415 PolarHBondContact OD2-OH 3.02Å; L400-Y415 HydrophobicContact CD1-CE2 4.41Å; V411-Y415 HydrophobicContact CG1-CD2 3.92Å; V411-Y415 HydrophobicContact CG1-CE2 4.16Å; V411-Y415 VanDerWaalsContact O-CD2 3.31Å; V411-Y415 WeakPolarHBondContact O-CD2 3.48Å; V411-Y415 PolarHBondContact O-N 3.03Å; V411-Y415 VanDerWaalsContact O-N 3.16Å; Y415-K419 WeakPolarHBondContact O-CD 3.5Å
416	G	97.4	Very high	97.3	Very high	9 Å²	9	38.6 Å²	38.6	9%	0.093	19%	0.193	C	C	.	.	H	α-helix	trans	81.8	167.4	-173	0	0	0	0	0	113.4	L412 E418 L420	L412-G416 VanDerWaalsContact O-CA 3.31Å; L412-G416 WeakPolarHBondContact O-CA 3.25Å; L412-G416 PolarHBondContact O-N 2.86Å; G416-E418 PolarHBondContact O-N 3.2Å; G416-L420 WeakPolarHBondContact O-CG 3.26Å; G416-L420 PolarHBondContact O-N 2.77Å
417	V	98.2	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-45.2	-175.5	170.7	0	0	0	0	111	Y260 L298 T301 L302 L420 V421	Y260-V417 HydrophobicContact CE1-CG2 4.43Å; L298-V417 HydrophobicContact CD1-CB 4.13Å; L298-V417 HydrophobicContact CD1-CG1 3.84Å; L298-V417 HydrophobicContact CD1-CG2 4.14Å; T301-V417 HydrophobicContact CG2-CG2 4Å; L302-V417 HydrophobicContact CD2-CG1 3.66Å; L302-V417 HydrophobicContact CG-CG1 4.26Å; V417-L420 PolarHBondContact O-N 2.92Å; V417-V421 HydrophobicContact CG1-CG2 4.23Å; V417-V421 VanDerWaalsContact O-CG2 3.31Å; V417-V421 WeakPolarHBondContact O-CG2 3.26Å; V417-V421 PolarHBondContact O-N 2.77Å
418	E	98	Very high	97.5	Very high	32 Å²	32	35.4 Å²	35.4	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-47	-171.6	-65.3	89.2	158.1	0	0	112.7	G416 V421 D422 R571 P574	G416-E418 PolarHBondContact O-N 3.2Å; E418-V421 PolarHBondContact O-N 2.86Å; E418-D422 PolarHBondContact O-N 2.82Å; E418-R571 PolarHBondContact OE1-N 3.29Å; E418-P574 HydrophobicContact CB-CG 4.49Å
419	K	98.2	Very high	97.7	Very high	96 Å²	96	32.8 Å²	32.8	42%	0.417	17%	0.166	S	C	.	.	H	α-helix	trans	-66.2	-39.4	179	-68.5	-172.3	175.6	-174.1	0	111.7	D396 Y415 A423	D396-K419 HydrophobicContact CB-CD 4.17Å; D396-K419 IonicContact OD1-NZ 3.66Å; D396-K419 WeakPolarHBondContact OD2-CD 3.46Å; D396-K419 WeakPolarHBondContact OD2-CE 3.31Å; D396-K419 IonicContact OD2-NZ 2.7Å; D396-K419 PolarHBondContact OD2-NZ 2.8Å; Y415-K419 WeakPolarHBondContact O-CD 3.5Å; K419-A423 WeakPolarHBondContact O-CB 3.29Å; K419-A423 PolarHBondContact O-N 3.19Å
420	L	98.5	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-41.6	176.7	-73.3	171.2	0	0	0	112.1	L298 I395 V411 L412 G416 V417 F424	L298-L420 HydrophobicContact CD1-CB 4.18Å; L298-L420 HydrophobicContact CD2-CB 4.07Å; I395-L420 HydrophobicContact CD1-CD2 3.61Å; I395-L420 HydrophobicContact CG1-CD2 4.05Å; I395-L420 HydrophobicContact CG2-CD2 3.76Å; V411-L420 HydrophobicContact CG1-CD2 4.14Å; L412-L420 HydrophobicContact CB-CD1 4.46Å; L412-L420 HydrophobicContact CD1-CD1 3.64Å; G416-L420 WeakPolarHBondContact O-CG 3.26Å; G416-L420 PolarHBondContact O-N 2.77Å; V417-L420 PolarHBondContact O-N 2.92Å; L420-F424 HydrophobicContact CB-CD2 4.37Å; L420-F424 HydrophobicContact CB-CE2 4.06Å; L420-F424 HydrophobicContact CD2-CE1 4.44Å; L420-F424 HydrophobicContact CD2-CE2 3.99Å; L420-F424 HydrophobicContact CD2-CZ 3.74Å; L420-F424 VanDerWaalsContact O-CB 3.3Å; L420-F424 WeakPolarHBondContact O-CB 3.39Å; L420-F424 WeakPolarHBondContact O-CD2 3.48Å; L420-F424 WeakPolarHBondContact O-CG 3.47Å; L420-F424 PolarHBondContact O-N 2.92Å
421	V	98.8	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-46.9	175.6	171.8	0	0	0	0	110.9	M195 L298 L302 V417 E418 S425 V566 P574 V576	M195-V421 HydrophobicContact CE-CG1 4.21Å; M195-V421 HydrophobicContact CE-CG2 4.08Å; M195-V421 HydrophobicContact SD-CG1 4.49Å; L298-V421 HydrophobicContact CD1-CG2 4.15Å; L298-V421 HydrophobicContact CD2-CG2 4.01Å; L298-V421 HydrophobicContact CG-CG2 4.46Å; L302-V421 HydrophobicContact CD1-CG2 4.4Å; V417-V421 HydrophobicContact CG1-CG2 4.23Å; V417-V421 VanDerWaalsContact O-CG2 3.31Å; V417-V421 WeakPolarHBondContact O-CG2 3.26Å; V417-V421 PolarHBondContact O-N 2.77Å; E418-V421 PolarHBondContact O-N 2.86Å; V421-S425 WeakPolarHBondContact O-CB 3.31Å; V421-S425 PolarHBondContact O-N 3.09Å; V421-S425 PolarHBondContact O-OG 2.87Å; V421-V566 HydrophobicContact CB-CG1 4.45Å; V421-V566 HydrophobicContact CG1-CG1 4Å; V421-V566 HydrophobicContact CG1-CG2 4.29Å; V421-V566 HydrophobicContact CG2-CG1 4.16Å; V421-V566 HydrophobicContact CG2-CG2 4.28Å; V421-P574 HydrophobicContact CB-CG 3.94Å; V421-P574 HydrophobicContact CG1-CG 3.79Å; V421-V576 HydrophobicContact CG1-CB 3.76Å; V421-V576 HydrophobicContact CG1-CG2 3.91Å
422	D	98.4	Very high	98.1	Very high	47 Å²	47	28.6 Å²	28.6	25%	0.251	14%	0.137	S	C	.	.	H	α-helix	trans	-61.1	-48.4	178.7	-173.8	82	0	0	0	111.1	E418 S425 R426 P574 Y575	E418-D422 PolarHBondContact O-N 2.82Å; D422-S425 PolarHBondContact O-N 2.65Å; D422-R426 VanDerWaalsContact O-CG 3.3Å; D422-R426 WeakPolarHBondContact O-CG 3.41Å; D422-R426 PolarHBondContact O-N 3.3Å; D422-R426 VanDerWaalsContact O-N 3.11Å; D422-R426 IonicContact OD1-CZ 3.45Å; D422-R426 IonicContact OD1-NE 3.06Å; D422-R426 PolarHBondContact OD1-NE 3.43Å; D422-R426 IonicContact OD1-NH2 2.94Å; D422-R426 PolarHBondContact OD1-NH2 3.25Å; D422-R426 WeakPolarHBondContact OD2-CD 3.23Å; D422-R426 IonicContact OD2-CZ 3.78Å; D422-R426 IonicContact OD2-NE 2.8Å; D422-R426 PolarHBondContact OD2-NE 3.44Å; D422-R426 IonicContact OD2-NH2 3.87Å; D422-P574 HydrophobicContact CB-CB 3.98Å; D422-Y575 WeakPolarHBondContact OD1-CB 3.48Å
423	A	98.5	Very high	98.1	Very high	11 Å²	11	28.2 Å²	28.2	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-52.5	177.7	0	0	0	0	0	112.4	H394 I395 K419 S425 R426 Q427	H394-A423 WeakPolarHBondContact O-CB 3.43Å; I395-A423 HydrophobicContact CB-CB 4.36Å; I395-A423 HydrophobicContact CG1-CB 4.28Å; I395-A423 HydrophobicContact CG2-CB 4.27Å; K419-A423 WeakPolarHBondContact O-CB 3.29Å; K419-A423 PolarHBondContact O-N 3.19Å; A423-S425 VanDerWaalsContact C-N 3.27Å; A423-S425 PolarHBondContact O-N 3.38Å; A423-R426 PolarHBondContact O-N 3.22Å; A423-R426 VanDerWaalsContact O-N 3.16Å; A423-Q427 PolarHBondContact O-N 2.71Å
424	F	98.7	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.9	-26.7	-179.5	-63.6	-27.5	0	0	0	112.9	N193 M194 M195 F198 L298 I395 F405 L420 R426	N193-F424 WeakPolarHBondContact CB-O 3.42Å; M194-F424 CarbonylContact C-O 3.56Å; M194-F424 WeakPolarHBondContact CA-O 3.41Å; M194-F424 HydrophobicContact CB-CB 3.85Å; M194-F424 HydrophobicContact CB-CD1 4Å; M194-F424 HydrophobicContact CB-CG 4.17Å; M194-F424 WeakPolarHBondContact CB-O 3.38Å; M194-F424 PolarHBondContact N-O 3.45Å; M195-F424 HydrophobicContact CB-CB 4.29Å; M195-F424 PolarHBondContact N-O 3.1Å; F198-F424 HydrophobicContact CD2-CD1 4.38Å; F198-F424 AromaticContact CD2-CD2 3.87Å; F198-F424 HydrophobicContact CD2-CD2 3.87Å; F198-F424 HydrophobicContact CD2-CE1 4.49Å; F198-F424 AromaticContact CD2-CE2 3.99Å; F198-F424 HydrophobicContact CD2-CE2 3.99Å; F198-F424 HydrophobicContact CD2-CG 4.09Å; F198-F424 HydrophobicContact CD2-CZ 4.31Å; F198-F424 AromaticContact CE2-CD1 3.91Å; F198-F424 HydrophobicContact CE2-CD1 3.91Å; F198-F424 HydrophobicContact CE2-CD2 4.06Å; F198-F424 AromaticContact CE2-CE1 3.74Å; F198-F424 HydrophobicContact CE2-CE1 3.74Å; F198-F424 AromaticContact CE2-CE2 3.89Å; F198-F424 HydrophobicContact CE2-CE2 3.89Å; F198-F424 HydrophobicContact CE2-CG 4.08Å; F198-F424 AromaticContact CE2-CZ 3.73Å; F198-F424 HydrophobicContact CE2-CZ 3.73Å; L298-F424 HydrophobicContact CD2-CD2 3.65Å; L298-F424 HydrophobicContact CD2-CE2 3.86Å; I395-F424 HydrophobicContact CD1-CE1 4.18Å; I395-F424 HydrophobicContact CD1-CZ 4.34Å; I395-F424 HydrophobicContact CG1-CE1 4.18Å; F405-F424 HydrophobicContact CE2-CE1 4.35Å; F405-F424 AromaticContact CE2-CZ 3.99Å; F405-F424 HydrophobicContact CE2-CZ 3.99Å; F405-F424 HydrophobicContact CZ-CE1 4.26Å; F405-F424 AromaticContact CZ-CZ 3.81Å; F405-F424 HydrophobicContact CZ-CZ 3.81Å; L420-F424 HydrophobicContact CB-CD2 4.37Å; L420-F424 HydrophobicContact CB-CE2 4.06Å; L420-F424 HydrophobicContact CD2-CE1 4.44Å; L420-F424 HydrophobicContact CD2-CE2 3.99Å; L420-F424 HydrophobicContact CD2-CZ 3.74Å; L420-F424 VanDerWaalsContact O-CB 3.3Å; L420-F424 WeakPolarHBondContact O-CB 3.39Å; L420-F424 WeakPolarHBondContact O-CD2 3.48Å; L420-F424 WeakPolarHBondContact O-CG 3.47Å; L420-F424 PolarHBondContact O-N 2.92Å; F424-R426 VanDerWaalsContact C-N 3.3Å
425	S	98.6	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-75.3	-21.6	175.8	-59.8	0	0	0	0	112.6	N193 V421 D422 A423 Y575	N193-S425 VanDerWaalsContact ND2-CA 3.33Å; N193-S425 WeakPolarHBondContact ND2-CA 3.49Å; N193-S425 PolarHBondContact ND2-O 3.46Å; V421-S425 WeakPolarHBondContact O-CB 3.31Å; V421-S425 PolarHBondContact O-N 3.09Å; V421-S425 PolarHBondContact O-OG 2.87Å; D422-S425 PolarHBondContact O-N 2.65Å; A423-S425 VanDerWaalsContact C-N 3.27Å; A423-S425 PolarHBondContact O-N 3.38Å; S425-Y575 VanDerWaalsContact CB-CD1 3.5Å; S425-Y575 WeakPolarHBondContact CB-O 3.22Å; S425-Y575 PolarHBondContact OG-O 3.02Å
426	R	98.3	Very high	98.1	Very high	126 Å²	126	20.8 Å²	20.8	48%	0.475	10%	0.103	S	C	.	.	H	α-helix	trans	-96.6	-31.3	178.7	-68	174.4	-171.1	-75.2	-7.3	113.7	D422 A423 F424 V428 Y575 V580 P581	D422-R426 VanDerWaalsContact O-CG 3.3Å; D422-R426 WeakPolarHBondContact O-CG 3.41Å; D422-R426 PolarHBondContact O-N 3.3Å; D422-R426 VanDerWaalsContact O-N 3.11Å; D422-R426 IonicContact OD1-CZ 3.45Å; D422-R426 IonicContact OD1-NE 3.06Å; D422-R426 PolarHBondContact OD1-NE 3.43Å; D422-R426 IonicContact OD1-NH2 2.94Å; D422-R426 PolarHBondContact OD1-NH2 3.25Å; D422-R426 WeakPolarHBondContact OD2-CD 3.23Å; D422-R426 IonicContact OD2-CZ 3.78Å; D422-R426 IonicContact OD2-NE 2.8Å; D422-R426 PolarHBondContact OD2-NE 3.44Å; D422-R426 IonicContact OD2-NH2 3.87Å; A423-R426 PolarHBondContact O-N 3.22Å; A423-R426 VanDerWaalsContact O-N 3.16Å; F424-R426 VanDerWaalsContact C-N 3.3Å; R426-V428 PolarHBondContact O-N 3.49Å; R426-Y575 HydrophobicContact CG-CD1 4.24Å; R426-V580 WeakPolarHBondContact O-CG1 3.33Å; R426-P581 HydrophobicContact CG-CG 4.17Å
427	Q	98.4	Very high	98.1	Very high	20 Å²	20	20.4 Å²	20.4	9%	0.093	10%	0.1	C	C	.	.	S	Bend	trans	-74.2	119.8	-179.9	-174.4	173.6	6.2	0	0	110.7	N193 M194 T392 A423	N193-Q427 CarbonylContact C-O 3.45Å; N193-Q427 WeakPolarHBondContact CA-O 3.22Å; N193-Q427 VanDerWaalsContact CB-O 3.27Å; N193-Q427 WeakPolarHBondContact CB-O 3.38Å; M194-Q427 HydrophobicContact CB-CB 4.49Å; M194-Q427 HydrophobicContact CG-CB 3.92Å; M194-Q427 HydrophobicContact CG-CG 3.85Å; M194-Q427 PolarHBondContact N-O 3.23Å; T392-Q427 PolarHBondContact O-NE2 3.28Å; A423-Q427 PolarHBondContact O-N 2.71Å
428	V	98.4	Very high	98.1	Very high	44 Å²	44	20.5 Å²	20.5	27%	0.267	10%	0.1	S	C	.	.	B	Isolated β-bridge	trans	-66.1	140.4	177.3	67.3	0	0	0	0	111.7	F185 P187 R426 V580	F185-V428 HydrophobicContact CE1-CG1 3.96Å; F185-V428 HydrophobicContact CZ-CG1 4.42Å; P187-V428 HydrophobicContact CB-CG1 4.08Å; P187-V428 HydrophobicContact CB-CG2 3.74Å; R426-V428 PolarHBondContact O-N 3.49Å; V428-V580 HydrophobicContact CB-CG1 3.96Å; V428-V580 HydrophobicContact CG2-CG1 4.4Å
429	A	98.8	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-91	162.3	173.1	0	0	0	0	0	111.2	D188 S192 M194 A197 L388	D188-A429 PolarHBondContact N-O 2.92Å; S192-A429 PolarHBondContact O-N 3.17Å; M194-A429 HydrophobicContact SD-CB 4.26Å; A197-A429 HydrophobicContact CB-CB 4.49Å; L388-A429 HydrophobicContact CB-CB 4.4Å; L388-A429 HydrophobicContact CD2-CB 3.87Å; L388-A429 WeakPolarHBondContact O-CA 3.2Å; L388-A429 WeakPolarHBondContact O-CB 3.38Å
430	G	98.5	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-79.9	149.7	179	0	0	0	0	0	113.8	F185 R186 P387 L388	F185-G430 VanDerWaalsContact CE2-CA 3.47Å; R186-G430 WeakPolarHBondContact O-CA 3.44Å; P387-G430 WeakPolarHBondContact O-CA 3.29Å; L388-G430 WeakPolarHBondContact CD2-O 3.3Å; L388-G430 PolarHBondContact O-N 3.33Å
431	Q	98.4	Very high	97.8	Very high	13 Å²	13	22.2 Å²	22.2	6%	0.061	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-63	137.9	171.3	-167.2	176.3	7.3	0	0	111.6	R186 P387 N437 T510 T514 I515	R186-Q431 HydrophobicContact CG-CB 4.34Å; R186-Q431 PolarHBondContact O-N 2.89Å; P387-Q431 VanDerWaalsContact CB-O 3.32Å; P387-Q431 WeakPolarHBondContact CB-O 3.43Å; Q431-N437 PolarHBondContact N-ND2 3.45Å; Q431-N437 VanDerWaalsContact N-ND2 3.14Å; Q431-N437 PolarHBondContact O-ND2 3.46Å; Q431-T510 PolarHBondContact NE2-OG1 3.19Å; Q431-T514 PolarHBondContact NE2-O 3.14Å; Q431-I515 VanDerWaalsContact CG-O 3.27Å; Q431-I515 WeakPolarHBondContact CG-O 3.45Å
432	I	98.3	Very high	97.6	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	13%	0.128	C	C	.	.			trans	-81.9	-55.4	-175	-63.8	166	0	0	0	112.3	W385 L388 L506 I515 F516 M520	W385-I432 HydrophobicContact CB-CD1 3.83Å; W385-I432 HydrophobicContact CB-CG1 4.14Å; W385-I432 HydrophobicContact CD2-CD1 3.59Å; W385-I432 HydrophobicContact CE3-CD1 3.73Å; W385-I432 HydrophobicContact CG-CD1 3.63Å; W385-I432 HydrophobicContact CG-CG1 4.31Å; W385-I432 HydrophobicContact CG-CG2 4.26Å; W385-I432 HydrophobicContact CZ3-CD1 4.48Å; L388-I432 HydrophobicContact CD1-CD1 4.27Å; L388-I432 HydrophobicContact CD2-CD1 4.11Å; L388-I432 HydrophobicContact CD2-CG1 4.05Å; L388-I432 HydrophobicContact CG-CD1 4.09Å; L388-I432 HydrophobicContact CG-CG1 3.93Å; I432-L506 HydrophobicContact CG2-CD2 4Å; I432-I515 HydrophobicContact CB-CG1 4.19Å; I432-I515 HydrophobicContact CD1-CD1 3.63Å; I432-I515 HydrophobicContact CD1-CG1 3.9Å; I432-I515 HydrophobicContact CG1-CD1 3.95Å; I432-I515 HydrophobicContact CG1-CG1 3.88Å; I432-I515 PolarHBondContact N-O 2.93Å; I432-F516 HydrophobicContact CB-CB 4.44Å; I432-F516 HydrophobicContact CD1-CD1 4.13Å; I432-M520 HydrophobicContact CG2-CE 4.16Å
433	G	96.6	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-84.9	174	-176.6	0	0	0	0	0	113.4	R186 L506 T510 I515	R186-G433 PolarHBondContact NH2-O 2.72Å; G433-L506 CarbonylContact C-O 3.16Å; G433-T510 VanDerWaalsContact C-CG2 3.43Å; G433-I515 PolarHBondContact N-O 2.84Å
434	G	96.1	Very high	97.4	Very high	13 Å²	13	29.3 Å²	29.3	13%	0.134	15%	0.151	C	C	.	.	S	Bend	trans	85.7	7.2	176.5	0	0	0	0	0	115.9	L506 E508	G434-L506 PolarHBondContact N-O 3.05Å; G434-E508 PolarHBondContact N-O 2.75Å
435	G	96.8	Very high	97.3	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	17%	0.167	C	C	.	.	S	Bend	trans	69.6	177.6	176.8	0	0	0	0	0	115.8	R186 N437 L506	R186-G435 PolarHBondContact NH1-O 2.9Å; R186-G435 VanDerWaalsContact NH1-O 3.14Å; R186-G435 PolarHBondContact NH2-O 3.01Å; G435-N437 VanDerWaalsContact C-N 3.28Å; G435-N437 PolarHBondContact O-N 3.34Å; G435-N437 VanDerWaalsContact O-N 3.12Å; G435-L506 PolarHBondContact N-O 3.04Å
436	H	97.4	Very high	97.3	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.083	17%	0.167	C	C	.	.	S	Bend	trans	48.8	34.9	174.9	-56.9	139.9	0	0	0	116.8	K178 L179 L180 K181 R182 R183	K178-H436 PolarHBondContact O-CD2 2.77Å; K178-H436 PolarHBondContact O-NE2 3.44Å; L179-H436 VanDerWaalsContact C-CD2 3.49Å; L179-H436 PolarHBondContact O-CD2 2.77Å; L179-H436 PolarHBondContact O-N 2.68Å; L180-H436 CarbonylContact O-C 3.35Å; K181-H436 WeakPolarHBondContact O-CA 3.43Å; R182-H436 WeakPolarHBondContact CA-O 3.44Å; R183-H436 PolarHBondContact NH2-NE2 3.37Å
437	N	98.1	Very high	97.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	15%	0.149	C	C	.	.			trans	-134.2	11.6	-178.9	-156.1	28.3	0	0	0	114.9	L180 R182 R186 P387 Q431 G435	L180-N437 PolarHBondContact O-N 2.9Å; L180-N437 VanDerWaalsContact O-N 3.13Å; R182-N437 VanDerWaalsContact CZ-O 3.29Å; R182-N437 PolarHBondContact NE-O 3.27Å; R182-N437 PolarHBondContact NE-OD1 3.16Å; R182-N437 VanDerWaalsContact NE-OD1 3.07Å; R182-N437 PolarHBondContact NH2-O 3.01Å; R186-N437 PolarHBondContact N-OD1 3.03Å; R186-N437 PolarHBondContact O-ND2 3.43Å; P387-N437 HydrophobicContact CB-CB 4.37Å; Q431-N437 PolarHBondContact N-ND2 3.45Å; Q431-N437 VanDerWaalsContact N-ND2 3.14Å; Q431-N437 PolarHBondContact O-ND2 3.46Å; G435-N437 VanDerWaalsContact C-N 3.28Å; G435-N437 PolarHBondContact O-N 3.34Å; G435-N437 VanDerWaalsContact O-N 3.12Å
438	M	97.4	Very high	97.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-82.5	116.8	177	-170.3	75.3	66.8	0	0	111.5	L180 K181 R182 H386 P387 A440 V442 A446 L506	L180-M438 HydrophobicContact CB-CB 4.46Å; L180-M438 WeakPolarHBondContact O-CB 3.36Å; L180-M438 PolarHBondContact O-N 3.39Å; K181-M438 CarbonylContact C-O 3.59Å; R182-M438 VanDerWaalsContact CB-O 3.25Å; R182-M438 WeakPolarHBondContact CB-O 3.46Å; R182-M438 PolarHBondContact N-O 2.9Å; H386-M438 HydrophobicContact CB-CE 4.18Å; H386-M438 HydrophobicContact CB-SD 3.27Å; H386-M438 WeakPolarHBondContact CB-SD 3.47Å; P387-M438 HydrophobicContact CG-CE 3.74Å; P387-M438 HydrophobicContact CG-SD 4.06Å; M438-A440 PolarHBondContact O-N 3.1Å; M438-V442 HydrophobicContact CG-CG2 4.39Å; M438-V442 HydrophobicContact SD-CG2 4.15Å; M438-A446 HydrophobicContact CE-CB 4.07Å; M438-L506 HydrophobicContact CE-CD1 3.75Å
439	N	97.4	Very high	97.3	Very high	14 Å²	14	31.3 Å²	31.3	8%	0.075	16%	0.161	C	C	.	.			trans	-57	139.9	176.9	-176.2	-75.3	0	0	0	111.5	P390 D391 I441 V442 S443	P390-N439 PolarHBondContact O-ND2 3.18Å; D391-N439 PolarHBondContact OD1-ND2 2.78Å; N439-I441 PolarHBondContact O-N 3.2Å; N439-I441 WeakPolarHBondContact OD1-CB 3.43Å; N439-I441 WeakPolarHBondContact OD1-CG1 3.44Å; N439-I441 PolarHBondContact OD1-N 2.96Å; N439-V442 HydrophobicContact CB-CG2 4.13Å; N439-V442 WeakPolarHBondContact O-CG2 3.1Å; N439-V442 PolarHBondContact O-N 3.33Å; N439-V442 VanDerWaalsContact O-N 3.11Å; N439-S443 PolarHBondContact O-N 3.3Å; N439-S443 VanDerWaalsContact O-N 3.13Å
440	A	96.5	Very high	97.3	Very high	52 Å²	52	31.3 Å²	31.3	43%	0.43	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.1	-174.8	0	0	0	0	0	114	M438 V442 S443	M438-A440 PolarHBondContact O-N 3.1Å; A440-V442 VanDerWaalsContact C-N 3.31Å; A440-V442 PolarHBondContact O-N 2.91Å; A440-S443 PolarHBondContact O-OG 3.42Å; A440-S443 VanDerWaalsContact O-OG 3.08Å
441	I	95.8	Very high	97.3	Very high	97 Å²	97	35 Å²	35	50%	0.497	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.2	179.1	-58.8	-61.9	0	0	0	111.4	Y402 L406 N439	Y402-I441 HydrophobicContact CD1-CB 4.09Å; Y402-I441 HydrophobicContact CD1-CG1 4.37Å; Y402-I441 HydrophobicContact CD1-CG2 3.77Å; Y402-I441 HydrophobicContact CD2-CG1 4.02Å; Y402-I441 HydrophobicContact CE1-CB 4.37Å; Y402-I441 HydrophobicContact CE1-CG2 4.36Å; Y402-I441 HydrophobicContact CG-CB 4.15Å; Y402-I441 HydrophobicContact CG-CG1 3.9Å; Y402-I441 HydrophobicContact CG-CG2 4.04Å; L406-I441 HydrophobicContact CD1-CG2 4.21Å; N439-I441 PolarHBondContact O-N 3.2Å; N439-I441 WeakPolarHBondContact OD1-CB 3.43Å; N439-I441 WeakPolarHBondContact OD1-CG1 3.44Å; N439-I441 PolarHBondContact OD1-N 2.96Å
442	V	94.9	Very high	97.2	Very high	24 Å²	24	35.6 Å²	35.6	15%	0.145	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-2.6	-176.1	-61.4	0	0	0	0	113.5	H386 Y402 M438 N439 A440 K444 V445	H386-V442 HydrophobicContact CB-CB 4.49Å; H386-V442 HydrophobicContact CB-CG2 4.01Å; Y402-V442 HydrophobicContact CE1-CG1 4.41Å; M438-V442 HydrophobicContact CG-CG2 4.39Å; M438-V442 HydrophobicContact SD-CG2 4.15Å; N439-V442 HydrophobicContact CB-CG2 4.13Å; N439-V442 WeakPolarHBondContact O-CG2 3.1Å; N439-V442 PolarHBondContact O-N 3.33Å; N439-V442 VanDerWaalsContact O-N 3.11Å; A440-V442 VanDerWaalsContact C-N 3.31Å; A440-V442 PolarHBondContact O-N 2.91Å; V442-K444 PolarHBondContact O-N 3.29Å; V442-V445 VanDerWaalsContact O-CB 3.31Å; V442-V445 WeakPolarHBondContact O-CB 3.14Å; V442-V445 WeakPolarHBondContact O-CG2 3.23Å; V442-V445 PolarHBondContact O-N 3.43Å
443	S	95.7	Very high	97.2	Very high	14 Å²	14	35.6 Å²	35.6	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-28.8	-178.9	69.5	0	0	0	0	113.5	N439 A440 V445 A446 V447	N439-S443 PolarHBondContact O-N 3.3Å; N439-S443 VanDerWaalsContact O-N 3.13Å; A440-S443 PolarHBondContact O-OG 3.42Å; A440-S443 VanDerWaalsContact O-OG 3.08Å; S443-V445 PolarHBondContact O-N 3.43Å; S443-A446 WeakPolarHBondContact O-CB 3.4Å; S443-A446 PolarHBondContact O-N 3.1Å; S443-V447 PolarHBondContact O-N 3.25Å; S443-V447 VanDerWaalsContact O-N 3.15Å
444	K	96.3	Very high	97.3	Very high	170 Å²	170	38.5 Å²	38.5	74%	0.739	19%	0.191	S	C	*	.	H	α-helix	trans	-60.8	-27	173.6	-67.8	-175.9	-179.1	177.5	0	112.9	V442 R448	V442-K444 PolarHBondContact O-N 3.29Å; K444-R448 PolarHBondContact O-N 3.31Å; K444-R448 VanDerWaalsContact O-N 3.13Å
445	V	97.1	Very high	97.3	Very high	54 Å²	54	44.3 Å²	44.3	33%	0.327	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-45.5	174.4	-174.2	0	0	0	0	109.5	H386 V442 S443 V447 R448 T449	H386-V445 VanDerWaalsContact CE1-CG1 3.49Å; H386-V445 WeakPolarHBondContact CE1-CG1 3.36Å; V442-V445 VanDerWaalsContact O-CB 3.31Å; V442-V445 WeakPolarHBondContact O-CB 3.14Å; V442-V445 WeakPolarHBondContact O-CG2 3.23Å; V442-V445 PolarHBondContact O-N 3.43Å; S443-V445 PolarHBondContact O-N 3.43Å; V445-V447 PolarHBondContact O-N 3Å; V445-R448 WeakPolarHBondContact O-CB 2.8Å; V445-R448 PolarHBondContact O-N 3.37Å; V445-R448 VanDerWaalsContact O-N 3.09Å; V445-T449 PolarHBondContact O-N 3.22Å; V445-T449 PolarHBondContact O-OG1 3.41Å
446	A	98.1	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-42.3	176.7	0	0	0	0	0	112.6	V176 L180 M438 S443 R448 T449 I450 Y502	V176-A446 HydrophobicContact CG1-CB 4.5Å; V176-A446 HydrophobicContact CG2-CB 4.1Å; L180-A446 HydrophobicContact CD1-CB 4.4Å; M438-A446 HydrophobicContact CE-CB 4.07Å; S443-A446 WeakPolarHBondContact O-CB 3.4Å; S443-A446 PolarHBondContact O-N 3.1Å; A446-R448 VanDerWaalsContact C-N 3.29Å; A446-R448 PolarHBondContact O-N 3.11Å; A446-T449 PolarHBondContact O-N 2.8Å; A446-I450 WeakPolarHBondContact O-CG1 3.3Å; A446-I450 PolarHBondContact O-N 2.94Å; A446-Y502 HydrophobicContact CB-CE1 3.92Å
447	V	98.6	Very high	97.4	Very high	17 Å²	17	46.4 Å²	46.4	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-54.9	-47.7	172.9	172.6	0	0	0	0	110.6	P172 E173 V176 S443 V445 I450 K451	P172-V447 HydrophobicContact CB-CG1 4.11Å; E173-V447 HydrophobicContact CG-CG1 3.93Å; E173-V447 HydrophobicContact CG-CG2 4.24Å; E173-V447 WeakPolarHBondContact OE1-CG1 3.11Å; V176-V447 HydrophobicContact CB-CG2 3.9Å; V176-V447 HydrophobicContact CG1-CG2 4.09Å; V176-V447 HydrophobicContact CG2-CG2 3.71Å; S443-V447 PolarHBondContact O-N 3.25Å; S443-V447 VanDerWaalsContact O-N 3.15Å; V445-V447 PolarHBondContact O-N 3Å; V447-I450 PolarHBondContact O-N 3.46Å; V447-K451 HydrophobicContact CG1-CD 4.33Å; V447-K451 WeakPolarHBondContact O-CG 3.49Å; V447-K451 PolarHBondContact O-N 3.49Å
448	R	97.8	Very high	97.4	Very high	157 Å²	157	46.5 Å²	46.5	59%	0.592	22%	0.222	S	C	*	.	H	α-helix	trans	-66.8	-39.8	-179.6	-166.3	176.9	-174.8	165.7	4.3	112.2	K444 V445 A446 I450 K451 E452	K444-R448 PolarHBondContact O-N 3.31Å; K444-R448 VanDerWaalsContact O-N 3.13Å; V445-R448 WeakPolarHBondContact O-CB 2.8Å; V445-R448 PolarHBondContact O-N 3.37Å; V445-R448 VanDerWaalsContact O-N 3.09Å; A446-R448 VanDerWaalsContact C-N 3.29Å; A446-R448 PolarHBondContact O-N 3.11Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 PolarHBondContact O-N 2.95Å; R448-K451 PolarHBondContact O-N 2.75Å; R448-E452 WeakPolarHBondContact O-CB 3.43Å; R448-E452 PolarHBondContact O-N 2.98Å
449	T	98.2	Very high	97.4	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-41.4	175.5	-54.3	0	0	0	0	111.4	Q381 H384 V445 A446 E452 S453 Y502	Q381-T449 HydrophobicContact CB-CG2 4.41Å; Q381-T449 HydrophobicContact CG-CG2 4.12Å; H384-T449 PolarHBondContact CD2-OG1 3.5Å; H384-T449 PolarHBondContact NE2-OG1 3.19Å; V445-T449 PolarHBondContact O-N 3.22Å; V445-T449 PolarHBondContact O-OG1 3.41Å; A446-T449 PolarHBondContact O-N 2.8Å; T449-E452 PolarHBondContact O-N 3.35Å; T449-S453 WeakPolarHBondContact O-CB 3.28Å; T449-S453 PolarHBondContact O-N 3.09Å; T449-Y502 HydrophobicContact CG2-CD1 3.81Å; T449-Y502 HydrophobicContact CG2-CD2 4.03Å; T449-Y502 HydrophobicContact CG2-CE1 4Å; T449-Y502 HydrophobicContact CG2-CE2 4.25Å; T449-Y502 HydrophobicContact CG2-CG 3.79Å
450	I	98.7	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-46.6	175.5	-65.9	168	0	0	0	110.6	P172 L175 V176 A446 V447 R448 E452 S453 R454 Y502 P503	P172-I450 HydrophobicContact CB-CB 4.23Å; P172-I450 HydrophobicContact CB-CG2 3.93Å; P172-I450 HydrophobicContact CG-CG2 4.01Å; L175-I450 HydrophobicContact CD2-CD1 3.93Å; V176-I450 HydrophobicContact CG2-CD1 3.76Å; A446-I450 WeakPolarHBondContact O-CG1 3.3Å; A446-I450 PolarHBondContact O-N 2.94Å; V447-I450 PolarHBondContact O-N 3.46Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 PolarHBondContact O-N 2.95Å; I450-E452 PolarHBondContact O-N 3.07Å; I450-S453 VanDerWaalsContact O-CB 3.31Å; I450-S453 WeakPolarHBondContact O-CB 3.24Å; I450-S453 PolarHBondContact O-N 3.41Å; I450-R454 WeakPolarHBondContact O-CG 3.43Å; I450-R454 PolarHBondContact O-N 3.27Å; I450-R454 VanDerWaalsContact O-N 3.1Å; I450-Y502 HydrophobicContact CG1-CD1 3.93Å; I450-P503 HydrophobicContact CD1-CG 4.11Å; I450-P503 HydrophobicContact CG1-CG 4.12Å
451	K	98.4	Very high	97.6	Very high	79 Å²	79	43.9 Å²	43.9	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-46.7	177.1	-70.6	179.5	-178.4	-177.3	0	111.8	P172 E173 V447 R448 S453 R454 E455	P172-K451 HydrophobicContact CB-CG 4.3Å; P172-K451 HydrophobicContact CG-CG 3.88Å; E173-K451 WeakPolarHBondContact OE1-CE 3.39Å; E173-K451 IonicContact OE1-NZ 3.73Å; E173-K451 PolarHBondContact OE1-NZ 2.89Å; E173-K451 WeakPolarHBondContact OE2-CE 3.42Å; E173-K451 IonicContact OE2-NZ 2.83Å; E173-K451 PolarHBondContact OE2-NZ 3.35Å; V447-K451 HydrophobicContact CG1-CD 4.33Å; V447-K451 WeakPolarHBondContact O-CG 3.49Å; V447-K451 PolarHBondContact O-N 3.49Å; R448-K451 PolarHBondContact O-N 2.75Å; K451-S453 VanDerWaalsContact C-N 3.34Å; K451-S453 PolarHBondContact O-N 2.77Å; K451-R454 PolarHBondContact O-N 3.01Å; K451-E455 PolarHBondContact O-N 3.35Å
452	E	97.6	Very high	97.7	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-41	176	178.1	170.1	-175	0	0	111.9	L216 R448 T449 I450 R454 E455 L456	L216-E452 HydrophobicContact CD1-CG 4.25Å; L216-E452 HydrophobicContact CD2-CG 4.17Å; R448-E452 WeakPolarHBondContact O-CB 3.43Å; R448-E452 PolarHBondContact O-N 2.98Å; T449-E452 PolarHBondContact O-N 3.35Å; I450-E452 PolarHBondContact O-N 3.07Å; E452-R454 VanDerWaalsContact C-N 3.28Å; E452-R454 PolarHBondContact O-N 2.85Å; E452-E455 PolarHBondContact O-N 3.01Å; E452-L456 HydrophobicContact CG-CD1 3.55Å; E452-L456 HydrophobicContact CG-CG 4.29Å; E452-L456 VanDerWaalsContact O-CB 3.26Å; E452-L456 WeakPolarHBondContact O-CB 3.48Å; E452-L456 VanDerWaalsContact O-CG 3.26Å; E452-L456 WeakPolarHBondContact O-CG 3.45Å; E452-L456 PolarHBondContact O-N 2.88Å
453	S	98.3	Very high	97.9	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-41.7	174.5	-171.7	0	0	0	0	112.8	Q381 T449 I450 K451 R457 I458	Q381-S453 VanDerWaalsContact NE2-CA 3.27Å; Q381-S453 VanDerWaalsContact NE2-CB 3.31Å; Q381-S453 PolarHBondContact OE1-OG 3.22Å; T449-S453 WeakPolarHBondContact O-CB 3.28Å; T449-S453 PolarHBondContact O-N 3.09Å; I450-S453 VanDerWaalsContact O-CB 3.31Å; I450-S453 WeakPolarHBondContact O-CB 3.24Å; I450-S453 PolarHBondContact O-N 3.41Å; K451-S453 VanDerWaalsContact C-N 3.34Å; K451-S453 PolarHBondContact O-N 2.77Å; S453-R457 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-N 3.13Å; S453-I458 PolarHBondContact O-N 3.01Å
454	R	97.9	Very high	98	Very high	61 Å²	61	39 Å²	39	23%	0.23	17%	0.173	C	C	.	.	H	α-helix	trans	-72	-46.6	-179.9	-66.1	174.3	-175.5	-171.4	1.8	112	L169 P170 I450 K451 E452 L456 R457 E500	L169-R454 HydrophobicContact CD1-CG 3.69Å; P170-R454 PolarHBondContact O-NH1 2.91Å; P170-R454 PolarHBondContact O-NH2 3.44Å; I450-R454 WeakPolarHBondContact O-CG 3.43Å; I450-R454 PolarHBondContact O-N 3.27Å; I450-R454 VanDerWaalsContact O-N 3.1Å; K451-R454 PolarHBondContact O-N 3.01Å; E452-R454 VanDerWaalsContact C-N 3.28Å; E452-R454 PolarHBondContact O-N 2.85Å; R454-L456 PolarHBondContact O-N 2.97Å; R454-R457 WeakPolarHBondContact O-CA 3.42Å; R454-R457 PolarHBondContact O-N 3.15Å; R454-E500 WeakPolarHBondContact CG-OE2 3.35Å; R454-E500 IonicContact CZ-OE1 2.61Å; R454-E500 IonicContact CZ-OE2 2.76Å; R454-E500 IonicContact NE-OE1 3.68Å; R454-E500 PolarHBondContact NE-OE1 2.89Å; R454-E500 IonicContact NE-OE2 3.36Å; R454-E500 PolarHBondContact NE-OE2 3.34Å; R454-E500 IonicContact NH2-OE1 3.76Å; R454-E500 PolarHBondContact NH2-OE1 2.94Å; R454-E500 IonicContact NH2-OE2 3.45Å
455	E	97	Very high	98.1	Very high	136 Å²	136	31.3 Å²	31.3	64%	0.636	14%	0.139	S	C	*	.	H	α-helix	trans	-61.4	-35.9	176.6	-71.5	-178.5	-136.3	0	0	111.7	L216 K451 E452 R457	L216-E455 HydrophobicContact CD1-CB 3.55Å; L216-E455 HydrophobicContact CD1-CG 4.22Å; L216-E455 WeakPolarHBondContact CD1-OE2 3.49Å; K451-E455 PolarHBondContact O-N 3.35Å; E452-E455 PolarHBondContact O-N 3.01Å; E455-R457 VanDerWaalsContact C-N 3.25Å; E455-R457 PolarHBondContact O-N 3.23Å
456	L	97.3	Very high	98.2	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.068	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.2	175.4	-65	174.6	0	0	0	113.2	S130 R148 L216 L377 E452 R454 I458	S130-L456 WeakPolarHBondContact OG-CD2 3.4Å; R148-L456 PolarHBondContact NH1-O 3.43Å; L216-L456 HydrophobicContact CB-CD1 4.16Å; L216-L456 HydrophobicContact CB-CD2 3.59Å; L216-L456 HydrophobicContact CB-CG 3.99Å; L216-L456 HydrophobicContact CD1-CG 4.39Å; L377-L456 HydrophobicContact CD1-CD1 3.57Å; L377-L456 HydrophobicContact CD2-CB 3.88Å; L377-L456 HydrophobicContact CD2-CD1 3.41Å; L377-L456 VanDerWaalsContact CD2-CD1 3.41Å; L377-L456 HydrophobicContact CD2-CG 4.17Å; L377-L456 HydrophobicContact CG-CD1 4.08Å; E452-L456 HydrophobicContact CG-CD1 3.55Å; E452-L456 HydrophobicContact CG-CG 4.29Å; E452-L456 VanDerWaalsContact O-CB 3.26Å; E452-L456 WeakPolarHBondContact O-CB 3.48Å; E452-L456 VanDerWaalsContact O-CG 3.26Å; E452-L456 WeakPolarHBondContact O-CG 3.45Å; E452-L456 PolarHBondContact O-N 2.88Å; R454-L456 PolarHBondContact O-N 2.97Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 HydrophobicContact CB-CG1 4.49Å; L456-I458 PolarHBondContact O-N 2.96Å
457	R	97.8	Very high	98.1	Very high	53 Å²	53	32.7 Å²	32.7	20%	0.2	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	50.1	176.5	-56.5	179.7	-62.6	143.2	-8.7	112.5	R148 P152 V153 E155 S453 R454 E455	R148-R457 PolarHBondContact NH2-O 3.13Å; P152-R457 VanDerWaalsContact CA-O 3.25Å; P152-R457 WeakPolarHBondContact CA-O 3.4Å; P152-R457 HydrophobicContact CB-CB 3.88Å; V153-R457 HydrophobicContact CB-CB 4.3Å; V153-R457 PolarHBondContact N-O 3.5Å; V153-R457 WeakPolarHBondContact O-CD 3.19Å; V153-R457 PolarHBondContact O-NH1 3.48Å; E155-R457 VanDerWaalsContact CG-CZ 3.46Å; E155-R457 IonicContact OE1-CZ 2.74Å; E155-R457 IonicContact OE1-NH2 3.58Å; S453-R457 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-N 3.13Å; R454-R457 WeakPolarHBondContact O-CA 3.42Å; R454-R457 PolarHBondContact O-N 3.15Å; E455-R457 VanDerWaalsContact C-N 3.25Å; E455-R457 PolarHBondContact O-N 3.23Å
458	I	98.2	Very high	98.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-65.9	134.3	173.8	-68	-174.6	0	0	0	109.5	L161 L377 Q381 S453 L456 Y464 F501	L161-I458 WeakPolarHBondContact CD2-O 3.49Å; L377-I458 HydrophobicContact CD2-CD1 3.96Å; L377-I458 HydrophobicContact CD2-CG1 4.24Å; L377-I458 HydrophobicContact CG-CD1 4.3Å; Q381-I458 HydrophobicContact CG-CD1 4.36Å; Q381-I458 VanDerWaalsContact OE1-CD1 3.28Å; S453-I458 PolarHBondContact O-N 3.01Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 HydrophobicContact CB-CG1 4.49Å; L456-I458 PolarHBondContact O-N 2.96Å; I458-Y464 HydrophobicContact CG2-CD2 4.47Å; I458-Y464 HydrophobicContact CG2-CE2 3.49Å; I458-Y464 VanDerWaalsContact CG2-CE2 3.49Å; I458-F501 HydrophobicContact CG2-CB 3.64Å; I458-F501 HydrophobicContact CG2-CG 4.16Å
459	Q	98.3	Very high	98	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.042	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-65.6	160.7	179.7	-68.8	-166.6	20.4	0	0	111.7	L150 P151 V153 E463 Y464	L150-Q459 HydrophobicContact CB-CG 4.48Å; L150-Q459 HydrophobicContact CD1-CB 4.33Å; P151-Q459 WeakPolarHBondContact O-CG 3.47Å; P151-Q459 PolarHBondContact O-NE2 3.5Å; V153-Q459 HydrophobicContact CG2-CB 4.33Å; V153-Q459 HydrophobicContact CG2-CG 3.81Å; Q459-E463 HydrophobicContact CB-CB 4.11Å; Q459-E463 HydrophobicContact CB-CG 4.47Å; Q459-Y464 HydrophobicContact CB-CE2 3.95Å; Q459-Y464 WeakPolarHBondContact O-CE2 3.49Å
460	P	98.4	Very high	97.9	Very high	3 Å²	3	27 Å²	27	2%	0.019	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-54	154.2	176.7	-27.8	35.5	0	0	0	114.1	L161 N462 E463 Y464 D497 L499	L161-P460 HydrophobicContact CB-CG 3.96Å; L161-P460 HydrophobicContact CD2-CG 4.28Å; L161-P460 HydrophobicContact CG-CG 4.48Å; P460-N462 VanDerWaalsContact C-N 3.28Å; P460-N462 PolarHBondContact O-N 3.06Å; P460-E463 HydrophobicContact CB-CG 4.28Å; P460-E463 HydrophobicContact CG-CG 4.38Å; P460-E463 WeakPolarHBondContact O-CB 3.07Å; P460-E463 PolarHBondContact O-N 3.01Å; P460-Y464 PolarHBondContact O-N 3.27Å; P460-D497 WeakPolarHBondContact CB-O 3.2Å; P460-D497 VanDerWaalsContact CG-O 3.24Å; P460-D497 WeakPolarHBondContact CG-O 3.04Å; P460-L499 WeakPolarHBondContact CA-O 3.28Å
461	F	98.8	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.4	-40.9	179.3	179.8	-115.3	0	0	0	112.8	E463 Y464 R465 Y473 F479 L499 F501 L505 S519 M523	F461-E463 VanDerWaalsContact C-N 3.28Å; F461-E463 PolarHBondContact O-N 3.42Å; F461-Y464 PolarHBondContact O-N 2.9Å; F461-R465 HydrophobicContact CD1-CG 4.35Å; F461-R465 HydrophobicContact CE1-CG 4.1Å; F461-R465 HydrophobicContact CZ-CG 4.25Å; F461-R465 PolarHBondContact O-N 3.35Å; F461-Y473 HydrophobicContact CD1-CD2 4.5Å; F461-Y473 AromaticContact CE1-CD2 3.94Å; F461-Y473 HydrophobicContact CE1-CD2 3.94Å; F461-Y473 AromaticContact CE1-CE2 3.85Å; F461-Y473 HydrophobicContact CE1-CE2 3.85Å; F461-F479 HydrophobicContact CD1-CE2 4.31Å; F461-F479 HydrophobicContact CE1-CD2 4.11Å; F461-F479 AromaticContact CE1-CE2 3.72Å; F461-F479 HydrophobicContact CE1-CE2 3.72Å; F461-F479 HydrophobicContact CZ-CE2 4.32Å; F461-L499 HydrophobicContact CB-CB 4.39Å; F461-L499 HydrophobicContact CB-CD2 4.48Å; F461-L499 HydrophobicContact CB-CG 4.23Å; F461-L499 WeakPolarHBondContact CB-O 3.4Å; F461-L499 HydrophobicContact CD1-CD2 4.04Å; F461-L499 PolarHBondContact N-O 2.92Å; F461-F501 HydrophobicContact CD2-CD2 4.38Å; F461-L505 HydrophobicContact CE2-CD2 4Å; F461-L505 HydrophobicContact CE2-CG 4.11Å; F461-S519 WeakPolarHBondContact CZ-OG 3.36Å; F461-M523 HydrophobicContact CD2-CE 4.49Å; F461-M523 HydrophobicContact CE2-CE 4.04Å
462	N	98.6	Very high	97.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-29.7	177.9	-88.6	-7.9	0	0	0	113.3	P460 R465 K466 P472 Y473 D497	P460-N462 VanDerWaalsContact C-N 3.28Å; P460-N462 PolarHBondContact O-N 3.06Å; N462-R465 WeakPolarHBondContact O-CB 3.41Å; N462-R465 PolarHBondContact O-N 3.03Å; N462-K466 WeakPolarHBondContact O-CG 3.44Å; N462-K466 PolarHBondContact O-N 3.44Å; N462-P472 HydrophobicContact CB-CB 3.87Å; N462-Y473 PolarHBondContact ND2-O 3.48Å; N462-Y473 PolarHBondContact OD1-N 3.21Å; N462-D497 PolarHBondContact ND2-OD1 3.4Å
463	E	98.4	Very high	97.8	Very high	31 Å²	31	31.6 Å²	31.6	15%	0.145	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-39.6	174.7	-61.7	-60.8	136.7	0	0	111.3	L37 L150 Q459 P460 F461 K466 R467	L37-E463 HydrophobicContact CD1-CG 3.51Å; L150-E463 HydrophobicContact CD1-CB 4.02Å; Q459-E463 HydrophobicContact CB-CB 4.11Å; Q459-E463 HydrophobicContact CB-CG 4.47Å; P460-E463 HydrophobicContact CB-CG 4.28Å; P460-E463 HydrophobicContact CG-CG 4.38Å; P460-E463 WeakPolarHBondContact O-CB 3.07Å; P460-E463 PolarHBondContact O-N 3.01Å; F461-E463 VanDerWaalsContact C-N 3.28Å; F461-E463 PolarHBondContact O-N 3.42Å; E463-K466 PolarHBondContact O-N 2.83Å; E463-K466 WeakPolarHBondContact OE1-CE 3.24Å; E463-K466 IonicContact OE1-NZ 2.65Å; E463-K466 PolarHBondContact OE1-NZ 3.03Å; E463-K466 WeakPolarHBondContact OE2-CE 3.34Å; E463-K466 IonicContact OE2-NZ 3.22Å; E463-K466 PolarHBondContact OE2-NZ 3.28Å; E463-R467 WeakPolarHBondContact O-CB 3.22Å; E463-R467 PolarHBondContact O-N 3.48Å
464	Y	98.6	Very high	97.8	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-39.3	171.1	-75.8	-77.4	0	0	0	111.8	L150 E378 I458 Q459 P460 F461 K466 R467 F468 F501	L150-Y464 HydrophobicContact CB-CE1 4Å; L150-Y464 HydrophobicContact CD1-CD1 3.76Å; L150-Y464 HydrophobicContact CD1-CD2 4.11Å; L150-Y464 HydrophobicContact CD1-CE1 3.71Å; L150-Y464 HydrophobicContact CD1-CE2 4.08Å; L150-Y464 HydrophobicContact CD1-CG 3.96Å; L150-Y464 HydrophobicContact CG-CD1 4.25Å; L150-Y464 HydrophobicContact CG-CE1 3.88Å; E378-Y464 HydrophobicContact CB-CE1 4.35Å; E378-Y464 HydrophobicContact CG-CD1 4.48Å; E378-Y464 HydrophobicContact CG-CE1 3.5Å; E378-Y464 VanDerWaalsContact CG-OH 3.28Å; E378-Y464 WeakPolarHBondContact CG-OH 3.41Å; E378-Y464 WeakPolarHBondContact OE1-CE1 3.23Å; E378-Y464 PolarHBondContact OE1-OH 3.21Å; I458-Y464 HydrophobicContact CG2-CD2 4.47Å; I458-Y464 HydrophobicContact CG2-CE2 3.49Å; I458-Y464 VanDerWaalsContact CG2-CE2 3.49Å; Q459-Y464 HydrophobicContact CB-CE2 3.95Å; Q459-Y464 WeakPolarHBondContact O-CE2 3.49Å; P460-Y464 PolarHBondContact O-N 3.27Å; F461-Y464 PolarHBondContact O-N 2.9Å; Y464-K466 PolarHBondContact O-N 2.95Å; Y464-R467 PolarHBondContact O-N 2.83Å; Y464-F468 HydrophobicContact CD1-CE2 4.43Å; Y464-F468 VanDerWaalsContact O-CD2 3.3Å; Y464-F468 WeakPolarHBondContact O-CD2 3.36Å; Y464-F468 PolarHBondContact O-N 3.23Å; Y464-F501 HydrophobicContact CD1-CD2 4.37Å; Y464-F501 HydrophobicContact CD1-CE2 4.07Å; Y464-F501 HydrophobicContact CD2-CB 4.44Å; Y464-F501 AromaticContact CD2-CD2 3.5Å; Y464-F501 HydrophobicContact CD2-CD2 3.5Å; Y464-F501 VanDerWaalsContact CD2-CD2 3.5Å; Y464-F501 HydrophobicContact CD2-CE2 4.04Å; Y464-F501 HydrophobicContact CD2-CG 4.23Å; Y464-F501 HydrophobicContact CE2-CD2 4.11Å; Y464-F501 HydrophobicContact CE2-CG 4.46Å; Y464-F501 AromaticContact CG-CD2 3.64Å; Y464-F501 HydrophobicContact CG-CD2 3.64Å; Y464-F501 AromaticContact CG-CE2 3.7Å; Y464-F501 HydrophobicContact CG-CE2 3.7Å
465	R	98.4	Very high	97.8	Very high	9 Å²	9	36.1 Å²	36.1	3%	0.034	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-52.5	173	-75.2	-171.6	62.7	82	-3.1	111	F461 N462 R467 F468 N469 L470 E471 Y473 E508 E518 S519 M523	F461-R465 HydrophobicContact CD1-CG 4.35Å; F461-R465 HydrophobicContact CE1-CG 4.1Å; F461-R465 HydrophobicContact CZ-CG 4.25Å; F461-R465 PolarHBondContact O-N 3.35Å; N462-R465 WeakPolarHBondContact O-CB 3.41Å; N462-R465 PolarHBondContact O-N 3.03Å; R465-R467 VanDerWaalsContact C-N 3.33Å; R465-R467 PolarHBondContact O-N 3Å; R465-F468 CarbonylContact O-C 3.47Å; R465-F468 PolarHBondContact O-N 3.16Å; R465-F468 VanDerWaalsContact O-N 3.07Å; R465-N469 PolarHBondContact O-N 3.03Å; R465-L470 CarbonylContact C-O 3.36Å; R465-L470 HydrophobicContact CB-CB 3.91Å; R465-L470 HydrophobicContact CG-CB 4.35Å; R465-L470 HydrophobicContact CG-CD1 4.32Å; R465-L470 WeakPolarHBondContact O-CB 3.34Å; R465-L470 PolarHBondContact O-N 2.92Å; R465-E471 PolarHBondContact NE-O 3.29Å; R465-E471 PolarHBondContact NH2-O 3.27Å; R465-Y473 VanDerWaalsContact CZ-CE2 3.47Å; R465-E508 IonicContact NH1-OE1 3.44Å; R465-E508 PolarHBondContact NH1-OE1 2.7Å; R465-E508 VanDerWaalsContact NH1-OE1 3.09Å; R465-E518 IonicContact CZ-OE2 3.63Å; R465-E518 IonicContact NH1-OE2 2.68Å; R465-E518 PolarHBondContact NH1-OE2 3.42Å; R465-E518 VanDerWaalsContact NH1-OE2 3.08Å; R465-E518 IonicContact NH2-OE2 3.09Å; R465-E518 PolarHBondContact NH2-OE2 2.78Å; R465-S519 PolarHBondContact NH1-OG 2.95Å; R465-M523 HydrophobicContact CB-CE 4.4Å; R465-M523 HydrophobicContact CG-CE 3.73Å
466	K	97.9	Very high	97.9	Very high	55 Å²	55	29.7 Å²	29.7	24%	0.239	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-45.3	175.4	-69.8	-176.1	-62.3	175.3	0	112.1	N462 E463 Y464 F468 N469 L470 P472	N462-K466 WeakPolarHBondContact O-CG 3.44Å; N462-K466 PolarHBondContact O-N 3.44Å; E463-K466 PolarHBondContact O-N 2.83Å; E463-K466 WeakPolarHBondContact OE1-CE 3.24Å; E463-K466 IonicContact OE1-NZ 2.65Å; E463-K466 PolarHBondContact OE1-NZ 3.03Å; E463-K466 WeakPolarHBondContact OE2-CE 3.34Å; E463-K466 IonicContact OE2-NZ 3.22Å; E463-K466 PolarHBondContact OE2-NZ 3.28Å; Y464-K466 PolarHBondContact O-N 2.95Å; K466-F468 PolarHBondContact O-N 3.07Å; K466-F468 VanDerWaalsContact O-N 3.16Å; K466-N469 PolarHBondContact O-N 3.35Å; K466-L470 PolarHBondContact N-O 3.19Å; K466-P472 HydrophobicContact CG-CG 4.41Å
467	R	97.7	Very high	97.9	Very high	27 Å²	27	35.4 Å²	35.4	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-25.8	179.1	179.4	56.2	-172.9	74	-7	113.5	W42 L121 I149 L150 E463 Y464 R465	W42-R467 VanDerWaalsContact CD1-CD 3.43Å; W42-R467 VanDerWaalsContact CD1-NH1 3.34Å; W42-R467 PolarHBondContact NE1-O 2.76Å; L121-R467 PolarHBondContact O-NH1 2.88Å; L121-R467 PolarHBondContact O-NH2 3.41Å; I149-R467 HydrophobicContact CG2-CG 3.49Å; I149-R467 VanDerWaalsContact CG2-CG 3.49Å; L150-R467 HydrophobicContact CD1-CB 4.14Å; L150-R467 HydrophobicContact CD1-CG 4.45Å; L150-R467 HydrophobicContact CD2-CB 4.12Å; L150-R467 HydrophobicContact CD2-CG 3.89Å; L150-R467 HydrophobicContact CG-CB 4.27Å; L150-R467 HydrophobicContact CG-CG 4.06Å; E463-R467 WeakPolarHBondContact O-CB 3.22Å; E463-R467 PolarHBondContact O-N 3.48Å; Y464-R467 PolarHBondContact O-N 2.83Å; R465-R467 VanDerWaalsContact C-N 3.33Å; R465-R467 PolarHBondContact O-N 3Å
468	F	97.3	Very high	97.8	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	17.9	176.9	-76	-85.7	0	0	0	113.6	L121 I122 I149 Y464 R465 K466 E522 M523 P526 F527	L121-F468 HydrophobicContact CD1-CD1 4.25Å; I122-F468 HydrophobicContact CD1-CE1 4.44Å; I149-F468 HydrophobicContact CD1-CE1 4.45Å; I149-F468 HydrophobicContact CD1-CE2 4.26Å; I149-F468 HydrophobicContact CD1-CZ 3.64Å; Y464-F468 HydrophobicContact CD1-CE2 4.43Å; Y464-F468 VanDerWaalsContact O-CD2 3.3Å; Y464-F468 WeakPolarHBondContact O-CD2 3.36Å; Y464-F468 PolarHBondContact O-N 3.23Å; R465-F468 CarbonylContact O-C 3.47Å; R465-F468 PolarHBondContact O-N 3.16Å; R465-F468 VanDerWaalsContact O-N 3.07Å; K466-F468 PolarHBondContact O-N 3.07Å; K466-F468 VanDerWaalsContact O-N 3.16Å; F468-E522 WeakPolarHBondContact CD1-O 3.46Å; F468-M523 HydrophobicContact CB-CG 4.14Å; F468-M523 HydrophobicContact CD1-CB 4.43Å; F468-M523 HydrophobicContact CD1-CG 4.4Å; F468-M523 HydrophobicContact CD2-CB 4.15Å; F468-M523 HydrophobicContact CD2-CG 3.62Å; F468-M523 HydrophobicContact CD2-SD 4.48Å; F468-M523 HydrophobicContact CE1-CB 4.4Å; F468-M523 HydrophobicContact CE2-CB 4.11Å; F468-M523 HydrophobicContact CE2-CG 4.03Å; F468-M523 HydrophobicContact CG-CB 4.29Å; F468-M523 HydrophobicContact CG-CG 3.81Å; F468-M523 HydrophobicContact CZ-CB 4.22Å; F468-P526 HydrophobicContact CD1-CG 4.15Å; F468-P526 HydrophobicContact CE1-CB 4.03Å; F468-P526 HydrophobicContact CE1-CG 3.97Å; F468-F527 HydrophobicContact CE2-CE2 4.5Å; F468-F527 HydrophobicContact CZ-CD2 4.44Å; F468-F527 AromaticContact CZ-CE2 3.76Å; F468-F527 HydrophobicContact CZ-CE2 3.76Å; F468-F527 HydrophobicContact CZ-CZ 4.03Å
469	N	95.4	Very high	97.8	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.262	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	33.4	-179.7	-67.1	-57.2	0	0	0	115.4	W42 R81 R465 K466	W42-N469 VanDerWaalsContact CH2-CG 3.45Å; W42-N469 WeakPolarHBondContact CH2-ND2 3.38Å; W42-N469 WeakPolarHBondContact CH2-OD1 3.11Å; W42-N469 VanDerWaalsContact CZ2-CG 3.43Å; W42-N469 WeakPolarHBondContact CZ2-ND2 3.41Å; W42-N469 WeakPolarHBondContact CZ2-OD1 3.32Å; R81-N469 PolarHBondContact NH1-ND2 3.2Å; R81-N469 VanDerWaalsContact NH1-ND2 3.19Å; R465-N469 PolarHBondContact O-N 3.03Å; K466-N469 PolarHBondContact O-N 3.35Å
470	L	96.4	Very high	97.7	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	18%	0.178	C	C	.	.			trans	-105.3	145.5	172.6	-50.3	177.2	0	0	0	109.1	P84 R465 K466 E518 E522 M523	P84-L470 HydrophobicContact CG-CD2 3.74Å; R465-L470 CarbonylContact C-O 3.36Å; R465-L470 HydrophobicContact CB-CB 3.91Å; R465-L470 HydrophobicContact CG-CB 4.35Å; R465-L470 HydrophobicContact CG-CD1 4.32Å; R465-L470 WeakPolarHBondContact O-CB 3.34Å; R465-L470 PolarHBondContact O-N 2.92Å; K466-L470 PolarHBondContact N-O 3.19Å; L470-E518 HydrophobicContact CD1-CG 4.44Å; L470-E518 HydrophobicContact CD2-CG 4.32Å; L470-E522 HydrophobicContact CD1-CB 3.8Å; L470-E522 HydrophobicContact CD1-CG 4.32Å; L470-E522 HydrophobicContact CD2-CB 3.88Å; L470-E522 HydrophobicContact CD2-CG 3.75Å; L470-E522 HydrophobicContact CG-CB 4.24Å; L470-M523 HydrophobicContact CD1-CE 4.34Å
471	E	96.1	Very high	97.5	Very high	138 Å²	138	41.5 Å²	41.5	65%	0.645	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-68.1	132.7	172.6	-64.7	-60.7	149.9	0	0	109.1	R465	R465-E471 PolarHBondContact NE-O 3.29Å; R465-E471 PolarHBondContact NH2-O 3.27Å
472	P	98	Very high	97.4	Very high	45 Å²	45	44.2 Å²	44.2	29%	0.292	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-63.7	146	175.6	28	-33.6	0	0	0	110.4	N462 K466	N462-P472 HydrophobicContact CB-CB 3.87Å; K466-P472 HydrophobicContact CG-CG 4.41Å
473	Y	98.4	Very high	97.3	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.071	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.8	142.3	174.3	-74.6	-71.3	0	0	0	110.7	F461 N462 R465 D478 F479 I496 E508	F461-Y473 HydrophobicContact CD1-CD2 4.5Å; F461-Y473 AromaticContact CE1-CD2 3.94Å; F461-Y473 HydrophobicContact CE1-CD2 3.94Å; F461-Y473 AromaticContact CE1-CE2 3.85Å; F461-Y473 HydrophobicContact CE1-CE2 3.85Å; N462-Y473 PolarHBondContact ND2-O 3.48Å; N462-Y473 PolarHBondContact OD1-N 3.21Å; R465-Y473 VanDerWaalsContact CZ-CE2 3.47Å; Y473-D478 HydrophobicContact CD1-CB 4.35Å; Y473-F479 HydrophobicContact CD1-CB 4.11Å; Y473-F479 HydrophobicContact CD2-CB 4.27Å; Y473-F479 AromaticContact CD2-CD2 3.67Å; Y473-F479 HydrophobicContact CD2-CD2 3.67Å; Y473-F479 HydrophobicContact CD2-CG 4.47Å; Y473-F479 AromaticContact CE2-CD2 3.68Å; Y473-F479 HydrophobicContact CE2-CD2 3.68Å; Y473-F479 HydrophobicContact CE2-CE2 4.41Å; Y473-F479 HydrophobicContact CG-CB 3.96Å; Y473-F479 HydrophobicContact CG-CD2 4.24Å; Y473-I496 WeakPolarHBondContact O-CG2 3.13Å; Y473-E508 HydrophobicContact CE2-CG 4.35Å; Y473-E508 VanDerWaalsContact CE2-OE1 3.3Å; Y473-E508 WeakPolarHBondContact CE2-OE1 3.33Å; Y473-E508 WeakPolarHBondContact OH-CG 3.37Å; Y473-E508 PolarHBondContact OH-OE1 3.12Å
474	T	98	Very high	97.3	Very high	116 Å²	116	51.5 Å²	51.5	71%	0.712	26%	0.259	S	S	*	.	S	Bend	trans	-95.4	-18.8	-176	54.6	0	0	0	0	113.3	D478	T474-D478 PolarHBondContact N-OD2 3.45Å; T474-D478 PolarHBondContact OG1-OD2 3.31Å
475	S	98.3	Very high	97.2	Very high	42 Å²	42	51.4 Å²	51.4	29%	0.294	26%	0.258	S	S	.	.	S	Bend	trans	-159.1	164.2	176.1	68.2	0	0	0	0	111	R477 D478 F479	S475-R477 PolarHBondContact O-N 3.46Å; S475-D478 PolarHBondContact O-N 2.99Å; S475-D478 PolarHBondContact OG-N 3.27Å; S475-D478 VanDerWaalsContact OG-N 3.16Å; S475-F479 PolarHBondContact O-N 2.9Å; S475-F479 VanDerWaalsContact O-N 3.1Å
476	F	98.6	Very high	97.2	Very high	2 Å²	2	51 Å²	51	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-25.8	174.2	-66.4	-72.5	0	0	0	113.4	F479 T480 A486 L489 E490 D495 I496 L499	F476-F479 PolarHBondContact O-N 3.4Å; F476-T480 WeakPolarHBondContact O-CG2 3.49Å; F476-T480 PolarHBondContact O-N 3.2Å; F476-T480 VanDerWaalsContact O-N 3.08Å; F476-A486 HydrophobicContact CB-CB 4.11Å; F476-L489 HydrophobicContact CD1-CB 3.4Å; F476-L489 VanDerWaalsContact CD1-CB 3.4Å; F476-L489 HydrophobicContact CD1-CD1 3.84Å; F476-L489 HydrophobicContact CD1-CG 4.25Å; F476-L489 HydrophobicContact CD2-CB 4.48Å; F476-L489 HydrophobicContact CE1-CB 3.61Å; F476-L489 HydrophobicContact CE1-CD1 4.29Å; F476-L489 HydrophobicContact CE1-CG 4.45Å; F476-L489 HydrophobicContact CG-CB 3.88Å; F476-L489 HydrophobicContact CZ-CB 4.24Å; F476-E490 HydrophobicContact CD2-CB 3.89Å; F476-E490 HydrophobicContact CD2-CG 4.45Å; F476-E490 WeakPolarHBondContact CD2-OE2 3.32Å; F476-E490 HydrophobicContact CE2-CB 4.36Å; F476-D495 WeakPolarHBondContact CZ-O 3.43Å; F476-I496 HydrophobicContact CD1-CD1 3.52Å; F476-I496 HydrophobicContact CE1-CD1 3.55Å; F476-I496 HydrophobicContact CE2-CB 4.39Å; F476-I496 HydrophobicContact CG-CD1 4.15Å; F476-I496 HydrophobicContact CZ-CB 4.33Å; F476-I496 HydrophobicContact CZ-CD1 4.2Å; F476-L499 HydrophobicContact CE1-CB 4.27Å; F476-L499 HydrophobicContact CE1-CD1 4.37Å; F476-L499 HydrophobicContact CE1-CD2 4.4Å
477	R	97.4	Very high	97.2	Very high	132 Å²	132	50.8 Å²	50.8	50%	0.498	26%	0.262	S	S	.	.	H	α-helix	trans	-77.2	-22.9	175.5	-67.5	-176.5	179.9	82.2	4.9	113.5	S475 E483 A486	S475-R477 PolarHBondContact O-N 3.46Å; R477-E483 IonicContact CZ-OE1 2.71Å; R477-E483 VanDerWaalsContact CZ-OE1 3.29Å; R477-E483 IonicContact NE-OE1 3.9Å; R477-E483 PolarHBondContact NE-OE1 3.12Å; R477-E483 IonicContact NE-OE2 3.76Å; R477-E483 PolarHBondContact NE-OE2 2.94Å; R477-E483 IonicContact NH2-OE1 2.8Å; R477-E483 PolarHBondContact NH2-OE1 3.29Å; R477-A486 HydrophobicContact CG-CB 3.98Å
478	D	96.4	Very high	97.3	Very high	61 Å²	61	49.7 Å²	49.7	33%	0.326	26%	0.259	S	S	.	.	H	α-helix	trans	-76.9	-37.6	168.5	-179.8	27.2	0	0	0	110.5	Y473 T474 S475 K509	Y473-D478 HydrophobicContact CD1-CB 4.35Å; T474-D478 PolarHBondContact N-OD2 3.45Å; T474-D478 PolarHBondContact OG1-OD2 3.31Å; S475-D478 PolarHBondContact O-N 2.99Å; S475-D478 PolarHBondContact OG-N 3.27Å; S475-D478 VanDerWaalsContact OG-N 3.16Å; D478-K509 VanDerWaalsContact O-CE 3.26Å; D478-K509 WeakPolarHBondContact O-CE 3.01Å; D478-K509 PolarHBondContact O-NZ 2.71Å; D478-K509 IonicContact OD1-NZ 3.42Å
479	F	97.8	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-38.4	179.3	168.3	-100.6	0	0	0	114.9	F461 Y473 S475 F476 L489 I496 L499 G504 L507 E508 K509	F461-F479 HydrophobicContact CD1-CE2 4.31Å; F461-F479 HydrophobicContact CE1-CD2 4.11Å; F461-F479 AromaticContact CE1-CE2 3.72Å; F461-F479 HydrophobicContact CE1-CE2 3.72Å; F461-F479 HydrophobicContact CZ-CE2 4.32Å; Y473-F479 HydrophobicContact CD1-CB 4.11Å; Y473-F479 HydrophobicContact CD2-CB 4.27Å; Y473-F479 AromaticContact CD2-CD2 3.67Å; Y473-F479 HydrophobicContact CD2-CD2 3.67Å; Y473-F479 HydrophobicContact CD2-CG 4.47Å; Y473-F479 AromaticContact CE2-CD2 3.68Å; Y473-F479 HydrophobicContact CE2-CD2 3.68Å; Y473-F479 HydrophobicContact CE2-CE2 4.41Å; Y473-F479 HydrophobicContact CG-CB 3.96Å; Y473-F479 HydrophobicContact CG-CD2 4.24Å; S475-F479 PolarHBondContact O-N 2.9Å; S475-F479 VanDerWaalsContact O-N 3.1Å; F476-F479 PolarHBondContact O-N 3.4Å; F479-L489 HydrophobicContact CD1-CD1 4.02Å; F479-L489 HydrophobicContact CE1-CD1 3.7Å; F479-I496 HydrophobicContact CB-CD1 4.16Å; F479-I496 HydrophobicContact CG-CD1 4.48Å; F479-L499 HydrophobicContact CD1-CD2 4.43Å; F479-L499 HydrophobicContact CD2-CD2 4.09Å; F479-L499 HydrophobicContact CE1-CD2 4.13Å; F479-L499 HydrophobicContact CE2-CD2 3.75Å; F479-L499 HydrophobicContact CG-CD2 4.4Å; F479-L499 HydrophobicContact CZ-CD2 3.77Å; F479-G504 WeakPolarHBondContact CE2-O 3.45Å; F479-G504 VanDerWaalsContact CZ-O 3.25Å; F479-G504 WeakPolarHBondContact CZ-O 3.36Å; F479-L507 HydrophobicContact CE1-CB 3.73Å; F479-L507 VanDerWaalsContact CZ-C 3.41Å; F479-L507 HydrophobicContact CZ-CB 3.81Å; F479-E508 HydrophobicContact CD2-CB 4.42Å; F479-E508 HydrophobicContact CD2-CG 4.41Å; F479-E508 HydrophobicContact CE2-CB 3.67Å; F479-E508 HydrophobicContact CE2-CG 4.1Å; F479-E508 VanDerWaalsContact CZ-CA 3.45Å; F479-E508 HydrophobicContact CZ-CB 4.02Å; F479-K509 WeakPolarHBondContact O-CG 3.35Å; F479-K509 PolarHBondContact O-N 3.17Å
480	T	97.1	Very high	97.4	Very high	8 Å²	8	51 Å²	51	5%	0.049	26%	0.263	C	S	.	.			trans	-139	142.2	-177.9	-169.6	0	0	0	0	112.3	F476 N482 I485 A486	F476-T480 WeakPolarHBondContact O-CG2 3.49Å; F476-T480 PolarHBondContact O-N 3.2Å; F476-T480 VanDerWaalsContact O-N 3.08Å; T480-N482 PolarHBondContact O-N 2.89Å; T480-N482 PolarHBondContact OG1-N 3.18Å; T480-I485 HydrophobicContact CG2-CB 4.02Å; T480-I485 HydrophobicContact CG2-CG2 3.91Å; T480-A486 HydrophobicContact CG2-CB 3.81Å
481	D	93.8	Very high	97.5	Very high	129 Å²	129	56.1 Å²	56.1	69%	0.69	29%	0.287	S	S	*	.	S	Bend	trans	-82	-0.8	176.4	-55.2	-37.2	0	0	0	112.3
482	N	96.4	Very high	97.6	Very high	56 Å²	56	51 Å²	51	30%	0.299	26%	0.263	S	S	.	.			trans	-98.4	107.3	179	-176.1	-31.3	0	0	0	110.8	T480 E484 I485 A486	T480-N482 PolarHBondContact O-N 2.89Å; T480-N482 PolarHBondContact OG1-N 3.18Å; N482-E484 PolarHBondContact O-N 3.41Å; N482-E484 VanDerWaalsContact OD1-CB 3.28Å; N482-E484 WeakPolarHBondContact OD1-CB 3.44Å; N482-E484 PolarHBondContact OD1-N 2.76Å; N482-I485 HydrophobicContact CB-CB 4.12Å; N482-I485 HydrophobicContact CB-CD1 3.93Å; N482-I485 HydrophobicContact CB-CG1 4.03Å; N482-I485 PolarHBondContact O-N 2.99Å; N482-I485 VanDerWaalsContact O-N 3.09Å; N482-I485 PolarHBondContact OD1-N 3.12Å; N482-A486 PolarHBondContact O-N 3.14Å
483	E	97.3	Very high	97.6	Very high	100 Å²	100	49 Å²	49	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-30	-177.7	-172	61.4	-157.2	0	0	113.3	R477 S487	R477-E483 IonicContact CZ-OE1 2.71Å; R477-E483 VanDerWaalsContact CZ-OE1 3.29Å; R477-E483 IonicContact NE-OE1 3.9Å; R477-E483 PolarHBondContact NE-OE1 3.12Å; R477-E483 IonicContact NE-OE2 3.76Å; R477-E483 PolarHBondContact NE-OE2 2.94Å; R477-E483 IonicContact NH2-OE1 2.8Å; R477-E483 PolarHBondContact NH2-OE1 3.29Å; E483-S487 VanDerWaalsContact O-CB 3.23Å; E483-S487 WeakPolarHBondContact O-CB 3.42Å; E483-S487 PolarHBondContact O-N 3.45Å; E483-S487 PolarHBondContact O-OG 2.72Å; E483-S487 PolarHBondContact OE1-OG 3.01Å
484	E	96.9	Very high	97.5	Very high	85 Å²	85	49.9 Å²	49.9	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-66.7	-45.8	175.2	-170.1	-167.9	162.9	0	0	110.6	R183 N482 A488	R183-E484 IonicContact CZ-OE1 2.72Å; R183-E484 IonicContact CZ-OE2 2.75Å; R183-E484 IonicContact NH1-OE1 3.01Å; R183-E484 PolarHBondContact NH1-OE1 3.27Å; R183-E484 IonicContact NH1-OE2 3.29Å; R183-E484 PolarHBondContact NH1-OE2 3.04Å; R183-E484 IonicContact NH2-OE1 3.41Å; R183-E484 PolarHBondContact NH2-OE1 3.4Å; R183-E484 IonicContact NH2-OE2 2.98Å; N482-E484 PolarHBondContact O-N 3.41Å; N482-E484 VanDerWaalsContact OD1-CB 3.28Å; N482-E484 WeakPolarHBondContact OD1-CB 3.44Å; N482-E484 PolarHBondContact OD1-N 2.76Å; E484-A488 WeakPolarHBondContact O-CB 3.48Å; E484-A488 PolarHBondContact O-N 3.41Å
485	I	98	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-46.7	177.5	-62.9	177.5	0	0	0	109.7	L179 T480 N482 S487 A488 L489 L507	L179-I485 HydrophobicContact CD2-CG1 4.28Å; L179-I485 HydrophobicContact CD2-CG2 4.49Å; T480-I485 HydrophobicContact CG2-CB 4.02Å; T480-I485 HydrophobicContact CG2-CG2 3.91Å; N482-I485 HydrophobicContact CB-CB 4.12Å; N482-I485 HydrophobicContact CB-CD1 3.93Å; N482-I485 HydrophobicContact CB-CG1 4.03Å; N482-I485 PolarHBondContact O-N 2.99Å; N482-I485 VanDerWaalsContact O-N 3.09Å; N482-I485 PolarHBondContact OD1-N 3.12Å; I485-S487 PolarHBondContact O-N 3.28Å; I485-A488 PolarHBondContact O-N 3.39Å; I485-L489 HydrophobicContact CG2-CD1 3.73Å; I485-L489 HydrophobicContact CG2-CG 4.18Å; I485-L489 WeakPolarHBondContact O-CB 3.28Å; I485-L489 VanDerWaalsContact O-CG 3.29Å; I485-L489 WeakPolarHBondContact O-CG 3.45Å; I485-L489 PolarHBondContact O-N 3.38Å; I485-L507 HydrophobicContact CD1-CD2 4.36Å; I485-L507 HydrophobicContact CG2-CB 4.32Å; I485-L507 HydrophobicContact CG2-CD1 4.46Å; I485-L507 HydrophobicContact CG2-CD2 4.26Å
486	A	98.4	Very high	97.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-48.6	179.9	0	0	0	0	0	111.7	F476 R477 T480 N482 A488 L489 E490	F476-A486 HydrophobicContact CB-CB 4.11Å; R477-A486 HydrophobicContact CG-CB 3.98Å; T480-A486 HydrophobicContact CG2-CB 3.81Å; N482-A486 PolarHBondContact O-N 3.14Å; A486-A488 PolarHBondContact O-N 3.13Å; A486-L489 PolarHBondContact O-N 3.1Å; A486-E490 WeakPolarHBondContact O-CB 3.46Å; A486-E490 PolarHBondContact O-N 2.84Å
487	S	98.3	Very high	97.5	Very high	50 Å²	50	47.4 Å²	47.4	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-41.2	179.6	-63	0	0	0	0	112.4	E483 I485 E491	E483-S487 VanDerWaalsContact O-CB 3.23Å; E483-S487 WeakPolarHBondContact O-CB 3.42Å; E483-S487 PolarHBondContact O-N 3.45Å; E483-S487 PolarHBondContact O-OG 2.72Å; E483-S487 PolarHBondContact OE1-OG 3.01Å; I485-S487 PolarHBondContact O-N 3.28Å; S487-E491 WeakPolarHBondContact O-CB 3.36Å; S487-E491 PolarHBondContact O-N 3.48Å
488	A	98.3	Very high	97.5	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-37	177.7	0	0	0	0	0	112.5	K178 L179 E484 I485 A486 E491 F492	K178-A488 HydrophobicContact CD-CB 4.08Å; L179-A488 HydrophobicContact CD1-CB 4.49Å; L179-A488 HydrophobicContact CD2-CB 3.74Å; E484-A488 WeakPolarHBondContact O-CB 3.48Å; E484-A488 PolarHBondContact O-N 3.41Å; I485-A488 PolarHBondContact O-N 3.39Å; A486-A488 PolarHBondContact O-N 3.13Å; A488-E491 PolarHBondContact O-N 2.58Å; A488-F492 VanDerWaalsContact O-CB 3.32Å; A488-F492 WeakPolarHBondContact O-CB 3.34Å; A488-F492 WeakPolarHBondContact O-CD2 3.3Å; A488-F492 WeakPolarHBondContact O-CG 3.33Å; A488-F492 PolarHBondContact O-N 3.36Å
489	L	98.4	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-40.6	175.6	-73.2	175.1	0	0	0	112	L179 F476 F479 I485 A486 E491 F492 Y493 L499 L507	L179-L489 HydrophobicContact CD1-CD2 3.59Å; L179-L489 HydrophobicContact CD1-CG 3.95Å; F476-L489 HydrophobicContact CD1-CB 3.4Å; F476-L489 VanDerWaalsContact CD1-CB 3.4Å; F476-L489 HydrophobicContact CD1-CD1 3.84Å; F476-L489 HydrophobicContact CD1-CG 4.25Å; F476-L489 HydrophobicContact CD2-CB 4.48Å; F476-L489 HydrophobicContact CE1-CB 3.61Å; F476-L489 HydrophobicContact CE1-CD1 4.29Å; F476-L489 HydrophobicContact CE1-CG 4.45Å; F476-L489 HydrophobicContact CG-CB 3.88Å; F476-L489 HydrophobicContact CZ-CB 4.24Å; F479-L489 HydrophobicContact CD1-CD1 4.02Å; F479-L489 HydrophobicContact CE1-CD1 3.7Å; I485-L489 HydrophobicContact CG2-CD1 3.73Å; I485-L489 HydrophobicContact CG2-CG 4.18Å; I485-L489 WeakPolarHBondContact O-CB 3.28Å; I485-L489 VanDerWaalsContact O-CG 3.29Å; I485-L489 WeakPolarHBondContact O-CG 3.45Å; I485-L489 PolarHBondContact O-N 3.38Å; A486-L489 PolarHBondContact O-N 3.1Å; L489-E491 VanDerWaalsContact C-N 3.31Å; L489-E491 PolarHBondContact O-N 3.42Å; L489-F492 PolarHBondContact O-N 3.47Å; L489-Y493 HydrophobicContact CD2-CD2 3.89Å; L489-Y493 HydrophobicContact CD2-CE2 3.71Å; L489-Y493 PolarHBondContact O-N 2.83Å; L489-L499 HydrophobicContact CD2-CD1 4.11Å; L489-L507 HydrophobicContact CD1-CD1 4.12Å; L489-L507 HydrophobicContact CD2-CD1 3.88Å; L489-L507 HydrophobicContact CG-CD1 4.39Å
490	E	97.8	Very high	97.7	Very high	77 Å²	77	38.6 Å²	38.6	36%	0.36	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-45.6	171.7	-169.7	79	-125.4	0	0	110.6	F476 A486 F492 G494	F476-E490 HydrophobicContact CD2-CB 3.89Å; F476-E490 HydrophobicContact CD2-CG 4.45Å; F476-E490 WeakPolarHBondContact CD2-OE2 3.32Å; F476-E490 HydrophobicContact CE2-CB 4.36Å; A486-E490 WeakPolarHBondContact O-CB 3.46Å; A486-E490 PolarHBondContact O-N 2.84Å; E490-F492 PolarHBondContact O-N 2.82Å; E490-G494 WeakPolarHBondContact O-CA 3.23Å; E490-G494 PolarHBondContact O-N 3.19Å
491	E	97.6	Very high	97.8	Very high	115 Å²	115	38.3 Å²	38.3	54%	0.537	20%	0.204	S	C	.	.	H	α-helix	trans	-61.4	-41.8	174.7	-174.2	-169	178.6	0	0	111.9	K166 K178 S487 A488 L489	K166-E491 PolarHBondContact NZ-O 3.01Å; K178-E491 IonicContact NZ-OE2 2.91Å; K178-E491 PolarHBondContact NZ-OE2 2.89Å; S487-E491 WeakPolarHBondContact O-CB 3.36Å; S487-E491 PolarHBondContact O-N 3.48Å; A488-E491 PolarHBondContact O-N 2.58Å; L489-E491 VanDerWaalsContact C-N 3.31Å; L489-E491 PolarHBondContact O-N 3.42Å
492	F	97.8	Very high	98	Very high	30 Å²	30	32.2 Å²	32.2	13%	0.132	17%	0.172	C	C	.	.	H	α-helix	trans	-74.5	-48.9	-176.7	-73.1	-17.9	0	0	0	113.5	P170 V174 L175 K178 L179 A488 L489 E490	P170-F492 HydrophobicContact CB-CB 3.86Å; P170-F492 HydrophobicContact CB-CD1 4.36Å; P170-F492 HydrophobicContact CB-CD2 4.39Å; P170-F492 HydrophobicContact CB-CG 3.97Å; P170-F492 HydrophobicContact CG-CB 4.07Å; V174-F492 HydrophobicContact CG1-CE1 4.27Å; V174-F492 HydrophobicContact CG1-CZ 3.91Å; L175-F492 HydrophobicContact CB-CE2 4.44Å; K178-F492 HydrophobicContact CB-CZ 4.41Å; K178-F492 HydrophobicContact CD-CE1 4.4Å; K178-F492 HydrophobicContact CD-CE2 4Å; K178-F492 HydrophobicContact CD-CZ 3.5Å; L179-F492 HydrophobicContact CD1-CD2 4.04Å; L179-F492 HydrophobicContact CD1-CE2 3.94Å; L179-F492 HydrophobicContact CG-CE2 4.3Å; A488-F492 VanDerWaalsContact O-CB 3.32Å; A488-F492 WeakPolarHBondContact O-CB 3.34Å; A488-F492 WeakPolarHBondContact O-CD2 3.3Å; A488-F492 WeakPolarHBondContact O-CG 3.33Å; A488-F492 PolarHBondContact O-N 3.36Å; L489-F492 PolarHBondContact O-N 3.47Å; E490-F492 PolarHBondContact O-N 2.82Å
493	Y	98	Very high	98.1	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-100.5	-32.1	-170.7	-70.8	-76.4	0	0	0	113.3	L169 P170 L175 L489 D495 A498 L499 E500	L169-Y493 HydrophobicContact CD2-CD1 4.41Å; L169-Y493 HydrophobicContact CD2-CE1 4.12Å; P170-Y493 HydrophobicContact CG-CD1 4.36Å; P170-Y493 HydrophobicContact CG-CE1 3.77Å; P170-Y493 HydrophobicContact CG-CE2 4.01Å; L175-Y493 HydrophobicContact CD1-CE2 4.05Å; L175-Y493 VanDerWaalsContact CD1-OH 3.22Å; L175-Y493 WeakPolarHBondContact CD1-OH 3.48Å; L489-Y493 HydrophobicContact CD2-CD2 3.89Å; L489-Y493 HydrophobicContact CD2-CE2 3.71Å; L489-Y493 PolarHBondContact O-N 2.83Å; Y493-D495 PolarHBondContact O-N 3.49Å; Y493-D495 VanDerWaalsContact O-N 3.13Å; Y493-A498 WeakPolarHBondContact CD1-O 3.42Å; Y493-A498 WeakPolarHBondContact CE1-O 3.43Å; Y493-L499 HydrophobicContact CD2-CD1 4.18Å; Y493-L499 HydrophobicContact CE2-CD1 3.83Å; Y493-E500 HydrophobicContact CE1-CG 3.89Å; Y493-E500 WeakPolarHBondContact CE1-OE1 3.47Å; Y493-E500 PolarHBondContact OH-OE1 3.46Å
494	G	97.1	Very high	98.2	Very high	37 Å²	37	24.8 Å²	24.8	38%	0.381	14%	0.135	S	C	.	.	S	Bend	trans	71.1	-11.1	-177.4	0	0	0	0	0	115.7	E490	E490-G494 WeakPolarHBondContact O-CA 3.23Å; E490-G494 PolarHBondContact O-N 3.19Å
495	D	98	Very high	98.2	Very high	42 Å²	42	20.8 Å²	20.8	23%	0.225	12%	0.116	C	C	.	.	S	Bend	trans	-151.7	133.8	178	-164.7	-34.8	0	0	0	109	F476 Y493 D497 A498	F476-D495 WeakPolarHBondContact CZ-O 3.43Å; Y493-D495 PolarHBondContact O-N 3.49Å; Y493-D495 VanDerWaalsContact O-N 3.13Å; D495-D497 PolarHBondContact O-N 3.27Å; D495-D497 PolarHBondContact OD1-N 3.39Å; D495-A498 HydrophobicContact CB-CB 4.37Å; D495-A498 WeakPolarHBondContact O-CB 3.39Å; D495-A498 PolarHBondContact O-N 2.87Å
496	I	98.4	Very high	98.3	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.056	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.5	-30.3	178.2	-174.2	59.9	0	0	0	111.9	Y473 F476 F479 A498 L499	Y473-I496 WeakPolarHBondContact O-CG2 3.13Å; F476-I496 HydrophobicContact CD1-CD1 3.52Å; F476-I496 HydrophobicContact CE1-CD1 3.55Å; F476-I496 HydrophobicContact CE2-CB 4.39Å; F476-I496 HydrophobicContact CG-CD1 4.15Å; F476-I496 HydrophobicContact CZ-CB 4.33Å; F476-I496 HydrophobicContact CZ-CD1 4.2Å; F479-I496 HydrophobicContact CB-CD1 4.16Å; F479-I496 HydrophobicContact CG-CD1 4.48Å; I496-A498 PolarHBondContact O-N 3.27Å; I496-L499 HydrophobicContact CD1-CB 4.47Å; I496-L499 HydrophobicContact CD1-CD2 4.06Å; I496-L499 WeakPolarHBondContact O-CB 3.2Å; I496-L499 PolarHBondContact O-N 2.97Å; I496-L499 VanDerWaalsContact O-N 3.13Å
497	D	98.3	Very high	98.3	Very high	56 Å²	56	20.9 Å²	20.9	30%	0.299	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-73.3	-3.7	175.6	-72.2	-30.8	0	0	0	112.8	K164 P460 N462 D495	K164-D497 HydrophobicContact CB-CB 4.21Å; K164-D497 HydrophobicContact CG-CB 4.08Å; P460-D497 WeakPolarHBondContact CB-O 3.2Å; P460-D497 VanDerWaalsContact CG-O 3.24Å; P460-D497 WeakPolarHBondContact CG-O 3.04Å; N462-D497 PolarHBondContact ND2-OD1 3.4Å; D495-D497 PolarHBondContact O-N 3.27Å; D495-D497 PolarHBondContact OD1-N 3.39Å
498	A	98.2	Very high	98.3	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-106	8.9	171.7	0	0	0	0	0	113.2	L161 Y493 D495 I496 E500	L161-A498 HydrophobicContact CD1-CB 4.26Å; L161-A498 WeakPolarHBondContact CD1-O 3.46Å; Y493-A498 WeakPolarHBondContact CD1-O 3.42Å; Y493-A498 WeakPolarHBondContact CE1-O 3.43Å; D495-A498 HydrophobicContact CB-CB 4.37Å; D495-A498 WeakPolarHBondContact O-CB 3.39Å; D495-A498 PolarHBondContact O-N 2.87Å; I496-A498 PolarHBondContact O-N 3.27Å; A498-E500 PolarHBondContact O-N 3.43Å
499	L	98.7	Very high	98.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.112	C	C	.	.			trans	-67.4	127.8	174.4	-179.4	58.8	0	0	0	110.8	P460 F461 F476 F479 L489 Y493 I496 P503	P460-L499 WeakPolarHBondContact CA-O 3.28Å; F461-L499 HydrophobicContact CB-CB 4.39Å; F461-L499 HydrophobicContact CB-CD2 4.48Å; F461-L499 HydrophobicContact CB-CG 4.23Å; F461-L499 WeakPolarHBondContact CB-O 3.4Å; F461-L499 HydrophobicContact CD1-CD2 4.04Å; F461-L499 PolarHBondContact N-O 2.92Å; F476-L499 HydrophobicContact CE1-CB 4.27Å; F476-L499 HydrophobicContact CE1-CD1 4.37Å; F476-L499 HydrophobicContact CE1-CD2 4.4Å; F479-L499 HydrophobicContact CD1-CD2 4.43Å; F479-L499 HydrophobicContact CD2-CD2 4.09Å; F479-L499 HydrophobicContact CE1-CD2 4.13Å; F479-L499 HydrophobicContact CE2-CD2 3.75Å; F479-L499 HydrophobicContact CG-CD2 4.4Å; F479-L499 HydrophobicContact CZ-CD2 3.77Å; L489-L499 HydrophobicContact CD2-CD1 4.11Å; Y493-L499 HydrophobicContact CD2-CD1 4.18Å; Y493-L499 HydrophobicContact CE2-CD1 3.83Å; I496-L499 HydrophobicContact CD1-CB 4.47Å; I496-L499 HydrophobicContact CD1-CD2 4.06Å; I496-L499 WeakPolarHBondContact O-CB 3.2Å; I496-L499 PolarHBondContact O-N 2.97Å; I496-L499 VanDerWaalsContact O-N 3.13Å; L499-P503 HydrophobicContact CD1-CB 4.43Å
500	E	98.8	Very high	98	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.019	12%	0.124	C	C	.	.			trans	-71	150.5	178.4	-69.9	171.4	-100.8	0	0	112.4	L161 R454 Y493 A498 P503 G504	L161-E500 HydrophobicContact CD1-CG 4.12Å; R454-E500 WeakPolarHBondContact CG-OE2 3.35Å; R454-E500 IonicContact CZ-OE1 2.61Å; R454-E500 IonicContact CZ-OE2 2.76Å; R454-E500 IonicContact NE-OE1 3.68Å; R454-E500 PolarHBondContact NE-OE1 2.89Å; R454-E500 IonicContact NE-OE2 3.36Å; R454-E500 PolarHBondContact NE-OE2 3.34Å; R454-E500 IonicContact NH2-OE1 3.76Å; R454-E500 PolarHBondContact NH2-OE1 2.94Å; R454-E500 IonicContact NH2-OE2 3.45Å; Y493-E500 HydrophobicContact CE1-CG 3.89Å; Y493-E500 WeakPolarHBondContact CE1-OE1 3.47Å; Y493-E500 PolarHBondContact OH-OE1 3.46Å; A498-E500 PolarHBondContact O-N 3.43Å; E500-P503 HydrophobicContact CB-CG 3.96Å; E500-G504 PolarHBondContact O-N 2.92Å
501	F	98.8	Very high	97.7	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-55.9	-56.8	-175.1	-179.6	-107.4	0	0	0	114.3	E378 Q381 L382 I458 F461 Y464 G504 L505 M523	E378-F501 HydrophobicContact CB-CE1 4.09Å; E378-F501 HydrophobicContact CB-CZ 4.04Å; E378-F501 WeakPolarHBondContact O-CE1 3.45Å; Q381-F501 HydrophobicContact CB-CD1 4.28Å; Q381-F501 HydrophobicContact CB-CE1 4.16Å; L382-F501 HydrophobicContact CB-CE1 4.48Å; I458-F501 HydrophobicContact CG2-CB 3.64Å; I458-F501 HydrophobicContact CG2-CG 4.16Å; F461-F501 HydrophobicContact CD2-CD2 4.38Å; Y464-F501 HydrophobicContact CD1-CD2 4.37Å; Y464-F501 HydrophobicContact CD1-CE2 4.07Å; Y464-F501 HydrophobicContact CD2-CB 4.44Å; Y464-F501 AromaticContact CD2-CD2 3.5Å; Y464-F501 HydrophobicContact CD2-CD2 3.5Å; Y464-F501 VanDerWaalsContact CD2-CD2 3.5Å; Y464-F501 HydrophobicContact CD2-CE2 4.04Å; Y464-F501 HydrophobicContact CD2-CG 4.23Å; Y464-F501 HydrophobicContact CE2-CD2 4.11Å; Y464-F501 HydrophobicContact CE2-CG 4.46Å; Y464-F501 AromaticContact CG-CD2 3.64Å; Y464-F501 HydrophobicContact CG-CD2 3.64Å; Y464-F501 AromaticContact CG-CE2 3.7Å; Y464-F501 HydrophobicContact CG-CE2 3.7Å; F501-G504 PolarHBondContact O-N 2.76Å; F501-L505 HydrophobicContact CD1-CD1 4.01Å; F501-L505 HydrophobicContact CE1-CD1 3.5Å; F501-L505 HydrophobicContact CE2-CD1 4.07Å; F501-L505 HydrophobicContact CE2-CG 4.48Å; F501-L505 HydrophobicContact CG-CD1 4.5Å; F501-L505 HydrophobicContact CZ-CD1 3.55Å; F501-L505 HydrophobicContact CZ-CG 4.41Å; F501-L505 WeakPolarHBondContact O-CG 3.44Å; F501-L505 PolarHBondContact O-N 3.34Å; F501-M523 HydrophobicContact CE2-SD 3.68Å; F501-M523 HydrophobicContact CZ-SD 4.32Å
502	Y	98.7	Very high	97.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-45.5	-175.7	177.3	-110.6	0	0	0	113.5	Q381 H384 A446 T449 I450 G504 L505 L506	Q381-Y502 WeakPolarHBondContact O-CD2 3.24Å; H384-Y502 HydrophobicContact CB-CE2 3.57Å; H384-Y502 PolarHBondContact O-OH 2.84Å; A446-Y502 HydrophobicContact CB-CE1 3.92Å; T449-Y502 HydrophobicContact CG2-CD1 3.81Å; T449-Y502 HydrophobicContact CG2-CD2 4.03Å; T449-Y502 HydrophobicContact CG2-CE1 4Å; T449-Y502 HydrophobicContact CG2-CE2 4.25Å; T449-Y502 HydrophobicContact CG2-CG 3.79Å; I450-Y502 HydrophobicContact CG1-CD1 3.93Å; Y502-G504 VanDerWaalsContact C-N 3.3Å; Y502-G504 PolarHBondContact O-N 3Å; Y502-L505 PolarHBondContact O-N 2.83Å; Y502-L506 HydrophobicContact CD2-CD1 4.45Å; Y502-L506 HydrophobicContact CD2-CG 4.48Å; Y502-L506 HydrophobicContact CE1-CD1 3.84Å; Y502-L506 HydrophobicContact CE2-CD1 3.68Å; Y502-L506 HydrophobicContact CE2-CG 4.01Å; Y502-L506 PolarHBondContact O-N 3.48Å; Y502-L506 WeakPolarHBondContact OH-CD1 3.32Å
503	P	98.6	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.5	-42.4	168.7	-28	37.7	0	0	0	112.9	L175 I450 L499 E500 L505 L506 L507	L175-P503 HydrophobicContact CD1-CG 4.3Å; L175-P503 HydrophobicContact CD2-CB 4.38Å; L175-P503 HydrophobicContact CD2-CG 4.32Å; I450-P503 HydrophobicContact CD1-CG 4.11Å; I450-P503 HydrophobicContact CG1-CG 4.12Å; L499-P503 HydrophobicContact CD1-CB 4.43Å; E500-P503 HydrophobicContact CB-CG 3.96Å; P503-L505 PolarHBondContact O-N 3.08Å; P503-L506 PolarHBondContact O-N 3.28Å; P503-L507 HydrophobicContact CB-CD1 4.28Å; P503-L507 VanDerWaalsContact O-CB 3.26Å; P503-L507 WeakPolarHBondContact O-CB 3.12Å; P503-L507 VanDerWaalsContact O-CG 3.26Å; P503-L507 WeakPolarHBondContact O-CG 3.45Å; P503-L507 PolarHBondContact O-N 3.32Å
504	G	98.6	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-47.2	176.3	0	0	0	0	0	112.6	F479 E500 F501 Y502 L506 E508	F479-G504 WeakPolarHBondContact CE2-O 3.45Å; F479-G504 VanDerWaalsContact CZ-O 3.25Å; F479-G504 WeakPolarHBondContact CZ-O 3.36Å; E500-G504 PolarHBondContact O-N 2.92Å; F501-G504 PolarHBondContact O-N 2.76Å; Y502-G504 VanDerWaalsContact C-N 3.3Å; Y502-G504 PolarHBondContact O-N 3Å; G504-L506 PolarHBondContact O-N 3.25Å; G504-E508 WeakPolarHBondContact O-CB 3.49Å; G504-E508 PolarHBondContact O-N 2.77Å; G504-E508 VanDerWaalsContact O-N 3.1Å
505	L	98.6	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-38.4	178.9	-74.4	172.5	0	0	0	114.3	L382 F461 F501 Y502 P503 M520 M523	L382-L505 HydrophobicContact CB-CD1 3.93Å; L382-L505 HydrophobicContact CD1-CD1 4.23Å; L382-L505 HydrophobicContact CD1-CD2 4.42Å; L382-L505 HydrophobicContact CG-CD1 3.96Å; F461-L505 HydrophobicContact CE2-CD2 4Å; F461-L505 HydrophobicContact CE2-CG 4.11Å; F501-L505 HydrophobicContact CD1-CD1 4.01Å; F501-L505 HydrophobicContact CE1-CD1 3.5Å; F501-L505 HydrophobicContact CE2-CD1 4.07Å; F501-L505 HydrophobicContact CE2-CG 4.48Å; F501-L505 HydrophobicContact CG-CD1 4.5Å; F501-L505 HydrophobicContact CZ-CD1 3.55Å; F501-L505 HydrophobicContact CZ-CG 4.41Å; F501-L505 WeakPolarHBondContact O-CG 3.44Å; F501-L505 PolarHBondContact O-N 3.34Å; Y502-L505 PolarHBondContact O-N 2.83Å; P503-L505 PolarHBondContact O-N 3.08Å; L505-M520 HydrophobicContact CB-CE 3.91Å; L505-M520 HydrophobicContact CD2-CE 4.42Å; L505-M520 HydrophobicContact CD2-SD 4.45Å; L505-M523 HydrophobicContact CD2-SD 4.01Å
506	L	98.5	Very high	96.5	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-85.7	-25.3	-176.4	-67.9	-172.3	0	0	0	113.9	L180 I432 G433 G434 G435 M438 Y502 P503 G504 M520	L180-L506 HydrophobicContact CD1-CD1 4.32Å; L180-L506 HydrophobicContact CD2-CB 3.72Å; L180-L506 HydrophobicContact CD2-CD1 4Å; I432-L506 HydrophobicContact CG2-CD2 4Å; G433-L506 CarbonylContact C-O 3.16Å; G434-L506 PolarHBondContact N-O 3.05Å; G435-L506 PolarHBondContact N-O 3.04Å; M438-L506 HydrophobicContact CE-CD1 3.75Å; Y502-L506 HydrophobicContact CD2-CD1 4.45Å; Y502-L506 HydrophobicContact CD2-CG 4.48Å; Y502-L506 HydrophobicContact CE1-CD1 3.84Å; Y502-L506 HydrophobicContact CE2-CD1 3.68Å; Y502-L506 HydrophobicContact CE2-CG 4.01Å; Y502-L506 PolarHBondContact O-N 3.48Å; Y502-L506 WeakPolarHBondContact OH-CD1 3.32Å; P503-L506 PolarHBondContact O-N 3.28Å; G504-L506 PolarHBondContact O-N 3.25Å; L506-M520 HydrophobicContact CD2-CE 4.41Å
507	L	98.5	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-97.8	-12	-176.7	-61.8	174	0	0	0	113.3	L179 L180 F479 I485 L489 P503	L179-L507 HydrophobicContact CB-CD1 4.12Å; L179-L507 HydrophobicContact CB-CD2 3.88Å; L179-L507 HydrophobicContact CD1-CD1 3.93Å; L179-L507 WeakPolarHBondContact O-CD2 3.17Å; L180-L507 HydrophobicContact CD2-CD2 3.61Å; L180-L507 HydrophobicContact CD2-CG 3.95Å; L180-L507 HydrophobicContact CG-CD2 4.49Å; F479-L507 HydrophobicContact CE1-CB 3.73Å; F479-L507 VanDerWaalsContact CZ-C 3.41Å; F479-L507 HydrophobicContact CZ-CB 3.81Å; I485-L507 HydrophobicContact CD1-CD2 4.36Å; I485-L507 HydrophobicContact CG2-CB 4.32Å; I485-L507 HydrophobicContact CG2-CD1 4.46Å; I485-L507 HydrophobicContact CG2-CD2 4.26Å; L489-L507 HydrophobicContact CD1-CD1 4.12Å; L489-L507 HydrophobicContact CD2-CD1 3.88Å; L489-L507 HydrophobicContact CG-CD1 4.39Å; P503-L507 HydrophobicContact CB-CD1 4.28Å; P503-L507 VanDerWaalsContact O-CB 3.26Å; P503-L507 WeakPolarHBondContact O-CB 3.12Å; P503-L507 VanDerWaalsContact O-CG 3.26Å; P503-L507 WeakPolarHBondContact O-CG 3.45Å; P503-L507 PolarHBondContact O-N 3.32Å
508	E	98.4	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-57.2	139.8	176.9	-171.7	178.4	-132.1	0	0	110.6	G434 R465 Y473 F479 G504 T510 E518 S519	G434-E508 PolarHBondContact N-O 2.75Å; R465-E508 IonicContact NH1-OE1 3.44Å; R465-E508 PolarHBondContact NH1-OE1 2.7Å; R465-E508 VanDerWaalsContact NH1-OE1 3.09Å; Y473-E508 HydrophobicContact CE2-CG 4.35Å; Y473-E508 VanDerWaalsContact CE2-OE1 3.3Å; Y473-E508 WeakPolarHBondContact CE2-OE1 3.33Å; Y473-E508 WeakPolarHBondContact OH-CG 3.37Å; Y473-E508 PolarHBondContact OH-OE1 3.12Å; F479-E508 HydrophobicContact CD2-CB 4.42Å; F479-E508 HydrophobicContact CD2-CG 4.41Å; F479-E508 HydrophobicContact CE2-CB 3.67Å; F479-E508 HydrophobicContact CE2-CG 4.1Å; F479-E508 VanDerWaalsContact CZ-CA 3.45Å; F479-E508 HydrophobicContact CZ-CB 4.02Å; G504-E508 WeakPolarHBondContact O-CB 3.49Å; G504-E508 PolarHBondContact O-N 2.77Å; G504-E508 VanDerWaalsContact O-N 3.1Å; E508-T510 PolarHBondContact O-N 2.8Å; E508-E518 PolarHBondContact OE2-N 2.98Å; E508-S519 VanDerWaalsContact CD-OG 3.26Å; E508-S519 PolarHBondContact OE1-OG 3.2Å; E508-S519 WeakPolarHBondContact OE2-CB 3.47Å; E508-S519 PolarHBondContact OE2-N 2.98Å; E508-S519 PolarHBondContact OE2-OG 3.04Å
509	K	96.6	Very high	96.2	Very high	64 Å²	64	17.5 Å²	17.5	28%	0.278	11%	0.108	S	C	.	.	P	Polyproline II helix	trans	-55.5	135.7	173.4	61	-173.7	172.1	-166.3	0	111	D478 F479 G517	D478-K509 VanDerWaalsContact O-CE 3.26Å; D478-K509 WeakPolarHBondContact O-CE 3.01Å; D478-K509 PolarHBondContact O-NZ 2.71Å; D478-K509 IonicContact OD1-NZ 3.42Å; F479-K509 WeakPolarHBondContact O-CG 3.35Å; F479-K509 PolarHBondContact O-N 3.17Å; K509-G517 VanDerWaalsContact O-CA 3.27Å; K509-G517 WeakPolarHBondContact O-CA 2.94Å
510	T	95.4	Very high	96.1	Very high	41 Å²	41	17.6 Å²	17.6	25%	0.252	11%	0.108	S	C	.	.	P	Polyproline II helix	trans	-82.8	150.3	177.6	60.3	0	0	0	0	110.6	Q431 G433 E508	Q431-T510 PolarHBondContact NE2-OG1 3.19Å; G433-T510 VanDerWaalsContact C-CG2 3.43Å; E508-T510 PolarHBondContact O-N 2.8Å
511	R	90.6	Very high	96	Very high	24 Å²	24	18.4 Å²	18.4	9%	0.091	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-66.9	153.5	169.1	-55.3	164	170.4	-76.9	-7.1	109.1	D85 G513 T514 E518	D85-R511 IonicContact OD1-CZ 3.49Å; D85-R511 IonicContact OD1-NH1 2.72Å; D85-R511 PolarHBondContact OD1-NH1 3.17Å; D85-R511 IonicContact OD1-NH2 3.97Å; D85-R511 PolarHBondContact OD1-NH2 3.01Å; R511-G513 PolarHBondContact O-N 3.04Å; R511-T514 WeakPolarHBondContact CA-OG1 3.31Å; R511-T514 HydrophobicContact CB-CG2 3.87Å; R511-T514 VanDerWaalsContact CB-OG1 3.29Å; R511-T514 WeakPolarHBondContact CB-OG1 3.36Å; R511-T514 PolarHBondContact N-OG1 3.24Å; R511-T514 PolarHBondContact O-N 3.34Å; R511-T514 VanDerWaalsContact O-N 3.13Å; R511-T514 PolarHBondContact O-OG1 3.37Å; R511-E518 IonicContact NH2-OE1 2.77Å
512	P	88.3	Confident	95.9	Very high	130 Å²	130	18.7 Å²	18.7	84%	0.844	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	125.6	178	-26.5	35.4	0	0	0	111.6	T514	P512-T514 VanDerWaalsContact C-N 3.3Å; P512-T514 PolarHBondContact O-N 2.75Å
513	G	90.4	Very high	95.9	Very high	49 Å²	49	18.6 Å²	18.6	51%	0.505	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	12	178.5	0	0	0	0	0	115.5	Q190 R511	Q190-G513 VanDerWaalsContact CG-O 3.24Å; Q190-G513 WeakPolarHBondContact CG-O 3.26Å; R511-G513 PolarHBondContact O-N 3.04Å
514	T	93.8	Very high	95.9	Very high	13 Å²	13	19 Å²	19	8%	0.08	12%	0.118	C	C	.	.			trans	-114.8	157	-178.5	70.9	0	0	0	0	113.9	Q190 Q431 R511 P512 F516	Q190-T514 VanDerWaalsContact OE1-CA 3.3Å; Q431-T514 PolarHBondContact NE2-O 3.14Å; R511-T514 WeakPolarHBondContact CA-OG1 3.31Å; R511-T514 HydrophobicContact CB-CG2 3.87Å; R511-T514 VanDerWaalsContact CB-OG1 3.29Å; R511-T514 WeakPolarHBondContact CB-OG1 3.36Å; R511-T514 PolarHBondContact N-OG1 3.24Å; R511-T514 PolarHBondContact O-N 3.34Å; R511-T514 VanDerWaalsContact O-N 3.13Å; R511-T514 PolarHBondContact O-OG1 3.37Å; P512-T514 VanDerWaalsContact C-N 3.3Å; P512-T514 PolarHBondContact O-N 2.75Å; T514-F516 PolarHBondContact O-N 2.94Å; T514-F516 PolarHBondContact OG1-O 3.41Å
515	I	96.6	Very high	95.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-72.2	-25.2	-174.6	-165.8	171.8	0	0	0	114.2	D188 L350 L388 Q431 I432 G433	D188-I515 HydrophobicContact CB-CD1 4.21Å; D188-I515 HydrophobicContact CB-CG1 4.2Å; D188-I515 WeakPolarHBondContact OD1-CA 3.36Å; D188-I515 WeakPolarHBondContact OD1-CB 3.26Å; D188-I515 VanDerWaalsContact OD1-CG1 3.3Å; D188-I515 WeakPolarHBondContact OD1-CG1 3.3Å; L350-I515 HydrophobicContact CD1-CG2 3.81Å; L388-I515 HydrophobicContact CD2-CD1 3.88Å; Q431-I515 VanDerWaalsContact CG-O 3.27Å; Q431-I515 WeakPolarHBondContact CG-O 3.45Å; I432-I515 HydrophobicContact CB-CG1 4.19Å; I432-I515 HydrophobicContact CD1-CD1 3.63Å; I432-I515 HydrophobicContact CD1-CG1 3.9Å; I432-I515 HydrophobicContact CG1-CD1 3.95Å; I432-I515 HydrophobicContact CG1-CG1 3.88Å; I432-I515 PolarHBondContact N-O 2.93Å; G433-I515 PolarHBondContact N-O 2.84Å
516	F	95.1	Very high	95.8	Very high	11 Å²	11	20.2 Å²	20.2	5%	0.048	13%	0.129	C	C	.	.	S	Bend	trans	-149.4	179.1	180	45.9	-130.6	0	0	0	113.1	L350 W385 I432 T514 M520 V521	L350-F516 HydrophobicContact CD1-CD1 4.44Å; L350-F516 HydrophobicContact CD1-CE1 3.4Å; L350-F516 HydrophobicContact CD1-CZ 3.69Å; L350-F516 HydrophobicContact CD2-CE1 4.16Å; L350-F516 HydrophobicContact CD2-CZ 4.14Å; L350-F516 HydrophobicContact CG-CE1 3.91Å; L350-F516 HydrophobicContact CG-CZ 3.75Å; W385-F516 HydrophobicContact CH2-CE1 4.49Å; W385-F516 HydrophobicContact CZ2-CE1 4.41Å; I432-F516 HydrophobicContact CB-CB 4.44Å; I432-F516 HydrophobicContact CD1-CD1 4.13Å; T514-F516 PolarHBondContact O-N 2.94Å; T514-F516 PolarHBondContact OG1-O 3.41Å; F516-M520 HydrophobicContact CB-CB 3.85Å; F516-M520 HydrophobicContact CB-CG 3.95Å; F516-M520 HydrophobicContact CD1-CB 4.04Å; F516-M520 HydrophobicContact CD1-CG 3.36Å; F516-M520 HydrophobicContact CD2-CB 3.79Å; F516-M520 HydrophobicContact CD2-CG 4.03Å; F516-M520 HydrophobicContact CE1-CG 3.77Å; F516-M520 HydrophobicContact CE2-CB 4.41Å; F516-M520 HydrophobicContact CE2-CG 4.44Å; F516-M520 HydrophobicContact CG-CB 3.61Å; F516-M520 HydrophobicContact CG-CG 3.5Å; F516-M520 VanDerWaalsContact CG-CG 3.5Å; F516-M520 HydrophobicContact CZ-CG 4.31Å; F516-V521 HydrophobicContact CD2-CG2 3.91Å; F516-V521 HydrophobicContact CE2-CG2 3.29Å; F516-V521 HydrophobicContact CZ-CG2 4.2Å
517	G	93.8	Very high	95.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.13	C	C	.	.			trans	-80.5	178.2	176.7	0	0	0	0	0	114.9	K509 S519 M520	K509-G517 VanDerWaalsContact O-CA 3.27Å; K509-G517 WeakPolarHBondContact O-CA 2.94Å; G517-S519 PolarHBondContact O-N 3.13Å; G517-M520 PolarHBondContact O-N 3.43Å
518	E	95.7	Very high	95.8	Very high	23 Å²	23	21.4 Å²	21.4	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-45.4	-179.7	175.2	-173.1	-127.5	0	0	112.5	P84 R465 L470 E508 R511 M520 V521 E522	P84-E518 HydrophobicContact CB-CG 4.43Å; P84-E518 VanDerWaalsContact CB-OE1 3.26Å; P84-E518 WeakPolarHBondContact CB-OE1 3.09Å; P84-E518 WeakPolarHBondContact CG-OE1 3.43Å; R465-E518 IonicContact CZ-OE2 3.63Å; R465-E518 IonicContact NH1-OE2 2.68Å; R465-E518 PolarHBondContact NH1-OE2 3.42Å; R465-E518 VanDerWaalsContact NH1-OE2 3.08Å; R465-E518 IonicContact NH2-OE2 3.09Å; R465-E518 PolarHBondContact NH2-OE2 2.78Å; L470-E518 HydrophobicContact CD1-CG 4.44Å; L470-E518 HydrophobicContact CD2-CG 4.32Å; E508-E518 PolarHBondContact OE2-N 2.98Å; R511-E518 IonicContact NH2-OE1 2.77Å; E518-M520 VanDerWaalsContact C-N 3.27Å; E518-M520 PolarHBondContact O-N 3.23Å; E518-V521 WeakPolarHBondContact O-CB 3.2Å; E518-V521 PolarHBondContact O-N 2.81Å; E518-V521 VanDerWaalsContact O-N 3.11Å; E518-E522 HydrophobicContact CG-CG 3.82Å; E518-E522 WeakPolarHBondContact O-CG 3.34Å; E518-E522 PolarHBondContact O-N 2.85Å
519	S	97.8	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-35.9	-173.3	-61.8	0	0	0	0	111.8	F461 R465 E508 G517 V521 E522 M523	F461-S519 WeakPolarHBondContact CZ-OG 3.36Å; R465-S519 PolarHBondContact NH1-OG 2.95Å; E508-S519 VanDerWaalsContact CD-OG 3.26Å; E508-S519 PolarHBondContact OE1-OG 3.2Å; E508-S519 WeakPolarHBondContact OE2-CB 3.47Å; E508-S519 PolarHBondContact OE2-N 2.98Å; E508-S519 PolarHBondContact OE2-OG 3.04Å; G517-S519 PolarHBondContact O-N 3.13Å; S519-V521 VanDerWaalsContact C-N 3.32Å; S519-V521 PolarHBondContact O-N 3.35Å; S519-E522 PolarHBondContact O-N 3.43Å; S519-M523 WeakPolarHBondContact O-CB 3.39Å; S519-M523 WeakPolarHBondContact O-CG 3.23Å; S519-M523 PolarHBondContact O-N 2.92Å
520	M	97.6	Very high	95.9	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-40.4	177.2	-165.8	69.8	72.3	0	0	111.9	L382 I432 L505 L506 F516 G517 E518 G524	L382-M520 HydrophobicContact CD1-SD 4.23Å; L382-M520 HydrophobicContact CD2-SD 3.49Å; L382-M520 WeakPolarHBondContact CD2-SD 3.49Å; L382-M520 HydrophobicContact CG-SD 3.5Å; L382-M520 WeakPolarHBondContact CG-SD 3.38Å; I432-M520 HydrophobicContact CG2-CE 4.16Å; L505-M520 HydrophobicContact CB-CE 3.91Å; L505-M520 HydrophobicContact CD2-CE 4.42Å; L505-M520 HydrophobicContact CD2-SD 4.45Å; L506-M520 HydrophobicContact CD2-CE 4.41Å; F516-M520 HydrophobicContact CB-CB 3.85Å; F516-M520 HydrophobicContact CB-CG 3.95Å; F516-M520 HydrophobicContact CD1-CB 4.04Å; F516-M520 HydrophobicContact CD1-CG 3.36Å; F516-M520 HydrophobicContact CD2-CB 3.79Å; F516-M520 HydrophobicContact CD2-CG 4.03Å; F516-M520 HydrophobicContact CE1-CG 3.77Å; F516-M520 HydrophobicContact CE2-CB 4.41Å; F516-M520 HydrophobicContact CE2-CG 4.44Å; F516-M520 HydrophobicContact CG-CB 3.61Å; F516-M520 HydrophobicContact CG-CG 3.5Å; F516-M520 VanDerWaalsContact CG-CG 3.5Å; F516-M520 HydrophobicContact CZ-CG 4.31Å; G517-M520 PolarHBondContact O-N 3.43Å; E518-M520 VanDerWaalsContact C-N 3.27Å; E518-M520 PolarHBondContact O-N 3.23Å; M520-G524 WeakPolarHBondContact O-CA 3.35Å; M520-G524 PolarHBondContact O-N 3.37Å
521	V	95.8	Very high	96	Very high	20 Å²	20	17.8 Å²	17.8	12%	0.121	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-54.4	175.8	179.4	0	0	0	0	110.5	F516 E518 S519 M523 G524 A525	F516-V521 HydrophobicContact CD2-CG2 3.91Å; F516-V521 HydrophobicContact CE2-CG2 3.29Å; F516-V521 HydrophobicContact CZ-CG2 4.2Å; E518-V521 WeakPolarHBondContact O-CB 3.2Å; E518-V521 PolarHBondContact O-N 2.81Å; E518-V521 VanDerWaalsContact O-N 3.11Å; S519-V521 VanDerWaalsContact C-N 3.32Å; S519-V521 PolarHBondContact O-N 3.35Å; V521-M523 VanDerWaalsContact C-N 3.31Å; V521-M523 PolarHBondContact O-N 3.18Å; V521-G524 PolarHBondContact O-N 3.1Å; V521-A525 WeakPolarHBondContact O-CB 3.41Å; V521-A525 PolarHBondContact O-N 3.13Å
522	E	97.3	Very high	96.4	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-72	-28.8	-166.6	-66.2	-65.5	126.4	0	0	112	P84 R118 F468 L470 E518 S519 P526	P84-E522 HydrophobicContact CB-CG 4.22Å; R118-E522 IonicContact CZ-OE1 3.95Å; R118-E522 IonicContact CZ-OE2 2.91Å; R118-E522 IonicContact NH1-OE1 2.82Å; R118-E522 PolarHBondContact NH1-OE1 3.21Å; R118-E522 IonicContact NH1-OE2 3.69Å; R118-E522 PolarHBondContact NH1-OE2 2.91Å; R118-E522 IonicContact NH2-OE1 3.22Å; R118-E522 PolarHBondContact NH2-OE1 2.88Å; R118-E522 IonicContact NH2-OE2 3.08Å; R118-E522 PolarHBondContact NH2-OE2 3.41Å; F468-E522 WeakPolarHBondContact CD1-O 3.46Å; L470-E522 HydrophobicContact CD1-CB 3.8Å; L470-E522 HydrophobicContact CD1-CG 4.32Å; L470-E522 HydrophobicContact CD2-CB 3.88Å; L470-E522 HydrophobicContact CD2-CG 3.75Å; L470-E522 HydrophobicContact CG-CB 4.24Å; E518-E522 HydrophobicContact CG-CG 3.82Å; E518-E522 WeakPolarHBondContact O-CG 3.34Å; E518-E522 PolarHBondContact O-N 2.85Å; S519-E522 PolarHBondContact O-N 3.43Å; E522-P526 WeakPolarHBondContact O-CD 3.32Å; E522-P526 VanDerWaalsContact O-CG 3.29Å; E522-P526 WeakPolarHBondContact O-CG 3.21Å
523	M	98.3	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-88.2	-41.2	172.9	-55.8	176.8	-173.2	0	0	112.1	L382 F461 R465 F468 L470 F501 L505 S519 V521 P526 F527	L382-M523 HydrophobicContact CD1-CB 3.71Å; F461-M523 HydrophobicContact CD2-CE 4.49Å; F461-M523 HydrophobicContact CE2-CE 4.04Å; R465-M523 HydrophobicContact CB-CE 4.4Å; R465-M523 HydrophobicContact CG-CE 3.73Å; F468-M523 HydrophobicContact CB-CG 4.14Å; F468-M523 HydrophobicContact CD1-CB 4.43Å; F468-M523 HydrophobicContact CD1-CG 4.4Å; F468-M523 HydrophobicContact CD2-CB 4.15Å; F468-M523 HydrophobicContact CD2-CG 3.62Å; F468-M523 HydrophobicContact CD2-SD 4.48Å; F468-M523 HydrophobicContact CE1-CB 4.4Å; F468-M523 HydrophobicContact CE2-CB 4.11Å; F468-M523 HydrophobicContact CE2-CG 4.03Å; F468-M523 HydrophobicContact CG-CB 4.29Å; F468-M523 HydrophobicContact CG-CG 3.81Å; F468-M523 HydrophobicContact CZ-CB 4.22Å; L470-M523 HydrophobicContact CD1-CE 4.34Å; F501-M523 HydrophobicContact CE2-SD 3.68Å; F501-M523 HydrophobicContact CZ-SD 4.32Å; L505-M523 HydrophobicContact CD2-SD 4.01Å; S519-M523 WeakPolarHBondContact O-CB 3.39Å; S519-M523 WeakPolarHBondContact O-CG 3.23Å; S519-M523 PolarHBondContact O-N 2.92Å; V521-M523 VanDerWaalsContact C-N 3.31Å; V521-M523 PolarHBondContact O-N 3.18Å; M523-P526 WeakPolarHBondContact O-CD 3.33Å; M523-F527 WeakPolarHBondContact O-CD2 3.19Å
524	G	98	Very high	97.2	Very high	8 Å²	8	8.4 Å²	8.4	8%	0.082	5%	0.054	C	C	.	.	H	α-helix	trans	-73.6	-40.5	-175.3	0	0	0	0	0	114.1	M520 V521 F527 S528	M520-G524 WeakPolarHBondContact O-CA 3.35Å; M520-G524 PolarHBondContact O-N 3.37Å; V521-G524 PolarHBondContact O-N 3.1Å; G524-F527 PolarHBondContact O-N 2.92Å; G524-S528 WeakPolarHBondContact O-CB 3.3Å; G524-S528 PolarHBondContact O-N 3.13Å
525	A	97.4	Very high	97.5	Very high	27 Å²	27	8.5 Å²	8.5	22%	0.223	5%	0.054	C	C	.	.	H	α-helix	trans	-62.1	-44.2	-176.5	0	0	0	0	0	113.3	V521 F527 S528 L529	V521-A525 WeakPolarHBondContact O-CB 3.41Å; V521-A525 PolarHBondContact O-N 3.13Å; A525-F527 PolarHBondContact O-N 3.45Å; A525-S528 PolarHBondContact O-N 2.9Å; A525-L529 WeakPolarHBondContact O-CB 3.35Å; A525-L529 WeakPolarHBondContact O-CG 3.4Å; A525-L529 PolarHBondContact O-N 2.8Å
526	P	98.6	Very high	97.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-53.9	-48.5	172.4	-32.6	41	0	0	0	114.1	R118 L121 I122 F468 E522 M523 K530	R118-P526 HydrophobicContact CB-CG 4.42Å; R118-P526 VanDerWaalsContact O-CB 3.3Å; R118-P526 WeakPolarHBondContact O-CB 3.48Å; L121-P526 HydrophobicContact CB-CB 4.17Å; L121-P526 HydrophobicContact CB-CG 4.29Å; L121-P526 HydrophobicContact CD1-CG 3.75Å; I122-P526 HydrophobicContact CD1-CB 3.67Å; I122-P526 HydrophobicContact CG1-CB 3.83Å; F468-P526 HydrophobicContact CD1-CG 4.15Å; F468-P526 HydrophobicContact CE1-CB 4.03Å; F468-P526 HydrophobicContact CE1-CG 3.97Å; E522-P526 WeakPolarHBondContact O-CD 3.32Å; E522-P526 VanDerWaalsContact O-CG 3.29Å; E522-P526 WeakPolarHBondContact O-CG 3.21Å; M523-P526 WeakPolarHBondContact O-CD 3.33Å; P526-K530 WeakPolarHBondContact O-CB 3.18Å; P526-K530 PolarHBondContact O-N 3Å
527	F	98.6	Very high	97.7	Very high	7 Å²	7	11.3 Å²	11.3	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-45.9	178.3	-72.1	-59.3	0	0	0	111.9	I122 I149 A376 E378 F379 F468 M523 G524 A525 G531	I122-F527 HydrophobicContact CD1-CD1 3.47Å; I122-F527 VanDerWaalsContact CD1-CD1 3.47Å; I122-F527 HydrophobicContact CD1-CE1 3.67Å; I122-F527 HydrophobicContact CD1-CG 4.01Å; I122-F527 HydrophobicContact CD1-CZ 4.36Å; I122-F527 HydrophobicContact CG1-CD1 4.4Å; I149-F527 HydrophobicContact CD1-CD1 4.38Å; I149-F527 HydrophobicContact CD1-CE1 3.31Å; I149-F527 HydrophobicContact CD1-CE2 4.21Å; I149-F527 HydrophobicContact CD1-CZ 3.2Å; I149-F527 HydrophobicContact CG1-CE1 3.82Å; I149-F527 HydrophobicContact CG1-CZ 3.79Å; A376-F527 HydrophobicContact CB-CD1 4.07Å; A376-F527 HydrophobicContact CB-CE1 3.28Å; A376-F527 HydrophobicContact CB-CZ 3.74Å; E378-F527 HydrophobicContact CB-CE2 4.46Å; E378-F527 HydrophobicContact CB-CZ 4.3Å; F379-F527 HydrophobicContact CB-CB 4.04Å; F379-F527 HydrophobicContact CB-CD1 3.97Å; F379-F527 HydrophobicContact CB-CD2 3.73Å; F379-F527 HydrophobicContact CB-CE1 4.28Å; F379-F527 HydrophobicContact CB-CE2 4.06Å; F379-F527 HydrophobicContact CB-CG 3.67Å; F379-F527 HydrophobicContact CB-CZ 4.31Å; F379-F527 HydrophobicContact CD1-CB 3.82Å; F379-F527 HydrophobicContact CD1-CG 4.36Å; F379-F527 HydrophobicContact CD2-CB 3.41Å; F379-F527 VanDerWaalsContact CD2-CB 3.41Å; F379-F527 AromaticContact CD2-CD2 3.81Å; F379-F527 HydrophobicContact CD2-CD2 3.81Å; F379-F527 AromaticContact CD2-CG 3.83Å; F379-F527 HydrophobicContact CD2-CG 3.83Å; F379-F527 HydrophobicContact CE1-CB 4.08Å; F379-F527 HydrophobicContact CE2-CB 3.69Å; F379-F527 HydrophobicContact CG-CB 3.48Å; F379-F527 VanDerWaalsContact CG-CB 3.48Å; F379-F527 HydrophobicContact CG-CD1 4.32Å; F379-F527 AromaticContact CG-CD2 3.97Å; F379-F527 HydrophobicContact CG-CD2 3.97Å; F379-F527 AromaticContact CG-CG 3.71Å; F379-F527 HydrophobicContact CG-CG 3.71Å; F379-F527 HydrophobicContact CZ-CB 4.02Å; F468-F527 HydrophobicContact CE2-CE2 4.5Å; F468-F527 HydrophobicContact CZ-CD2 4.44Å; F468-F527 AromaticContact CZ-CE2 3.76Å; F468-F527 HydrophobicContact CZ-CE2 3.76Å; F468-F527 HydrophobicContact CZ-CZ 4.03Å; M523-F527 WeakPolarHBondContact O-CD2 3.19Å; G524-F527 PolarHBondContact O-N 2.92Å; A525-F527 PolarHBondContact O-N 3.45Å; F527-G531 PolarHBondContact O-N 3.36Å
528	S	98.3	Very high	97.9	Very high	20 Å²	20	11.4 Å²	11.4	14%	0.14	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-53.6	-179.7	178.5	0	0	0	0	111.4	G524 A525 K530 G531 L532	G524-S528 WeakPolarHBondContact O-CB 3.3Å; G524-S528 PolarHBondContact O-N 3.13Å; A525-S528 PolarHBondContact O-N 2.9Å; S528-K530 PolarHBondContact O-N 3.06Å; S528-G531 PolarHBondContact O-N 2.76Å; S528-L532 WeakPolarHBondContact O-CD1 3.11Å; S528-L532 VanDerWaalsContact O-CG 3.24Å; S528-L532 WeakPolarHBondContact O-CG 3.39Å; S528-L532 PolarHBondContact O-N 3.45Å
529	L	97.8	Very high	98.1	Very high	12 Å²	12	10.9 Å²	10.9	6%	0.063	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-37.5	-177.2	-65.4	177.2	0	0	0	112.2	V114 L115 R118 A525 L532 L533	V114-L529 HydrophobicContact CG1-CD1 4.04Å; L115-L529 HydrophobicContact CD2-CD1 4.28Å; L115-L529 HydrophobicContact CD2-CD2 4.04Å; R118-L529 HydrophobicContact CB-CD1 3.73Å; R118-L529 HydrophobicContact CG-CD1 3.9Å; A525-L529 WeakPolarHBondContact O-CB 3.35Å; A525-L529 WeakPolarHBondContact O-CG 3.4Å; A525-L529 PolarHBondContact O-N 2.8Å; L529-L532 PolarHBondContact O-N 2.72Å; L529-L533 PolarHBondContact O-N 3.45Å
530	K	98.4	Very high	98.1	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-40.4	173.8	-178.9	59.1	173.5	178.2	0	111.8	I122 S124 F369 Q370 G372 P526 S528 L532 G534	I122-K530 HydrophobicContact CB-CB 4.28Å; I122-K530 HydrophobicContact CB-CG 4.07Å; I122-K530 HydrophobicContact CG1-CB 4.04Å; I122-K530 HydrophobicContact CG1-CG 4.38Å; I122-K530 HydrophobicContact CG2-CB 4.46Å; I122-K530 HydrophobicContact CG2-CG 3.94Å; S124-K530 WeakPolarHBondContact OG-CE 3.44Å; S124-K530 PolarHBondContact OG-NZ 2.6Å; F369-K530 HydrophobicContact CE2-CD 4.26Å; F369-K530 HydrophobicContact CZ-CD 4.11Å; Q370-K530 PolarHBondContact O-NZ 3.24Å; G372-K530 WeakPolarHBondContact O-CE 3.4Å; G372-K530 PolarHBondContact O-NZ 2.74Å; P526-K530 WeakPolarHBondContact O-CB 3.18Å; P526-K530 PolarHBondContact O-N 3Å; S528-K530 PolarHBondContact O-N 3.06Å; K530-L532 VanDerWaalsContact C-N 3.34Å; K530-G534 WeakPolarHBondContact O-CA 3.43Å; K530-G534 PolarHBondContact O-N 2.88Å
531	G	98	Very high	98.1	Very high	10 Å²	10	19.6 Å²	19.6	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-32.8	176.1	0	0	0	0	0	113.8	F527 S528	F527-G531 PolarHBondContact O-N 3.36Å; S528-G531 PolarHBondContact O-N 2.76Å
532	L	98.5	Very high	98.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-77.9	-60	178.5	-68.3	162.8	0	0	0	111.7	F203 V226 I339 V342 I343 S528 L529 K530 N535	F203-L532 HydrophobicContact CZ-CD2 4.05Å; V226-L532 HydrophobicContact CG2-CD2 4.12Å; I339-L532 HydrophobicContact CB-CD2 4.38Å; I339-L532 HydrophobicContact CG1-CD2 4.1Å; I339-L532 HydrophobicContact CG2-CB 4.29Å; I339-L532 HydrophobicContact CG2-CD2 4.15Å; V342-L532 HydrophobicContact CB-CD2 4.01Å; V342-L532 HydrophobicContact CG1-CD1 3.69Å; V342-L532 HydrophobicContact CG1-CD2 3.73Å; V342-L532 HydrophobicContact CG1-CG 4.34Å; I343-L532 HydrophobicContact CD1-CB 4.31Å; I343-L532 HydrophobicContact CD1-CD1 4.4Å; I343-L532 HydrophobicContact CG1-CD1 3.8Å; S528-L532 WeakPolarHBondContact O-CD1 3.11Å; S528-L532 VanDerWaalsContact O-CG 3.24Å; S528-L532 WeakPolarHBondContact O-CG 3.39Å; S528-L532 PolarHBondContact O-N 3.45Å; L529-L532 PolarHBondContact O-N 2.72Å; K530-L532 VanDerWaalsContact C-N 3.34Å; L532-N535 WeakPolarHBondContact O-CB 3.23Å; L532-N535 PolarHBondContact O-N 2.61Å
533	L	98.3	Very high	98.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-82.8	-15.2	-175.6	-63.5	-164.9	0	0	0	114	L115 I343 F359 L364 F369 Y371 L529 N535 C538	L115-L533 HydrophobicContact CB-CD1 4.39Å; L115-L533 HydrophobicContact CD1-CD1 3.38Å; L115-L533 HydrophobicContact CD2-CD1 3.35Å; L115-L533 HydrophobicContact CD2-CG 4.27Å; L115-L533 HydrophobicContact CG-CD1 3.83Å; I343-L533 HydrophobicContact CD1-CD2 3.93Å; F359-L533 HydrophobicContact CD2-CD2 3.94Å; F359-L533 HydrophobicContact CE2-CD2 3.83Å; L364-L533 HydrophobicContact CD1-CB 4Å; L364-L533 HydrophobicContact CD1-CD1 3.48Å; L364-L533 VanDerWaalsContact CD1-CD1 3.48Å; L364-L533 HydrophobicContact CD1-CG 4.4Å; L364-L533 HydrophobicContact CG-CD1 4.33Å; F369-L533 HydrophobicContact CE1-CB 4.42Å; F369-L533 VanDerWaalsContact CE1-O 3.26Å; F369-L533 WeakPolarHBondContact CE1-O 3.29Å; F369-L533 HydrophobicContact CZ-CB 3.98Å; Y371-L533 WeakPolarHBondContact CD1-O 3.42Å; L529-L533 PolarHBondContact O-N 3.45Å; L533-N535 PolarHBondContact O-N 3.02Å; L533-C538 WeakPolarHBondContact O-CB 3.48Å
534	G	98.3	Very high	98.4	Very high	2 Å²	2	28 Å²	28	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-7.5	168	0	0	0	0	0	113.2	Y371 G372 K530	Y371-G534 CarbonylContact C-O 3.35Å; G372-G534 WeakPolarHBondContact CA-O 3.45Å; G372-G534 PolarHBondContact N-O 3.36Å; K530-G534 WeakPolarHBondContact O-CA 3.43Å; K530-G534 PolarHBondContact O-N 2.88Å
535	N	98.7	Very high	98.4	Very high	15 Å²	15	30.4 Å²	30.4	8%	0.08	16%	0.164	C	C	.	.	S	Bend	trans	-64.6	136.4	176	-166.7	-62.6	0	0	0	110.9	V226 I339 L532 L533 I537 C538	V226-N535 PolarHBondContact O-ND2 3.32Å; I339-N535 HydrophobicContact CD1-CB 3.81Å; L532-N535 WeakPolarHBondContact O-CB 3.23Å; L532-N535 PolarHBondContact O-N 2.61Å; L533-N535 PolarHBondContact O-N 3.02Å; N535-I537 HydrophobicContact CB-CG1 4.42Å; N535-I537 PolarHBondContact O-N 2.69Å; N535-I537 VanDerWaalsContact O-N 3.13Å; N535-I537 WeakPolarHBondContact OD1-CG1 3.45Å; N535-I537 WeakPolarHBondContact OD1-CG2 3.25Å; N535-I537 PolarHBondContact OD1-N 3.11Å; N535-C538 WeakPolarHBondContact O-CB 3.45Å; N535-C538 PolarHBondContact O-N 3.08Å
536	P	98.5	Very high	98.4	Very high	67 Å²	67	33.4 Å²	33.4	44%	0.435	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-57	-28.4	179	22.6	-35.4	0	0	0	113.7	C538 S539 Y542	P536-C538 PolarHBondContact O-N 2.96Å; P536-C538 VanDerWaalsContact O-N 3.14Å; P536-S539 WeakPolarHBondContact O-CB 3.29Å; P536-S539 PolarHBondContact O-N 3.28Å; P536-S539 PolarHBondContact O-OG 3.16Å; P536-Y542 WeakPolarHBondContact O-CB 3.44Å
537	I	98.5	Very high	98.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.7	177.2	75	160.4	0	0	0	112.8	L332 I335 I339 N535 S539 W543	L332-I537 HydrophobicContact CD2-CG2 3.92Å; I335-I537 HydrophobicContact CB-CD1 4.34Å; I335-I537 HydrophobicContact CG2-CD1 3.7Å; I335-I537 HydrophobicContact CG2-CG1 4.23Å; I335-I537 HydrophobicContact CG2-CG2 4.45Å; I339-I537 HydrophobicContact CD1-CD1 4.08Å; I339-I537 HydrophobicContact CD1-CG1 4.19Å; N535-I537 HydrophobicContact CB-CG1 4.42Å; N535-I537 PolarHBondContact O-N 2.69Å; N535-I537 VanDerWaalsContact O-N 3.13Å; N535-I537 WeakPolarHBondContact OD1-CG1 3.45Å; N535-I537 WeakPolarHBondContact OD1-CG2 3.25Å; N535-I537 PolarHBondContact OD1-N 3.11Å; I537-S539 VanDerWaalsContact C-N 3.29Å; I537-W543 VanDerWaalsContact O-CE3 3.32Å
538	C	98.6	Very high	98.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-84.3	-3.6	176.8	-60.8	0	0	0	0	112.8	P361 Y371 L533 N535 P536	P361-C538 HydrophobicContact CB-CB 4Å; P361-C538 WeakPolarHBondContact CB-O 3.37Å; P361-C538 HydrophobicContact CG-CB 4.08Å; Y371-C538 HydrophobicContact CD1-CB 4.33Å; Y371-C538 HydrophobicContact CE1-CB 4.02Å; Y371-C538 WeakPolarHBondContact CE1-O 3.45Å; Y371-C538 PolarHBondContact OH-O 2.94Å; L533-C538 WeakPolarHBondContact O-CB 3.48Å; N535-C538 WeakPolarHBondContact O-CB 3.45Å; N535-C538 PolarHBondContact O-N 3.08Å; P536-C538 PolarHBondContact O-N 2.96Å; P536-C538 VanDerWaalsContact O-N 3.14Å
539	S	98.5	Very high	98.5	Very high	13 Å²	13	33.7 Å²	33.7	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-71.4	152.9	177.8	71.5	0	0	0	0	111.4	P536 I537 E541 Y542 W543	P536-S539 WeakPolarHBondContact O-CB 3.29Å; P536-S539 PolarHBondContact O-N 3.28Å; P536-S539 PolarHBondContact O-OG 3.16Å; I537-S539 VanDerWaalsContact C-N 3.29Å; S539-E541 PolarHBondContact O-N 3.06Å; S539-E541 VanDerWaalsContact O-N 3.07Å; S539-Y542 PolarHBondContact O-N 3.39Å; S539-Y542 PolarHBondContact OG-N 2.57Å; S539-W543 VanDerWaalsContact O-CB 3.31Å; S539-W543 WeakPolarHBondContact O-CB 3.27Å; S539-W543 PolarHBondContact O-N 3.35Å
540	P	98.4	Very high	98.5	Very high	59 Å²	59	34.3 Å²	34.3	38%	0.383	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.9	173	-22.6	30.8	0	0	0	113	F365 K544	F365-P540 HydrophobicContact CB-CG 4.41Å; F365-P540 HydrophobicContact CD1-CB 4.28Å; F365-P540 HydrophobicContact CD1-CG 3.63Å; F365-P540 HydrophobicContact CD2-CB 4.43Å; F365-P540 HydrophobicContact CD2-CG 4.48Å; F365-P540 HydrophobicContact CE1-CB 4.28Å; F365-P540 HydrophobicContact CE1-CG 3.96Å; F365-P540 HydrophobicContact CE2-CB 4.43Å; F365-P540 HydrophobicContact CG-CB 4.37Å; F365-P540 HydrophobicContact CG-CG 3.93Å; F365-P540 HydrophobicContact CZ-CB 4.36Å; P540-K544 WeakPolarHBondContact O-CE 3.38Å
541	E	98.4	Very high	98.5	Very high	127 Å²	127	40.9 Å²	40.9	59%	0.593	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-40.8	-178.6	-169.6	50.1	-131.1	0	0	112.3	S539 K544	S539-E541 PolarHBondContact O-N 3.06Å; S539-E541 VanDerWaalsContact O-N 3.07Å; E541-K544 VanDerWaalsContact CD-NZ 3.27Å; E541-K544 WeakPolarHBondContact O-CD 3.41Å; E541-K544 WeakPolarHBondContact O-CE 3.3Å; E541-K544 PolarHBondContact O-NZ 3.07Å; E541-K544 VanDerWaalsContact O-NZ 3.1Å; E541-K544 IonicContact OE1-NZ 3.57Å; E541-K544 PolarHBondContact OE1-NZ 3.42Å; E541-K544 IonicContact OE2-NZ 3.62Å; E541-K544 PolarHBondContact OE2-NZ 2.71Å
542	Y	98.7	Very high	98.5	Very high	108 Å²	108	42.8 Å²	42.8	42%	0.424	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-27.6	-175.5	-79.9	-127.9	0	0	0	113	P536 S539 K544 T547	P536-Y542 WeakPolarHBondContact O-CB 3.44Å; S539-Y542 PolarHBondContact O-N 3.39Å; S539-Y542 PolarHBondContact OG-N 2.57Å; Y542-K544 PolarHBondContact O-N 3.18Å; Y542-T547 HydrophobicContact CD1-CG2 4.34Å; Y542-T547 WeakPolarHBondContact O-CB 3.27Å; Y542-T547 WeakPolarHBondContact O-CG2 3.5Å; Y542-T547 PolarHBondContact O-OG1 2.85Å
543	W	98.6	Very high	98.5	Very high	23 Å²	23	42.7 Å²	42.7	9%	0.087	23%	0.233	C	C	.	.			trans	-77.9	65.6	-174.7	-165.9	-110.6	0	0	0	112.5	F359 P361 F365 I537 S539 F548 F554 V557	F359-W543 HydrophobicContact CD1-CH2 4.44Å; F359-W543 AromaticContact CE1-CH2 3.46Å; F359-W543 HydrophobicContact CE1-CH2 3.46Å; F359-W543 VanDerWaalsContact CE1-CH2 3.46Å; F359-W543 HydrophobicContact CE1-CZ2 4.18Å; F359-W543 HydrophobicContact CE1-CZ3 4.03Å; F359-W543 AromaticContact CZ-CH2 3.73Å; F359-W543 HydrophobicContact CZ-CH2 3.73Å; F359-W543 HydrophobicContact CZ-CZ2 4.4Å; F359-W543 AromaticContact CZ-CZ3 3.91Å; F359-W543 HydrophobicContact CZ-CZ3 3.91Å; P361-W543 HydrophobicContact CB-CD2 4.16Å; P361-W543 HydrophobicContact CB-CG 3.99Å; P361-W543 HydrophobicContact CG-CD2 3.67Å; P361-W543 HydrophobicContact CG-CE3 4.06Å; P361-W543 HydrophobicContact CG-CG 4.06Å; P361-W543 HydrophobicContact CG-CH2 4.33Å; P361-W543 HydrophobicContact CG-CZ2 3.97Å; P361-W543 HydrophobicContact CG-CZ3 4.37Å; F365-W543 HydrophobicContact CZ-CB 4Å; F365-W543 AromaticContact CZ-CD1 3.96Å; F365-W543 HydrophobicContact CZ-CG 4.31Å; I537-W543 VanDerWaalsContact O-CE3 3.32Å; S539-W543 VanDerWaalsContact O-CB 3.31Å; S539-W543 WeakPolarHBondContact O-CB 3.27Å; S539-W543 PolarHBondContact O-N 3.35Å; W543-F548 AromaticContact CE3-CE2 3.92Å; W543-F548 HydrophobicContact CE3-CE2 3.92Å; W543-F548 AromaticContact CE3-CZ 3.76Å; W543-F548 HydrophobicContact CE3-CZ 3.76Å; W543-F548 HydrophobicContact CZ3-CE2 4.08Å; W543-F548 AromaticContact CZ3-CZ 3.71Å; W543-F548 HydrophobicContact CZ3-CZ 3.71Å; W543-F554 AromaticContact CD2-CE2 3.83Å; W543-F554 HydrophobicContact CD2-CE2 3.83Å; W543-F554 HydrophobicContact CD2-CZ 4.21Å; W543-F554 AromaticContact CE2-CE2 3.54Å; W543-F554 AromaticContact CE2-CZ 3.63Å; W543-F554 HydrophobicContact CE3-CE2 4.07Å; W543-F554 HydrophobicContact CG-CE2 4.49Å; W543-F554 AromaticContact CH2-CE2 3.85Å; W543-F554 HydrophobicContact CH2-CE2 3.85Å; W543-F554 AromaticContact CZ2-CE2 3.58Å; W543-F554 HydrophobicContact CZ2-CE2 3.58Å; W543-F554 AromaticContact CZ2-CZ 3.84Å; W543-F554 HydrophobicContact CZ2-CZ 3.84Å; W543-F554 HydrophobicContact CZ3-CE2 4.1Å; W543-F554 AromaticContact NE1-CZ 3.66Å; W543-V557 HydrophobicContact CH2-CG1 3.64Å; W543-V557 HydrophobicContact CZ3-CG1 4.04Å
544	K	98.6	Very high	98.6	Very high	73 Å²	73	44.2 Å²	44.2	32%	0.317	24%	0.239	S	C	.	.	S	Bend	trans	-135.8	146	-177.2	-60	172.6	-170.2	160.1	0	108.4	P540 E541 Y542 S546 T547 F548	P540-K544 WeakPolarHBondContact O-CE 3.38Å; E541-K544 VanDerWaalsContact CD-NZ 3.27Å; E541-K544 WeakPolarHBondContact O-CD 3.41Å; E541-K544 WeakPolarHBondContact O-CE 3.3Å; E541-K544 PolarHBondContact O-NZ 3.07Å; E541-K544 VanDerWaalsContact O-NZ 3.1Å; E541-K544 IonicContact OE1-NZ 3.57Å; E541-K544 PolarHBondContact OE1-NZ 3.42Å; E541-K544 IonicContact OE2-NZ 3.62Å; E541-K544 PolarHBondContact OE2-NZ 2.71Å; Y542-K544 PolarHBondContact O-N 3.18Å; K544-S546 PolarHBondContact O-N 3.32Å; K544-S546 VanDerWaalsContact O-N 3.13Å; K544-T547 WeakPolarHBondContact O-CB 3.35Å; K544-T547 PolarHBondContact O-N 3.42Å; K544-T547 PolarHBondContact O-OG1 2.91Å; K544-F548 VanDerWaalsContact O-CD2 3.3Å; K544-F548 WeakPolarHBondContact O-CD2 3.25Å
545	P	98.7	Very high	98.6	Very high	59 Å²	59	47.1 Å²	47.1	38%	0.383	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-54	-36.6	179.1	-27.6	34.4	0	0	0	113.9	T547 F548 G549 G550 F554	P545-T547 VanDerWaalsContact C-N 3.25Å; P545-T547 PolarHBondContact O-N 3.07Å; P545-F548 CarbonylContact O-C 3.59Å; P545-F548 PolarHBondContact O-N 3.43Å; P545-G549 PolarHBondContact O-N 3.11Å; P545-G550 CarbonylContact O-C 3.25Å; P545-G550 VanDerWaalsContact O-CA 3.31Å; P545-G550 WeakPolarHBondContact O-CA 3.49Å; P545-G550 PolarHBondContact O-N 2.85Å; P545-F554 HydrophobicContact CB-CB 4.22Å; P545-F554 HydrophobicContact CB-CD1 4.39Å; P545-F554 HydrophobicContact CB-CG 4.41Å; P545-F554 HydrophobicContact CG-CD1 3.87Å; P545-F554 HydrophobicContact CG-CE1 4.29Å; P545-F554 HydrophobicContact CG-CG 4.32Å
546	S	98.5	Very high	98.6	Very high	91 Å²	91	47.3 Å²	47.3	64%	0.636	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-57	-34.5	178.7	52	0	0	0	0	114	K544 F548 G549	K544-S546 PolarHBondContact O-N 3.32Å; K544-S546 VanDerWaalsContact O-N 3.13Å; S546-F548 PolarHBondContact O-N 3.34Å; S546-G549 PolarHBondContact O-N 3Å
547	T	98.8	Very high	98.6	Very high	29 Å²	29	44.1 Å²	44.1	18%	0.178	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.1	177.7	-54.7	0	0	0	0	112.3	L332 Y542 K544 P545	L332-T547 HydrophobicContact CD1-CG2 3.82Å; Y542-T547 HydrophobicContact CD1-CG2 4.34Å; Y542-T547 WeakPolarHBondContact O-CB 3.27Å; Y542-T547 WeakPolarHBondContact O-CG2 3.5Å; Y542-T547 PolarHBondContact O-OG1 2.85Å; K544-T547 WeakPolarHBondContact O-CB 3.35Å; K544-T547 PolarHBondContact O-N 3.42Å; K544-T547 PolarHBondContact O-OG1 2.91Å; P545-T547 VanDerWaalsContact C-N 3.25Å; P545-T547 PolarHBondContact O-N 3.07Å
548	F	98.8	Very high	98.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-106.8	19.7	-177.8	-51.9	-79.5	0	0	0	111.8	T329 L332 I333 W543 K544 P545 S546 G553 F554 V557	T329-F548 VanDerWaalsContact CG2-C 3.46Å; L332-F548 HydrophobicContact CB-CD1 4.26Å; L332-F548 HydrophobicContact CB-CE1 4.26Å; I333-F548 HydrophobicContact CG1-CB 4.01Å; I333-F548 HydrophobicContact CG1-CD1 3.95Å; I333-F548 HydrophobicContact CG1-CG 4.47Å; W543-F548 AromaticContact CE3-CE2 3.92Å; W543-F548 HydrophobicContact CE3-CE2 3.92Å; W543-F548 AromaticContact CE3-CZ 3.76Å; W543-F548 HydrophobicContact CE3-CZ 3.76Å; W543-F548 HydrophobicContact CZ3-CE2 4.08Å; W543-F548 AromaticContact CZ3-CZ 3.71Å; W543-F548 HydrophobicContact CZ3-CZ 3.71Å; K544-F548 VanDerWaalsContact O-CD2 3.3Å; K544-F548 WeakPolarHBondContact O-CD2 3.25Å; P545-F548 CarbonylContact O-C 3.59Å; P545-F548 PolarHBondContact O-N 3.43Å; S546-F548 PolarHBondContact O-N 3.34Å; F548-G553 VanDerWaalsContact O-CA 3.3Å; F548-G553 WeakPolarHBondContact O-CA 3.47Å; F548-F554 HydrophobicContact CB-CB 4.37Å; F548-F554 HydrophobicContact CD2-CB 4.33Å; F548-F554 AromaticContact CD2-CD2 3.37Å; F548-F554 HydrophobicContact CD2-CD2 3.37Å; F548-F554 HydrophobicContact CD2-CE2 4.05Å; F548-F554 HydrophobicContact CD2-CG 4.25Å; F548-F554 AromaticContact CE2-CD2 3.59Å; F548-F554 HydrophobicContact CE2-CD2 3.59Å; F548-F554 AromaticContact CE2-CE2 3.8Å; F548-F554 HydrophobicContact CE2-CE2 3.8Å; F548-F554 HydrophobicContact CG-CD2 4.23Å; F548-V557 HydrophobicContact CD1-CG2 3.99Å; F548-V557 HydrophobicContact CE1-CG2 4.14Å
549	G	98.3	Very high	98.6	Very high	4 Å²	4	48.7 Å²	48.7	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	34.1	-178.4	0	0	0	0	0	114.3	H318 W321 P545 S546	H318-G549 PolarHBondContact CE1-O 2.83Å; H318-G549 PolarHBondContact NE2-O 3.29Å; W321-G549 VanDerWaalsContact CH2-CA 3.42Å; P545-G549 PolarHBondContact O-N 3.11Å; S546-G549 PolarHBondContact O-N 3Å
550	G	98.6	Very high	98.6	Very high	24 Å²	24	48.2 Å²	48.2	25%	0.247	26%	0.26	C	S	.	.	S	Bend	trans	95.8	-166.6	176.3	0	0	0	0	0	113.3	P545 V552 F554	P545-G550 CarbonylContact O-C 3.25Å; P545-G550 VanDerWaalsContact O-CA 3.31Å; P545-G550 WeakPolarHBondContact O-CA 3.49Å; P545-G550 PolarHBondContact O-N 2.85Å; G550-V552 VanDerWaalsContact C-N 3.28Å; G550-V552 PolarHBondContact O-N 3.08Å; G550-F554 WeakPolarHBondContact O-CB 3.09Å; G550-F554 PolarHBondContact O-N 3.05Å
551	K	98.5	Very high	98.6	Very high	145 Å²	145	47.7 Å²	47.7	63%	0.63	26%	0.256	S	S	*	.	H	α-helix	trans	-61.9	-36.7	-174.3	-174.1	176.7	-178.4	-65.7	0	112.2	F554 D555	K551-F554 PolarHBondContact O-N 2.86Å; K551-D555 WeakPolarHBondContact CG-OD2 3.07Å; K551-D555 IonicContact NZ-OD1 3.99Å; K551-D555 IonicContact NZ-OD2 2.67Å; K551-D555 PolarHBondContact NZ-OD2 3.18Å; K551-D555 WeakPolarHBondContact O-CB 3.03Å; K551-D555 PolarHBondContact O-N 2.69Å
552	V	98.6	Very high	98.6	Very high	51 Å²	51	41.7 Å²	41.7	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-59.7	-55.8	-178.2	177.6	0	0	0	0	111.4	V313 G550 F554 D555 I556	V313-V552 HydrophobicContact CG1-CG1 3.55Å; G550-V552 VanDerWaalsContact C-N 3.28Å; G550-V552 PolarHBondContact O-N 3.08Å; V552-F554 VanDerWaalsContact C-N 3.32Å; V552-F554 PolarHBondContact O-N 3.27Å; V552-D555 PolarHBondContact O-N 3.14Å; V552-I556 WeakPolarHBondContact O-CG1 3.06Å; V552-I556 PolarHBondContact O-N 2.78Å; V552-I556 VanDerWaalsContact O-N 3.08Å
553	G	98.6	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-32.5	179	0	0	0	0	0	113.1	F548 I556 V557	F548-G553 VanDerWaalsContact O-CA 3.3Å; F548-G553 WeakPolarHBondContact O-CA 3.47Å; G553-I556 WeakPolarHBondContact O-CB 3.04Å; G553-I556 PolarHBondContact O-N 3.03Å; G553-V557 PolarHBondContact O-N 3.31Å
554	F	98.8	Very high	98.6	Very high	34 Å²	34	45.1 Å²	45.1	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-37.1	173.9	-165.7	-128.3	0	0	0	112.7	W543 P545 F548 G550 K551 V552 V557 N558	W543-F554 AromaticContact CD2-CE2 3.83Å; W543-F554 HydrophobicContact CD2-CE2 3.83Å; W543-F554 HydrophobicContact CD2-CZ 4.21Å; W543-F554 AromaticContact CE2-CE2 3.54Å; W543-F554 AromaticContact CE2-CZ 3.63Å; W543-F554 HydrophobicContact CE3-CE2 4.07Å; W543-F554 HydrophobicContact CG-CE2 4.49Å; W543-F554 AromaticContact CH2-CE2 3.85Å; W543-F554 HydrophobicContact CH2-CE2 3.85Å; W543-F554 AromaticContact CZ2-CE2 3.58Å; W543-F554 HydrophobicContact CZ2-CE2 3.58Å; W543-F554 AromaticContact CZ2-CZ 3.84Å; W543-F554 HydrophobicContact CZ2-CZ 3.84Å; W543-F554 HydrophobicContact CZ3-CE2 4.1Å; W543-F554 AromaticContact NE1-CZ 3.66Å; P545-F554 HydrophobicContact CB-CB 4.22Å; P545-F554 HydrophobicContact CB-CD1 4.39Å; P545-F554 HydrophobicContact CB-CG 4.41Å; P545-F554 HydrophobicContact CG-CD1 3.87Å; P545-F554 HydrophobicContact CG-CE1 4.29Å; P545-F554 HydrophobicContact CG-CG 4.32Å; F548-F554 HydrophobicContact CB-CB 4.37Å; F548-F554 HydrophobicContact CD2-CB 4.33Å; F548-F554 AromaticContact CD2-CD2 3.37Å; F548-F554 HydrophobicContact CD2-CD2 3.37Å; F548-F554 HydrophobicContact CD2-CE2 4.05Å; F548-F554 HydrophobicContact CD2-CG 4.25Å; F548-F554 AromaticContact CE2-CD2 3.59Å; F548-F554 HydrophobicContact CE2-CD2 3.59Å; F548-F554 AromaticContact CE2-CE2 3.8Å; F548-F554 HydrophobicContact CE2-CE2 3.8Å; F548-F554 HydrophobicContact CG-CD2 4.23Å; G550-F554 WeakPolarHBondContact O-CB 3.09Å; G550-F554 PolarHBondContact O-N 3.05Å; K551-F554 PolarHBondContact O-N 2.86Å; V552-F554 VanDerWaalsContact C-N 3.32Å; V552-F554 PolarHBondContact O-N 3.27Å; F554-V557 PolarHBondContact O-N 3.25Å; F554-N558 VanDerWaalsContact CD1-ND2 3.31Å; F554-N558 WeakPolarHBondContact CD1-ND2 3.46Å; F554-N558 VanDerWaalsContact CE1-ND2 3.25Å; F554-N558 WeakPolarHBondContact CE1-ND2 3.35Å; F554-N558 WeakPolarHBondContact CE2-ND2 3.35Å; F554-N558 WeakPolarHBondContact CG-ND2 3.49Å; F554-N558 WeakPolarHBondContact CZ-ND2 3.48Å; F554-N558 WeakPolarHBondContact O-CB 3.47Å; F554-N558 PolarHBondContact O-N 3.35Å; F554-N558 PolarHBondContact O-ND2 3.47Å
555	D	98.8	Very high	98.6	Very high	64 Å²	64	41.8 Å²	41.8	34%	0.342	23%	0.231	S	C	.	.	H	α-helix	trans	-70.5	-31.6	175.7	-72.7	-13.9	0	0	0	111.7	K551 V552 N558 S559	K551-D555 WeakPolarHBondContact CG-OD2 3.07Å; K551-D555 IonicContact NZ-OD1 3.99Å; K551-D555 IonicContact NZ-OD2 2.67Å; K551-D555 PolarHBondContact NZ-OD2 3.18Å; K551-D555 WeakPolarHBondContact O-CB 3.03Å; K551-D555 PolarHBondContact O-N 2.69Å; V552-D555 PolarHBondContact O-N 3.14Å; D555-N558 PolarHBondContact O-N 2.97Å; D555-S559 VanDerWaalsContact O-CB 3.27Å; D555-S559 WeakPolarHBondContact O-CB 3.29Å; D555-S559 PolarHBondContact O-N 3.44Å; D555-S559 PolarHBondContact O-OG 2.96Å
556	I	98.8	Very high	98.6	Very high	19 Å²	19	39 Å²	39	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-53.3	170.6	-67.3	171.2	0	0	0	109.1	V310 V313 I333 E337 V552 G553 N558 S559 A560	V310-I556 HydrophobicContact CG1-CD1 4.48Å; V310-I556 HydrophobicContact CG2-CD1 4.37Å; V310-I556 HydrophobicContact CG2-CG2 4.44Å; V313-I556 HydrophobicContact CG1-CD1 4.22Å; I333-I556 HydrophobicContact CG2-CB 4.15Å; I333-I556 HydrophobicContact CG2-CG2 3.62Å; E337-I556 HydrophobicContact CG-CG2 4.1Å; E337-I556 WeakPolarHBondContact OE1-CG2 3.04Å; V552-I556 WeakPolarHBondContact O-CG1 3.06Å; V552-I556 PolarHBondContact O-N 2.78Å; V552-I556 VanDerWaalsContact O-N 3.08Å; G553-I556 WeakPolarHBondContact O-CB 3.04Å; G553-I556 PolarHBondContact O-N 3.03Å; I556-N558 PolarHBondContact O-N 3.4Å; I556-S559 CarbonylContact O-C 3.36Å; I556-S559 PolarHBondContact O-N 2.02Å; I556-A560 PolarHBondContact O-N 2.59Å
557	V	98.7	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-50.6	176.4	175.6	0	0	0	0	111.4	I333 R340 F359 W543 F548 G553 F554 S559 A560	I333-V557 HydrophobicContact CB-CG2 4.24Å; I333-V557 HydrophobicContact CG1-CG2 4.38Å; I333-V557 HydrophobicContact CG2-CG2 3.97Å; R340-V557 WeakPolarHBondContact CD-O 3.49Å; F359-V557 HydrophobicContact CE1-CG1 4.26Å; W543-V557 HydrophobicContact CH2-CG1 3.64Å; W543-V557 HydrophobicContact CZ3-CG1 4.04Å; F548-V557 HydrophobicContact CD1-CG2 3.99Å; F548-V557 HydrophobicContact CE1-CG2 4.14Å; G553-V557 PolarHBondContact O-N 3.31Å; F554-V557 PolarHBondContact O-N 3.25Å; V557-S559 PolarHBondContact O-N 3.16Å; V557-A560 PolarHBondContact O-N 3.33Å
558	N	98.3	Very high	98.6	Very high	50 Å²	50	39 Å²	39	27%	0.267	21%	0.206	S	C	.	.	H	α-helix	trans	-73.9	-5.9	-174.9	-73	-58	0	0	0	114.8	R340 F554 D555 I556	R340-N558 PolarHBondContact NE-O 3.2Å; R340-N558 PolarHBondContact NH1-O 3.1Å; R340-N558 PolarHBondContact NH2-O 3.12Å; F554-N558 VanDerWaalsContact CD1-ND2 3.31Å; F554-N558 WeakPolarHBondContact CD1-ND2 3.46Å; F554-N558 VanDerWaalsContact CE1-ND2 3.25Å; F554-N558 WeakPolarHBondContact CE1-ND2 3.35Å; F554-N558 WeakPolarHBondContact CE2-ND2 3.35Å; F554-N558 WeakPolarHBondContact CG-ND2 3.49Å; F554-N558 WeakPolarHBondContact CZ-ND2 3.48Å; F554-N558 WeakPolarHBondContact O-CB 3.47Å; F554-N558 PolarHBondContact O-N 3.35Å; F554-N558 PolarHBondContact O-ND2 3.47Å; D555-N558 PolarHBondContact O-N 2.97Å; I556-N558 PolarHBondContact O-N 3.4Å
559	S	98.3	Very high	98.6	Very high	50 Å²	50	39.6 Å²	39.6	35%	0.35	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	14.4	177.5	70	0	0	0	0	112.8	D555 I556 V557 K564	D555-S559 VanDerWaalsContact O-CB 3.27Å; D555-S559 WeakPolarHBondContact O-CB 3.29Å; D555-S559 PolarHBondContact O-N 3.44Å; D555-S559 PolarHBondContact O-OG 2.96Å; I556-S559 CarbonylContact O-C 3.36Å; I556-S559 PolarHBondContact O-N 2.02Å; V557-S559 PolarHBondContact O-N 3.16Å; S559-K564 WeakPolarHBondContact O-CD 3.09Å; S559-K564 PolarHBondContact O-NZ 3.2Å; S559-K564 PolarHBondContact OG-NZ 3.33Å
560	A	98.8	Very high	98.5	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	21%	0.214	C	C	.	.			trans	-64.9	136.6	177.9	0	0	0	0	0	110.5	E337 R340 I341 I556 V557	E337-A560 HydrophobicContact CB-CB 3.71Å; E337-A560 HydrophobicContact CG-CB 3.7Å; R340-A560 HydrophobicContact CB-CB 4.45Å; R340-A560 PolarHBondContact NE-O 2.9Å; I341-A560 HydrophobicContact CD1-CB 4.46Å; I341-A560 HydrophobicContact CG1-CB 4.32Å; I556-A560 PolarHBondContact O-N 2.59Å; V557-A560 PolarHBondContact O-N 3.33Å
561	T	98.8	Very high	98.3	Very high	47 Å²	47	47 Å²	47	29%	0.288	23%	0.231	S	C	.	.			trans	-145.8	154.4	172.5	58.5	0	0	0	0	108.6	E345 K563 K564 L565	E345-T561 WeakPolarHBondContact OE2-CA 3.48Å; T561-K563 PolarHBondContact O-N 2.98Å; T561-K564 PolarHBondContact O-N 2.03Å; T561-K564 VanDerWaalsContact O-N 3.11Å; T561-K564 WeakPolarHBondContact OG1-CB 3.46Å; T561-K564 WeakPolarHBondContact OG1-CG 3.12Å; T561-K564 PolarHBondContact OG1-N 2.85Å; T561-K564 VanDerWaalsContact OG1-N 3.08Å; T561-L565 PolarHBondContact O-N 3.49Å
562	L	98.8	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-54.9	-41	173.6	-178.2	69.5	0	0	0	110.8	M195 Y299 I341 E345 K564 L565 V566 V576 F578	M195-L562 HydrophobicContact CE-CD1 4.21Å; M195-L562 HydrophobicContact CG-CD2 4.45Å; Y299-L562 HydrophobicContact CE1-CD1 4.33Å; I341-L562 HydrophobicContact CG2-CB 4.33Å; E345-L562 PolarHBondContact OE1-N 2.72Å; E345-L562 PolarHBondContact OE2-N 2.71Å; L562-K564 PolarHBondContact O-N 3.33Å; L562-L565 WeakPolarHBondContact O-CB 3.37Å; L562-L565 PolarHBondContact O-N 3.25Å; L562-V566 PolarHBondContact O-N 3.37Å; L562-V576 HydrophobicContact CD2-CG2 3.74Å; L562-V576 HydrophobicContact CG-CG2 3.73Å; L562-F578 HydrophobicContact CD1-CE1 4.12Å; L562-F578 HydrophobicContact CD1-CZ 3.95Å; L562-F578 HydrophobicContact CD2-CD1 3.76Å; L562-F578 HydrophobicContact CD2-CD2 4.26Å; L562-F578 HydrophobicContact CD2-CE1 3.51Å; L562-F578 HydrophobicContact CD2-CE2 4.03Å; L562-F578 HydrophobicContact CD2-CG 4.14Å; L562-F578 HydrophobicContact CD2-CZ 3.67Å; L562-F578 HydrophobicContact CG-CE1 4.42Å; L562-F578 HydrophobicContact CG-CZ 4.27Å
563	K	98.7	Very high	98.1	Very high	123 Å²	123	45.5 Å²	45.5	54%	0.535	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-44.7	177.2	-175.1	174	-178.1	174.7	0	112.4	T561 V566 C567 V576	T561-K563 PolarHBondContact O-N 2.98Å; K563-V566 PolarHBondContact O-N 2.05Å; K563-C567 VanDerWaalsContact O-CB 3.27Å; K563-C567 WeakPolarHBondContact O-CB 3.44Å; K563-C567 PolarHBondContact O-N 3.39Å; K563-C567 PolarHBondContact O-SG 3.45Å; K563-V576 HydrophobicContact CB-CG1 4.02Å; K563-V576 HydrophobicContact CG-CG1 3.94Å
564	K	98.7	Very high	98	Very high	81 Å²	81	46.4 Å²	46.4	35%	0.352	24%	0.243	S	C	.	.	H	α-helix	trans	-67.7	-41.7	176.8	-75.7	175.1	67.4	-171.1	0	111.6	S559 T561 L562 V566 C567 L568	S559-K564 WeakPolarHBondContact O-CD 3.09Å; S559-K564 PolarHBondContact O-NZ 3.2Å; S559-K564 PolarHBondContact OG-NZ 3.33Å; T561-K564 PolarHBondContact O-N 2.03Å; T561-K564 VanDerWaalsContact O-N 3.11Å; T561-K564 WeakPolarHBondContact OG1-CB 3.46Å; T561-K564 WeakPolarHBondContact OG1-CG 3.12Å; T561-K564 PolarHBondContact OG1-N 2.85Å; T561-K564 VanDerWaalsContact OG1-N 3.08Å; L562-K564 PolarHBondContact O-N 3.33Å; K564-V566 VanDerWaalsContact C-N 3.26Å; K564-V566 PolarHBondContact O-N 3.11Å; K564-C567 PolarHBondContact O-N 3.07Å; K564-L568 HydrophobicContact CB-CD1 4.07Å; K564-L568 HydrophobicContact CB-CG 4.48Å; K564-L568 HydrophobicContact CG-CD1 4.5Å; K564-L568 WeakPolarHBondContact O-CB 3.18Å; K564-L568 VanDerWaalsContact O-CG 3.3Å; K564-L568 WeakPolarHBondContact O-CG 3.49Å; K564-L568 PolarHBondContact O-N 3.25Å
565	L	98.8	Very high	98	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-54.4	-43.9	175.3	173.9	63.9	0	0	0	111.4	W303 E306 I341 T561 L562 N569	W303-L565 HydrophobicContact CD2-CD1 4.19Å; W303-L565 HydrophobicContact CD2-CD2 4.24Å; W303-L565 HydrophobicContact CE3-CD1 3.84Å; W303-L565 HydrophobicContact CE3-CD2 4.46Å; W303-L565 HydrophobicContact CH2-CD1 4.26Å; W303-L565 HydrophobicContact CH2-CD2 3.82Å; W303-L565 HydrophobicContact CZ2-CD2 3.53Å; W303-L565 HydrophobicContact CZ3-CD1 3.87Å; W303-L565 HydrophobicContact CZ3-CD2 4.26Å; E306-L565 HydrophobicContact CB-CD1 3.7Å; E306-L565 HydrophobicContact CG-CD1 3.9Å; I341-L565 HydrophobicContact CD1-CB 4.37Å; I341-L565 HydrophobicContact CD1-CD2 4.29Å; T561-L565 PolarHBondContact O-N 3.49Å; L562-L565 WeakPolarHBondContact O-CB 3.37Å; L562-L565 PolarHBondContact O-N 3.25Å; L565-N569 WeakPolarHBondContact O-CB 3.39Å; L565-N569 PolarHBondContact O-ND2 3.38Å
566	V	98.8	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.8	-55.7	177.3	172.1	0	0	0	0	111.7	M195 L302 V421 L562 K563 K564 L568 N569 S570 P574 V576	M195-V566 HydrophobicContact CE-CG2 4.03Å; L302-V566 HydrophobicContact CD1-CG2 3.94Å; L302-V566 HydrophobicContact CD2-CG2 4.27Å; V421-V566 HydrophobicContact CB-CG1 4.45Å; V421-V566 HydrophobicContact CG1-CG1 4Å; V421-V566 HydrophobicContact CG1-CG2 4.29Å; V421-V566 HydrophobicContact CG2-CG1 4.16Å; V421-V566 HydrophobicContact CG2-CG2 4.28Å; L562-V566 PolarHBondContact O-N 3.37Å; K563-V566 PolarHBondContact O-N 2.05Å; K564-V566 VanDerWaalsContact C-N 3.26Å; K564-V566 PolarHBondContact O-N 3.11Å; V566-L568 PolarHBondContact O-N 2.92Å; V566-N569 CarbonylContact O-C 3.58Å; V566-N569 PolarHBondContact O-N 2.03Å; V566-N569 VanDerWaalsContact O-N 3.08Å; V566-S570 WeakPolarHBondContact O-CB 3.29Å; V566-S570 PolarHBondContact O-N 2.69Å; V566-S570 VanDerWaalsContact O-N 3.17Å; V566-S570 PolarHBondContact O-OG 3Å; V566-P574 HydrophobicContact CG1-CG 3.87Å; V566-V576 HydrophobicContact CB-CG1 4.39Å; V566-V576 HydrophobicContact CB-CG2 4.33Å; V566-V576 HydrophobicContact CG2-CG2 3.8Å
567	C	98.5	Very high	97.9	Very high	28 Å²	28	46.1 Å²	46.1	19%	0.189	24%	0.242	C	C	.	.	H	α-helix	trans	-74.1	-24.4	-166.2	-62.6	0	0	0	0	113.8	K563 K564 N569 C573	K563-C567 VanDerWaalsContact O-CB 3.27Å; K563-C567 WeakPolarHBondContact O-CB 3.44Å; K563-C567 PolarHBondContact O-N 3.39Å; K563-C567 PolarHBondContact O-SG 3.45Å; K564-C567 PolarHBondContact O-N 3.07Å; C567-N569 VanDerWaalsContact C-N 3.28Å; C567-C573 HydrophobicContact CB-CB 3.63Å; C567-C573 WeakPolarHBondContact CB-SG 3.43Å; C567-C573 WeakPolarHBondContact SG-CA 2.99Å; C567-C573 WeakPolarHBondContact SG-CB 3.31Å; C567-C573 CovalentContact SG-SG 2.03Å; C567-C573 PolarHBondContact SG-SG 3.19Å
568	L	98.5	Very high	97.9	Very high	92 Å²	92	46.6 Å²	46.6	48%	0.482	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.2	172.3	-62.8	176.8	0	0	0	112.9	K564 V566	K564-L568 HydrophobicContact CB-CD1 4.07Å; K564-L568 HydrophobicContact CB-CG 4.48Å; K564-L568 HydrophobicContact CG-CD1 4.5Å; K564-L568 WeakPolarHBondContact O-CB 3.18Å; K564-L568 VanDerWaalsContact O-CG 3.3Å; K564-L568 WeakPolarHBondContact O-CG 3.49Å; K564-L568 PolarHBondContact O-N 3.25Å; V566-L568 PolarHBondContact O-N 2.92Å
569	N	98.4	Very high	97.8	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	25%	0.246	C	C	.	.	S	Bend	trans	-119.2	17.7	-176.9	-65.8	-66.3	0	0	0	113	R305 E306 L565 V566 C567	R305-N569 HydrophobicContact CB-CB 3.75Å; R305-N569 WeakPolarHBondContact CB-OD1 3.35Å; R305-N569 WeakPolarHBondContact CD-O 3.44Å; R305-N569 PolarHBondContact NH1-O 3.2Å; R305-N569 PolarHBondContact O-OD1 3.41Å; E306-N569 WeakPolarHBondContact CA-OD1 3.44Å; E306-N569 PolarHBondContact N-OD1 2.58Å; E306-N569 PolarHBondContact OE2-ND2 3.08Å; L565-N569 WeakPolarHBondContact O-CB 3.39Å; L565-N569 PolarHBondContact O-ND2 3.38Å; V566-N569 CarbonylContact O-C 3.58Å; V566-N569 PolarHBondContact O-N 2.03Å; V566-N569 VanDerWaalsContact O-N 3.08Å; C567-N569 VanDerWaalsContact C-N 3.28Å
570	S	96	Very high	97.8	Very high	19 Å²	19	45.9 Å²	45.9	13%	0.133	24%	0.241	C	C	.	.	S	Bend	trans	-133.6	156.3	179.9	-56.5	0	0	0	0	109.7	V566 T572	V566-S570 WeakPolarHBondContact O-CB 3.29Å; V566-S570 PolarHBondContact O-N 2.69Å; V566-S570 VanDerWaalsContact O-N 3.17Å; V566-S570 PolarHBondContact O-OG 3Å; S570-T572 VanDerWaalsContact C-N 3.34Å; S570-T572 WeakPolarHBondContact CB-O 3.48Å
571	R	93.6	Very high	97.5	Very high	163 Å²	163	47.9 Å²	47.9	62%	0.615	25%	0.254	S	S	*	.	S	Bend	trans	-69.7	-35.6	177.6	-67.6	-172.6	-179.6	162.1	12.6	111.9	D256 G257 E258 E418	D256-R571 PolarHBondContact O-NH2 3.35Å; G257-R571 VanDerWaalsContact C-NH2 3.33Å; G257-R571 PolarHBondContact O-NH2 2.84Å; E258-R571 IonicContact OE1-CZ 3Å; E258-R571 IonicContact OE1-NE 2.6Å; E258-R571 PolarHBondContact OE1-NE 3.19Å; E258-R571 IonicContact OE1-NH2 2.67Å; E258-R571 PolarHBondContact OE1-NH2 2.92Å; E418-R571 PolarHBondContact OE1-N 3.29Å
572	T	95.3	Very high	96.7	Very high	92 Å²	92	50.1 Å²	50.1	56%	0.564	28%	0.277	S	S	*	.	S	Bend	trans	-125.6	161.2	175.3	64.6	0	0	0	0	109.7	S570 P574	S570-T572 VanDerWaalsContact C-N 3.34Å; S570-T572 WeakPolarHBondContact CB-O 3.48Å; T572-P574 WeakPolarHBondContact O-CD 3.43Å
573	C	97.6	Very high	95.1	Very high	73 Å²	73	58.9 Å²	58.9	49%	0.493	32%	0.318	S	S	.	.			trans	-100.5	96.2	-179.8	-174.5	0	0	0	0	109.4	C567	C567-C573 HydrophobicContact CB-CB 3.63Å; C567-C573 WeakPolarHBondContact CB-SG 3.43Å; C567-C573 WeakPolarHBondContact SG-CA 2.99Å; C567-C573 WeakPolarHBondContact SG-CB 3.31Å; C567-C573 CovalentContact SG-SG 2.03Å; C567-C573 PolarHBondContact SG-SG 3.19Å
574	P	97.4	Very high	92.2	Very high	20 Å²	20	62.1 Å²	62.1	13%	0.13	34%	0.335	C	S	.	.			trans	-69.8	173.6	178.2	31.1	-37.5	0	0	0	111.9	E418 V421 D422 V566 T572 V576	E418-P574 HydrophobicContact CB-CG 4.49Å; V421-P574 HydrophobicContact CB-CG 3.94Å; V421-P574 HydrophobicContact CG1-CG 3.79Å; D422-P574 HydrophobicContact CB-CB 3.98Å; V566-P574 HydrophobicContact CG1-CG 3.87Å; T572-P574 WeakPolarHBondContact O-CD 3.43Å; P574-V576 PolarHBondContact O-N 2.87Å
575	Y	97.8	Very high	88.9	Confident	70 Å²	70	67.3 Å²	67.3	28%	0.275	36%	0.358	S	S	.	.			trans	-64.4	125.5	164.8	177.3	-100.3	0	0	0	109.1	D422 S425 R426 A577 S579 P581	D422-Y575 WeakPolarHBondContact OD1-CB 3.48Å; S425-Y575 VanDerWaalsContact CB-CD1 3.5Å; S425-Y575 WeakPolarHBondContact CB-O 3.22Å; S425-Y575 PolarHBondContact OG-O 3.02Å; R426-Y575 HydrophobicContact CG-CD1 4.24Å; Y575-A577 HydrophobicContact CE1-CB 4.15Å; Y575-A577 HydrophobicContact CE2-CB 4.48Å; Y575-A577 WeakPolarHBondContact OH-CB 3.05Å; Y575-S579 PolarHBondContact OH-O 3.29Å; Y575-P581 HydrophobicContact CD1-CG 4.04Å; Y575-P581 HydrophobicContact CE1-CG 3.56Å; Y575-P581 HydrophobicContact CE2-CB 4.48Å; Y575-P581 HydrophobicContact CE2-CG 4.2Å; Y575-P581 WeakPolarHBondContact OH-CA 3.45Å
576	V	98.2	Very high	85.6	Confident	19 Å²	19	73 Å²	73	12%	0.115	40%	0.395	C	S	.	.			trans	-141.4	123	-179.6	57.4	0	0	0	0	109.8	M195 V421 L562 K563 V566 P574	M195-V576 HydrophobicContact CE-CG2 4.28Å; V421-V576 HydrophobicContact CG1-CB 3.76Å; V421-V576 HydrophobicContact CG1-CG2 3.91Å; L562-V576 HydrophobicContact CD2-CG2 3.74Å; L562-V576 HydrophobicContact CG-CG2 3.73Å; K563-V576 HydrophobicContact CB-CG1 4.02Å; K563-V576 HydrophobicContact CG-CG1 3.94Å; V566-V576 HydrophobicContact CB-CG1 4.39Å; V566-V576 HydrophobicContact CB-CG2 4.33Å; V566-V576 HydrophobicContact CG2-CG2 3.8Å; P574-V576 PolarHBondContact O-N 2.87Å
577	A	98	Very high	82.5	Confident	22 Å²	22	79.3 Å²	79.3	18%	0.182	43%	0.433	C	S	.	.			trans	-162	168.9	176	0	0	0	0	0	109.1	N193 Y575 S579	N193-A577 PolarHBondContact ND2-O 3.17Å; N193-A577 PolarHBondContact OD1-O 3.33Å; Y575-A577 HydrophobicContact CE1-CB 4.15Å; Y575-A577 HydrophobicContact CE2-CB 4.48Å; Y575-A577 WeakPolarHBondContact OH-CB 3.05Å; A577-S579 WeakPolarHBondContact CB-O 3.14Å
578	F	98.6	Very high	79.2	Confident	10 Å²	10	89.2 Å²	89.2	4%	0.044	47%	0.467	C	S	.	.	S	Bend	trans	-88.8	-8.5	167.3	-70.1	-41.1	0	0	0	113.7	S192 N193 F196 F199 I341 E345 Y346 H349 L562	S192-F578 WeakPolarHBondContact CA-O 3.45Å; N193-F578 PolarHBondContact N-O 2.8Å; N193-F578 VanDerWaalsContact N-O 3.16Å; N193-F578 VanDerWaalsContact ND2-C 3.31Å; N193-F578 PolarHBondContact OD1-O 3.37Å; F196-F578 HydrophobicContact CB-CB 3.99Å; F196-F578 HydrophobicContact CB-CD1 3.79Å; F196-F578 HydrophobicContact CB-CG 4.19Å; F196-F578 HydrophobicContact CD2-CB 4.04Å; F196-F578 HydrophobicContact CD2-CD1 4.27Å; F196-F578 HydrophobicContact CD2-CG 4.1Å; F196-F578 HydrophobicContact CG-CB 4.49Å; F199-F578 HydrophobicContact CB-CE1 3.64Å; F199-F578 HydrophobicContact CB-CZ 4.07Å; F199-F578 HydrophobicContact CD1-CE1 4.28Å; F199-F578 AromaticContact CD1-CZ 3.87Å; F199-F578 HydrophobicContact CD1-CZ 3.87Å; F199-F578 AromaticContact CD2-CE1 3.99Å; F199-F578 HydrophobicContact CD2-CE1 3.99Å; F199-F578 AromaticContact CD2-CZ 3.71Å; F199-F578 HydrophobicContact CD2-CZ 3.71Å; F199-F578 HydrophobicContact CE1-CZ 4.2Å; F199-F578 HydrophobicContact CE2-CZ 4.06Å; F199-F578 AromaticContact CG-CE1 3.72Å; F199-F578 HydrophobicContact CG-CE1 3.72Å; F199-F578 AromaticContact CG-CZ 3.61Å; F199-F578 HydrophobicContact CG-CZ 3.61Å; F199-F578 HydrophobicContact CZ-CZ 4.29Å; I341-F578 HydrophobicContact CG2-CE2 4.34Å; I341-F578 HydrophobicContact CG2-CZ 4.4Å; E345-F578 HydrophobicContact CB-CD2 4.04Å; E345-F578 HydrophobicContact CB-CE2 3.9Å; Y346-F578 HydrophobicContact CD2-CE2 4.43Å; Y346-F578 HydrophobicContact CD2-CZ 4.48Å; H349-F578 HydrophobicContact CB-CB 4.2Å; H349-F578 PolarHBondContact NE2-O 3.49Å; L562-F578 HydrophobicContact CD1-CE1 4.12Å; L562-F578 HydrophobicContact CD1-CZ 3.95Å; L562-F578 HydrophobicContact CD2-CD1 3.76Å; L562-F578 HydrophobicContact CD2-CD2 4.26Å; L562-F578 HydrophobicContact CD2-CE1 3.51Å; L562-F578 HydrophobicContact CD2-CE2 4.03Å; L562-F578 HydrophobicContact CD2-CG 4.14Å; L562-F578 HydrophobicContact CD2-CZ 3.67Å; L562-F578 HydrophobicContact CG-CE1 4.42Å; L562-F578 HydrophobicContact CG-CZ 4.27Å
579	S	97.3	Very high	76.1	Confident	44 Å²	44	94.1 Å²	94.1	31%	0.308	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-112.4	148.6	172.8	55.5	0	0	0	0	112	G191 N193 Y575 A577	G191-S579 CarbonylContact O-C 3.47Å; G191-S579 WeakPolarHBondContact O-CA 3.32Å; N193-S579 VanDerWaalsContact ND2-C 3.32Å; N193-S579 PolarHBondContact ND2-N 3.46Å; N193-S579 PolarHBondContact ND2-O 3.01Å; N193-S579 VanDerWaalsContact ND2-O 3.17Å; Y575-S579 PolarHBondContact OH-O 3.29Å; A577-S579 WeakPolarHBondContact CB-O 3.14Å
580	V	96.9	Very high	73	Confident	41 Å²	41	102 Å²	102	25%	0.248	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-60.3	150.1	169.2	-62.1	0	0	0	0	110.3	G191 N193 R426 V428 A582	G191-V580 PolarHBondContact O-N 2.85Å; N193-V580 HydrophobicContact CB-CG1 3.88Å; R426-V580 WeakPolarHBondContact O-CG1 3.33Å; V428-V580 HydrophobicContact CB-CG1 3.96Å; V428-V580 HydrophobicContact CG2-CG1 4.4Å; V580-A582 PolarHBondContact O-N 2.83Å
581	P	93.8	Very high	70	Confident	44 Å²	44	106.6 Å²	106.6	29%	0.286	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-55.1	138.8	175.3	-18.8	27.5	0	0	0	110.6	R426 Y575 E583	R426-P581 HydrophobicContact CG-CG 4.17Å; Y575-P581 HydrophobicContact CD1-CG 4.04Å; Y575-P581 HydrophobicContact CE1-CG 3.56Å; Y575-P581 HydrophobicContact CE2-CB 4.48Å; Y575-P581 HydrophobicContact CE2-CG 4.2Å; Y575-P581 WeakPolarHBondContact OH-CA 3.45Å; P581-E583 PolarHBondContact O-N 2.91Å
582	A	80.6	Confident	67.3	Low	95 Å²	95	103.9 Å²	103.9	79%	0.785	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-59.1	132	168.4	0	0	0	0	0	108.7	V580 E584	V580-A582 PolarHBondContact O-N 2.83Å; A582-E584 PolarHBondContact O-N 2.82Å; A582-E584 VanDerWaalsContact O-N 3.17Å
583	E	65.5	Low	65	Low	185 Å²	185	106.4 Å²	106.4	86%	0.864	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-54.9	124.3	170.7	-71.7	-175.9	167.3	0	0	108.4	P581 K585	P581-E583 PolarHBondContact O-N 2.91Å; E583-K585 PolarHBondContact O-N 2.72Å
584	E	37.2	Very low	62.2	Low	191 Å²	191	111.1 Å²	111.1	89%	0.893	59%	0.586	S	S	*	*			trans	-58.2	103.7	166.7	-78.1	-176.6	171.2	0	0	106.9	A582 P586	A582-E584 PolarHBondContact O-N 2.82Å; A582-E584 VanDerWaalsContact O-N 3.17Å; E584-P586 VanDerWaalsContact O-N 3.12Å
585	K	30.2	Very low	59.2	Low	189 Å²	189	122.1 Å²	122.1	82%	0.822	64%	0.643	S	S	*	*			trans	-52.5	124.9	170.5	-74.8	-178.7	178.4	176.9	0	106.5	E583 V587	E583-K585 PolarHBondContact O-N 2.72Å; K585-V587 PolarHBondContact O-N 2.76Å
586	P	30.5	Very low	57.3	Low	122 Å²	122	124.8 Å²	124.8	79%	0.792	66%	0.661	S	S	*	*			trans	-56.2	121.6	176.1	21.2	-29.8	0	0	0	107.1	E584 R588	E584-P586 VanDerWaalsContact O-N 3.12Å; P586-R588 PolarHBondContact O-N 2.73Å
587	V	31.9	Very low	55.1	Low	134 Å²	134	130.3 Å²	130.3	81%	0.812	69%	0.69	S	S	*	*			trans	-51.3	109	170.2	177	0	0	0	0	105.5	K585 K589	K585-V587 PolarHBondContact O-N 2.76Å; V587-K589 VanDerWaalsContact C-N 3.31Å; V587-K589 PolarHBondContact O-N 2.76Å
588	R	30.5	Very low	52.7	Low	235 Å²	235	136.3 Å²	136.3	89%	0.887	72%	0.718	S	S	*	*			trans	-55.9	104.3	168.3	-94.4	-178.2	172.5	179.7	-2.3	105.2	P586 E590	P586-R588 PolarHBondContact O-N 2.73Å; R588-E590 VanDerWaalsContact C-N 3.35Å; R588-E590 PolarHBondContact O-N 2.9Å
589	K	32.9	Very low	50	Low	196 Å²	196	143.8 Å²	143.8	85%	0.852	76%	0.758	S	S	*	*			trans	-59.2	108	159.1	-79.4	-176.3	175.2	-179.5	0	105.1	V587	V587-K589 VanDerWaalsContact C-N 3.31Å; V587-K589 PolarHBondContact O-N 2.76Å
590	E	33	Very low	47.1	Very low	178 Å²	178	150 Å²	150	83%	0.832	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-53	131	162.7	-73.2	-178.9	158.6	0	0	107.2	R588 S592	R588-E590 VanDerWaalsContact C-N 3.35Å; R588-E590 PolarHBondContact O-N 2.9Å; E590-S592 PolarHBondContact O-N 2.82Å
591	P	34	Very low	43.7	Very low	115 Å²	115	157.3 Å²	157.3	75%	0.747	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-62.7	125.9	173.1	24.5	-29.2	0	0	0	107.8	T593	P591-T593 PolarHBondContact O-N 3.47Å; P591-T593 VanDerWaalsContact O-N 3.09Å
592	S	36.9	Very low	40.2	Very low	106 Å²	106	165.4 Å²	165.4	74%	0.741	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-53.9	117.4	171.2	55.6	0	0	0	0	108.6	E590 E594	E590-S592 PolarHBondContact O-N 2.82Å; S592-E594 PolarHBondContact O-N 2.85Å
593	T	45.9	Very low	37.1	Very low	146 Å²	146	170.8 Å²	170.8	90%	0.896	87%	0.866	S	S	*	*			trans	-76.7	80.1	167.1	24.6	0	0	0	0	108.1	P591	P591-T593 PolarHBondContact O-N 3.47Å; P591-T593 VanDerWaalsContact O-N 3.09Å
594	E	39.6	Very low	34.7	Very low	171 Å²	171	169.6 Å²	169.6	80%	0.799	87%	0.866	S	S	*	*			trans	-130.4	94.9	156.4	-76.7	-164.3	164.1	0	0	108.2	S592	S592-E594 PolarHBondContact O-N 2.85Å
595	L	33.7	Very low	34.5	Very low	252 Å²	252	167.6 Å²	167.6	100%	1.319	86%	0.864	S	S	*	*			trans	-175.6	0	133.3	-99	157	0	0	0	109.9

Retrieved 595 of 595 residues in 4383.1 ms (Link to these results)

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