A0A3Q0KST2_SCHMA Loading...

Aromatic-L-amino-acid decarboxylase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KST2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 529 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	37	Very low	240 Å²	240	158.7 Å²	158.7	100%	1.182	89%	0.886	S	S	*	*				0	113	0	-81.3	-176.6	-171.9	0	0	106.5
2	D	33.8	Very low	36.7	Very low	156 Å²	156	156.7 Å²	156.7	83%	0.834	88%	0.881	S	S	*	*			trans	-60.3	137.4	-160	-56.2	-72.2	0	0	0	114.2
3	L	35.9	Very low	36.7	Very low	172 Å²	172	155.5 Å²	155.5	90%	0.901	87%	0.869	S	S	*	*			trans	179.7	52.8	149.2	-97.6	160.6	0	0	0	111.7
4	L	38.8	Very low	36.6	Very low	172 Å²	172	157.6 Å²	157.6	90%	0.901	86%	0.864	S	S	*	*			trans	-147.8	80	163.6	-79.7	177.3	0	0	0	109.3
5	N	38.6	Very low	36.7	Very low	172 Å²	172	160.9 Å²	160.9	92%	0.92	86%	0.861	S	S	*	*			trans	-160.3	90.5	163.4	-95.2	-29	0	0	0	109.3
6	G	35.7	Very low	36.9	Very low	79 Å²	79	160.8 Å²	160.8	81%	0.814	86%	0.86	S	S	*	*			trans	-130.3	87.7	172.4	0	0	0	0	0	110	C8	G6-C8 PolarHBondContact O-N 3.43Å
7	K	38.6	Very low	37.2	Very low	209 Å²	209	156.2 Å²	156.2	91%	0.909	84%	0.843	S	S	*	*			trans	-62.1	121.3	172.7	-73.4	176.6	174.8	177.5	0	109.5	S9	K7-S9 PolarHBondContact O-N 3.15Å
8	C	35.5	Very low	37	Very low	137 Å²	137	156.1 Å²	156.1	93%	0.926	85%	0.849	S	S	*	*			trans	-77.1	113.6	169.9	-147.2	0	0	0	0	108.7	G6	G6-C8 PolarHBondContact O-N 3.43Å
9	S	39.6	Very low	37.1	Very low	101 Å²	101	153.6 Å²	153.6	71%	0.706	84%	0.839	S	S	*	*			trans	-91.6	129.1	169.1	60.6	0	0	0	0	109.1	K7 K11	K7-S9 PolarHBondContact O-N 3.15Å; S9-K11 PolarHBondContact O-N 2.85Å
10	S	34.6	Very low	37.2	Very low	119 Å²	119	154.9 Å²	154.9	83%	0.832	84%	0.84	S	S	*	*			trans	-71	114.5	176	46.8	0	0	0	0	110.2
11	K	38.3	Very low	37.5	Very low	189 Å²	189	155.2 Å²	155.2	82%	0.822	84%	0.839	S	S	*	*			trans	-118.2	109.2	159.8	-86.2	-172.2	176.2	-179.3	0	108.8	S9 I13	S9-K11 PolarHBondContact O-N 2.85Å; K11-I13 PolarHBondContact O-N 3.43Å
12	T	33.2	Very low	37.8	Very low	134 Å²	134	149.3 Å²	149.3	82%	0.822	82%	0.816	S	S	*	*			trans	-71.4	117	170.4	-49.4	0	0	0	0	108.4
13	I	37.3	Very low	38.5	Very low	141 Å²	141	147.8 Å²	147.8	72%	0.723	81%	0.809	S	S	*	*			trans	-99.5	114.9	167.7	-62.7	176.5	0	0	0	106.6	K11 Y15	K11-I13 PolarHBondContact O-N 3.43Å; I13-Y15 HydrophobicContact CG2-CD2 4.19Å; I13-Y15 HydrophobicContact CG2-CE2 4.33Å; I13-Y15 PolarHBondContact O-N 3.07Å
14	K	35.1	Very low	39.2	Very low	185 Å²	185	143.8 Å²	143.8	80%	0.804	79%	0.794	S	S	*	*			trans	-74.3	115.9	171.8	-77.1	-177.4	174	-177	0	109.1
15	Y	37.7	Very low	40	Very low	207 Å²	207	141.1 Å²	141.1	81%	0.812	78%	0.781	S	S	*	*			trans	-98.8	112.1	158.3	-101.3	-90.4	0	0	0	108.3	I13 S17	I13-Y15 HydrophobicContact CG2-CD2 4.19Å; I13-Y15 HydrophobicContact CG2-CE2 4.33Å; I13-Y15 PolarHBondContact O-N 3.07Å; Y15-S17 PolarHBondContact O-N 3.44Å
16	N	39.8	Very low	41.1	Very low	160 Å²	160	140 Å²	140	86%	0.856	77%	0.774	S	S	*	*			trans	-82.8	96.2	168.6	-84.3	-11.3	0	0	0	108.5
17	S	41.3	Very low	42.9	Very low	82 Å²	82	141.4 Å²	141.4	57%	0.573	76%	0.762	S	S	*	*			trans	-152.3	116.3	151.9	54.9	0	0	0	0	106.9	Y15 T19	Y15-S17 PolarHBondContact O-N 3.44Å; S17-T19 VanDerWaalsContact C-N 3.26Å; S17-T19 PolarHBondContact O-N 3.46Å
18	T	35	Very low	45.1	Very low	154 Å²	154	139 Å²	139	95%	0.945	75%	0.752	S	S	*	*			trans	-65.2	86.1	173.2	41.2	0	0	0	0	109.4
19	T	38.4	Very low	47.6	Very low	109 Å²	109	136.9 Å²	136.9	67%	0.669	73%	0.731	S	S	*	*			trans	-112.7	113.3	156.3	31.2	0	0	0	0	105.2	S17 I21	S17-T19 VanDerWaalsContact C-N 3.26Å; S17-T19 PolarHBondContact O-N 3.46Å; T19-I21 PolarHBondContact O-N 3.06Å; T19-I21 VanDerWaalsContact O-N 3.12Å
20	E	38.8	Very low	50	Low	180 Å²	180	135.2 Å²	135.2	84%	0.841	71%	0.714	S	S	*	*			trans	-48.8	119.6	168.4	-74.7	173.8	153.1	0	0	107.7	T22	E20-T22 PolarHBondContact O-N 3.25Å
21	I	42.8	Very low	52.8	Low	162 Å²	162	136.9 Å²	136.9	83%	0.831	71%	0.709	S	S	*	*			trans	-69.5	87.2	163.8	-60.9	171.1	0	0	0	103.5	T19 D23	T19-I21 PolarHBondContact O-N 3.06Å; T19-I21 VanDerWaalsContact O-N 3.12Å; I21-D23 PolarHBondContact O-N 2.98Å
22	T	45.9	Very low	55.5	Low	115 Å²	115	133.6 Å²	133.6	71%	0.706	70%	0.7	S	S	*	*			trans	-54.1	130.2	162.8	45.8	0	0	0	0	106.7	E20 C24	E20-T22 PolarHBondContact O-N 3.25Å; T22-C24 PolarHBondContact O-N 3.42Å
23	D	46.7	Very low	58.4	Low	125 Å²	125	129.8 Å²	129.8	67%	0.668	67%	0.673	S	S	*	*			trans	-40.1	129.3	-175	-86.2	-42.9	0	0	0	111.1	I21 D25	I21-D23 PolarHBondContact O-N 2.98Å; D23-D25 HydrophobicContact CB-CB 3.99Å; D23-D25 PolarHBondContact O-N 3.12Å
24	C	51.8	Low	61.1	Low	87 Å²	87	129.3 Å²	129.3	59%	0.588	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-60.4	0.4	170.5	-135.5	0	0	0	0	112.3	T22 D26	T22-C24 PolarHBondContact O-N 3.42Å; C24-D26 VanDerWaalsContact C-N 3.29Å; C24-D26 PolarHBondContact O-N 3.3Å
25	D	54.2	Low	64.1	Low	117 Å²	117	128.6 Å²	128.6	63%	0.626	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-74.5	-13.6	-175.5	-70.7	-13	0	0	0	113.5	D23	D23-D25 HydrophobicContact CB-CB 3.99Å; D23-D25 PolarHBondContact O-N 3.12Å
26	D	63	Low	66.9	Low	148 Å²	148	123.5 Å²	123.5	79%	0.791	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-93.1	-2.9	179.4	-103.3	-4.1	0	0	0	114.5	C24	C24-D26 VanDerWaalsContact C-N 3.29Å; C24-D26 PolarHBondContact O-N 3.3Å
27	I	73.9	Confident	69.6	Low	109 Å²	109	117.4 Å²	117.4	56%	0.559	61%	0.607	S	S	*	*	S	Bend	trans	-85	-24	-175.6	-55.6	177.2	0	0	0	112.1
28	F	83.8	Confident	72.2	Confident	159 Å²	159	114.5 Å²	114.5	70%	0.697	59%	0.589	S	S	*	*	S	Bend	trans	-123.4	147	-177	-58.5	-71.2	0	0	0	110.7	N30	F28-N30 PolarHBondContact O-N 2.8Å
29	L	87.9	Confident	75.1	Confident	91 Å²	91	110.6 Å²	110.6	48%	0.476	57%	0.566	S	S	.	*			trans	-53.2	112.3	169.6	-71.9	175.2	0	0	0	110.3	E33 Y37 W81	L29-E33 WeakPolarHBondContact CA-OE2 3.22Å; L29-E33 HydrophobicContact CD2-CB 3.85Å; L29-Y37 HydrophobicContact CD2-CD2 3.59Å; L29-Y37 HydrophobicContact CD2-CE2 3.57Å; L29-W81 HydrophobicContact CD1-CE3 4.33Å; L29-W81 HydrophobicContact CD1-CZ3 4.23Å
30	N	90.5	Very high	78	Confident	66 Å²	66	109.2 Å²	109.2	35%	0.353	55%	0.55	S	S	.	*			trans	-77.4	174.9	177.5	69.6	55	0	0	0	111.1	F28 N32 E33 F34	F28-N30 PolarHBondContact O-N 2.8Å; N30-N32 VanDerWaalsContact C-N 3.26Å; N30-N32 PolarHBondContact O-N 3.31Å; N30-N32 WeakPolarHBondContact OD1-CA 3.31Å; N30-N32 WeakPolarHBondContact OD1-CB 3.38Å; N30-N32 PolarHBondContact OD1-N 2.93Å; N30-E33 PolarHBondContact N-OE2 3.26Å; N30-E33 PolarHBondContact ND2-OE2 2.86Å; N30-E33 PolarHBondContact O-N 3.5Å; N30-E33 PolarHBondContact OD1-N 3.36Å; N30-E33 VanDerWaalsContact OD1-N 3.1Å; N30-F34 WeakPolarHBondContact O-CB 3.39Å; N30-F34 PolarHBondContact O-N 3.5Å
31	H	93.5	Very high	80.8	Confident	155 Å²	155	103.7 Å²	103.7	72%	0.718	53%	0.525	S	S	*	.	H	α-helix	trans	-58	-33.7	-177.9	-67.6	150.5	0	0	0	114.4	R35	H31-R35 VanDerWaalsContact O-CG 3.28Å; H31-R35 WeakPolarHBondContact O-CG 3.2Å; H31-R35 PolarHBondContact O-N 3.42Å; H31-R35 VanDerWaalsContact O-N 3.07Å
32	N	95.1	Very high	83.4	Confident	120 Å²	120	100.7 Å²	100.7	64%	0.642	51%	0.51	S	S	*	.	H	α-helix	trans	-75.3	-42.8	-179.3	-68.8	-30.6	0	0	0	110.9	N30 R35 Q36	N30-N32 VanDerWaalsContact C-N 3.26Å; N30-N32 PolarHBondContact O-N 3.31Å; N30-N32 WeakPolarHBondContact OD1-CA 3.31Å; N30-N32 WeakPolarHBondContact OD1-CB 3.38Å; N30-N32 PolarHBondContact OD1-N 2.93Å; N32-R35 WeakPolarHBondContact O-CB 3.39Å; N32-R35 PolarHBondContact O-N 2.86Å; N32-Q36 PolarHBondContact O-N 3.21Å
33	E	93.5	Very high	85.9	Confident	54 Å²	54	100.4 Å²	100.4	25%	0.252	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-43.6	173.8	-66	178.8	110.5	0	0	111.1	L29 N30 R35 Q36 Y37	L29-E33 WeakPolarHBondContact CA-OE2 3.22Å; L29-E33 HydrophobicContact CD2-CB 3.85Å; N30-E33 PolarHBondContact N-OE2 3.26Å; N30-E33 PolarHBondContact ND2-OE2 2.86Å; N30-E33 PolarHBondContact O-N 3.5Å; N30-E33 PolarHBondContact OD1-N 3.36Å; N30-E33 VanDerWaalsContact OD1-N 3.1Å; E33-R35 VanDerWaalsContact C-N 3.31Å; E33-R35 PolarHBondContact O-N 2.79Å; E33-Q36 PolarHBondContact O-N 2.79Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; E33-Y37 HydrophobicContact CB-CD2 3.94Å; E33-Y37 HydrophobicContact CB-CE2 3.79Å; E33-Y37 HydrophobicContact CG-CE2 4.26Å; E33-Y37 WeakPolarHBondContact O-CB 3.38Å; E33-Y37 WeakPolarHBondContact O-CD2 3.32Å; E33-Y37 PolarHBondContact O-N 3.2Å
34	F	94.7	Very high	88.3	Confident	131 Å²	131	96.6 Å²	96.6	58%	0.575	48%	0.477	S	S	*	.	H	α-helix	trans	-59.5	-39.8	173.4	176.9	-108.6	0	0	0	112.5	N30 G38	N30-F34 WeakPolarHBondContact O-CB 3.39Å; N30-F34 PolarHBondContact O-N 3.5Å; F34-G38 VanDerWaalsContact O-CA 3.23Å; F34-G38 WeakPolarHBondContact O-CA 3.07Å; F34-G38 PolarHBondContact O-N 3.22Å
35	R	96.8	Very high	90.5	Very high	169 Å²	169	94.5 Å²	94.5	64%	0.638	46%	0.462	S	S	*	.	H	α-helix	trans	-62.5	-43.8	174	-76.2	177.5	-164.9	-55	-4.6	111.7	H31 N32 E33 T39	H31-R35 VanDerWaalsContact O-CG 3.28Å; H31-R35 WeakPolarHBondContact O-CG 3.2Å; H31-R35 PolarHBondContact O-N 3.42Å; H31-R35 VanDerWaalsContact O-N 3.07Å; N32-R35 WeakPolarHBondContact O-CB 3.39Å; N32-R35 PolarHBondContact O-N 2.86Å; E33-R35 VanDerWaalsContact C-N 3.31Å; E33-R35 PolarHBondContact O-N 2.79Å; R35-T39 VanDerWaalsContact O-CB 3.26Å; R35-T39 WeakPolarHBondContact O-CB 3.25Å; R35-T39 PolarHBondContact O-N 3.36Å; R35-T39 VanDerWaalsContact O-N 3.1Å; R35-T39 PolarHBondContact O-OG1 3.48Å
36	Q	97	Very high	92.6	Very high	101 Å²	101	90.4 Å²	90.4	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-66.1	-59	-180	179.6	178.9	-6.9	0	0	111.3	N32 E33 T39 K40	N32-Q36 PolarHBondContact O-N 3.21Å; E33-Q36 PolarHBondContact O-N 2.79Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; Q36-T39 PolarHBondContact O-N 3.22Å; Q36-K40 PolarHBondContact O-N 3.12Å
37	Y	96.1	Very high	94.3	Very high	32 Å²	32	87.5 Å²	87.5	13%	0.125	43%	0.429	C	S	.	.	H	α-helix	trans	-69.4	-36.5	-176.7	-61.9	-47.7	0	0	0	112.5	L29 E33 T39 K40 M41 W81	L29-Y37 HydrophobicContact CD2-CD2 3.59Å; L29-Y37 HydrophobicContact CD2-CE2 3.57Å; E33-Y37 HydrophobicContact CB-CD2 3.94Å; E33-Y37 HydrophobicContact CB-CE2 3.79Å; E33-Y37 HydrophobicContact CG-CE2 4.26Å; E33-Y37 WeakPolarHBondContact O-CB 3.38Å; E33-Y37 WeakPolarHBondContact O-CD2 3.32Å; E33-Y37 PolarHBondContact O-N 3.2Å; Y37-T39 VanDerWaalsContact C-N 3.35Å; Y37-T39 PolarHBondContact O-N 3.02Å; Y37-K40 HydrophobicContact CD1-CD 4.23Å; Y37-K40 PolarHBondContact O-N 2.96Å; Y37-M41 WeakPolarHBondContact O-CB 3.38Å; Y37-M41 PolarHBondContact O-N 2.84Å; Y37-W81 HydrophobicContact CD1-CB 3.8Å; Y37-W81 AromaticContact CD1-CD1 3.3Å; Y37-W81 AromaticContact CD1-CD2 3.73Å; Y37-W81 HydrophobicContact CD1-CD2 3.73Å; Y37-W81 AromaticContact CD1-CE2 3.98Å; Y37-W81 AromaticContact CD1-CG 3.29Å; Y37-W81 HydrophobicContact CD1-CG 3.29Å; Y37-W81 AromaticContact CD1-NE1 3.7Å; Y37-W81 HydrophobicContact CD2-CB 4.39Å; Y37-W81 HydrophobicContact CD2-CD2 4.18Å; Y37-W81 HydrophobicContact CD2-CE3 4.25Å; Y37-W81 HydrophobicContact CD2-CG 4.24Å; Y37-W81 HydrophobicContact CE1-CB 3.55Å; Y37-W81 AromaticContact CE1-CD1 3.74Å; Y37-W81 HydrophobicContact CE1-CD2 4.42Å; Y37-W81 AromaticContact CE1-CG 3.6Å; Y37-W81 HydrophobicContact CE1-CG 3.6Å; Y37-W81 HydrophobicContact CE2-CB 4.17Å; Y37-W81 HydrophobicContact CE2-CG 4.48Å; Y37-W81 HydrophobicContact CG-CB 4.24Å; Y37-W81 AromaticContact CG-CD2 3.61Å; Y37-W81 HydrophobicContact CG-CD2 3.61Å; Y37-W81 AromaticContact CG-CE2 3.95Å; Y37-W81 HydrophobicContact CG-CE3 4.04Å; Y37-W81 AromaticContact CG-CG 3.68Å; Y37-W81 HydrophobicContact CG-CG 3.68Å
38	G	96.4	Very high	95.4	Very high	20 Å²	20	84 Å²	84	21%	0.206	41%	0.409	C	S	.	.	H	α-helix	trans	-62.4	-39.7	172.2	0	0	0	0	0	112.5	F34 M41 I42	F34-G38 VanDerWaalsContact O-CA 3.23Å; F34-G38 WeakPolarHBondContact O-CA 3.07Å; F34-G38 PolarHBondContact O-N 3.22Å; G38-M41 PolarHBondContact O-N 2.85Å; G38-I42 WeakPolarHBondContact O-CG1 3.39Å; G38-I42 PolarHBondContact O-N 3.42Å
39	T	97.3	Very high	96.1	Very high	73 Å²	73	77.4 Å²	77.4	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-67.1	-43.6	174.1	-58.3	0	0	0	0	111.4	R35 Q36 Y37 M41 I42 Q43	R35-T39 VanDerWaalsContact O-CB 3.26Å; R35-T39 WeakPolarHBondContact O-CB 3.25Å; R35-T39 PolarHBondContact O-N 3.36Å; R35-T39 VanDerWaalsContact O-N 3.1Å; R35-T39 PolarHBondContact O-OG1 3.48Å; Q36-T39 PolarHBondContact O-N 3.22Å; Y37-T39 VanDerWaalsContact C-N 3.35Å; Y37-T39 PolarHBondContact O-N 3.02Å; T39-M41 VanDerWaalsContact C-N 3.28Å; T39-M41 PolarHBondContact O-N 2.91Å; T39-I42 PolarHBondContact O-N 2.88Å; T39-Q43 WeakPolarHBondContact O-CG 3.36Å; T39-Q43 PolarHBondContact O-N 3.45Å
40	K	97.6	Very high	96.5	Very high	79 Å²	79	79.7 Å²	79.7	34%	0.343	39%	0.389	S	S	.	.	H	α-helix	trans	-58.4	-40.6	173.7	-73.9	179.5	174.8	-178.8	0	111.5	Q36 Y37 Q43 Y44 E82	Q36-K40 PolarHBondContact O-N 3.12Å; Y37-K40 HydrophobicContact CD1-CD 4.23Å; Y37-K40 PolarHBondContact O-N 2.96Å; K40-Q43 PolarHBondContact O-N 2.91Å; K40-Y44 WeakPolarHBondContact O-CB 3.5Å; K40-Y44 PolarHBondContact O-N 2.96Å; K40-E82 IonicContact NZ-OE1 2.85Å; K40-E82 PolarHBondContact NZ-OE1 3.48Å; K40-E82 VanDerWaalsContact NZ-OE1 3.14Å
41	M	97.8	Very high	96.9	Very high	64 Å²	64	79.6 Å²	79.6	32%	0.315	39%	0.388	S	S	.	.	H	α-helix	trans	-66.1	-40.7	177.1	-177.9	59.3	70.4	0	0	112.1	Y37 G38 T39 Q43 Y44 V45 W81 M85	Y37-M41 WeakPolarHBondContact O-CB 3.38Å; Y37-M41 PolarHBondContact O-N 2.84Å; G38-M41 PolarHBondContact O-N 2.85Å; T39-M41 VanDerWaalsContact C-N 3.28Å; T39-M41 PolarHBondContact O-N 2.91Å; M41-Q43 VanDerWaalsContact C-N 3.33Å; M41-Q43 PolarHBondContact O-N 3.28Å; M41-Y44 PolarHBondContact O-N 3.22Å; M41-Y44 HydrophobicContact SD-CD1 4.17Å; M41-V45 WeakPolarHBondContact O-CG2 3.3Å; M41-V45 PolarHBondContact O-N 2.96Å; M41-V45 HydrophobicContact SD-CG2 4.26Å; M41-W81 HydrophobicContact CB-CZ2 4.45Å; M41-W81 HydrophobicContact CE-CH2 4.14Å; M41-W81 HydrophobicContact CE-CZ2 3.8Å; M41-M85 HydrophobicContact CE-CE 3.97Å; M41-M85 HydrophobicContact CE-SD 3.42Å; M41-M85 WeakPolarHBondContact CE-SD 3.29Å
42	I	97.9	Very high	97	Very high	100 Å²	100	72.3 Å²	72.3	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-43.9	174.2	-70.5	165.7	0	0	0	110.7	G38 T39 V45 A46 I121	G38-I42 WeakPolarHBondContact O-CG1 3.39Å; G38-I42 PolarHBondContact O-N 3.42Å; T39-I42 PolarHBondContact O-N 2.88Å; I42-V45 PolarHBondContact O-N 3.42Å; I42-A46 WeakPolarHBondContact O-CB 3.37Å; I42-A46 PolarHBondContact O-N 3.22Å; I42-I121 HydrophobicContact CD1-CD1 4.44Å; I42-I121 HydrophobicContact CG1-CD1 4.37Å
43	Q	97.7	Very high	97	Very high	109 Å²	109	71.3 Å²	71.3	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-49.7	175.4	-71.8	170.8	-4.2	0	0	110.8	T39 K40 M41 V45 A46 D47	T39-Q43 WeakPolarHBondContact O-CG 3.36Å; T39-Q43 PolarHBondContact O-N 3.45Å; K40-Q43 PolarHBondContact O-N 2.91Å; M41-Q43 VanDerWaalsContact C-N 3.33Å; M41-Q43 PolarHBondContact O-N 3.28Å; Q43-V45 VanDerWaalsContact C-N 3.34Å; Q43-V45 PolarHBondContact O-N 3.02Å; Q43-A46 WeakPolarHBondContact O-CB 3.29Å; Q43-A46 PolarHBondContact O-N 3.35Å; Q43-A46 VanDerWaalsContact O-N 3.09Å; Q43-D47 WeakPolarHBondContact O-CB 3.36Å; Q43-D47 PolarHBondContact O-N 3.42Å
44	Y	98.1	Very high	97.1	Very high	44 Å²	44	76.4 Å²	76.4	17%	0.173	37%	0.373	C	S	.	.	H	α-helix	trans	-53.9	-47.2	177.1	177.8	-96.2	0	0	0	113	K40 M41 D47 Y48 M85 V88 E89 M93	K40-Y44 WeakPolarHBondContact O-CB 3.5Å; K40-Y44 PolarHBondContact O-N 2.96Å; M41-Y44 PolarHBondContact O-N 3.22Å; M41-Y44 HydrophobicContact SD-CD1 4.17Å; Y44-D47 PolarHBondContact O-N 2.96Å; Y44-Y48 WeakPolarHBondContact O-CB 3.34Å; Y44-Y48 PolarHBondContact O-N 3.36Å; Y44-M85 HydrophobicContact CD1-CE 4.01Å; Y44-M85 HydrophobicContact CD2-CE 3.96Å; Y44-M85 HydrophobicContact CE1-CE 4.18Å; Y44-M85 HydrophobicContact CE2-CE 4.13Å; Y44-M85 HydrophobicContact CG-CE 3.89Å; Y44-V88 HydrophobicContact CE1-CG1 4.38Å; Y44-E89 HydrophobicContact CE2-CG 4.03Å; Y44-E89 WeakPolarHBondContact CE2-OE1 3.47Å; Y44-E89 PolarHBondContact OH-OE1 2.93Å; Y44-M93 HydrophobicContact CE1-CE 3.97Å; Y44-M93 WeakPolarHBondContact OH-CE 3.46Å
45	V	98.2	Very high	97.1	Very high	43 Å²	43	73.4 Å²	73.4	26%	0.261	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-38	178.5	172.1	0	0	0	0	111.7	M41 I42 Q43 L49 I117	M41-V45 WeakPolarHBondContact O-CG2 3.3Å; M41-V45 PolarHBondContact O-N 2.96Å; M41-V45 HydrophobicContact SD-CG2 4.26Å; I42-V45 PolarHBondContact O-N 3.42Å; Q43-V45 VanDerWaalsContact C-N 3.34Å; Q43-V45 PolarHBondContact O-N 3.02Å; V45-L49 HydrophobicContact CG1-CD1 4.08Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 WeakPolarHBondContact O-CG 3.26Å; V45-L49 PolarHBondContact O-N 3.41Å; V45-L49 VanDerWaalsContact O-N 3.08Å; V45-I117 HydrophobicContact CG1-CD1 4.2Å
46	A	98.3	Very high	97	Very high	32 Å²	32	69.6 Å²	69.6	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-49.6	175.7	0	0	0	0	0	111	I42 Q43 Y48 L49 E50	I42-A46 WeakPolarHBondContact O-CB 3.37Å; I42-A46 PolarHBondContact O-N 3.22Å; Q43-A46 WeakPolarHBondContact O-CB 3.29Å; Q43-A46 PolarHBondContact O-N 3.35Å; Q43-A46 VanDerWaalsContact O-N 3.09Å; A46-Y48 VanDerWaalsContact C-N 3.33Å; A46-Y48 PolarHBondContact O-N 3.08Å; A46-L49 PolarHBondContact O-N 3.36Å; A46-E50 WeakPolarHBondContact O-CB 3.49Å; A46-E50 PolarHBondContact O-N 2.98Å
47	D	98.2	Very high	97	Very high	86 Å²	86	64.9 Å²	64.9	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-40.6	178.7	-62.8	-17.9	0	0	0	111.2	Q43 Y44 N51	Q43-D47 WeakPolarHBondContact O-CB 3.36Å; Q43-D47 PolarHBondContact O-N 3.42Å; Y44-D47 PolarHBondContact O-N 2.96Å; D47-N51 WeakPolarHBondContact O-CB 3.38Å; D47-N51 PolarHBondContact O-N 3.49Å; D47-N51 PolarHBondContact O-ND2 2.64Å
48	Y	98.1	Very high	96.9	Very high	37 Å²	37	66.2 Å²	66.2	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-43.5	175.2	163.3	-107.3	0	0	0	112.5	Y44 A46 I52 M93 H98	Y44-Y48 WeakPolarHBondContact O-CB 3.34Å; Y44-Y48 PolarHBondContact O-N 3.36Å; A46-Y48 VanDerWaalsContact C-N 3.33Å; A46-Y48 PolarHBondContact O-N 3.08Å; Y48-I52 HydrophobicContact CE1-CD1 4.19Å; Y48-I52 HydrophobicContact CE2-CD1 4.29Å; Y48-I52 HydrophobicContact CE2-CG1 4.35Å; Y48-I52 VanDerWaalsContact O-CA 3.32Å; Y48-I52 WeakPolarHBondContact O-CA 3.32Å; Y48-I52 VanDerWaalsContact O-CB 3.3Å; Y48-I52 WeakPolarHBondContact O-CB 3.29Å; Y48-I52 PolarHBondContact O-N 2.94Å; Y48-I52 VanDerWaalsContact O-N 3.16Å; Y48-M93 HydrophobicContact CD2-CE 4.13Å; Y48-M93 HydrophobicContact CE2-CE 4.21Å; Y48-M93 HydrophobicContact CE2-SD 4.23Å; Y48-H98 AromaticContact CE2-CE1 3.75Å; Y48-H98 AromaticContact CE2-ND1 3.47Å; Y48-H98 WeakPolarHBondContact CE2-ND1 3.49Å; Y48-H98 AromaticContact CZ-ND1 3.6Å; Y48-H98 PolarHBondContact OH-ND1 3.08Å
49	L	97.6	Very high	96.8	Very high	19 Å²	19	66.2 Å²	66.2	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-77.8	-31.8	-179.3	-71.7	175.5	0	0	0	112.6	V45 A46 I52 Q100 Y114 I117	V45-L49 HydrophobicContact CG1-CD1 4.08Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 WeakPolarHBondContact O-CG 3.26Å; V45-L49 PolarHBondContact O-N 3.41Å; V45-L49 VanDerWaalsContact O-N 3.08Å; A46-L49 PolarHBondContact O-N 3.36Å; L49-I52 HydrophobicContact CD2-CD1 4.32Å; L49-Q100 HydrophobicContact CD2-CB 3.99Å; L49-Q100 HydrophobicContact CD2-CG 4.19Å; L49-Y114 HydrophobicContact CB-CE1 4.42Å; L49-Y114 HydrophobicContact CD1-CD1 4.33Å; L49-Y114 HydrophobicContact CD1-CE1 3.63Å; L49-I117 HydrophobicContact CD1-CD1 4.35Å
50	E	96.9	Very high	96.6	Very high	140 Å²	140	69.5 Å²	69.5	65%	0.654	34%	0.335	S	S	*	.	H	α-helix	trans	-68.4	-41.7	175.7	-176.4	167.6	-149	0	0	111.8	A46	A46-E50 WeakPolarHBondContact O-CB 3.49Å; A46-E50 PolarHBondContact O-N 2.98Å
51	N	97.4	Very high	96.5	Very high	63 Å²	63	68 Å²	68	34%	0.337	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	25.4	-176.7	-51.8	-72.2	0	0	0	112.5	D47 D53 E54	D47-N51 WeakPolarHBondContact O-CB 3.38Å; D47-N51 PolarHBondContact O-N 3.49Å; D47-N51 PolarHBondContact O-ND2 2.64Å; N51-D53 PolarHBondContact O-N 2.83Å; N51-E54 HydrophobicContact CB-CG 4.37Å; N51-E54 WeakPolarHBondContact O-CB 3.41Å; N51-E54 PolarHBondContact O-N 3.48Å
52	I	97.1	Very high	96.3	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.01	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-64.2	-27.2	-174.9	-166.2	160.7	0	0	0	112.3	Y48 L49 E54 R55 H98 Q100 H101	Y48-I52 HydrophobicContact CE1-CD1 4.19Å; Y48-I52 HydrophobicContact CE2-CD1 4.29Å; Y48-I52 HydrophobicContact CE2-CG1 4.35Å; Y48-I52 VanDerWaalsContact O-CA 3.32Å; Y48-I52 WeakPolarHBondContact O-CA 3.32Å; Y48-I52 VanDerWaalsContact O-CB 3.3Å; Y48-I52 WeakPolarHBondContact O-CB 3.29Å; Y48-I52 PolarHBondContact O-N 2.94Å; Y48-I52 VanDerWaalsContact O-N 3.16Å; L49-I52 HydrophobicContact CD2-CD1 4.32Å; I52-E54 PolarHBondContact O-N 3.37Å; I52-R55 WeakPolarHBondContact O-CB 3.37Å; I52-R55 PolarHBondContact O-N 2.92Å; I52-R55 VanDerWaalsContact O-N 3.12Å; I52-H98 HydrophobicContact CD1-CB 4.14Å; I52-H98 HydrophobicContact CG1-CB 4.21Å; I52-Q100 HydrophobicContact CD1-CB 3.77Å; I52-H101 HydrophobicContact CG1-CB 4.32Å; I52-H101 PolarHBondContact O-CD2 2.84Å
53	D	95.1	Very high	96.3	Very high	100 Å²	100	74 Å²	74	54%	0.535	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-69.6	-16.7	179	61.5	-21.9	0	0	0	113.9	N51 P102	N51-D53 PolarHBondContact O-N 2.83Å; D53-P102 HydrophobicContact CB-CG 4.32Å
54	E	95.2	Very high	96.3	Very high	160 Å²	160	71.1 Å²	71.1	75%	0.748	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-75.4	-15.4	170.3	-57.3	-172.5	160.2	0	0	112.5	N51 I52	N51-E54 HydrophobicContact CB-CG 4.37Å; N51-E54 WeakPolarHBondContact O-CB 3.41Å; N51-E54 PolarHBondContact O-N 3.48Å; I52-E54 PolarHBondContact O-N 3.37Å
55	R	95.2	Very high	96.3	Very high	68 Å²	68	72 Å²	72	26%	0.257	37%	0.372	S	S	.	.	S	Bend	trans	-94.3	148.6	-179	-58	-170.7	-179.4	-111.5	5.4	111.4	I52 V57 E89 H98 H101	I52-R55 WeakPolarHBondContact O-CB 3.37Å; I52-R55 PolarHBondContact O-N 2.92Å; I52-R55 VanDerWaalsContact O-N 3.12Å; R55-V57 PolarHBondContact O-N 3.29Å; R55-E89 IonicContact CZ-OE1 3.24Å; R55-E89 IonicContact CZ-OE2 3.72Å; R55-E89 IonicContact NH1-OE1 2.83Å; R55-E89 IonicContact NH1-OE2 3.66Å; R55-E89 PolarHBondContact NH1-OE2 2.69Å; R55-E89 IonicContact NH2-OE1 3.43Å; R55-E89 PolarHBondContact NH2-OE1 3.06Å; R55-E89 IonicContact NH2-OE2 3.43Å; R55-E89 PolarHBondContact NH2-OE2 3Å; R55-H98 VanDerWaalsContact CD-CE1 3.46Å; R55-H98 WeakPolarHBondContact CD-CE1 3.35Å; R55-H101 PolarHBondContact O-CD2 3.01Å; R55-H101 PolarHBondContact O-NE2 2.9Å
56	R	94.3	Very high	96.2	Very high	90 Å²	90	72.2 Å²	72.2	34%	0.34	37%	0.371	S	S	.	.			trans	-71.4	116.3	173.6	-173.6	-173.6	177.4	117	-5	110.2	F58 E60 H98 A453	R56-F58 VanDerWaalsContact C-N 3.26Å; R56-F58 WeakPolarHBondContact CD-O 3.23Å; R56-F58 WeakPolarHBondContact CG-O 3.04Å; R56-F58 PolarHBondContact NE-O 3.42Å; R56-F58 VanDerWaalsContact NE-O 3.09Å; R56-F58 PolarHBondContact O-N 2.96Å; R56-F58 VanDerWaalsContact O-N 3.07Å; R56-E60 VanDerWaalsContact CZ-CG 3.5Å; R56-E60 IonicContact CZ-OE1 3.14Å; R56-E60 IonicContact NE-OE1 3.97Å; R56-E60 IonicContact NH1-OE1 3.92Å; R56-E60 PolarHBondContact NH1-OE1 2.95Å; R56-E60 IonicContact NH1-OE2 3.05Å; R56-E60 IonicContact NH2-OE1 2.74Å; R56-E60 PolarHBondContact NH2-OE1 3.44Å; R56-H98 PolarHBondContact O-CD2 3.24Å; R56-H98 VanDerWaalsContact O-CD2 3.23Å; R56-A453 PolarHBondContact NH2-O 3.47Å
57	V	96.3	Very high	96.2	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.012	39%	0.387	C	S	.	.	S	Bend	trans	-48	-40.3	-176.5	59.8	0	0	0	0	115.5	R55 H98 H101 F104 G455 H458	R55-V57 PolarHBondContact O-N 3.29Å; V57-H98 PolarHBondContact O-N 2.84Å; V57-H101 HydrophobicContact CB-CB 4.21Å; V57-H101 HydrophobicContact CG2-CB 3.89Å; V57-F104 HydrophobicContact CG2-CB 3.79Å; V57-F104 HydrophobicContact CG2-CD2 4.1Å; V57-F104 HydrophobicContact CG2-CG 4.45Å; V57-G455 WeakPolarHBondContact CG1-O 3.44Å; V57-H458 HydrophobicContact CB-CB 4.48Å; V57-H458 HydrophobicContact CG1-CB 3.88Å; V57-H458 HydrophobicContact CG2-CB 3.75Å
58	F	95.2	Very high	96	Very high	60 Å²	60	78.7 Å²	78.7	26%	0.263	40%	0.403	S	S	.	.	S	Bend	trans	-122.5	131.3	-179.2	-171.2	-99.9	0	0	0	110.6	R56 T97 H458	R56-F58 VanDerWaalsContact C-N 3.26Å; R56-F58 WeakPolarHBondContact CD-O 3.23Å; R56-F58 WeakPolarHBondContact CG-O 3.04Å; R56-F58 PolarHBondContact NE-O 3.42Å; R56-F58 VanDerWaalsContact NE-O 3.09Å; R56-F58 PolarHBondContact O-N 2.96Å; R56-F58 VanDerWaalsContact O-N 3.07Å; F58-T97 HydrophobicContact CD2-CG2 3.96Å; F58-H458 HydrophobicContact CB-CB 4.29Å; F58-H458 AromaticContact CD2-CE1 3.28Å; F58-H458 WeakPolarHBondContact CD2-CE1 3.4Å; F58-H458 AromaticContact CD2-ND1 3.54Å; F58-H458 AromaticContact CD2-NE2 3.62Å; F58-H458 AromaticContact CE2-CE1 3.57Å; F58-H458 AromaticContact CE2-NE2 3.95Å; F58-H458 AromaticContact CG-CE1 3.91Å; F58-H458 AromaticContact CG-ND1 3.73Å
59	P	94.6	Very high	95.9	Very high	19 Å²	19	81 Å²	81	12%	0.123	42%	0.417	C	S	.	.			trans	-74.9	148.2	-169.5	31.5	-37.7	0	0	0	112.9	V61 P94 T97	P59-V61 HydrophobicContact CB-CG2 4.08Å; P59-V61 HydrophobicContact CG-CG2 4.28Å; P59-V61 PolarHBondContact O-N 2.76Å; P59-P94 WeakPolarHBondContact CB-O 3.48Å; P59-T97 WeakPolarHBondContact CD-OG1 3.14Å
60	E	92	Very high	95.8	Very high	142 Å²	142	83.7 Å²	83.7	66%	0.664	43%	0.431	S	S	*	.			trans	-96.7	56.6	174.5	-66.4	-174.2	146.1	0	0	111.3	R56	R56-E60 VanDerWaalsContact CZ-CG 3.5Å; R56-E60 IonicContact CZ-OE1 3.14Å; R56-E60 IonicContact NE-OE1 3.97Å; R56-E60 IonicContact NH1-OE1 3.92Å; R56-E60 PolarHBondContact NH1-OE1 2.95Å; R56-E60 IonicContact NH1-OE2 3.05Å; R56-E60 IonicContact NH2-OE1 2.74Å; R56-E60 PolarHBondContact NH2-OE1 3.44Å
61	V	94.7	Very high	95.7	Very high	49 Å²	49	81.6 Å²	81.6	30%	0.297	43%	0.43	S	S	.	.			trans	-120.6	155.6	-179.5	-59.6	0	0	0	0	111.6	P59 Y65	P59-V61 HydrophobicContact CB-CG2 4.08Å; P59-V61 HydrophobicContact CG-CG2 4.28Å; P59-V61 PolarHBondContact O-N 2.76Å; V61-Y65 HydrophobicContact CB-CD1 3.67Å; V61-Y65 HydrophobicContact CB-CD2 4.25Å; V61-Y65 HydrophobicContact CB-CE1 4.15Å; V61-Y65 HydrophobicContact CB-CG 3.75Å; V61-Y65 HydrophobicContact CG1-CD1 4.24Å; V61-Y65 HydrophobicContact CG1-CD2 3.97Å; V61-Y65 HydrophobicContact CG1-CE1 4.49Å; V61-Y65 HydrophobicContact CG1-CE2 4.24Å; V61-Y65 HydrophobicContact CG1-CG 4Å; V61-Y65 HydrophobicContact CG2-CD1 3.64Å; V61-Y65 HydrophobicContact CG2-CE1 3.71Å; V61-Y65 HydrophobicContact CG2-CG 4.24Å
62	H	95.5	Very high	95.7	Very high	154 Å²	154	86.4 Å²	86.4	71%	0.713	46%	0.455	S	S	*	.			trans	-104.7	154.3	173.8	-64.5	-54.7	0	0	0	111.5	G64 Y65	H62-G64 PolarHBondContact O-N 2.62Å; H62-Y65 WeakPolarHBondContact O-CB 3.35Å; H62-Y65 PolarHBondContact O-N 2.85Å; H62-Y65 VanDerWaalsContact O-N 3.09Å
63	P	97.6	Very high	95.7	Very high	136 Å²	136	94.1 Å²	94.1	88%	0.883	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	128.8	175.3	-29	36.1	0	0	0	112.4
64	G	96.7	Very high	95.8	Very high	48 Å²	48	93.2 Å²	93.2	50%	0.495	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	7	-178.3	0	0	0	0	0	115.9	H62 L66	H62-G64 PolarHBondContact O-N 2.62Å; G64-L66 VanDerWaalsContact C-N 3.35Å; G64-L66 PolarHBondContact O-N 3.2Å
65	Y	97.6	Very high	95.8	Very high	62 Å²	62	89.3 Å²	89.3	24%	0.243	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-44.9	178	80.3	-79.6	0	0	0	112.9	V61 H62 A67 K68 L69 G95	V61-Y65 HydrophobicContact CB-CD1 3.67Å; V61-Y65 HydrophobicContact CB-CD2 4.25Å; V61-Y65 HydrophobicContact CB-CE1 4.15Å; V61-Y65 HydrophobicContact CB-CG 3.75Å; V61-Y65 HydrophobicContact CG1-CD1 4.24Å; V61-Y65 HydrophobicContact CG1-CD2 3.97Å; V61-Y65 HydrophobicContact CG1-CE1 4.49Å; V61-Y65 HydrophobicContact CG1-CE2 4.24Å; V61-Y65 HydrophobicContact CG1-CG 4Å; V61-Y65 HydrophobicContact CG2-CD1 3.64Å; V61-Y65 HydrophobicContact CG2-CE1 3.71Å; V61-Y65 HydrophobicContact CG2-CG 4.24Å; H62-Y65 WeakPolarHBondContact O-CB 3.35Å; H62-Y65 PolarHBondContact O-N 2.85Å; H62-Y65 VanDerWaalsContact O-N 3.09Å; Y65-A67 PolarHBondContact O-N 3.29Å; Y65-K68 PolarHBondContact O-N 3.05Å; Y65-L69 HydrophobicContact CD2-CD1 4.31Å; Y65-G95 WeakPolarHBondContact OH-CA 3.34Å
66	L	97.6	Very high	95.8	Very high	47 Å²	47	93.4 Å²	93.4	25%	0.246	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-67.3	-38	-171.5	-175	61	0	0	0	113.1	G64 K68 L69 L70 M91 I92	G64-L66 VanDerWaalsContact C-N 3.35Å; G64-L66 PolarHBondContact O-N 3.2Å; L66-K68 PolarHBondContact O-N 3.02Å; L66-K68 VanDerWaalsContact O-N 3.08Å; L66-L69 PolarHBondContact O-N 2.97Å; L66-L70 HydrophobicContact CD1-CD1 4.24Å; L66-L70 HydrophobicContact CD1-CG 4.27Å; L66-L70 HydrophobicContact CD2-CD1 4.27Å; L66-L70 HydrophobicContact CG-CD1 3.84Å; L66-L70 HydrophobicContact CG-CG 4.31Å; L66-L70 PolarHBondContact O-N 2.91Å; L66-M91 HydrophobicContact CD1-CB 3.97Å; L66-I92 HydrophobicContact CD1-CD1 4.03Å; L66-I92 HydrophobicContact CD2-CD1 4.03Å
67	A	96.7	Very high	95.7	Very high	73 Å²	73	96.2 Å²	96.2	60%	0.603	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.6	179.9	0	0	0	0	0	113.1	Y65	Y65-A67 PolarHBondContact O-N 3.29Å
68	K	95.1	Very high	95.5	Very high	182 Å²	182	101.4 Å²	101.4	79%	0.791	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-83.9	-16.1	176	-58.6	176.4	-175.8	174.7	0	113.1	Y65 L66	Y65-K68 PolarHBondContact O-N 3.05Å; L66-K68 PolarHBondContact O-N 3.02Å; L66-K68 VanDerWaalsContact O-N 3.08Å
69	L	95.7	Very high	95.4	Very high	85 Å²	85	103.1 Å²	103.1	45%	0.445	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	-27.6	-179.2	-58.1	179.8	0	0	0	112	Y65 L66 M91	Y65-L69 HydrophobicContact CD2-CD1 4.31Å; L66-L69 PolarHBondContact O-N 2.97Å; L69-M91 HydrophobicContact CB-CB 4.48Å; L69-M91 HydrophobicContact CB-CG 4.15Å; L69-M91 HydrophobicContact CB-SD 3.96Å; L69-M91 HydrophobicContact CD1-CB 4.18Å; L69-M91 HydrophobicContact CD1-CG 4.31Å
70	L	96.1	Very high	95.3	Very high	76 Å²	76	104.4 Å²	104.4	40%	0.398	58%	0.582	S	S	.	*	S	Bend	trans	-87.9	152.9	-178.6	-66.4	172.3	0	0	0	112.5	L66 M91	L66-L70 HydrophobicContact CD1-CD1 4.24Å; L66-L70 HydrophobicContact CD1-CG 4.27Å; L66-L70 HydrophobicContact CD2-CD1 4.27Å; L66-L70 HydrophobicContact CG-CD1 3.84Å; L66-L70 HydrophobicContact CG-CG 4.31Å; L66-L70 PolarHBondContact O-N 2.91Å; L70-M91 HydrophobicContact CD2-SD 3.89Å
71	P	95.4	Very high	95.4	Very high	95 Å²	95	100.4 Å²	100.4	62%	0.617	56%	0.561	S	S	*	*			trans	-57.6	149.7	165.4	-22.5	34	0	0	0	112	E73	P71-E73 PolarHBondContact O-N 3.48Å
72	N	96.6	Very high	95.4	Very high	165 Å²	165	102 Å²	102	88%	0.882	57%	0.565	S	S	*	*	S	Bend	trans	-73.8	-14.2	178.2	-69	-41.2	0	0	0	113.4
73	E	97.3	Very high	95.4	Very high	163 Å²	163	99.5 Å²	99.5	76%	0.762	55%	0.554	S	S	*	*	S	Bend	trans	-132.3	151.2	-179	-63.7	-175.4	-179.3	0	0	109.6	P71	P71-E73 PolarHBondContact O-N 3.48Å
74	A	97.1	Very high	95.4	Very high	82 Å²	82	96.7 Å²	96.7	68%	0.678	53%	0.531	S	S	*	.			trans	-66.8	152.4	174.1	0	0	0	0	0	110.9
75	P	95.4	Very high	95.4	Very high	78 Å²	78	95.8 Å²	95.8	51%	0.506	51%	0.514	S	S	.	.			trans	-67.4	138.3	178.8	30.9	-36.7	0	0	0	110.5	E77 E79	P75-E77 WeakPolarHBondContact CB-O 3.5Å; P75-E79 HydrophobicContact CB-CG 4.19Å; P75-E79 HydrophobicContact CG-CG 4.45Å
76	N	95.5	Very high	95.4	Very high	153 Å²	153	97.4 Å²	97.4	82%	0.818	53%	0.527	S	S	*	.	S	Bend	trans	-78.9	-25.9	175.1	-72.3	-59.6	0	0	0	112.3
77	E	92.4	Very high	95.4	Very high	149 Å²	149	97.7 Å²	97.7	70%	0.696	53%	0.529	S	S	*	.	S	Bend	trans	-118.6	151.8	179.6	-62.1	-59.4	152.8	0	0	109.3	P75 E79	P75-E77 WeakPolarHBondContact CB-O 3.5Å; E77-E79 PolarHBondContact O-N 3.21Å
78	P	91.3	Very high	95.5	Very high	111 Å²	111	96 Å²	96	72%	0.721	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-61.6	137.4	177.1	24.9	-32.7	0	0	0	111.6
79	E	92.8	Very high	95.5	Very high	96 Å²	96	90.1 Å²	90.1	45%	0.449	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-92.2	157	171.8	-66.4	174.3	146.2	0	0	110.2	P75 E77	P75-E79 HydrophobicContact CB-CG 4.19Å; P75-E79 HydrophobicContact CG-CG 4.45Å; E77-E79 PolarHBondContact O-N 3.21Å
80	S	93.2	Very high	95.6	Very high	46 Å²	46	91.4 Å²	91.4	32%	0.322	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-69.1	152.9	-179.3	65	0	0	0	0	112	E82 E83 I84	S80-E82 PolarHBondContact O-N 3.44Å; S80-E83 WeakPolarHBondContact CB-OE2 3.3Å; S80-E83 PolarHBondContact N-OE2 2.88Å; S80-E83 PolarHBondContact O-N 2.98Å; S80-E83 WeakPolarHBondContact OG-CB 3.31Å; S80-E83 WeakPolarHBondContact OG-CG 3.18Å; S80-E83 PolarHBondContact OG-N 3.39Å; S80-E83 PolarHBondContact OG-OE2 3.38Å; S80-I84 WeakPolarHBondContact O-CG1 3.46Å; S80-I84 PolarHBondContact O-N 3.06Å; S80-I84 VanDerWaalsContact O-N 3.11Å
81	W	92.6	Very high	95.6	Very high	59 Å²	59	89.5 Å²	89.5	22%	0.223	48%	0.483	C	S	.	.	H	α-helix	trans	-58.6	-37	174.7	-178	-88.1	0	0	0	111.8	L29 Y37 M41 I84 M85	L29-W81 HydrophobicContact CD1-CE3 4.33Å; L29-W81 HydrophobicContact CD1-CZ3 4.23Å; Y37-W81 HydrophobicContact CD1-CB 3.8Å; Y37-W81 AromaticContact CD1-CD1 3.3Å; Y37-W81 AromaticContact CD1-CD2 3.73Å; Y37-W81 HydrophobicContact CD1-CD2 3.73Å; Y37-W81 AromaticContact CD1-CE2 3.98Å; Y37-W81 AromaticContact CD1-CG 3.29Å; Y37-W81 HydrophobicContact CD1-CG 3.29Å; Y37-W81 AromaticContact CD1-NE1 3.7Å; Y37-W81 HydrophobicContact CD2-CB 4.39Å; Y37-W81 HydrophobicContact CD2-CD2 4.18Å; Y37-W81 HydrophobicContact CD2-CE3 4.25Å; Y37-W81 HydrophobicContact CD2-CG 4.24Å; Y37-W81 HydrophobicContact CE1-CB 3.55Å; Y37-W81 AromaticContact CE1-CD1 3.74Å; Y37-W81 HydrophobicContact CE1-CD2 4.42Å; Y37-W81 AromaticContact CE1-CG 3.6Å; Y37-W81 HydrophobicContact CE1-CG 3.6Å; Y37-W81 HydrophobicContact CE2-CB 4.17Å; Y37-W81 HydrophobicContact CE2-CG 4.48Å; Y37-W81 HydrophobicContact CG-CB 4.24Å; Y37-W81 AromaticContact CG-CD2 3.61Å; Y37-W81 HydrophobicContact CG-CD2 3.61Å; Y37-W81 AromaticContact CG-CE2 3.95Å; Y37-W81 HydrophobicContact CG-CE3 4.04Å; Y37-W81 AromaticContact CG-CG 3.68Å; Y37-W81 HydrophobicContact CG-CG 3.68Å; M41-W81 HydrophobicContact CB-CZ2 4.45Å; M41-W81 HydrophobicContact CE-CH2 4.14Å; M41-W81 HydrophobicContact CE-CZ2 3.8Å; W81-I84 PolarHBondContact O-N 3.45Å; W81-M85 HydrophobicContact CZ2-CG 4.4Å; W81-M85 HydrophobicContact CZ2-SD 4.19Å; W81-M85 VanDerWaalsContact NE1-CG 3.34Å; W81-M85 WeakPolarHBondContact O-CB 3.39Å; W81-M85 WeakPolarHBondContact O-CG 3.23Å; W81-M85 PolarHBondContact O-N 3.46Å
82	E	95.2	Very high	95.7	Very high	82 Å²	82	88.2 Å²	88.2	38%	0.383	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-42.3	177	-72.3	68.5	-153.5	0	0	112.3	K40 S80 M85 N86	K40-E82 IonicContact NZ-OE1 2.85Å; K40-E82 PolarHBondContact NZ-OE1 3.48Å; K40-E82 VanDerWaalsContact NZ-OE1 3.14Å; S80-E82 PolarHBondContact O-N 3.44Å; E82-M85 PolarHBondContact O-N 3.24Å; E82-N86 WeakPolarHBondContact O-CB 3.43Å; E82-N86 PolarHBondContact O-N 3.43Å; E82-N86 PolarHBondContact O-ND2 2.92Å; E82-N86 VanDerWaalsContact O-ND2 3.12Å
83	E	96.2	Very high	95.8	Very high	101 Å²	101	81.5 Å²	81.5	47%	0.472	43%	0.434	S	S	.	.	H	α-helix	trans	-63.1	-47.5	174.5	-75.8	161.7	150	0	0	111.3	S80 M85 N86 D87	S80-E83 WeakPolarHBondContact CB-OE2 3.3Å; S80-E83 PolarHBondContact N-OE2 2.88Å; S80-E83 PolarHBondContact O-N 2.98Å; S80-E83 WeakPolarHBondContact OG-CB 3.31Å; S80-E83 WeakPolarHBondContact OG-CG 3.18Å; S80-E83 PolarHBondContact OG-N 3.39Å; S80-E83 PolarHBondContact OG-OE2 3.38Å; E83-M85 VanDerWaalsContact C-N 3.32Å; E83-M85 PolarHBondContact O-N 3.45Å; E83-N86 WeakPolarHBondContact O-CB 3.31Å; E83-N86 PolarHBondContact O-N 2.85Å; E83-N86 VanDerWaalsContact O-N 3.15Å; E83-D87 PolarHBondContact O-N 3.27Å
84	I	96.7	Very high	95.7	Very high	77 Å²	77	76.9 Å²	76.9	40%	0.395	42%	0.418	S	S	.	.	H	α-helix	trans	-57.1	-45.9	177.6	-65.1	166.3	0	0	0	110.9	S80 W81 D87 V88	S80-I84 WeakPolarHBondContact O-CG1 3.46Å; S80-I84 PolarHBondContact O-N 3.06Å; S80-I84 VanDerWaalsContact O-N 3.11Å; W81-I84 PolarHBondContact O-N 3.45Å; I84-D87 PolarHBondContact O-N 3.39Å; I84-V88 WeakPolarHBondContact O-CG2 3.17Å; I84-V88 PolarHBondContact O-N 3.26Å; I84-V88 VanDerWaalsContact O-N 3.1Å
85	M	97.2	Very high	95.7	Very high	30 Å²	30	73.9 Å²	73.9	15%	0.148	40%	0.395	C	S	.	.	H	α-helix	trans	-71.1	-32.4	179.5	-71.7	-56.2	-55.3	0	0	113.2	M41 Y44 W81 E82 E83 D87 V88 E89	M41-M85 HydrophobicContact CE-CE 3.97Å; M41-M85 HydrophobicContact CE-SD 3.42Å; M41-M85 WeakPolarHBondContact CE-SD 3.29Å; Y44-M85 HydrophobicContact CD1-CE 4.01Å; Y44-M85 HydrophobicContact CD2-CE 3.96Å; Y44-M85 HydrophobicContact CE1-CE 4.18Å; Y44-M85 HydrophobicContact CE2-CE 4.13Å; Y44-M85 HydrophobicContact CG-CE 3.89Å; W81-M85 HydrophobicContact CZ2-CG 4.4Å; W81-M85 HydrophobicContact CZ2-SD 4.19Å; W81-M85 VanDerWaalsContact NE1-CG 3.34Å; W81-M85 WeakPolarHBondContact O-CB 3.39Å; W81-M85 WeakPolarHBondContact O-CG 3.23Å; W81-M85 PolarHBondContact O-N 3.46Å; E82-M85 PolarHBondContact O-N 3.24Å; E83-M85 VanDerWaalsContact C-N 3.32Å; E83-M85 PolarHBondContact O-N 3.45Å; M85-D87 VanDerWaalsContact C-N 3.28Å; M85-D87 PolarHBondContact O-N 2.92Å; M85-V88 WeakPolarHBondContact O-CB 3.46Å; M85-V88 PolarHBondContact O-N 2.8Å; M85-V88 HydrophobicContact SD-CG2 4.44Å; M85-E89 PolarHBondContact O-N 3.49Å
86	N	97.5	Very high	95.8	Very high	95 Å²	95	72.1 Å²	72.1	51%	0.508	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-39.2	172.3	-73.8	-27.9	0	0	0	110.8	E82 E83 V88 E89 N90	E82-N86 WeakPolarHBondContact O-CB 3.43Å; E82-N86 PolarHBondContact O-N 3.43Å; E82-N86 PolarHBondContact O-ND2 2.92Å; E82-N86 VanDerWaalsContact O-ND2 3.12Å; E83-N86 WeakPolarHBondContact O-CB 3.31Å; E83-N86 PolarHBondContact O-N 2.85Å; E83-N86 VanDerWaalsContact O-N 3.15Å; N86-V88 VanDerWaalsContact C-N 3.35Å; N86-E89 PolarHBondContact O-N 3.03Å; N86-N90 VanDerWaalsContact O-CB 3.3Å; N86-N90 WeakPolarHBondContact O-CB 3.44Å; N86-N90 VanDerWaalsContact O-CG 3.29Å; N86-N90 PolarHBondContact O-N 3.11Å; N86-N90 PolarHBondContact O-ND2 3.23Å
87	D	97.8	Very high	95.9	Very high	54 Å²	54	66.5 Å²	66.5	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-32.2	177.2	-73.6	-5.2	0	0	0	112.4	E83 I84 M85 E89 M91 I92	E83-D87 PolarHBondContact O-N 3.27Å; I84-D87 PolarHBondContact O-N 3.39Å; M85-D87 VanDerWaalsContact C-N 3.28Å; M85-D87 PolarHBondContact O-N 2.92Å; D87-E89 PolarHBondContact O-N 3.45Å; D87-M91 HydrophobicContact CB-CG 4.4Å; D87-M91 HydrophobicContact CB-SD 4.18Å; D87-M91 WeakPolarHBondContact O-CA 3.21Å; D87-M91 VanDerWaalsContact O-CB 3.26Å; D87-M91 WeakPolarHBondContact O-CB 3.37Å; D87-M91 PolarHBondContact O-N 3.25Å; D87-M91 VanDerWaalsContact OD1-CE 3.25Å; D87-M91 WeakPolarHBondContact OD1-CE 3.4Å; D87-I92 PolarHBondContact O-N 3.18Å
88	V	97.7	Very high	96.2	Very high	37 Å²	37	59.8 Å²	59.8	22%	0.224	32%	0.323	C	S	.	.	I	π-helix	trans	-57	-49.4	171.4	172.2	0	0	0	0	110.8	Y44 I84 M85 N86 I92 M93	Y44-V88 HydrophobicContact CE1-CG1 4.38Å; I84-V88 WeakPolarHBondContact O-CG2 3.17Å; I84-V88 PolarHBondContact O-N 3.26Å; I84-V88 VanDerWaalsContact O-N 3.1Å; M85-V88 WeakPolarHBondContact O-CB 3.46Å; M85-V88 PolarHBondContact O-N 2.8Å; M85-V88 HydrophobicContact SD-CG2 4.44Å; N86-V88 VanDerWaalsContact C-N 3.35Å; V88-I92 WeakPolarHBondContact O-CB 3.43Å; V88-I92 PolarHBondContact O-N 3Å; V88-M93 HydrophobicContact CG1-CE 4.34Å; V88-M93 WeakPolarHBondContact O-CG 2.87Å; V88-M93 PolarHBondContact O-N 3.45Å
89	E	96.4	Very high	96.5	Very high	58 Å²	58	59.1 Å²	59.1	27%	0.271	31%	0.306	S	S	.	.	I	π-helix	trans	-74	-39.3	179.3	-78.6	-64.5	169.9	0	0	113.6	Y44 R55 M85 N86 D87 M93 P94	Y44-E89 HydrophobicContact CE2-CG 4.03Å; Y44-E89 WeakPolarHBondContact CE2-OE1 3.47Å; Y44-E89 PolarHBondContact OH-OE1 2.93Å; R55-E89 IonicContact CZ-OE1 3.24Å; R55-E89 IonicContact CZ-OE2 3.72Å; R55-E89 IonicContact NH1-OE1 2.83Å; R55-E89 IonicContact NH1-OE2 3.66Å; R55-E89 PolarHBondContact NH1-OE2 2.69Å; R55-E89 IonicContact NH2-OE1 3.43Å; R55-E89 PolarHBondContact NH2-OE1 3.06Å; R55-E89 IonicContact NH2-OE2 3.43Å; R55-E89 PolarHBondContact NH2-OE2 3Å; M85-E89 PolarHBondContact O-N 3.49Å; N86-E89 PolarHBondContact O-N 3.03Å; D87-E89 PolarHBondContact O-N 3.45Å; E89-M93 WeakPolarHBondContact OE2-CG 3.37Å; E89-P94 WeakPolarHBondContact O-CD 3.27Å
90	N	96.8	Very high	96.8	Very high	113 Å²	113	55.6 Å²	55.6	60%	0.604	29%	0.29	S	S	*	.	I	π-helix	trans	-85.8	-29	-172.2	-67.6	-43.4	0	0	0	113.8	N86	N86-N90 VanDerWaalsContact O-CB 3.3Å; N86-N90 WeakPolarHBondContact O-CB 3.44Å; N86-N90 VanDerWaalsContact O-CG 3.29Å; N86-N90 PolarHBondContact O-N 3.11Å; N86-N90 PolarHBondContact O-ND2 3.23Å
91	M	97.1	Very high	97	Very high	35 Å²	35	53.8 Å²	53.8	17%	0.172	28%	0.276	C	S	.	.	I	π-helix	trans	-115	-38.8	-173.4	-52.3	-173.2	-174.6	0	0	112.7	L66 L69 L70 D87	L66-M91 HydrophobicContact CD1-CB 3.97Å; L69-M91 HydrophobicContact CB-CB 4.48Å; L69-M91 HydrophobicContact CB-CG 4.15Å; L69-M91 HydrophobicContact CB-SD 3.96Å; L69-M91 HydrophobicContact CD1-CB 4.18Å; L69-M91 HydrophobicContact CD1-CG 4.31Å; L70-M91 HydrophobicContact CD2-SD 3.89Å; D87-M91 HydrophobicContact CB-CG 4.4Å; D87-M91 HydrophobicContact CB-SD 4.18Å; D87-M91 WeakPolarHBondContact O-CA 3.21Å; D87-M91 VanDerWaalsContact O-CB 3.26Å; D87-M91 WeakPolarHBondContact O-CB 3.37Å; D87-M91 PolarHBondContact O-N 3.25Å; D87-M91 VanDerWaalsContact OD1-CE 3.25Å; D87-M91 WeakPolarHBondContact OD1-CE 3.4Å
92	I	97.9	Very high	97.3	Very high	69 Å²	69	51.2 Å²	51.2	35%	0.354	27%	0.267	S	S	.	.	I	π-helix	trans	-86.5	-57.7	-176.1	-53.1	-59.5	0	0	0	111.6	L66 D87 V88 P94 G95 V96	L66-I92 HydrophobicContact CD1-CD1 4.03Å; L66-I92 HydrophobicContact CD2-CD1 4.03Å; D87-I92 PolarHBondContact O-N 3.18Å; V88-I92 WeakPolarHBondContact O-CB 3.43Å; V88-I92 PolarHBondContact O-N 3Å; I92-P94 VanDerWaalsContact C-N 3.33Å; I92-G95 PolarHBondContact O-N 3.33Å; I92-V96 HydrophobicContact CG2-CG2 4.11Å; I92-V96 PolarHBondContact O-N 2.83Å
93	M	97.5	Very high	97.4	Very high	23 Å²	23	48.7 Å²	48.7	11%	0.113	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-53.4	-37	-175.1	-74.5	-59.6	-179.2	0	0	114.9	Y44 Y48 V88 E89 G95 V96	Y44-M93 HydrophobicContact CE1-CE 3.97Å; Y44-M93 WeakPolarHBondContact OH-CE 3.46Å; Y48-M93 HydrophobicContact CD2-CE 4.13Å; Y48-M93 HydrophobicContact CE2-CE 4.21Å; Y48-M93 HydrophobicContact CE2-SD 4.23Å; V88-M93 HydrophobicContact CG1-CE 4.34Å; V88-M93 WeakPolarHBondContact O-CG 2.87Å; V88-M93 PolarHBondContact O-N 3.45Å; E89-M93 WeakPolarHBondContact OE2-CG 3.37Å; M93-G95 PolarHBondContact O-N 2.99Å; M93-G95 VanDerWaalsContact O-N 3.12Å; M93-V96 PolarHBondContact O-N 3.19Å; M93-V96 HydrophobicContact SD-CB 4.37Å; M93-V96 HydrophobicContact SD-CG2 4.05Å
94	P	96.2	Very high	97.5	Very high	66 Å²	66	43.9 Å²	43.9	43%	0.429	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62	-20.7	177.4	-26.6	37.5	0	0	0	114.6	P59 E89 I92	P59-P94 WeakPolarHBondContact CB-O 3.48Å; E89-P94 WeakPolarHBondContact O-CD 3.27Å; I92-P94 VanDerWaalsContact C-N 3.33Å
95	G	97.1	Very high	97.6	Very high	20 Å²	20	40.4 Å²	40.4	21%	0.206	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-107.4	9.6	175.1	0	0	0	0	0	114.6	Y65 I92 M93	Y65-G95 WeakPolarHBondContact OH-CA 3.34Å; I92-G95 PolarHBondContact O-N 3.33Å; M93-G95 PolarHBondContact O-N 2.99Å; M93-G95 VanDerWaalsContact O-N 3.12Å
96	V	97.7	Very high	97.7	Very high	40 Å²	40	39 Å²	39	24%	0.242	21%	0.208	C	C	.	.			trans	-82.8	124.9	175.6	172.8	0	0	0	0	109.6	I92 M93	I92-V96 HydrophobicContact CG2-CG2 4.11Å; I92-V96 PolarHBondContact O-N 2.83Å; M93-V96 PolarHBondContact O-N 3.19Å; M93-V96 HydrophobicContact SD-CB 4.37Å; M93-V96 HydrophobicContact SD-CG2 4.05Å
97	T	97.6	Very high	97.7	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.221	21%	0.206	C	C	.	.			trans	-75.7	119.7	159.3	-54.9	0	0	0	0	108.5	F58 P59 W99 F104	F58-T97 HydrophobicContact CD2-CG2 3.96Å; P59-T97 WeakPolarHBondContact CD-OG1 3.14Å; T97-W99 VanDerWaalsContact O-CD1 3.22Å; T97-W99 PolarHBondContact O-N 3.5Å; T97-F104 HydrophobicContact CG2-CD2 4.13Å; T97-F104 HydrophobicContact CG2-CE2 3.78Å
98	H	97.8	Very high	97.7	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.037	20%	0.195	C	C	.	.			trans	-82.8	82.6	-174.8	-62.5	-65.4	0	0	0	111.2	Y48 I52 R55 R56 V57 Q100 H101	Y48-H98 AromaticContact CE2-CE1 3.75Å; Y48-H98 AromaticContact CE2-ND1 3.47Å; Y48-H98 WeakPolarHBondContact CE2-ND1 3.49Å; Y48-H98 AromaticContact CZ-ND1 3.6Å; Y48-H98 PolarHBondContact OH-ND1 3.08Å; I52-H98 HydrophobicContact CD1-CB 4.14Å; I52-H98 HydrophobicContact CG1-CB 4.21Å; R55-H98 VanDerWaalsContact CD-CE1 3.46Å; R55-H98 WeakPolarHBondContact CD-CE1 3.35Å; R56-H98 PolarHBondContact O-CD2 3.24Å; R56-H98 VanDerWaalsContact O-CD2 3.23Å; V57-H98 PolarHBondContact O-N 2.84Å; H98-Q100 PolarHBondContact O-N 3.29Å; H98-H101 HydrophobicContact CB-CB 3.95Å; H98-H101 WeakPolarHBondContact O-CB 3.32Å; H98-H101 PolarHBondContact O-N 3.35Å
99	W	98.2	Very high	97.8	Very high	97 Å²	97	36.6 Å²	36.6	37%	0.367	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.6	-178.6	-77.8	75.9	0	0	0	114.9	T97 F104 Y107 C110	T97-W99 VanDerWaalsContact O-CD1 3.22Å; T97-W99 PolarHBondContact O-N 3.5Å; W99-F104 HydrophobicContact CD2-CE1 4.04Å; W99-F104 AromaticContact CD2-CE2 3.87Å; W99-F104 HydrophobicContact CD2-CE2 3.87Å; W99-F104 AromaticContact CD2-CZ 3.4Å; W99-F104 HydrophobicContact CD2-CZ 3.4Å; W99-F104 VanDerWaalsContact CD2-CZ 3.4Å; W99-F104 AromaticContact CE2-CZ 3.83Å; W99-F104 AromaticContact CE3-CE1 3.54Å; W99-F104 HydrophobicContact CE3-CE1 3.54Å; W99-F104 HydrophobicContact CE3-CE2 4.21Å; W99-F104 AromaticContact CE3-CZ 3.29Å; W99-F104 HydrophobicContact CE3-CZ 3.29Å; W99-F104 HydrophobicContact CG-CE2 4.04Å; W99-F104 HydrophobicContact CG-CZ 4Å; W99-F104 HydrophobicContact CH2-CZ 4.05Å; W99-F104 HydrophobicContact CZ2-CZ 4.13Å; W99-F104 AromaticContact CZ3-CE1 3.94Å; W99-F104 HydrophobicContact CZ3-CE1 3.94Å; W99-F104 AromaticContact CZ3-CZ 3.64Å; W99-F104 HydrophobicContact CZ3-CZ 3.64Å; W99-Y107 AromaticContact CH2-CD2 3.34Å; W99-Y107 HydrophobicContact CH2-CD2 3.34Å; W99-Y107 AromaticContact CH2-CE2 3.97Å; W99-Y107 HydrophobicContact CH2-CE2 3.97Å; W99-Y107 HydrophobicContact CH2-CG 4.02Å; W99-Y107 AromaticContact CZ2-CD2 3.8Å; W99-Y107 HydrophobicContact CZ2-CD2 3.8Å; W99-Y107 AromaticContact CZ2-CE2 3.97Å; W99-Y107 HydrophobicContact CZ2-CE2 3.97Å; W99-Y107 HydrophobicContact CZ3-CD2 4.04Å; W99-C110 HydrophobicContact CE3-CB 3.86Å; W99-C110 HydrophobicContact CZ3-CB 4.36Å
100	Q	98.1	Very high	97.8	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.103	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	9.1	179.3	-52.2	-53.9	-49.2	0	0	112.6	L49 I52 H98 C110 C112 Y479	L49-Q100 HydrophobicContact CD2-CB 3.99Å; L49-Q100 HydrophobicContact CD2-CG 4.19Å; I52-Q100 HydrophobicContact CD1-CB 3.77Å; H98-Q100 PolarHBondContact O-N 3.29Å; Q100-C110 PolarHBondContact NE2-O 3.43Å; Q100-C112 HydrophobicContact CG-CB 3.99Å; Q100-Y479 WeakPolarHBondContact O-CD2 3.38Å; Q100-Y479 WeakPolarHBondContact O-CE2 3.48Å
101	H	98.3	Very high	97.8	Very high	7 Å²	7	30.2 Å²	30.2	3%	0.032	16%	0.156	C	C	.	.	S	Bend	trans	-73.2	141.4	179	-172	-81.4	0	0	0	111	I52 R55 V57 H98 H103 F104	I52-H101 HydrophobicContact CG1-CB 4.32Å; I52-H101 PolarHBondContact O-CD2 2.84Å; R55-H101 PolarHBondContact O-CD2 3.01Å; R55-H101 PolarHBondContact O-NE2 2.9Å; V57-H101 HydrophobicContact CB-CB 4.21Å; V57-H101 HydrophobicContact CG2-CB 3.89Å; H98-H101 HydrophobicContact CB-CB 3.95Å; H98-H101 WeakPolarHBondContact O-CB 3.32Å; H98-H101 PolarHBondContact O-N 3.35Å; H101-H103 AromaticContact CE1-CD2 3.61Å; H101-H103 AromaticContact CE1-CG 3.92Å; H101-H103 WeakPolarHBondContact ND1-CB 3.4Å; H101-H103 PolarHBondContact ND1-N 3.04Å; H101-H103 PolarHBondContact O-N 2.93Å; H101-H103 VanDerWaalsContact O-N 3.08Å; H101-F104 HydrophobicContact CB-CB 4.29Å; H101-F104 WeakPolarHBondContact O-CB 3.31Å; H101-F104 PolarHBondContact O-N 3.08Å
102	P	98	Very high	97.8	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.039	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31	177.6	-29.5	35.1	0	0	0	115.3	D53 Y479	D53-P102 HydrophobicContact CB-CG 4.32Å; P102-Y479 HydrophobicContact CB-CD1 4.07Å; P102-Y479 HydrophobicContact CB-CE1 4.32Å; P102-Y479 HydrophobicContact CB-CG 4.26Å; P102-Y479 HydrophobicContact CG-CD1 4.11Å; P102-Y479 HydrophobicContact CG-CD2 4.27Å; P102-Y479 HydrophobicContact CG-CE1 3.92Å; P102-Y479 HydrophobicContact CG-CE2 4.07Å; P102-Y479 HydrophobicContact CG-CG 4.29Å
103	H	98.3	Very high	97.8	Very high	28 Å²	28	26.6 Å²	26.6	13%	0.13	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	16.8	179.6	-53.9	-42.5	0	0	0	114.9	H101 R456 I457 H458 Y489	H101-H103 AromaticContact CE1-CD2 3.61Å; H101-H103 AromaticContact CE1-CG 3.92Å; H101-H103 WeakPolarHBondContact ND1-CB 3.4Å; H101-H103 PolarHBondContact ND1-N 3.04Å; H101-H103 PolarHBondContact O-N 2.93Å; H101-H103 VanDerWaalsContact O-N 3.08Å; H103-R456 WeakPolarHBondContact CB-O 3.49Å; H103-I457 HydrophobicContact CB-CB 4.21Å; H103-I457 HydrophobicContact CB-CG2 3.89Å; H103-I457 WeakPolarHBondContact O-CA 3.49Å; H103-H458 PolarHBondContact O-N 3.05Å; H103-Y489 AromaticContact CD2-CD1 3.78Å; H103-Y489 AromaticContact CD2-CE1 3.64Å; H103-Y489 AromaticContact CE1-CD1 3.24Å; H103-Y489 WeakPolarHBondContact CE1-CD1 3.5Å; H103-Y489 AromaticContact CE1-CE1 3.91Å; H103-Y489 AromaticContact CE1-CG 3.92Å; H103-Y489 AromaticContact ND1-CD1 3.72Å; H103-Y489 AromaticContact NE2-CD1 3.27Å; H103-Y489 VanDerWaalsContact NE2-CD1 3.27Å; H103-Y489 WeakPolarHBondContact NE2-CD1 3.32Å; H103-Y489 AromaticContact NE2-CE1 3.48Å; H103-Y489 WeakPolarHBondContact NE2-CE1 3.48Å
104	F	98.6	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-82.5	117.3	164.2	-176.8	-84	0	0	0	109	V57 T97 W99 H101 A106 Y107 H458 C478	V57-F104 HydrophobicContact CG2-CB 3.79Å; V57-F104 HydrophobicContact CG2-CD2 4.1Å; V57-F104 HydrophobicContact CG2-CG 4.45Å; T97-F104 HydrophobicContact CG2-CD2 4.13Å; T97-F104 HydrophobicContact CG2-CE2 3.78Å; W99-F104 HydrophobicContact CD2-CE1 4.04Å; W99-F104 AromaticContact CD2-CE2 3.87Å; W99-F104 HydrophobicContact CD2-CE2 3.87Å; W99-F104 AromaticContact CD2-CZ 3.4Å; W99-F104 HydrophobicContact CD2-CZ 3.4Å; W99-F104 VanDerWaalsContact CD2-CZ 3.4Å; W99-F104 AromaticContact CE2-CZ 3.83Å; W99-F104 AromaticContact CE3-CE1 3.54Å; W99-F104 HydrophobicContact CE3-CE1 3.54Å; W99-F104 HydrophobicContact CE3-CE2 4.21Å; W99-F104 AromaticContact CE3-CZ 3.29Å; W99-F104 HydrophobicContact CE3-CZ 3.29Å; W99-F104 HydrophobicContact CG-CE2 4.04Å; W99-F104 HydrophobicContact CG-CZ 4Å; W99-F104 HydrophobicContact CH2-CZ 4.05Å; W99-F104 HydrophobicContact CZ2-CZ 4.13Å; W99-F104 AromaticContact CZ3-CE1 3.94Å; W99-F104 HydrophobicContact CZ3-CE1 3.94Å; W99-F104 AromaticContact CZ3-CZ 3.64Å; W99-F104 HydrophobicContact CZ3-CZ 3.64Å; H101-F104 HydrophobicContact CB-CB 4.29Å; H101-F104 WeakPolarHBondContact O-CB 3.31Å; H101-F104 PolarHBondContact O-N 3.08Å; F104-A106 HydrophobicContact CE1-CB 4.16Å; F104-A106 VanDerWaalsContact CE1-O 3.23Å; F104-A106 WeakPolarHBondContact CE1-O 3.4Å; F104-A106 HydrophobicContact CE2-CB 4.07Å; F104-A106 HydrophobicContact CZ-CB 3.8Å; F104-Y107 HydrophobicContact CZ-CD2 4.06Å; F104-H458 AromaticContact CD2-CD2 3.84Å; F104-H458 AromaticContact CE2-CD2 3.66Å; F104-C478 HydrophobicContact CD1-CB 3.81Å; F104-C478 HydrophobicContact CE1-CB 4.42Å; F104-C478 VanDerWaalsContact O-CB 3.31Å; F104-C478 WeakPolarHBondContact O-CB 3.47Å
105	H	98.6	Very high	97.8	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	14%	0.141	C	C	.	.			trans	-131.5	13.9	-178.1	-64.4	-64.2	0	0	0	112.4	H458 L459 F475 A476	H105-H458 CarbonylContact C-O 3.51Å; H105-H458 WeakPolarHBondContact CA-O 3.35Å; H105-H458 WeakPolarHBondContact CB-O 3.25Å; H105-H458 PolarHBondContact N-O 3.34Å; H105-L459 HydrophobicContact CB-CD2 3.42Å; H105-L459 VanDerWaalsContact CB-CD2 3.42Å; H105-F475 HydrophobicContact CB-CD2 3.97Å; H105-F475 HydrophobicContact CB-CE2 4.02Å; H105-F475 AromaticContact CD2-CE2 3.38Å; H105-F475 WeakPolarHBondContact CD2-CE2 3.46Å; H105-F475 AromaticContact CD2-CZ 3.84Å; H105-F475 AromaticContact CE1-CE2 3.77Å; H105-F475 AromaticContact CE1-CZ 3.38Å; H105-F475 WeakPolarHBondContact CE1-CZ 3.36Å; H105-F475 AromaticContact CG-CD2 3.89Å; H105-F475 AromaticContact CG-CE2 3.42Å; H105-F475 VanDerWaalsContact CG-CE2 3.42Å; H105-F475 AromaticContact CG-CZ 3.78Å; H105-F475 AromaticContact ND1-CE1 3.98Å; H105-F475 AromaticContact ND1-CE2 3.66Å; H105-F475 AromaticContact ND1-CZ 3.49Å; H105-F475 WeakPolarHBondContact ND1-CZ 3.27Å; H105-F475 AromaticContact NE2-CE2 3.61Å; H105-F475 AromaticContact NE2-CZ 3.58Å; H105-A476 WeakPolarHBondContact CA-O 3.49Å; H105-A476 WeakPolarHBondContact CB-O 3.42Å; H105-A476 PolarHBondContact ND1-O 3.01Å; H105-A476 PolarHBondContact O-N 3.35Å
106	A	98.1	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-82.1	157.9	-179.4	0	0	0	0	0	112.8	F104 F108 H458 V460	F104-A106 HydrophobicContact CE1-CB 4.16Å; F104-A106 VanDerWaalsContact CE1-O 3.23Å; F104-A106 WeakPolarHBondContact CE1-O 3.4Å; F104-A106 HydrophobicContact CE2-CB 4.07Å; F104-A106 HydrophobicContact CZ-CB 3.8Å; A106-F108 PolarHBondContact O-N 2.7Å; A106-F108 VanDerWaalsContact O-N 3.16Å; A106-H458 WeakPolarHBondContact CB-CD2 3.27Å; A106-H458 PolarHBondContact N-O 2.96Å; A106-V460 HydrophobicContact CB-CG1 3.74Å; A106-V460 HydrophobicContact CB-CG2 4.39Å
107	Y	98.2	Very high	97.9	Very high	122 Å²	122	27.9 Å²	27.9	48%	0.478	13%	0.13	S	C	.	.	S	Bend	trans	52.8	-115.2	175.9	-49	-69.5	0	0	0	113.5	W99 F104 V460 R474	W99-Y107 AromaticContact CH2-CD2 3.34Å; W99-Y107 HydrophobicContact CH2-CD2 3.34Å; W99-Y107 AromaticContact CH2-CE2 3.97Å; W99-Y107 HydrophobicContact CH2-CE2 3.97Å; W99-Y107 HydrophobicContact CH2-CG 4.02Å; W99-Y107 AromaticContact CZ2-CD2 3.8Å; W99-Y107 HydrophobicContact CZ2-CD2 3.8Å; W99-Y107 AromaticContact CZ2-CE2 3.97Å; W99-Y107 HydrophobicContact CZ2-CE2 3.97Å; W99-Y107 HydrophobicContact CZ3-CD2 4.04Å; F104-Y107 HydrophobicContact CZ-CD2 4.06Å; Y107-V460 HydrophobicContact CD1-CG1 4.25Å; Y107-V460 HydrophobicContact CD1-CG2 4.41Å; Y107-V460 HydrophobicContact CE1-CG1 3.9Å; Y107-V460 HydrophobicContact CE2-CG1 4.33Å; Y107-V460 VanDerWaalsContact N-CG2 3.34Å; Y107-R474 VanDerWaalsContact O-CZ 3.29Å; Y107-R474 PolarHBondContact O-NH1 2.94Å; Y107-R474 PolarHBondContact O-NH2 3.44Å
108	F	98.4	Very high	98	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.048	14%	0.142	C	C	.	.	S	Bend	trans	-140.1	159.7	168.9	-83.5	-51.1	0	0	0	106.8	A106 C275 Y300 K329 L432	A106-F108 PolarHBondContact O-N 2.7Å; A106-F108 VanDerWaalsContact O-N 3.16Å; F108-C275 HydrophobicContact CZ-CB 4.48Å; F108-Y300 HydrophobicContact CB-CD2 4.13Å; F108-Y300 HydrophobicContact CB-CG 4.49Å; F108-Y300 AromaticContact CD1-CD1 3.68Å; F108-Y300 HydrophobicContact CD1-CD1 3.68Å; F108-Y300 AromaticContact CD1-CD2 3.59Å; F108-Y300 HydrophobicContact CD1-CD2 3.59Å; F108-Y300 AromaticContact CD1-CE1 3.84Å; F108-Y300 HydrophobicContact CD1-CE1 3.84Å; F108-Y300 AromaticContact CD1-CE2 3.76Å; F108-Y300 HydrophobicContact CD1-CE2 3.76Å; F108-Y300 AromaticContact CD1-CG 3.55Å; F108-Y300 HydrophobicContact CD1-CG 3.55Å; F108-Y300 AromaticContact CD1-CZ 3.89Å; F108-Y300 HydrophobicContact CD2-CD2 4.5Å; F108-Y300 HydrophobicContact CD2-CG 4.03Å; F108-Y300 AromaticContact CE1-CD1 3.23Å; F108-Y300 HydrophobicContact CE1-CD1 3.23Å; F108-Y300 HydrophobicContact CE1-CD2 4.06Å; F108-Y300 AromaticContact CE1-CE1 3.39Å; F108-Y300 HydrophobicContact CE1-CE1 3.39Å; F108-Y300 HydrophobicContact CE1-CE2 4.2Å; F108-Y300 AromaticContact CE1-CG 3.59Å; F108-Y300 HydrophobicContact CE1-CG 3.59Å; F108-Y300 AromaticContact CE1-CZ 3.89Å; F108-Y300 HydrophobicContact CE2-CD1 4.1Å; F108-Y300 HydrophobicContact CE2-CG 4.03Å; F108-Y300 HydrophobicContact CG-CD1 4.31Å; F108-Y300 AromaticContact CG-CD2 3.85Å; F108-Y300 HydrophobicContact CG-CD2 3.85Å; F108-Y300 HydrophobicContact CG-CE2 4.42Å; F108-Y300 AromaticContact CG-CG 3.78Å; F108-Y300 HydrophobicContact CG-CG 3.78Å; F108-Y300 AromaticContact CZ-CD1 3.47Å; F108-Y300 HydrophobicContact CZ-CD1 3.47Å; F108-Y300 VanDerWaalsContact CZ-CD1 3.47Å; F108-Y300 HydrophobicContact CZ-CE1 4.05Å; F108-Y300 AromaticContact CZ-CG 3.83Å; F108-Y300 HydrophobicContact CZ-CG 3.83Å; F108-K329 HydrophobicContact CB-CD 4.4Å; F108-L432 HydrophobicContact CE1-CB 4.15Å; F108-L432 HydrophobicContact CE1-CD2 4.08Å; F108-L432 HydrophobicContact CZ-CD2 4.17Å
109	P	98.1	Very high	98	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.019	14%	0.141	C	C	.	.			trans	-54.7	147.3	178	17.6	-29.3	0	0	0	112.7	Y300 K329 W330 C478	P109-Y300 HydrophobicContact CG-CD2 4.29Å; P109-Y300 HydrophobicContact CG-CE2 3.83Å; P109-K329 CarbonylContact C-O 3.54Å; P109-K329 WeakPolarHBondContact CB-O 3.42Å; P109-K329 CarbonylContact O-C 3.41Å; P109-K329 WeakPolarHBondContact O-CA 3.5Å; P109-K329 WeakPolarHBondContact O-CB 3.23Å; P109-K329 VanDerWaalsContact O-O 3.09Å; P109-W330 HydrophobicContact CG-CB 4.12Å; P109-W330 HydrophobicContact CG-CG 3.98Å; P109-C478 HydrophobicContact CB-CB 4.18Å
110	C	97.6	Very high	98	Very high	35 Å²	35	25.6 Å²	25.6	24%	0.236	13%	0.129	C	C	.	.			trans	-107.9	117	160.8	-174.4	0	0	0	0	106.9	W99 Q100	W99-C110 HydrophobicContact CE3-CB 3.86Å; W99-C110 HydrophobicContact CZ3-CB 4.36Å; Q100-C110 PolarHBondContact NE2-O 3.43Å
111	G	96.1	Very high	98	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	14%	0.144	C	C	.	.			trans	-59.4	138.3	-177.2	0	0	0	0	0	111	H328 K329 I333 N334	G111-H328 PolarHBondContact N-O 3.43Å; G111-K329 PolarHBondContact N-O 2.94Å; G111-I333 CarbonylContact C-O 3.53Å; G111-I333 WeakPolarHBondContact CA-O 3.23Å; G111-I333 CarbonylContact O-C 3.6Å; G111-I333 VanDerWaalsContact O-O 3.06Å; G111-N334 WeakPolarHBondContact O-CA 3.4Å
112	C	96.7	Very high	98	Very high	17 Å²	17	31.7 Å²	31.7	12%	0.115	16%	0.161	C	C	.	.			trans	-146.3	136	173	-171	0	0	0	0	109.3	Q100 N334	Q100-C112 HydrophobicContact CG-CB 3.99Å; C112-N334 WeakPolarHBondContact CA-OD1 3.21Å
113	S	97.8	Very high	98	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	16%	0.162	C	C	.	.			trans	-153	149.6	167.5	64.4	0	0	0	0	112.1	T115 S116 I117 L332 N334 Y393	S113-T115 PolarHBondContact O-N 3.5Å; S113-T115 VanDerWaalsContact O-N 3.14Å; S113-S116 PolarHBondContact O-N 3.39Å; S113-S116 WeakPolarHBondContact OG-CB 3.44Å; S113-S116 PolarHBondContact OG-N 2.89Å; S113-S116 VanDerWaalsContact OG-N 3.11Å; S113-I117 WeakPolarHBondContact O-CG1 3.38Å; S113-I117 PolarHBondContact O-N 2.82Å; S113-L332 WeakPolarHBondContact CB-O 3.46Å; S113-L332 PolarHBondContact OG-O 3.14Å; S113-N334 PolarHBondContact N-OD1 3.08Å; S113-N334 VanDerWaalsContact N-OD1 3.1Å; S113-Y393 VanDerWaalsContact CB-OH 3.24Å; S113-Y393 WeakPolarHBondContact CB-OH 3.41Å
114	Y	97.6	Very high	98	Very high	115 Å²	115	35.4 Å²	35.4	45%	0.451	18%	0.182	S	C	.	.	H	α-helix	trans	-52.7	-36.1	170.5	-59.5	-49.8	0	0	0	112.1	L49 I117 C118	L49-Y114 HydrophobicContact CB-CE1 4.42Å; L49-Y114 HydrophobicContact CD1-CD1 4.33Å; L49-Y114 HydrophobicContact CD1-CE1 3.63Å; Y114-I117 HydrophobicContact CD1-CD1 4.46Å; Y114-I117 PolarHBondContact O-N 3.32Å; Y114-C118 WeakPolarHBondContact O-CB 3.5Å; Y114-C118 PolarHBondContact O-N 3.27Å; Y114-C118 PolarHBondContact O-SG 3.48Å
115	T	98.1	Very high	97.9	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.117	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-46.6	176.4	-55.6	0	0	0	0	112.1	S113 A119 F388 R392 Y393	S113-T115 PolarHBondContact O-N 3.5Å; S113-T115 VanDerWaalsContact O-N 3.14Å; T115-A119 PolarHBondContact O-N 2.9Å; T115-F388 VanDerWaalsContact CG2-C 3.44Å; T115-F388 HydrophobicContact CG2-CB 3.75Å; T115-F388 WeakPolarHBondContact CG2-O 3.25Å; T115-R392 HydrophobicContact CG2-CB 3.69Å; T115-R392 HydrophobicContact CG2-CG 4.07Å; T115-R392 WeakPolarHBondContact OG1-CG 3.22Å; T115-Y393 HydrophobicContact CG2-CE2 4.39Å; T115-Y393 PolarHBondContact OG1-OH 2.98Å; T115-Y393 VanDerWaalsContact OG1-OH 3.07Å
116	S	98.4	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-36.7	178.2	-176.9	0	0	0	0	111.7	S113 A119 D120 N334 K385	S113-S116 PolarHBondContact O-N 3.39Å; S113-S116 WeakPolarHBondContact OG-CB 3.44Å; S113-S116 PolarHBondContact OG-N 2.89Å; S113-S116 VanDerWaalsContact OG-N 3.11Å; S116-A119 WeakPolarHBondContact O-CB 3.49Å; S116-A119 PolarHBondContact O-N 2.59Å; S116-D120 PolarHBondContact O-N 3.15Å; S116-N334 VanDerWaalsContact CB-OD1 3.24Å; S116-N334 WeakPolarHBondContact CB-OD1 3.26Å; S116-N334 WeakPolarHBondContact OG-CB 3.39Å; S116-N334 PolarHBondContact OG-N 3.2Å; S116-N334 PolarHBondContact OG-OD1 3.23Å; S116-K385 WeakPolarHBondContact OG-CB 3.32Å
117	I	98.3	Very high	97.7	Very high	42 Å²	42	46.8 Å²	46.8	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-48.9	174.5	-66.4	166.3	0	0	0	110.3	V45 L49 S113 Y114 A119 D120 I121	V45-I117 HydrophobicContact CG1-CD1 4.2Å; L49-I117 HydrophobicContact CD1-CD1 4.35Å; S113-I117 WeakPolarHBondContact O-CG1 3.38Å; S113-I117 PolarHBondContact O-N 2.82Å; Y114-I117 HydrophobicContact CD1-CD1 4.46Å; Y114-I117 PolarHBondContact O-N 3.32Å; I117-A119 PolarHBondContact O-N 3.3Å; I117-D120 PolarHBondContact O-N 3Å; I117-D120 VanDerWaalsContact O-N 3.12Å; I117-I121 HydrophobicContact CG2-CD1 4.23Å; I117-I121 WeakPolarHBondContact O-CG1 3.33Å; I117-I121 PolarHBondContact O-N 3.46Å
118	C	98.4	Very high	97.6	Very high	71 Å²	71	42.2 Å²	42.2	48%	0.48	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-34.9	176.7	-71.5	0	0	0	0	112.9	Y114 L122	Y114-C118 WeakPolarHBondContact O-CB 3.5Å; Y114-C118 PolarHBondContact O-N 3.27Å; Y114-C118 PolarHBondContact O-SG 3.48Å; C118-L122 PolarHBondContact O-N 3.24Å
119	A	98.5	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.6	-38.8	176.9	0	0	0	0	0	112.5	T115 S116 I117 L122 A123 L384 K385 F388	T115-A119 PolarHBondContact O-N 2.9Å; S116-A119 WeakPolarHBondContact O-CB 3.49Å; S116-A119 PolarHBondContact O-N 2.59Å; I117-A119 PolarHBondContact O-N 3.3Å; A119-L122 PolarHBondContact O-N 2.83Å; A119-A123 PolarHBondContact O-N 2.86Å; A119-L384 HydrophobicContact CB-CB 4.39Å; A119-K385 HydrophobicContact CB-CB 3.77Å; A119-F388 HydrophobicContact CB-CB 3.88Å; A119-F388 HydrophobicContact CB-CD1 4.24Å; A119-F388 HydrophobicContact CB-CD2 3.56Å; A119-F388 HydrophobicContact CB-CE2 4.11Å; A119-F388 HydrophobicContact CB-CG 3.64Å
120	D	98.3	Very high	97.2	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-36.3	175	-82	-15.2	0	0	0	110.9	S116 I117 L122 A123 D124 K385	S116-D120 PolarHBondContact O-N 3.15Å; I117-D120 PolarHBondContact O-N 3Å; I117-D120 VanDerWaalsContact O-N 3.12Å; D120-L122 VanDerWaalsContact C-N 3.28Å; D120-L122 PolarHBondContact O-N 3.18Å; D120-A123 PolarHBondContact O-N 3.21Å; D120-A123 VanDerWaalsContact O-N 3.12Å; D120-D124 WeakPolarHBondContact O-CB 3.2Å; D120-D124 VanDerWaalsContact O-CG 3.23Å; D120-D124 PolarHBondContact O-N 2.73Å; D120-K385 WeakPolarHBondContact OD1-CD 3.33Å; D120-K385 IonicContact OD1-NZ 3.37Å; D120-K385 IonicContact OD2-NZ 2.69Å; D120-K385 PolarHBondContact OD2-NZ 2.86Å
121	I	97.9	Very high	97	Very high	80 Å²	80	46.5 Å²	46.5	41%	0.41	27%	0.27	S	S	.	.	H	α-helix	trans	-55.3	-44.2	169.8	-66.7	170.3	0	0	0	111	I42 I117 G125	I42-I121 HydrophobicContact CD1-CD1 4.44Å; I42-I121 HydrophobicContact CG1-CD1 4.37Å; I117-I121 HydrophobicContact CG2-CD1 4.23Å; I117-I121 WeakPolarHBondContact O-CG1 3.33Å; I117-I121 PolarHBondContact O-N 3.46Å; I121-G125 PolarHBondContact O-N 2.94Å
122	L	98.2	Very high	96.9	Very high	76 Å²	76	46.5 Å²	46.5	40%	0.398	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-42.7	176.7	177.7	62.3	0	0	0	111.9	C118 A119 D120 D124 G125 I126 L384 F388	C118-L122 PolarHBondContact O-N 3.24Å; A119-L122 PolarHBondContact O-N 2.83Å; D120-L122 VanDerWaalsContact C-N 3.28Å; D120-L122 PolarHBondContact O-N 3.18Å; L122-D124 VanDerWaalsContact C-N 3.33Å; L122-D124 PolarHBondContact O-N 3.49Å; L122-G125 PolarHBondContact O-N 3.39Å; L122-I126 HydrophobicContact CD1-CD1 4.01Å; L122-I126 HydrophobicContact CD1-CG1 4.23Å; L122-I126 HydrophobicContact CG-CD1 3.99Å; L122-I126 VanDerWaalsContact O-CG1 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.4Å; L122-I126 PolarHBondContact O-N 3.03Å; L122-L384 HydrophobicContact CD2-CD1 4.27Å; L122-L384 HydrophobicContact CD2-CD2 4.27Å; L122-L384 HydrophobicContact CG-CD1 4.21Å; L122-F388 HydrophobicContact CD2-CE1 4.29Å; L122-F388 HydrophobicContact CD2-CZ 3.71Å
123	A	98.1	Very high	96.8	Very high	7 Å²	7	47.8 Å²	47.8	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-43.4	179.3	0	0	0	0	0	111.4	A119 D120 I126 S127 F381 L384	A119-A123 PolarHBondContact O-N 2.86Å; D120-A123 PolarHBondContact O-N 3.21Å; D120-A123 VanDerWaalsContact O-N 3.12Å; A123-I126 PolarHBondContact O-N 3.34Å; A123-S127 PolarHBondContact O-N 3.37Å; A123-F381 HydrophobicContact CB-CB 4.36Å; A123-L384 HydrophobicContact CB-CD1 3.92Å
124	D	97.5	Very high	96.7	Very high	105 Å²	105	50.4 Å²	50.4	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-70.7	-37.6	179.1	-66.4	-17.5	0	0	0	111.1	D120 L122 S127	D120-D124 WeakPolarHBondContact O-CB 3.2Å; D120-D124 VanDerWaalsContact O-CG 3.23Å; D120-D124 PolarHBondContact O-N 2.73Å; L122-D124 VanDerWaalsContact C-N 3.33Å; L122-D124 PolarHBondContact O-N 3.49Å; D124-S127 WeakPolarHBondContact O-CA 3.34Å; D124-S127 WeakPolarHBondContact O-CB 3.46Å; D124-S127 PolarHBondContact O-N 3.15Å; D124-S127 VanDerWaalsContact O-N 3.16Å
125	G	96.8	Very high	96.6	Very high	68 Å²	68	46.9 Å²	46.9	70%	0.701	28%	0.279	S	S	*	.	H	α-helix	trans	-65.7	-34.7	172.9	0	0	0	0	0	114	I121 L122 S127	I121-G125 PolarHBondContact O-N 2.94Å; L122-G125 PolarHBondContact O-N 3.39Å; G125-S127 VanDerWaalsContact C-N 3.33Å
126	I	97.5	Very high	96.5	Very high	77 Å²	77	47.1 Å²	47.1	40%	0.395	28%	0.28	S	S	.	.	H	α-helix	trans	-70.1	-33.3	171.8	-69.1	168	0	0	0	110.7	L122 A123 S128 F381 L384	L122-I126 HydrophobicContact CD1-CD1 4.01Å; L122-I126 HydrophobicContact CD1-CG1 4.23Å; L122-I126 HydrophobicContact CG-CD1 3.99Å; L122-I126 VanDerWaalsContact O-CG1 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.4Å; L122-I126 PolarHBondContact O-N 3.03Å; A123-I126 PolarHBondContact O-N 3.34Å; I126-S128 PolarHBondContact O-N 3.28Å; I126-F381 HydrophobicContact CD1-CD1 4.29Å; I126-F381 HydrophobicContact CD1-CE1 4.44Å; I126-L384 HydrophobicContact CD1-CD1 4.3Å
127	S	95.8	Very high	96.4	Very high	99 Å²	99	49.5 Å²	49.5	69%	0.692	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	35.9	175.9	-170.8	0	0	0	0	114.7	A123 D124 G125	A123-S127 PolarHBondContact O-N 3.37Å; D124-S127 WeakPolarHBondContact O-CA 3.34Å; D124-S127 WeakPolarHBondContact O-CB 3.46Å; D124-S127 PolarHBondContact O-N 3.15Å; D124-S127 VanDerWaalsContact O-N 3.16Å; G125-S127 VanDerWaalsContact C-N 3.33Å
128	S	94.9	Very high	96.3	Very high	25 Å²	25	50 Å²	50	18%	0.175	31%	0.305	C	S	.	.			trans	-96.3	153.4	-177.3	67.9	0	0	0	0	113.1	I126 N136	I126-S128 PolarHBondContact O-N 3.28Å; S128-N136 VanDerWaalsContact CB-ND2 3.34Å; S128-N136 WeakPolarHBondContact CB-ND2 3.38Å; S128-N136 PolarHBondContact OG-ND2 2.9Å
129	I	95	Very high	96.3	Very high	82 Å²	82	46.6 Å²	46.6	42%	0.421	28%	0.282	S	S	.	.			trans	-111	129.7	172.1	-45.4	-61.7	0	0	0	109.7	F131 S135 R379	I129-F131 HydrophobicContact CB-CD1 4.04Å; I129-F131 HydrophobicContact CB-CE1 4.28Å; I129-F131 HydrophobicContact CG2-CD1 3.56Å; I129-F131 HydrophobicContact CG2-CE1 4.26Å; I129-S135 WeakPolarHBondContact O-CB 3.3Å; I129-S135 PolarHBondContact O-OG 3.38Å; I129-S135 VanDerWaalsContact O-OG 3.04Å; I129-R379 WeakPolarHBondContact CA-O 3.34Å
130	G	94.7	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.282	C	S	.	.			trans	-105.9	49.3	-176.9	0	0	0	0	0	114.7	S135 R379	G130-S135 WeakPolarHBondContact CA-OG 3.37Å; G130-R379 PolarHBondContact N-O 3.31Å; G130-R379 WeakPolarHBondContact O-CD 3.15Å; G130-R379 WeakPolarHBondContact O-CG 3.38Å
131	F	92.9	Very high	96.1	Very high	57 Å²	57	49.5 Å²	49.5	25%	0.25	30%	0.295	C	S	.	.	S	Bend	trans	-77.1	-24.2	-176.7	55.5	-106.4	0	0	0	114.2	I129 S135 L359 R371 L377	I129-F131 HydrophobicContact CB-CD1 4.04Å; I129-F131 HydrophobicContact CB-CE1 4.28Å; I129-F131 HydrophobicContact CG2-CD1 3.56Å; I129-F131 HydrophobicContact CG2-CE1 4.26Å; F131-S135 PolarHBondContact N-OG 2.93Å; F131-L359 HydrophobicContact CD2-CD2 3.71Å; F131-L359 HydrophobicContact CE2-CD2 3.55Å; F131-L359 HydrophobicContact CZ-CD2 4.43Å; F131-R371 VanDerWaalsContact O-CB 3.31Å; F131-R371 WeakPolarHBondContact O-CB 3.46Å; F131-R371 WeakPolarHBondContact O-CG 3.27Å; F131-R371 PolarHBondContact O-NH1 2.73Å; F131-L377 HydrophobicContact CB-CD1 3.85Å; F131-L377 HydrophobicContact CB-CG 4.06Å; F131-L377 WeakPolarHBondContact CB-O 3.48Å; F131-L377 HydrophobicContact CG-CD1 4.32Å; F131-L377 HydrophobicContact CG-CG 4.39Å
132	T	93.8	Very high	96.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	28%	0.284	C	S	.	.	S	Bend	trans	-127.4	159	168.5	59.1	0	0	0	0	109.2	V134 S135 L359 D369	T132-V134 PolarHBondContact O-N 3.49Å; T132-V134 VanDerWaalsContact OG1-CG2 3.28Å; T132-V134 WeakPolarHBondContact OG1-CG2 3.35Å; T132-S135 PolarHBondContact N-OG 2.73Å; T132-S135 PolarHBondContact O-N 3.39Å; T132-S135 VanDerWaalsContact O-N 3.12Å; T132-S135 PolarHBondContact O-OG 3.31Å; T132-S135 WeakPolarHBondContact OG1-CB 3.47Å; T132-S135 PolarHBondContact OG1-N 3.22Å; T132-S135 VanDerWaalsContact OG1-N 3.09Å; T132-S135 PolarHBondContact OG1-OG 2.96Å; T132-L359 HydrophobicContact CG2-CB 4.35Å; T132-L359 VanDerWaalsContact CG2-O 3.31Å; T132-L359 WeakPolarHBondContact CG2-O 3.3Å; T132-D369 VanDerWaalsContact CA-OD1 3.24Å; T132-D369 WeakPolarHBondContact CA-OD1 3.29Å
133	W	95.3	Very high	96.2	Very high	45 Å²	45	43.6 Å²	43.6	17%	0.17	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-54.1	-42.1	171.8	-179.4	93.9	0	0	0	112.2	S135 N136 P137 E141 H363 T367 D369	W133-S135 VanDerWaalsContact C-N 3.31Å; W133-S135 PolarHBondContact O-N 2.83Å; W133-N136 CarbonylContact O-C 3.29Å; W133-N136 VanDerWaalsContact O-C 3.29Å; W133-P137 HydrophobicContact CD2-CB 4.29Å; W133-P137 HydrophobicContact CD2-CG 4.31Å; W133-P137 HydrophobicContact CE3-CG 4.25Å; W133-P137 HydrophobicContact CH2-CB 4.27Å; W133-P137 HydrophobicContact CH2-CG 4.08Å; W133-P137 HydrophobicContact CZ2-CB 3.83Å; W133-P137 HydrophobicContact CZ2-CG 4.14Å; W133-P137 HydrophobicContact CZ3-CG 4.13Å; W133-P137 VanDerWaalsContact O-CA 3.23Å; W133-P137 WeakPolarHBondContact O-CA 3.48Å; W133-P137 VanDerWaalsContact O-CD 3.25Å; W133-P137 WeakPolarHBondContact O-CD 3.24Å; W133-P137 WeakPolarHBondContact O-CG 3.27Å; W133-E141 PolarHBondContact NE1-OE1 3.01Å; W133-H363 HydrophobicContact CE3-CB 4.23Å; W133-H363 AromaticContact CE3-CD2 3.79Å; W133-H363 AromaticContact CZ3-CD2 3.33Å; W133-H363 WeakPolarHBondContact CZ3-CD2 3.46Å; W133-H363 AromaticContact CZ3-NE2 3.8Å; W133-T367 HydrophobicContact CB-CG2 4.38Å; W133-T367 HydrophobicContact CD2-CG2 3.97Å; W133-T367 HydrophobicContact CG-CG2 3.79Å; W133-D369 PolarHBondContact N-OD1 3.38Å
134	V	94.8	Very high	96.1	Very high	65 Å²	65	45 Å²	45	39%	0.394	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-70.8	-21.2	-179.6	-69.4	0	0	0	0	114.5	T132 H361	T132-V134 PolarHBondContact O-N 3.49Å; T132-V134 VanDerWaalsContact OG1-CG2 3.28Å; T132-V134 WeakPolarHBondContact OG1-CG2 3.35Å; V134-H361 HydrophobicContact CB-CB 4.25Å; V134-H361 HydrophobicContact CG1-CB 3.68Å; V134-H361 HydrophobicContact CG2-CB 3.52Å
135	S	95	Very high	96.2	Very high	40 Å²	40	43.3 Å²	43.3	28%	0.28	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-69.7	-34.3	-180	62.9	0	0	0	0	112.7	I129 G130 F131 T132 W133	I129-S135 WeakPolarHBondContact O-CB 3.3Å; I129-S135 PolarHBondContact O-OG 3.38Å; I129-S135 VanDerWaalsContact O-OG 3.04Å; G130-S135 WeakPolarHBondContact CA-OG 3.37Å; F131-S135 PolarHBondContact N-OG 2.93Å; T132-S135 PolarHBondContact N-OG 2.73Å; T132-S135 PolarHBondContact O-N 3.39Å; T132-S135 VanDerWaalsContact O-N 3.12Å; T132-S135 PolarHBondContact O-OG 3.31Å; T132-S135 WeakPolarHBondContact OG1-CB 3.47Å; T132-S135 PolarHBondContact OG1-N 3.22Å; T132-S135 VanDerWaalsContact OG1-N 3.09Å; T132-S135 PolarHBondContact OG1-OG 2.96Å; W133-S135 VanDerWaalsContact C-N 3.31Å; W133-S135 PolarHBondContact O-N 2.83Å
136	N	95.7	Very high	96.3	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.128	23%	0.231	C	C	.	.			trans	-162	96.4	165.1	-179.2	-9.8	0	0	0	109.1	S128 W133 A138 C139 T140	S128-N136 VanDerWaalsContact CB-ND2 3.34Å; S128-N136 WeakPolarHBondContact CB-ND2 3.38Å; S128-N136 PolarHBondContact OG-ND2 2.9Å; W133-N136 CarbonylContact O-C 3.29Å; W133-N136 VanDerWaalsContact O-C 3.29Å; N136-A138 VanDerWaalsContact C-N 3.29Å; N136-A138 PolarHBondContact O-N 2.86Å; N136-A138 PolarHBondContact OD1-N 2.88Å; N136-A138 VanDerWaalsContact OD1-N 3.14Å; N136-C139 HydrophobicContact CB-CB 3.77Å; N136-C139 WeakPolarHBondContact O-CB 3.43Å; N136-C139 PolarHBondContact O-N 2.85Å; N136-C139 VanDerWaalsContact O-N 3.08Å; N136-C139 PolarHBondContact OD1-N 2.68Å; N136-T140 PolarHBondContact O-N 2.83Å
137	P	96.2	Very high	96.3	Very high	50 Å²	50	36.4 Å²	36.4	33%	0.325	21%	0.212	S	C	.	.	H	α-helix	trans	-55.4	-41.9	-178.9	-29.7	36.1	0	0	0	113.1	W133 C139 T140 E141	W133-P137 HydrophobicContact CD2-CB 4.29Å; W133-P137 HydrophobicContact CD2-CG 4.31Å; W133-P137 HydrophobicContact CE3-CG 4.25Å; W133-P137 HydrophobicContact CH2-CB 4.27Å; W133-P137 HydrophobicContact CH2-CG 4.08Å; W133-P137 HydrophobicContact CZ2-CB 3.83Å; W133-P137 HydrophobicContact CZ2-CG 4.14Å; W133-P137 HydrophobicContact CZ3-CG 4.13Å; W133-P137 VanDerWaalsContact O-CA 3.23Å; W133-P137 WeakPolarHBondContact O-CA 3.48Å; W133-P137 VanDerWaalsContact O-CD 3.25Å; W133-P137 WeakPolarHBondContact O-CD 3.24Å; W133-P137 WeakPolarHBondContact O-CG 3.27Å; P137-C139 VanDerWaalsContact C-N 3.28Å; P137-C139 PolarHBondContact O-N 3Å; P137-T140 PolarHBondContact O-N 3Å; P137-E141 WeakPolarHBondContact O-CB 3.49Å; P137-E141 WeakPolarHBondContact O-CG 3.47Å; P137-E141 PolarHBondContact O-N 2.78Å
138	A	97.6	Very high	96.4	Very high	52 Å²	52	33.1 Å²	33.1	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-35.1	-179.7	0	0	0	0	0	112.5	N136 L142 F381	N136-A138 VanDerWaalsContact C-N 3.29Å; N136-A138 PolarHBondContact O-N 2.86Å; N136-A138 PolarHBondContact OD1-N 2.88Å; N136-A138 VanDerWaalsContact OD1-N 3.14Å; A138-L142 VanDerWaalsContact O-CB 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.22Å; A138-L142 PolarHBondContact O-N 3.1Å; A138-F381 VanDerWaalsContact C-CZ 3.47Å; A138-F381 HydrophobicContact CB-CE1 4.17Å; A138-F381 HydrophobicContact CB-CZ 4.01Å; A138-F381 WeakPolarHBondContact O-CE2 3.47Å; A138-F381 VanDerWaalsContact O-CZ 3.3Å; A138-F381 WeakPolarHBondContact O-CZ 3.13Å
139	C	97.5	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.8	-174.8	0	0	0	0	111.9	N136 P137 E143 R379 F381	N136-C139 HydrophobicContact CB-CB 3.77Å; N136-C139 WeakPolarHBondContact O-CB 3.43Å; N136-C139 PolarHBondContact O-N 2.85Å; N136-C139 VanDerWaalsContact O-N 3.08Å; N136-C139 PolarHBondContact OD1-N 2.68Å; P137-C139 VanDerWaalsContact C-N 3.28Å; P137-C139 PolarHBondContact O-N 3Å; C139-E143 WeakPolarHBondContact O-CB 3.38Å; C139-R379 PolarHBondContact SG-NH1 3.24Å; C139-R379 VanDerWaalsContact SG-NH1 3.44Å; C139-F381 VanDerWaalsContact CA-CE2 3.46Å; C139-F381 HydrophobicContact CB-CD1 4.4Å; C139-F381 HydrophobicContact CB-CD2 4.11Å; C139-F381 HydrophobicContact CB-CE2 4.34Å; C139-F381 HydrophobicContact CB-CG 4.14Å
140	T	96.7	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74.2	-50.6	178.1	-63.2	0	0	0	0	111.8	N136 P137 L142 E143 L144 I368 F370	N136-T140 PolarHBondContact O-N 2.83Å; P137-T140 PolarHBondContact O-N 3Å; T140-L142 PolarHBondContact O-N 3.28Å; T140-E143 WeakPolarHBondContact O-CB 3.26Å; T140-E143 PolarHBondContact O-N 3.48Å; T140-L144 WeakPolarHBondContact O-CG 3.45Å; T140-L144 PolarHBondContact O-N 3.39Å; T140-I368 HydrophobicContact CG2-CG2 3.69Å; T140-F370 HydrophobicContact CG2-CD2 4.07Å; T140-F370 HydrophobicContact CG2-CE2 3.8Å
141	E	97.1	Very high	97	Very high	84 Å²	84	33.4 Å²	33.4	39%	0.393	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-42.5	-173.6	-66	-75	-177.8	0	0	112.5	W133 P137 E143 L144 V145	W133-E141 PolarHBondContact NE1-OE1 3.01Å; P137-E141 WeakPolarHBondContact O-CB 3.49Å; P137-E141 WeakPolarHBondContact O-CG 3.47Å; P137-E141 PolarHBondContact O-N 2.78Å; E141-E143 VanDerWaalsContact C-N 3.29Å; E141-E143 PolarHBondContact O-N 2.85Å; E141-L144 WeakPolarHBondContact O-CB 3.38Å; E141-L144 PolarHBondContact O-N 3.19Å; E141-V145 PolarHBondContact O-N 3.2Å
142	L	98.4	Very high	97.2	Very high	32 Å²	32	36.6 Å²	36.6	17%	0.168	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-37.4	176.7	-177.6	62.2	0	0	0	111	A138 T140 V145 M146 F381 L384 W387	A138-L142 VanDerWaalsContact O-CB 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.22Å; A138-L142 PolarHBondContact O-N 3.1Å; T140-L142 PolarHBondContact O-N 3.28Å; L142-V145 PolarHBondContact O-N 3.4Å; L142-M146 HydrophobicContact CD1-CE 4.22Å; L142-M146 HydrophobicContact CD1-CG 4.18Å; L142-M146 HydrophobicContact CG-CG 4.17Å; L142-M146 WeakPolarHBondContact O-CB 3.28Å; L142-M146 VanDerWaalsContact O-CG 3.25Å; L142-M146 WeakPolarHBondContact O-CG 3.06Å; L142-M146 PolarHBondContact O-N 3.06Å; L142-F381 HydrophobicContact CB-CE2 3.92Å; L142-F381 HydrophobicContact CB-CZ 4.27Å; L142-F381 HydrophobicContact CD2-CE2 3.64Å; L142-F381 HydrophobicContact CD2-CZ 3.97Å; L142-F381 HydrophobicContact CG-CE2 4.33Å; L142-L384 HydrophobicContact CD2-CD2 3.86Å; L142-L384 HydrophobicContact CD2-CG 4.32Å; L142-W387 HydrophobicContact CD1-CB 4.25Å; L142-W387 HydrophobicContact CD1-CD2 4.11Å; L142-W387 HydrophobicContact CD1-CG 3.86Å; L142-W387 HydrophobicContact CD2-CB 4.14Å; L142-W387 HydrophobicContact CD2-CD2 4.35Å; L142-W387 HydrophobicContact CD2-CE3 4.34Å; L142-W387 HydrophobicContact CD2-CG 4.31Å
143	E	98.4	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-43	176.2	-172.9	154.7	140.5	0	0	111.9	C139 T140 E141 V145 M146 I147 I170 F370 R379	C139-E143 WeakPolarHBondContact O-CB 3.38Å; T140-E143 WeakPolarHBondContact O-CB 3.26Å; T140-E143 PolarHBondContact O-N 3.48Å; E141-E143 VanDerWaalsContact C-N 3.29Å; E141-E143 PolarHBondContact O-N 2.85Å; E143-V145 VanDerWaalsContact C-N 3.28Å; E143-V145 PolarHBondContact O-N 3.13Å; E143-M146 PolarHBondContact O-N 2.98Å; E143-M146 VanDerWaalsContact O-N 3.16Å; E143-I147 HydrophobicContact CG-CD1 4.4Å; E143-I147 HydrophobicContact CG-CG1 3.84Å; E143-I147 WeakPolarHBondContact O-CB 3.28Å; E143-I147 WeakPolarHBondContact O-CG1 3.48Å; E143-I147 PolarHBondContact O-N 3.49Å; E143-I170 HydrophobicContact CG-CD1 4.03Å; E143-I170 HydrophobicContact CG-CG1 3.97Å; E143-I170 PolarHBondContact OE1-N 2.95Å; E143-F370 HydrophobicContact CB-CE2 3.96Å; E143-F370 HydrophobicContact CB-CZ 4.33Å; E143-F370 HydrophobicContact CG-CE2 4.01Å; E143-F370 HydrophobicContact CG-CZ 4.04Å; E143-R379 IonicContact OE1-CZ 2.69Å; E143-R379 IonicContact OE1-NH2 3.17Å; E143-R379 PolarHBondContact OE1-NH2 2.99Å; E143-R379 IonicContact OE2-CZ 3.03Å; E143-R379 IonicContact OE2-NH1 3.41Å; E143-R379 PolarHBondContact OE2-NH1 3.46Å; E143-R379 IonicContact OE2-NH2 3.81Å; E143-R379 PolarHBondContact OE2-NH2 3.29Å
144	L	97.2	Very high	97.6	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.199	19%	0.192	C	C	.	.	H	α-helix	trans	-49.8	-51.4	174.1	-70	175.1	0	0	0	111.4	T140 E141 D148 F162 I368 F370	T140-L144 WeakPolarHBondContact O-CG 3.45Å; T140-L144 PolarHBondContact O-N 3.39Å; E141-L144 WeakPolarHBondContact O-CB 3.38Å; E141-L144 PolarHBondContact O-N 3.19Å; L144-D148 PolarHBondContact O-N 3.49Å; L144-F162 HydrophobicContact CB-CD2 4.32Å; L144-F162 HydrophobicContact CB-CE2 4.19Å; L144-F162 HydrophobicContact CD2-CD1 3.73Å; L144-F162 HydrophobicContact CD2-CD2 3.77Å; L144-F162 HydrophobicContact CD2-CE1 3.43Å; L144-F162 VanDerWaalsContact CD2-CE1 3.43Å; L144-F162 HydrophobicContact CD2-CE2 3.46Å; L144-F162 VanDerWaalsContact CD2-CE2 3.46Å; L144-F162 HydrophobicContact CD2-CG 3.89Å; L144-F162 HydrophobicContact CD2-CZ 3.28Å; L144-F162 HydrophobicContact CG-CE2 4.41Å; L144-F162 WeakPolarHBondContact O-CD2 3.45Å; L144-F162 WeakPolarHBondContact O-CE2 3.5Å; L144-I368 HydrophobicContact CD1-CG2 4.37Å; L144-I368 HydrophobicContact CD2-CG2 3.67Å; L144-I368 HydrophobicContact CG-CG2 4.29Å; L144-F370 HydrophobicContact CD2-CZ 4.02Å; L144-F370 HydrophobicContact CG-CZ 4.47Å
145	V	98.2	Very high	97.8	Very high	68 Å²	68	36 Å²	36	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-66.6	-42	-178.8	-177.8	0	0	0	0	111.8	E141 L142 E143 D148 W149	E141-V145 PolarHBondContact O-N 3.2Å; L142-V145 PolarHBondContact O-N 3.4Å; E143-V145 VanDerWaalsContact C-N 3.28Å; E143-V145 PolarHBondContact O-N 3.13Å; V145-D148 PolarHBondContact O-N 3.27Å; V145-W149 HydrophobicContact CG1-CG 4.44Å; V145-W149 WeakPolarHBondContact O-CB 3.47Å; V145-W149 PolarHBondContact O-N 3.45Å
146	M	98.6	Very high	98	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-39.5	-177.4	-71.1	-54.2	93.7	0	0	113.1	L142 E143 D148 W149 V150 L386 W387 L390	L142-M146 HydrophobicContact CD1-CE 4.22Å; L142-M146 HydrophobicContact CD1-CG 4.18Å; L142-M146 HydrophobicContact CG-CG 4.17Å; L142-M146 WeakPolarHBondContact O-CB 3.28Å; L142-M146 VanDerWaalsContact O-CG 3.25Å; L142-M146 WeakPolarHBondContact O-CG 3.06Å; L142-M146 PolarHBondContact O-N 3.06Å; E143-M146 PolarHBondContact O-N 2.98Å; E143-M146 VanDerWaalsContact O-N 3.16Å; M146-D148 VanDerWaalsContact C-N 3.34Å; M146-W149 HydrophobicContact CE-CD2 3.65Å; M146-W149 HydrophobicContact CE-CE3 3.58Å; M146-W149 HydrophobicContact CE-CG 4.12Å; M146-W149 HydrophobicContact CE-CH2 4.4Å; M146-W149 HydrophobicContact CE-CZ2 4.45Å; M146-W149 HydrophobicContact CE-CZ3 3.98Å; M146-W149 PolarHBondContact O-N 2.97Å; M146-W149 HydrophobicContact SD-CE3 4.19Å; M146-V150 WeakPolarHBondContact O-CG2 3.47Å; M146-V150 PolarHBondContact O-N 3.25Å; M146-L386 HydrophobicContact CB-CD2 3.7Å; M146-L386 HydrophobicContact CB-CG 4.16Å; M146-L386 HydrophobicContact CG-CD2 4.42Å; M146-L386 HydrophobicContact CG-CG 4.41Å; M146-W387 VanDerWaalsContact CE-CD1 3.46Å; M146-W387 HydrophobicContact CE-CG 4.34Å; M146-W387 HydrophobicContact CG-CB 4.12Å; M146-W387 VanDerWaalsContact SD-CA 3.5Å; M146-W387 HydrophobicContact SD-CB 3.6Å; M146-W387 VanDerWaalsContact SD-CB 3.6Å; M146-W387 VanDerWaalsContact SD-CD1 3.52Å; M146-W387 HydrophobicContact SD-CG 3.95Å; M146-L390 HydrophobicContact SD-CD1 4.15Å
147	I	98.5	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-45.2	174.9	-66.7	-69.9	0	0	0	110.4	E143 V150 A151 F162 I170 I339 W341	E143-I147 HydrophobicContact CG-CD1 4.4Å; E143-I147 HydrophobicContact CG-CG1 3.84Å; E143-I147 WeakPolarHBondContact O-CB 3.28Å; E143-I147 WeakPolarHBondContact O-CG1 3.48Å; E143-I147 PolarHBondContact O-N 3.49Å; I147-V150 PolarHBondContact O-N 2.99Å; I147-A151 WeakPolarHBondContact O-CB 2.98Å; I147-A151 PolarHBondContact O-N 3.39Å; I147-F162 HydrophobicContact CB-CD2 4.48Å; I147-F162 HydrophobicContact CB-CE2 3.68Å; I147-F162 HydrophobicContact CB-CZ 4.48Å; I147-F162 HydrophobicContact CG1-CE2 4.23Å; I147-F162 HydrophobicContact CG2-CD2 4.21Å; I147-F162 HydrophobicContact CG2-CE2 3.52Å; I147-F162 HydrophobicContact CG2-CZ 4.15Å; I147-I170 HydrophobicContact CD1-CG1 3.89Å; I147-I339 HydrophobicContact CD1-CB 4.44Å; I147-I339 HydrophobicContact CD1-CG2 3.21Å; I147-W341 HydrophobicContact CG2-CZ2 4.39Å; I147-W341 WeakPolarHBondContact O-CZ2 3.45Å; I147-W341 PolarHBondContact O-NE1 2.82Å
148	D	98.5	Very high	98.1	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.16	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-39.9	176.3	-94.6	19.6	0	0	0	112.5	L144 V145 M146 A151 K152 L161 F162	L144-D148 PolarHBondContact O-N 3.49Å; V145-D148 PolarHBondContact O-N 3.27Å; M146-D148 VanDerWaalsContact C-N 3.34Å; D148-A151 PolarHBondContact O-N 2.88Å; D148-K152 WeakPolarHBondContact O-CB 3.4Å; D148-K152 VanDerWaalsContact O-CG 3.28Å; D148-K152 WeakPolarHBondContact O-CG 3.2Å; D148-K152 PolarHBondContact O-N 3.34Å; D148-L161 HydrophobicContact CB-CD2 4.32Å; D148-L161 WeakPolarHBondContact OD1-CA 3.43Å; D148-F162 WeakPolarHBondContact OD1-CD2 3.38Å; D148-F162 PolarHBondContact OD1-N 3.4Å
149	W	98.7	Very high	98	Very high	108 Å²	108	40.4 Å²	40.4	41%	0.409	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-48.4	174.6	-82.8	26.2	0	0	0	111	V145 M146 K152 I153 L390	V145-W149 HydrophobicContact CG1-CG 4.44Å; V145-W149 WeakPolarHBondContact O-CB 3.47Å; V145-W149 PolarHBondContact O-N 3.45Å; M146-W149 HydrophobicContact CE-CD2 3.65Å; M146-W149 HydrophobicContact CE-CE3 3.58Å; M146-W149 HydrophobicContact CE-CG 4.12Å; M146-W149 HydrophobicContact CE-CH2 4.4Å; M146-W149 HydrophobicContact CE-CZ2 4.45Å; M146-W149 HydrophobicContact CE-CZ3 3.98Å; M146-W149 PolarHBondContact O-N 2.97Å; M146-W149 HydrophobicContact SD-CE3 4.19Å; W149-K152 PolarHBondContact O-N 3.34Å; W149-I153 WeakPolarHBondContact O-CD1 3.4Å; W149-I153 WeakPolarHBondContact O-CG1 3.3Å; W149-I153 PolarHBondContact O-N 3.19Å; W149-L390 HydrophobicContact CE3-CD1 4.27Å
150	V	98.7	Very high	98.1	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-43.1	-179.8	176.4	0	0	0	0	111.2	M146 I147 K152 I153 L154 F325 I339 W341 L386 L390	M146-V150 WeakPolarHBondContact O-CG2 3.47Å; M146-V150 PolarHBondContact O-N 3.25Å; I147-V150 PolarHBondContact O-N 2.99Å; V150-K152 VanDerWaalsContact C-N 3.28Å; V150-K152 PolarHBondContact O-N 3.01Å; V150-I153 PolarHBondContact O-N 3.07Å; V150-I153 VanDerWaalsContact O-N 3.13Å; V150-L154 HydrophobicContact CG1-CD1 3.82Å; V150-L154 HydrophobicContact CG1-CG 4.15Å; V150-L154 WeakPolarHBondContact O-CB 3.49Å; V150-L154 VanDerWaalsContact O-CG 3.29Å; V150-L154 WeakPolarHBondContact O-CG 3.45Å; V150-L154 PolarHBondContact O-N 3.03Å; V150-F325 HydrophobicContact CG1-CE1 3.67Å; V150-F325 HydrophobicContact CG1-CZ 3.7Å; V150-I339 HydrophobicContact CB-CD1 4.25Å; V150-I339 HydrophobicContact CG1-CD1 4.05Å; V150-I339 HydrophobicContact CG2-CD1 4.03Å; V150-W341 HydrophobicContact CB-CH2 4.13Å; V150-W341 HydrophobicContact CB-CZ2 3.94Å; V150-W341 HydrophobicContact CG1-CH2 3.55Å; V150-W341 HydrophobicContact CG1-CZ2 3.85Å; V150-L386 HydrophobicContact CG2-CD1 3.85Å; V150-L386 HydrophobicContact CG2-CD2 3.93Å; V150-L386 HydrophobicContact CG2-CG 4.28Å; V150-L390 HydrophobicContact CG2-CD1 4.12Å
151	A	98.6	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.3	-43.9	174.4	0	0	0	0	0	112.2	I147 D148 L154 S155 L156 L161 W341	I147-A151 WeakPolarHBondContact O-CB 2.98Å; I147-A151 PolarHBondContact O-N 3.39Å; D148-A151 PolarHBondContact O-N 2.88Å; A151-L154 PolarHBondContact O-N 2.69Å; A151-S155 PolarHBondContact O-N 3.09Å; A151-L156 HydrophobicContact CB-CB 4.3Å; A151-L156 HydrophobicContact CB-CD1 4.15Å; A151-L156 PolarHBondContact O-N 3.5Å; A151-L161 HydrophobicContact CB-CD2 3.55Å; A151-W341 HydrophobicContact CB-CZ2 4.22Å
152	K	98.6	Very high	98.1	Very high	124 Å²	124	40.4 Å²	40.4	54%	0.539	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-40.6	176.3	-71.1	168	-175.8	169.2	0	112.6	D148 W149 V150 L154 S155 L161	D148-K152 WeakPolarHBondContact O-CB 3.4Å; D148-K152 VanDerWaalsContact O-CG 3.28Å; D148-K152 WeakPolarHBondContact O-CG 3.2Å; D148-K152 PolarHBondContact O-N 3.34Å; W149-K152 PolarHBondContact O-N 3.34Å; V150-K152 VanDerWaalsContact C-N 3.28Å; V150-K152 PolarHBondContact O-N 3.01Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-S155 PolarHBondContact O-N 3.03Å; K152-S155 VanDerWaalsContact O-N 3.14Å; K152-L161 HydrophobicContact CG-CD2 4.02Å
153	I	98.5	Very high	97.7	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.159	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-41.4	177.6	-68	162.6	0	0	0	110.8	W149 V150 S155 I306 R311 L390 V395	W149-I153 WeakPolarHBondContact O-CD1 3.4Å; W149-I153 WeakPolarHBondContact O-CG1 3.3Å; W149-I153 PolarHBondContact O-N 3.19Å; V150-I153 PolarHBondContact O-N 3.07Å; V150-I153 VanDerWaalsContact O-N 3.13Å; I153-S155 PolarHBondContact O-N 3.06Å; I153-I306 HydrophobicContact CG2-CB 3.66Å; I153-I306 HydrophobicContact CG2-CG2 3.53Å; I153-R311 PolarHBondContact O-NH2 2.97Å; I153-L390 HydrophobicContact CD1-CD1 4.42Å; I153-L390 HydrophobicContact CD1-CD2 3.77Å; I153-V395 HydrophobicContact CD1-CG2 3.7Å; I153-V395 HydrophobicContact CG1-CG2 3.79Å; I153-V395 HydrophobicContact CG2-CG1 3.91Å; I153-V395 HydrophobicContact CG2-CG2 4.26Å
154	L	98.6	Very high	97.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.5	-16	175.8	-64.8	173.9	0	0	0	113.1	V150 A151 K152 L156 G302 F305 I306 M314 F323 F325 W341	V150-L154 HydrophobicContact CG1-CD1 3.82Å; V150-L154 HydrophobicContact CG1-CG 4.15Å; V150-L154 WeakPolarHBondContact O-CB 3.49Å; V150-L154 VanDerWaalsContact O-CG 3.29Å; V150-L154 WeakPolarHBondContact O-CG 3.45Å; V150-L154 PolarHBondContact O-N 3.03Å; A151-L154 PolarHBondContact O-N 2.69Å; K152-L154 VanDerWaalsContact C-N 3.33Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L156 HydrophobicContact CB-CD2 4.32Å; L154-L156 HydrophobicContact CB-CG 3.94Å; L154-L156 HydrophobicContact CD1-CD1 4.14Å; L154-L156 HydrophobicContact CD1-CG 4.24Å; L154-G302 WeakPolarHBondContact CD2-O 3.44Å; L154-F305 HydrophobicContact CD2-CB 3.9Å; L154-I306 HydrophobicContact CD2-CG2 3.85Å; L154-M314 WeakPolarHBondContact O-CE 3.24Å; L154-F323 HydrophobicContact CD1-CE1 4.02Å; L154-F325 HydrophobicContact CD1-CD1 4.01Å; L154-F325 HydrophobicContact CD1-CE1 3.51Å; L154-F325 HydrophobicContact CD1-CZ 4.08Å; L154-F325 HydrophobicContact CD2-CZ 4.42Å; L154-W341 HydrophobicContact CD1-CH2 4.14Å; L154-W341 HydrophobicContact CD1-CZ3 4.37Å
155	S	98.3	Very high	96.9	Very high	68 Å²	68	50.9 Å²	50.9	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	39.1	-171.1	-166.6	0	0	0	0	113.1	A151 K152 I153	A151-S155 PolarHBondContact O-N 3.09Å; K152-S155 PolarHBondContact O-N 3.03Å; K152-S155 VanDerWaalsContact O-N 3.14Å; I153-S155 PolarHBondContact O-N 3.06Å
156	L	98.6	Very high	96.7	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.073	25%	0.249	C	C	.	.			trans	-64.7	150.5	171.5	-64	-176.8	0	0	0	110.8	A151 L154 F160 M314 I317 F323 W341	A151-L156 HydrophobicContact CB-CB 4.3Å; A151-L156 HydrophobicContact CB-CD1 4.15Å; A151-L156 PolarHBondContact O-N 3.5Å; L154-L156 VanDerWaalsContact C-N 3.34Å; L154-L156 HydrophobicContact CB-CD2 4.32Å; L154-L156 HydrophobicContact CB-CG 3.94Å; L154-L156 HydrophobicContact CD1-CD1 4.14Å; L154-L156 HydrophobicContact CD1-CG 4.24Å; L156-F160 HydrophobicContact CB-CB 4.4Å; L156-F160 HydrophobicContact CB-CD2 4.11Å; L156-M314 HydrophobicContact CD2-SD 4.21Å; L156-I317 HydrophobicContact CD2-CG1 4.28Å; L156-F323 HydrophobicContact CD1-CD1 3.84Å; L156-F323 HydrophobicContact CD1-CE1 4.18Å; L156-F323 HydrophobicContact CD2-CD1 4.03Å; L156-F323 HydrophobicContact CD2-CE1 4.05Å; L156-F323 HydrophobicContact CD2-CG 4.32Å; L156-F323 HydrophobicContact CD2-CZ 4.33Å; L156-W341 HydrophobicContact CD1-CD2 3.78Å; L156-W341 HydrophobicContact CD1-CE3 3.91Å; L156-W341 HydrophobicContact CD1-CG 4.22Å; L156-W341 HydrophobicContact CD1-CZ2 4.45Å; L156-W341 HydrophobicContact CD1-CZ3 4.32Å
157	P	98	Very high	96.7	Very high	28 Å²	28	48.4 Å²	48.4	18%	0.182	25%	0.249	C	C	.	.			trans	-51.1	147.2	173.7	-28.6	32.7	0	0	0	113.6	H159 F160 I317 E318	P157-H159 WeakPolarHBondContact CB-CE1 3.5Å; P157-H159 PolarHBondContact O-N 2.98Å; P157-F160 HydrophobicContact CB-CD2 4.25Å; P157-F160 HydrophobicContact CG-CD2 4.26Å; P157-F160 HydrophobicContact CG-CE2 4.3Å; P157-F160 PolarHBondContact O-N 3.42Å; P157-I317 HydrophobicContact CG-CG2 3.93Å; P157-E318 HydrophobicContact CG-CB 4.47Å
158	E	96.9	Very high	96.6	Very high	166 Å²	166	48.4 Å²	48.4	78%	0.776	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-56.6	-27.8	-179	-68.6	-172.7	164.5	0	0	113.3	F160 L161	E158-F160 PolarHBondContact O-N 2.93Å; E158-L161 WeakPolarHBondContact O-CB 3.24Å; E158-L161 PolarHBondContact O-N 3.17Å
159	H	96.3	Very high	96.6	Very high	51 Å²	51	47 Å²	47	24%	0.236	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-68.3	-1.4	176.4	65.1	-128.3	0	0	0	114.5	P157 S166 E318 R343	P157-H159 WeakPolarHBondContact CB-CE1 3.5Å; P157-H159 PolarHBondContact O-N 2.98Å; H159-S166 WeakPolarHBondContact O-CB 3.36Å; H159-E318 PolarHBondContact CE1-O 3.09Å; H159-R343 HydrophobicContact CB-CG 4.23Å
160	F	98.1	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-99.6	-16.3	168.2	-72	-57.9	0	0	0	113.2	L156 P157 E158 G167 I317 A320 F323 W341 R343	L156-F160 HydrophobicContact CB-CB 4.4Å; L156-F160 HydrophobicContact CB-CD2 4.11Å; P157-F160 HydrophobicContact CB-CD2 4.25Å; P157-F160 HydrophobicContact CG-CD2 4.26Å; P157-F160 HydrophobicContact CG-CE2 4.3Å; P157-F160 PolarHBondContact O-N 3.42Å; E158-F160 PolarHBondContact O-N 2.93Å; F160-G167 WeakPolarHBondContact O-CA 3.35Å; F160-I317 HydrophobicContact CE2-CG1 4.37Å; F160-A320 HydrophobicContact CZ-CB 3.96Å; F160-F323 HydrophobicContact CZ-CB 4.34Å; F160-W341 HydrophobicContact CB-CB 3.98Å; F160-W341 HydrophobicContact CB-CG 4.14Å; F160-W341 HydrophobicContact CD1-CB 3.44Å; F160-W341 VanDerWaalsContact CD1-CB 3.44Å; F160-W341 HydrophobicContact CD1-CG 4.45Å; F160-W341 HydrophobicContact CE1-CB 4.12Å; F160-W341 HydrophobicContact CG-CB 3.9Å; F160-W341 VanDerWaalsContact O-CD1 3.23Å; F160-R343 HydrophobicContact CE1-CB 4.22Å
161	L	97.8	Very high	96.6	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.178	22%	0.221	C	C	.	.	S	Bend	trans	-67	152.8	172.5	-58.7	178.1	0	0	0	109.9	D148 A151 K152 E158 G163 S166	D148-L161 HydrophobicContact CB-CD2 4.32Å; D148-L161 WeakPolarHBondContact OD1-CA 3.43Å; A151-L161 HydrophobicContact CB-CD2 3.55Å; K152-L161 HydrophobicContact CG-CD2 4.02Å; E158-L161 WeakPolarHBondContact O-CB 3.24Å; E158-L161 PolarHBondContact O-N 3.17Å; L161-G163 PolarHBondContact O-N 3.41Å; L161-G163 VanDerWaalsContact O-N 3.12Å; L161-S166 VanDerWaalsContact O-CB 3.27Å; L161-S166 WeakPolarHBondContact O-CB 3.4Å; L161-S166 PolarHBondContact O-OG 2.97Å
162	F	96.3	Very high	96.5	Very high	50 Å²	50	42.1 Å²	42.1	22%	0.219	22%	0.224	C	C	.	.	S	Bend	trans	-57.7	120.3	176.1	-82.8	-70.4	0	0	0	111.4	L144 I147 D148 S166 G168 I368 F370	L144-F162 HydrophobicContact CB-CD2 4.32Å; L144-F162 HydrophobicContact CB-CE2 4.19Å; L144-F162 HydrophobicContact CD2-CD1 3.73Å; L144-F162 HydrophobicContact CD2-CD2 3.77Å; L144-F162 HydrophobicContact CD2-CE1 3.43Å; L144-F162 VanDerWaalsContact CD2-CE1 3.43Å; L144-F162 HydrophobicContact CD2-CE2 3.46Å; L144-F162 VanDerWaalsContact CD2-CE2 3.46Å; L144-F162 HydrophobicContact CD2-CG 3.89Å; L144-F162 HydrophobicContact CD2-CZ 3.28Å; L144-F162 HydrophobicContact CG-CE2 4.41Å; L144-F162 WeakPolarHBondContact O-CD2 3.45Å; L144-F162 WeakPolarHBondContact O-CE2 3.5Å; I147-F162 HydrophobicContact CB-CD2 4.48Å; I147-F162 HydrophobicContact CB-CE2 3.68Å; I147-F162 HydrophobicContact CB-CZ 4.48Å; I147-F162 HydrophobicContact CG1-CE2 4.23Å; I147-F162 HydrophobicContact CG2-CD2 4.21Å; I147-F162 HydrophobicContact CG2-CE2 3.52Å; I147-F162 HydrophobicContact CG2-CZ 4.15Å; D148-F162 WeakPolarHBondContact OD1-CD2 3.38Å; D148-F162 PolarHBondContact OD1-N 3.4Å; F162-S166 WeakPolarHBondContact CA-O 3.33Å; F162-G168 WeakPolarHBondContact CZ-O 3.34Å; F162-I368 HydrophobicContact CE1-CD1 3.79Å; F162-F370 HydrophobicContact CZ-CE1 4.08Å; F162-F370 HydrophobicContact CZ-CZ 4.05Å
163	G	91.1	Very high	96.5	Very high	48 Å²	48	37.2 Å²	37.2	50%	0.495	21%	0.206	S	C	.	.	S	Bend	trans	-142	-158.7	176.6	0	0	0	0	0	110.2	L161 N165 S166	L161-G163 PolarHBondContact O-N 3.41Å; L161-G163 VanDerWaalsContact O-N 3.12Å; G163-N165 VanDerWaalsContact C-N 3.34Å; G163-N165 PolarHBondContact O-N 3.27Å; G163-S166 PolarHBondContact N-O 3.08Å; G163-S166 PolarHBondContact N-OG 2.84Å
164	E	86.3	Confident	96.5	Very high	192 Å²	192	36.1 Å²	36.1	90%	0.897	20%	0.201	S	C	*	.	S	Bend	trans	-62.7	-40	179.7	-172.2	179.6	178.4	0	0	112.5
165	N	90.8	Very high	96.5	Very high	50 Å²	50	38.4 Å²	38.4	27%	0.267	22%	0.217	S	C	.	.	S	Bend	trans	-131.2	14.6	-177.1	-168.2	28.2	0	0	0	113.5	G163 R343 E344 V345 N346	G163-N165 VanDerWaalsContact C-N 3.34Å; G163-N165 PolarHBondContact O-N 3.27Å; N165-R343 VanDerWaalsContact O-O 3.12Å; N165-E344 CarbonylContact O-C 3.13Å; N165-E344 WeakPolarHBondContact O-CA 3.49Å; N165-V345 WeakPolarHBondContact O-CG2 3.4Å; N165-V345 PolarHBondContact O-N 2.99Å; N165-V345 PolarHBondContact OD1-N 3.49Å; N165-N346 WeakPolarHBondContact OD1-CB 3.25Å; N165-N346 PolarHBondContact OD1-N 3.22Å; N165-N346 PolarHBondContact OD1-ND2 3.34Å
166	S	95.9	Very high	96.5	Very high	18 Å²	18	38.2 Å²	38.2	13%	0.126	21%	0.208	C	C	.	.			trans	-125.2	158.6	-179	51.7	0	0	0	0	111.4	H159 L161 F162 G163	H159-S166 WeakPolarHBondContact O-CB 3.36Å; L161-S166 VanDerWaalsContact O-CB 3.27Å; L161-S166 WeakPolarHBondContact O-CB 3.4Å; L161-S166 PolarHBondContact O-OG 2.97Å; F162-S166 WeakPolarHBondContact CA-O 3.33Å; G163-S166 PolarHBondContact N-O 3.08Å; G163-S166 PolarHBondContact N-OG 2.84Å
167	G	96.6	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	-171.3	175.5	0	0	0	0	0	112.9	F160 W341 Y342	F160-G167 WeakPolarHBondContact O-CA 3.35Å; G167-W341 CarbonylContact O-C 3.43Å; G167-W341 WeakPolarHBondContact O-CA 3.21Å; G167-Y342 PolarHBondContact N-O 3.4Å; G167-Y342 PolarHBondContact O-N 3.37Å
168	G	97.8	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	179.9	-179.9	0	0	0	0	0	113.7	F162 V340 F370	F162-G168 WeakPolarHBondContact CZ-O 3.34Å; G168-V340 CarbonylContact C-O 3.55Å; G168-V340 WeakPolarHBondContact CA-O 3.49Å; G168-F370 WeakPolarHBondContact O-CE1 3.46Å
169	V	98.1	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148.3	179.4	61.1	0	0	0	0	110	Q171 V340 Y342 F370 M373	V169-Q171 HydrophobicContact CG1-CG 4.32Å; V169-V340 HydrophobicContact CG1-CG1 3.67Å; V169-V340 PolarHBondContact N-O 2.97Å; V169-V340 PolarHBondContact O-N 3.33Å; V169-V340 VanDerWaalsContact O-N 3.14Å; V169-Y342 HydrophobicContact CG1-CE2 4.19Å; V169-F370 HydrophobicContact CB-CD1 3.89Å; V169-F370 HydrophobicContact CB-CE1 4.06Å; V169-F370 HydrophobicContact CG2-CB 4.24Å; V169-F370 HydrophobicContact CG2-CD1 3.55Å; V169-F370 HydrophobicContact CG2-CE1 4.1Å; V169-F370 HydrophobicContact CG2-CG 4.03Å; V169-M373 HydrophobicContact CB-CB 4.39Å; V169-M373 HydrophobicContact CB-CE 4.23Å; V169-M373 HydrophobicContact CG1-CB 4.09Å; V169-M373 HydrophobicContact CG1-CE 4.15Å
170	I	98.5	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.8	171.3	-52.2	178	0	0	0	109.7	E143 I147 S338 I339 R382 L386	E143-I170 HydrophobicContact CG-CD1 4.03Å; E143-I170 HydrophobicContact CG-CG1 3.97Å; E143-I170 PolarHBondContact OE1-N 2.95Å; I147-I170 HydrophobicContact CD1-CG1 3.89Å; I170-S338 CarbonylContact C-O 3.58Å; I170-S338 VanDerWaalsContact CA-O 3.29Å; I170-S338 WeakPolarHBondContact CA-O 3.36Å; I170-I339 HydrophobicContact CG1-CG1 4.4Å; I170-R382 HydrophobicContact CB-CB 4.48Å; I170-R382 HydrophobicContact CD1-CB 4.17Å; I170-R382 HydrophobicContact CG2-CB 3.9Å; I170-R382 HydrophobicContact CG2-CG 4.38Å; I170-R382 PolarHBondContact O-NH1 2.93Å; I170-L386 HydrophobicContact CD1-CD2 4.3Å
171	Q	98.3	Very high	96.7	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	168.4	172.6	-61.3	-69.4	-2.5	0	0	111.6	V169 S177 S338 V340 M373	V169-Q171 HydrophobicContact CG1-CG 4.32Å; Q171-S177 WeakPolarHBondContact CB-OG 3.39Å; Q171-S177 WeakPolarHBondContact CG-OG 3.41Å; Q171-S338 PolarHBondContact N-O 2.89Å; Q171-S338 PolarHBondContact O-N 3.47Å; Q171-V340 HydrophobicContact CG-CG1 3.76Å; Q171-M373 PolarHBondContact NE2-O 2.95Å
172	G	97.9	Very high	96.8	Very high	7 Å²	7	25 Å²	25	7%	0.072	14%	0.143	C	C	.	.	S	Bend	trans	-67.4	-39.6	172.5	0	0	0	0	0	112.6	E176 D336	G172-E176 VanDerWaalsContact C-OE2 3.32Å; G172-E176 VanDerWaalsContact CA-OE2 3.28Å; G172-E176 WeakPolarHBondContact CA-OE2 3.39Å; G172-D336 WeakPolarHBondContact O-CB 3.23Å
173	S	98.5	Very high	96.9	Very high	22 Å²	22	23.6 Å²	23.6	15%	0.154	14%	0.138	C	C	.	.			trans	-151.8	160.6	-175.6	63.3	0	0	0	0	113.6	S175 E176 S177 S338	S173-S175 PolarHBondContact O-N 3.15Å; S173-E176 WeakPolarHBondContact CB-OE2 3.36Å; S173-E176 PolarHBondContact N-OE2 2.89Å; S173-E176 PolarHBondContact O-N 2.87Å; S173-E176 WeakPolarHBondContact OG-CG 3.32Å; S173-E176 PolarHBondContact OG-N 2.9Å; S173-E176 VanDerWaalsContact OG-N 3.14Å; S173-E176 PolarHBondContact OG-OE2 2.85Å; S173-S177 PolarHBondContact O-N 3.21Å; S173-S177 VanDerWaalsContact O-N 3.09Å; S173-S177 PolarHBondContact O-OG 3.07Å; S173-S338 PolarHBondContact O-OG 3.31Å
174	C	97.9	Very high	97.2	Very high	8 Å²	8	21.3 Å²	21.3	5%	0.054	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-35.9	166.9	-86.1	0	0	0	0	111.5	E176 S177 T178 A299 V324 N326 S338	C174-E176 PolarHBondContact O-N 3.03Å; C174-S177 CarbonylContact O-C 3.43Å; C174-S177 WeakPolarHBondContact O-CA 3.38Å; C174-S177 WeakPolarHBondContact O-CB 3.28Å; C174-S177 PolarHBondContact O-N 3.33Å; C174-S177 VanDerWaalsContact O-N 3.08Å; C174-T178 PolarHBondContact O-N 3.38Å; C174-T178 PolarHBondContact O-OG1 3.22Å; C174-T178 VanDerWaalsContact O-OG1 3.09Å; C174-A299 HydrophobicContact CB-CB 4.15Å; C174-A299 VanDerWaalsContact SG-CB 3.58Å; C174-V324 HydrophobicContact CB-CG1 4.48Å; C174-V324 HydrophobicContact CB-CG2 4.4Å; C174-V324 WeakPolarHBondContact SG-CG2 3.46Å; C174-N326 PolarHBondContact N-OD1 2.89Å; C174-N326 PolarHBondContact SG-ND2 3.26Å; C174-N326 PolarHBondContact SG-OD1 3.11Å; C174-S338 PolarHBondContact N-OG 3.1Å
175	S	98.6	Very high	97.8	Very high	47 Å²	47	12.3 Å²	12.3	33%	0.329	7%	0.073	S	C	.	.	H	α-helix	trans	-61.5	-44.6	-179.5	-52.5	0	0	0	0	112.7	S173 S177 L179 S220	S173-S175 PolarHBondContact O-N 3.15Å; S175-S177 VanDerWaalsContact C-N 3.33Å; S175-L179 PolarHBondContact O-N 3.34Å; S175-L179 VanDerWaalsContact O-N 3.1Å; S175-S220 VanDerWaalsContact OG-CB 3.22Å; S175-S220 WeakPolarHBondContact OG-CB 3.46Å
176	E	98.1	Very high	98.1	Very high	64 Å²	64	12.6 Å²	12.6	30%	0.299	7%	0.07	S	C	.	.	H	α-helix	trans	-65.3	-39.2	172.4	-70.1	163.1	99.8	0	0	111.4	G172 S173 C174 L179 V180	G172-E176 VanDerWaalsContact C-OE2 3.32Å; G172-E176 VanDerWaalsContact CA-OE2 3.28Å; G172-E176 WeakPolarHBondContact CA-OE2 3.39Å; S173-E176 WeakPolarHBondContact CB-OE2 3.36Å; S173-E176 PolarHBondContact N-OE2 2.89Å; S173-E176 PolarHBondContact O-N 2.87Å; S173-E176 WeakPolarHBondContact OG-CG 3.32Å; S173-E176 PolarHBondContact OG-N 2.9Å; S173-E176 VanDerWaalsContact OG-N 3.14Å; S173-E176 PolarHBondContact OG-OE2 2.85Å; C174-E176 PolarHBondContact O-N 3.03Å; E176-L179 PolarHBondContact O-N 3.33Å; E176-V180 VanDerWaalsContact O-CG2 3.31Å; E176-V180 WeakPolarHBondContact O-CG2 3.16Å; E176-V180 PolarHBondContact O-N 3.12Å
177	S	98.5	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-45.1	179.2	-50.7	0	0	0	0	111.9	Q171 S173 C174 S175 V180 A181 S338	Q171-S177 WeakPolarHBondContact CB-OG 3.39Å; Q171-S177 WeakPolarHBondContact CG-OG 3.41Å; S173-S177 PolarHBondContact O-N 3.21Å; S173-S177 VanDerWaalsContact O-N 3.09Å; S173-S177 PolarHBondContact O-OG 3.07Å; C174-S177 CarbonylContact O-C 3.43Å; C174-S177 WeakPolarHBondContact O-CA 3.38Å; C174-S177 WeakPolarHBondContact O-CB 3.28Å; C174-S177 PolarHBondContact O-N 3.33Å; C174-S177 VanDerWaalsContact O-N 3.08Å; S175-S177 VanDerWaalsContact C-N 3.33Å; S177-V180 PolarHBondContact O-N 2.89Å; S177-A181 WeakPolarHBondContact O-CB 3.34Å; S177-A181 PolarHBondContact O-N 3.38Å; S177-S338 PolarHBondContact OG-OG 3.5Å
178	T	98.7	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-42.6	174.8	-59.1	0	0	0	0	111.2	C174 A181 L182 V221 A224 H295	C174-T178 PolarHBondContact O-N 3.38Å; C174-T178 PolarHBondContact O-OG1 3.22Å; C174-T178 VanDerWaalsContact O-OG1 3.09Å; T178-A181 PolarHBondContact O-N 2.79Å; T178-L182 VanDerWaalsContact O-CB 3.24Å; T178-L182 WeakPolarHBondContact O-CB 3.48Å; T178-L182 PolarHBondContact O-N 3.45Å; T178-V221 HydrophobicContact CG2-CG2 4.22Å; T178-A224 HydrophobicContact CG2-CB 4.35Å; T178-H295 WeakPolarHBondContact CA-NE2 3.41Å; T178-H295 PolarHBondContact OG1-NE2 2.94Å
179	L	98.7	Very high	98.3	Very high	15 Å²	15	14.3 Å²	14.3	8%	0.079	8%	0.077	C	C	.	.	H	α-helix	trans	-61.9	-47.8	175.4	175.5	59.9	0	0	0	111.7	S175 E176 A181 L182 L183 A224 I227 I375	S175-L179 PolarHBondContact O-N 3.34Å; S175-L179 VanDerWaalsContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 3.33Å; L179-A181 VanDerWaalsContact C-N 3.35Å; L179-A181 PolarHBondContact O-N 3.1Å; L179-L182 PolarHBondContact O-N 3.05Å; L179-L183 HydrophobicContact CD1-CD1 3.87Å; L179-L183 HydrophobicContact CD1-CD2 4.35Å; L179-L183 HydrophobicContact CD1-CG 3.89Å; L179-L183 HydrophobicContact CG-CD1 4.01Å; L179-L183 HydrophobicContact CG-CG 4.41Å; L179-L183 WeakPolarHBondContact O-CB 3.05Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.17Å; L179-A224 HydrophobicContact CB-CB 4.13Å; L179-A224 HydrophobicContact CD1-CB 4.15Å; L179-I227 HydrophobicContact CD1-CB 4.2Å; L179-I227 HydrophobicContact CD1-CG2 3.99Å; L179-I227 HydrophobicContact CD2-CD1 4.09Å; L179-I227 HydrophobicContact CD2-CG2 4.01Å; L179-I375 HydrophobicContact CD2-CD1 3.48Å; L179-I375 VanDerWaalsContact CD2-CD1 3.48Å; L179-I375 HydrophobicContact CG-CD1 4.02Å
180	V	98.4	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-45.3	177.9	169.7	0	0	0	0	111.1	E176 S177 L183 A184 Y342 V348 F352 I375	E176-V180 VanDerWaalsContact O-CG2 3.31Å; E176-V180 WeakPolarHBondContact O-CG2 3.16Å; E176-V180 PolarHBondContact O-N 3.12Å; S177-V180 PolarHBondContact O-N 2.89Å; V180-L183 PolarHBondContact O-N 3.48Å; V180-A184 WeakPolarHBondContact O-CB 3.43Å; V180-A184 PolarHBondContact O-N 3.43Å; V180-Y342 VanDerWaalsContact CG1-OH 3.25Å; V180-Y342 WeakPolarHBondContact CG1-OH 3.4Å; V180-V348 HydrophobicContact CG1-CG1 3.65Å; V180-F352 HydrophobicContact CB-CE2 4.43Å; V180-F352 HydrophobicContact CB-CZ 4.33Å; V180-F352 HydrophobicContact CG1-CE2 3.71Å; V180-F352 HydrophobicContact CG1-CZ 4.09Å; V180-F352 HydrophobicContact CG2-CZ 4.18Å; V180-I375 HydrophobicContact CG2-CD1 4.21Å; V180-I375 HydrophobicContact CG2-CG1 3.87Å
181	A	98.6	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-44.4	176.1	0	0	0	0	0	112.2	S177 T178 L179 A184 A185 F264 Y342	S177-A181 WeakPolarHBondContact O-CB 3.34Å; S177-A181 PolarHBondContact O-N 3.38Å; T178-A181 PolarHBondContact O-N 2.79Å; L179-A181 VanDerWaalsContact C-N 3.35Å; L179-A181 PolarHBondContact O-N 3.1Å; A181-A184 PolarHBondContact O-N 3.41Å; A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 2.85Å; A181-F264 HydrophobicContact CB-CE2 4.43Å; A181-Y342 HydrophobicContact CB-CE1 4.22Å
182	L	98.7	Very high	98.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-43.6	178.2	-178.5	68.6	0	0	0	111.9	T178 L179 A185 R186 A224 L230 L232 F263 F264	T178-L182 VanDerWaalsContact O-CB 3.24Å; T178-L182 WeakPolarHBondContact O-CB 3.48Å; T178-L182 PolarHBondContact O-N 3.45Å; L179-L182 PolarHBondContact O-N 3.05Å; L182-A185 PolarHBondContact O-N 3.25Å; L182-R186 WeakPolarHBondContact O-CB 3.48Å; L182-R186 PolarHBondContact O-N 3.16Å; L182-A224 VanDerWaalsContact CD2-C 3.47Å; L182-A224 HydrophobicContact CD2-CB 3.69Å; L182-A224 WeakPolarHBondContact CD2-O 3.19Å; L182-L230 HydrophobicContact CD1-CD1 3.94Å; L182-L230 HydrophobicContact CD2-CD1 3.67Å; L182-L230 HydrophobicContact CG-CD1 3.57Å; L182-L232 HydrophobicContact CD1-CD2 4.24Å; L182-L232 HydrophobicContact CD2-CD1 4.34Å; L182-F263 HydrophobicContact CD1-CE2 3.85Å; L182-F263 HydrophobicContact CD1-CZ 3.85Å; L182-F264 HydrophobicContact CB-CE2 4.17Å; L182-F264 HydrophobicContact CB-CZ 4.18Å; L182-F264 HydrophobicContact CD1-CB 3.92Å; L182-F264 HydrophobicContact CD1-CD1 3.47Å; L182-F264 VanDerWaalsContact CD1-CD1 3.47Å; L182-F264 HydrophobicContact CD1-CD2 3.83Å; L182-F264 HydrophobicContact CD1-CE1 3.78Å; L182-F264 HydrophobicContact CD1-CE2 4.13Å; L182-F264 HydrophobicContact CD1-CG 3.47Å; L182-F264 VanDerWaalsContact CD1-CG 3.47Å; L182-F264 HydrophobicContact CD1-CZ 4.1Å
183	L	98.3	Very high	98.1	Very high	21 Å²	21	23.2 Å²	23.2	11%	0.11	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-37.9	177.7	-67.4	175.6	0	0	0	112	L179 V180 R186 N187 F352	L179-L183 HydrophobicContact CD1-CD1 3.87Å; L179-L183 HydrophobicContact CD1-CD2 4.35Å; L179-L183 HydrophobicContact CD1-CG 3.89Å; L179-L183 HydrophobicContact CG-CD1 4.01Å; L179-L183 HydrophobicContact CG-CG 4.41Å; L179-L183 WeakPolarHBondContact O-CB 3.05Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.17Å; V180-L183 PolarHBondContact O-N 3.48Å; L183-R186 VanDerWaalsContact CD2-NH1 3.32Å; L183-R186 PolarHBondContact O-N 3.05Å; L183-N187 VanDerWaalsContact O-CG 3.28Å; L183-N187 PolarHBondContact O-N 3.06Å; L183-F352 HydrophobicContact CB-CZ 3.96Å; L183-F352 HydrophobicContact CD1-CE1 3.99Å; L183-F352 HydrophobicContact CD1-CZ 3.9Å
184	A	98.2	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-46.3	173.5	0	0	0	0	0	111.6	V180 A181 R186 N187 K188 W293 V348	V180-A184 WeakPolarHBondContact O-CB 3.43Å; V180-A184 PolarHBondContact O-N 3.43Å; A181-A184 PolarHBondContact O-N 3.41Å; A184-R186 VanDerWaalsContact C-N 3.35Å; A184-R186 PolarHBondContact O-N 2.92Å; A184-N187 PolarHBondContact O-N 3.24Å; A184-K188 PolarHBondContact O-N 3.07Å; A184-W293 HydrophobicContact CB-CH2 4.29Å; A184-V348 HydrophobicContact CB-CB 4.4Å; A184-V348 HydrophobicContact CB-CG2 3.95Å
185	A	98.6	Very high	98.1	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-44.1	175.3	0	0	0	0	0	111.9	A181 L182 N187 K188 A189 F263 F264 W293	A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 2.85Å; L182-A185 PolarHBondContact O-N 3.25Å; A185-N187 PolarHBondContact O-N 3.12Å; A185-K188 WeakPolarHBondContact O-CB 3.25Å; A185-K188 PolarHBondContact O-N 2.91Å; A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 2.64Å; A185-F263 HydrophobicContact CB-CD2 4.01Å; A185-F263 HydrophobicContact CB-CE2 4.25Å; A185-F264 HydrophobicContact CB-CB 4.45Å; A185-F264 HydrophobicContact CB-CD2 3.69Å; A185-F264 HydrophobicContact CB-CE2 4.48Å; A185-W293 HydrophobicContact CB-CB 3.54Å; A185-W293 HydrophobicContact CB-CD2 3.75Å; A185-W293 HydrophobicContact CB-CE3 3.91Å; A185-W293 HydrophobicContact CB-CG 3.6Å
186	R	98.2	Very high	98	Very high	56 Å²	56	31.8 Å²	31.8	21%	0.211	16%	0.155	C	C	.	.	H	α-helix	trans	-56.9	-50.9	174.8	177	-162.3	73	-175.9	-0.7	111.3	L182 L183 A184 K188 A189 I190 L206 L209 L230 F263	L182-R186 WeakPolarHBondContact O-CB 3.48Å; L182-R186 PolarHBondContact O-N 3.16Å; L183-R186 VanDerWaalsContact CD2-NH1 3.32Å; L183-R186 PolarHBondContact O-N 3.05Å; A184-R186 VanDerWaalsContact C-N 3.35Å; A184-R186 PolarHBondContact O-N 2.92Å; R186-K188 VanDerWaalsContact C-N 3.32Å; R186-K188 PolarHBondContact O-N 3.38Å; R186-A189 PolarHBondContact O-N 3.35Å; R186-A189 VanDerWaalsContact O-N 3.17Å; R186-I190 HydrophobicContact CG-CD1 3.91Å; R186-I190 HydrophobicContact CG-CG1 4.49Å; R186-I190 WeakPolarHBondContact O-CG1 3.46Å; R186-I190 PolarHBondContact O-N 3.4Å; R186-L206 HydrophobicContact CG-CD1 3.94Å; R186-L209 HydrophobicContact CB-CD1 4.41Å; R186-L209 HydrophobicContact CG-CD1 3.81Å; R186-L230 HydrophobicContact CB-CD1 4.31Å; R186-L230 HydrophobicContact CB-CD2 4.4Å; R186-L230 HydrophobicContact CG-CD1 4.48Å; R186-L230 HydrophobicContact CG-CD2 3.88Å; R186-F263 HydrophobicContact CB-CE2 4.05Å
187	N	97.3	Very high	97.9	Very high	36 Å²	36	32.6 Å²	32.6	19%	0.193	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-35.9	-177.6	-70.4	-6.3	0	0	0	111.9	L183 A184 A185 R191 S351	L183-N187 VanDerWaalsContact O-CG 3.28Å; L183-N187 PolarHBondContact O-N 3.06Å; A184-N187 PolarHBondContact O-N 3.24Å; A185-N187 PolarHBondContact O-N 3.12Å; N187-R191 PolarHBondContact O-N 3.08Å; N187-S351 WeakPolarHBondContact CB-OG 3.35Å; N187-S351 WeakPolarHBondContact ND2-CA 3.45Å; N187-S351 WeakPolarHBondContact ND2-CB 3.39Å; N187-S351 PolarHBondContact ND2-OG 2.91Å
188	K	97.6	Very high	97.8	Very high	17 Å²	17	37.6 Å²	37.6	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-49.8	169.4	178.8	179.4	176.6	-178	0	110.8	A184 A185 R186 R191 Q192 W293 W347	A184-K188 PolarHBondContact O-N 3.07Å; A185-K188 WeakPolarHBondContact O-CB 3.25Å; A185-K188 PolarHBondContact O-N 2.91Å; R186-K188 VanDerWaalsContact C-N 3.32Å; R186-K188 PolarHBondContact O-N 3.38Å; K188-R191 PolarHBondContact O-N 3.23Å; K188-Q192 WeakPolarHBondContact O-CG 3.28Å; K188-Q192 PolarHBondContact O-N 2.85Å; K188-W293 HydrophobicContact CD-CE3 4.1Å; K188-W293 HydrophobicContact CD-CZ3 4.27Å; K188-W347 HydrophobicContact CB-CD2 3.8Å; K188-W347 HydrophobicContact CB-CE3 3.59Å; K188-W347 HydrophobicContact CB-CG 4.35Å; K188-W347 HydrophobicContact CB-CH2 4.4Å; K188-W347 HydrophobicContact CB-CZ3 3.9Å; K188-W347 HydrophobicContact CD-CD2 3.95Å; K188-W347 HydrophobicContact CD-CG 4.15Å; K188-W347 HydrophobicContact CD-CZ2 4.23Å; K188-W347 HydrophobicContact CG-CD2 3.8Å; K188-W347 HydrophobicContact CG-CE3 3.92Å; K188-W347 HydrophobicContact CG-CG 4.45Å; K188-W347 HydrophobicContact CG-CH2 3.97Å; K188-W347 HydrophobicContact CG-CZ2 3.86Å; K188-W347 HydrophobicContact CG-CZ3 3.99Å
189	A	98.1	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-38.3	-177.8	0	0	0	0	0	113.4	A185 R186 R191 Q192 Y193 L209 F261 F263	A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 2.64Å; R186-A189 PolarHBondContact O-N 3.35Å; R186-A189 VanDerWaalsContact O-N 3.17Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 3.21Å; A189-Q192 PolarHBondContact O-N 2.98Å; A189-Y193 WeakPolarHBondContact O-CB 3.46Å; A189-Y193 PolarHBondContact O-N 2.83Å; A189-L209 HydrophobicContact CB-CD1 3.95Å; A189-L209 HydrophobicContact CB-CD2 3.74Å; A189-F261 HydrophobicContact CB-CD1 4.38Å; A189-F261 HydrophobicContact CB-CE1 4.24Å; A189-F263 HydrophobicContact CB-CB 3.46Å; A189-F263 VanDerWaalsContact CB-CB 3.46Å; A189-F263 HydrophobicContact CB-CD2 4.2Å; A189-F263 HydrophobicContact CB-CG 4.04Å
190	I	97.9	Very high	97.7	Very high	13 Å²	13	45 Å²	45	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-47.5	173.1	-72.5	167.2	0	0	0	110.2	R186 Q192 Y193 Q194 T202 A205 L209	R186-I190 HydrophobicContact CG-CD1 3.91Å; R186-I190 HydrophobicContact CG-CG1 4.49Å; R186-I190 WeakPolarHBondContact O-CG1 3.46Å; R186-I190 PolarHBondContact O-N 3.4Å; I190-Q192 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 3.16Å; I190-Y193 PolarHBondContact O-N 3.25Å; I190-Q194 WeakPolarHBondContact O-CB 3.3Å; I190-Q194 WeakPolarHBondContact O-CG 3.08Å; I190-Q194 PolarHBondContact O-N 3.01Å; I190-T202 HydrophobicContact CD1-CG2 4.04Å; I190-T202 HydrophobicContact CG2-CG2 4.24Å; I190-A205 HydrophobicContact CB-CB 4.4Å; I190-A205 HydrophobicContact CG1-CB 4.22Å; I190-A205 HydrophobicContact CG2-CB 4.1Å; I190-L209 HydrophobicContact CG1-CD1 4.11Å
191	R	97	Very high	97.7	Very high	129 Å²	129	47.7 Å²	47.7	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-39.7	178.1	-68.7	-169.7	-170.9	168.4	-3.5	112.1	N187 K188 A189 S195	N187-R191 PolarHBondContact O-N 3.08Å; K188-R191 PolarHBondContact O-N 3.23Å; A189-R191 VanDerWaalsContact C-N 3.33Å; A189-R191 PolarHBondContact O-N 3.21Å; R191-S195 PolarHBondContact O-N 3.4Å
192	Q	97.1	Very high	97.6	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-47.2	175.9	-70.8	172.5	-31.5	0	0	111.4	K188 A189 I190 Q194 S195 I196 F261 N291	K188-Q192 WeakPolarHBondContact O-CG 3.28Å; K188-Q192 PolarHBondContact O-N 2.85Å; A189-Q192 PolarHBondContact O-N 2.98Å; I190-Q192 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 3.16Å; Q192-Q194 PolarHBondContact O-N 2.97Å; Q192-S195 WeakPolarHBondContact O-CB 3.33Å; Q192-S195 PolarHBondContact O-N 3.06Å; Q192-S195 VanDerWaalsContact O-N 3.16Å; Q192-S195 PolarHBondContact O-OG 3.17Å; Q192-I196 PolarHBondContact O-N 2.84Å; Q192-F261 HydrophobicContact CB-CE1 4.42Å; Q192-F261 HydrophobicContact CB-CZ 4.06Å; Q192-N291 PolarHBondContact NE2-ND2 2.87Å
193	Y	97.8	Very high	97.5	Very high	17 Å²	17	60.5 Å²	60.5	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-45.2	177.7	-174.7	-86.5	0	0	0	111.6	A189 I190 S195 I196 H197 A200 A205 K208 F261	A189-Y193 WeakPolarHBondContact O-CB 3.46Å; A189-Y193 PolarHBondContact O-N 2.83Å; I190-Y193 PolarHBondContact O-N 3.25Å; Y193-S195 VanDerWaalsContact C-N 3.29Å; Y193-S195 PolarHBondContact O-N 3.16Å; Y193-I196 PolarHBondContact O-N 2.81Å; Y193-I196 VanDerWaalsContact O-N 3.12Å; Y193-H197 HydrophobicContact CD1-CB 4.23Å; Y193-H197 AromaticContact CD1-ND1 3.87Å; Y193-H197 AromaticContact CD2-ND1 3.86Å; Y193-H197 HydrophobicContact CE1-CB 3.82Å; Y193-H197 AromaticContact CE1-CG 3.81Å; Y193-H197 AromaticContact CE1-ND1 3.57Å; Y193-H197 AromaticContact CE2-CE1 3.69Å; Y193-H197 AromaticContact CE2-ND1 3.55Å; Y193-H197 AromaticContact CZ-CE1 3.78Å; Y193-H197 AromaticContact CZ-CG 3.85Å; Y193-H197 AromaticContact CZ-ND1 3.39Å; Y193-H197 PolarHBondContact O-N 2.96Å; Y193-H197 PolarHBondContact O-ND1 3.23Å; Y193-A200 HydrophobicContact CD1-CB 3.98Å; Y193-A200 HydrophobicContact CE1-CB 3.6Å; Y193-A205 HydrophobicContact CD1-CB 3.56Å; Y193-A205 HydrophobicContact CE1-CB 4.28Å; Y193-A205 HydrophobicContact CG-CB 4.06Å; Y193-K208 HydrophobicContact CD2-CB 4.32Å; Y193-K208 HydrophobicContact CE2-CB 3.86Å; Y193-K208 HydrophobicContact CE2-CG 3.77Å; Y193-F261 HydrophobicContact CD2-CB 4.24Å; Y193-F261 AromaticContact CD2-CD2 3.87Å; Y193-F261 HydrophobicContact CD2-CD2 3.87Å; Y193-F261 HydrophobicContact CD2-CG 4.14Å
194	Q	97.7	Very high	97.4	Very high	57 Å²	57	63.5 Å²	63.5	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-28.3	177.3	-72.5	177.5	-40.4	0	0	113.1	I190 Q192 I196 H197 P198 A200 A205	I190-Q194 WeakPolarHBondContact O-CB 3.3Å; I190-Q194 WeakPolarHBondContact O-CG 3.08Å; I190-Q194 PolarHBondContact O-N 3.01Å; Q192-Q194 PolarHBondContact O-N 2.97Å; Q194-I196 PolarHBondContact O-N 3.49Å; Q194-H197 CarbonylContact O-C 3.6Å; Q194-H197 PolarHBondContact O-N 2.65Å; Q194-P198 WeakPolarHBondContact O-CA 3.32Å; Q194-P198 VanDerWaalsContact O-N 3.14Å; Q194-A200 PolarHBondContact NE2-O 3.14Å; Q194-A205 HydrophobicContact CG-CB 4.41Å
195	S	97.4	Very high	97.4	Very high	92 Å²	92	63.5 Å²	63.5	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-29.1	173	77	0	0	0	0	112.7	R191 Q192 Y193	R191-S195 PolarHBondContact O-N 3.4Å; Q192-S195 WeakPolarHBondContact O-CB 3.33Å; Q192-S195 PolarHBondContact O-N 3.06Å; Q192-S195 VanDerWaalsContact O-N 3.16Å; Q192-S195 PolarHBondContact O-OG 3.17Å; Y193-S195 VanDerWaalsContact C-N 3.29Å; Y193-S195 PolarHBondContact O-N 3.16Å
196	I	96.7	Very high	97.3	Very high	107 Å²	107	65.2 Å²	65.2	55%	0.549	33%	0.331	S	S	.	.	H	α-helix	trans	-88.4	-32.7	176.3	-56.9	164.5	0	0	0	110.7	Q192 Y193 Q194 P198 F261	Q192-I196 PolarHBondContact O-N 2.84Å; Y193-I196 PolarHBondContact O-N 2.81Å; Y193-I196 VanDerWaalsContact O-N 3.12Å; Q194-I196 PolarHBondContact O-N 3.49Å; I196-P198 WeakPolarHBondContact O-CD 3.23Å; I196-F261 HydrophobicContact CD1-CE2 4.17Å
197	H	97.3	Very high	97.3	Very high	81 Å²	81	66.5 Å²	66.5	38%	0.375	35%	0.349	S	S	.	.	S	Bend	trans	-124.9	78.2	-179.1	-52.5	93	0	0	0	110.6	Y193 Q194 N199 A200	Y193-H197 HydrophobicContact CD1-CB 4.23Å; Y193-H197 AromaticContact CD1-ND1 3.87Å; Y193-H197 AromaticContact CD2-ND1 3.86Å; Y193-H197 HydrophobicContact CE1-CB 3.82Å; Y193-H197 AromaticContact CE1-CG 3.81Å; Y193-H197 AromaticContact CE1-ND1 3.57Å; Y193-H197 AromaticContact CE2-CE1 3.69Å; Y193-H197 AromaticContact CE2-ND1 3.55Å; Y193-H197 AromaticContact CZ-CE1 3.78Å; Y193-H197 AromaticContact CZ-CG 3.85Å; Y193-H197 AromaticContact CZ-ND1 3.39Å; Y193-H197 PolarHBondContact O-N 2.96Å; Y193-H197 PolarHBondContact O-ND1 3.23Å; Q194-H197 CarbonylContact O-C 3.6Å; Q194-H197 PolarHBondContact O-N 2.65Å; H197-N199 PolarHBondContact O-N 3.12Å; H197-A200 HydrophobicContact CB-CB 3.92Å; H197-A200 VanDerWaalsContact O-CB 3.28Å; H197-A200 WeakPolarHBondContact O-CB 3.4Å; H197-A200 PolarHBondContact O-N 3.35Å
198	P	96.6	Very high	97.3	Very high	106 Å²	106	68.2 Å²	68.2	69%	0.688	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.9	-171	-27.9	36.3	0	0	0	115.6	Q194 I196	Q194-P198 WeakPolarHBondContact O-CA 3.32Å; Q194-P198 VanDerWaalsContact O-N 3.14Å; I196-P198 WeakPolarHBondContact O-CD 3.23Å
199	N	97	Very high	97.4	Very high	163 Å²	163	67.5 Å²	67.5	87%	0.872	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.3	179.4	-61.8	-31.4	0	0	0	113.3	H197 S201	H197-N199 PolarHBondContact O-N 3.12Å; N199-S201 PolarHBondContact O-N 3.06Å
200	A	97.4	Very high	97.4	Very high	7 Å²	7	67.5 Å²	67.5	6%	0.058	35%	0.351	C	S	.	.			trans	-71.8	126.8	-176.9	0	0	0	0	0	111.1	Y193 Q194 H197 E204	Y193-A200 HydrophobicContact CD1-CB 3.98Å; Y193-A200 HydrophobicContact CE1-CB 3.6Å; Q194-A200 PolarHBondContact NE2-O 3.14Å; H197-A200 HydrophobicContact CB-CB 3.92Å; H197-A200 VanDerWaalsContact O-CB 3.28Å; H197-A200 WeakPolarHBondContact O-CB 3.4Å; H197-A200 PolarHBondContact O-N 3.35Å; A200-E204 WeakPolarHBondContact CA-OE2 3.31Å; A200-E204 HydrophobicContact CB-CB 4.38Å; A200-E204 HydrophobicContact CB-CG 4.34Å
201	S	97.7	Very high	97.4	Very high	57 Å²	57	66.9 Å²	66.9	40%	0.399	35%	0.348	S	S	.	.			trans	-65.5	160.8	170.3	73.5	0	0	0	0	110.8	N199 Y203 E204 A205	N199-S201 PolarHBondContact O-N 3.06Å; S201-Y203 PolarHBondContact O-N 2.92Å; S201-Y203 PolarHBondContact OG-N 3.34Å; S201-E204 PolarHBondContact O-N 3.06Å; S201-E204 VanDerWaalsContact O-N 3.14Å; S201-E204 WeakPolarHBondContact OG-CB 3.16Å; S201-E204 PolarHBondContact OG-N 3.04Å; S201-A205 PolarHBondContact O-N 3.41Å
202	T	96.5	Very high	97.5	Very high	75 Å²	75	60.7 Å²	60.7	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-54	-38.5	172.3	-57	0	0	0	0	111.9	I190 L206	I190-T202 HydrophobicContact CD1-CG2 4.04Å; I190-T202 HydrophobicContact CG2-CG2 4.24Å; T202-L206 VanDerWaalsContact O-CB 3.27Å; T202-L206 WeakPolarHBondContact O-CB 3.32Å; T202-L206 PolarHBondContact O-N 2.95Å
203	Y	96.6	Very high	97.6	Very high	194 Å²	194	59.9 Å²	59.9	76%	0.761	32%	0.32	S	S	*	.	H	α-helix	trans	-71.5	-37.1	179.5	-59.5	-70.7	0	0	0	112.5	S201 L206 S207	S201-Y203 PolarHBondContact O-N 2.92Å; S201-Y203 PolarHBondContact OG-N 3.34Å; Y203-L206 PolarHBondContact O-N 2.97Å; Y203-S207 WeakPolarHBondContact O-CB 3.17Å; Y203-S207 PolarHBondContact O-N 3.41Å
204	E	97.2	Very high	97.6	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-49.8	173.8	-175	-176.5	162.7	0	0	110.4	A200 S201 L206 S207 K208	A200-E204 WeakPolarHBondContact CA-OE2 3.31Å; A200-E204 HydrophobicContact CB-CB 4.38Å; A200-E204 HydrophobicContact CB-CG 4.34Å; S201-E204 PolarHBondContact O-N 3.06Å; S201-E204 VanDerWaalsContact O-N 3.14Å; S201-E204 WeakPolarHBondContact OG-CB 3.16Å; S201-E204 PolarHBondContact OG-N 3.04Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 2.75Å; E204-S207 PolarHBondContact O-N 3.17Å; E204-S207 VanDerWaalsContact O-N 3.15Å; E204-S207 PolarHBondContact O-OG 2.92Å; E204-K208 WeakPolarHBondContact O-CG 3.02Å; E204-K208 PolarHBondContact O-N 3.43Å
205	A	97.7	Very high	97.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.2	-46.4	175.2	0	0	0	0	0	111.4	I190 Y193 Q194 S201 S207 K208 L209	I190-A205 HydrophobicContact CB-CB 4.4Å; I190-A205 HydrophobicContact CG1-CB 4.22Å; I190-A205 HydrophobicContact CG2-CB 4.1Å; Y193-A205 HydrophobicContact CD1-CB 3.56Å; Y193-A205 HydrophobicContact CE1-CB 4.28Å; Y193-A205 HydrophobicContact CG-CB 4.06Å; Q194-A205 HydrophobicContact CG-CB 4.41Å; S201-A205 PolarHBondContact O-N 3.41Å; A205-S207 VanDerWaalsContact C-N 3.32Å; A205-S207 PolarHBondContact O-N 3.02Å; A205-K208 PolarHBondContact O-N 3.17Å; A205-K208 VanDerWaalsContact O-N 3.12Å; A205-L209 WeakPolarHBondContact O-CG 3.46Å; A205-L209 PolarHBondContact O-N 3.37Å
206	L	97.3	Very high	97.5	Very high	39 Å²	39	55.1 Å²	55.1	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-43.4	177	-177.2	65.9	0	0	0	112.3	R186 T202 Y203 E204 K208 L209 L230	R186-L206 HydrophobicContact CG-CD1 3.94Å; T202-L206 VanDerWaalsContact O-CB 3.27Å; T202-L206 WeakPolarHBondContact O-CB 3.32Å; T202-L206 PolarHBondContact O-N 2.95Å; Y203-L206 PolarHBondContact O-N 2.97Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 2.75Å; L206-K208 PolarHBondContact O-N 3.28Å; L206-K208 VanDerWaalsContact O-N 3.15Å; L206-L209 HydrophobicContact CD1-CD1 4.42Å; L206-L209 PolarHBondContact O-N 3.5Å; L206-L209 VanDerWaalsContact O-N 3.11Å; L206-L230 HydrophobicContact CD1-CD2 3.54Å
207	S	97	Very high	97.5	Very high	83 Å²	83	50.8 Å²	50.8	58%	0.58	27%	0.27	S	S	*	.	H	α-helix	trans	-64.4	-17.1	-179.7	76.2	0	0	0	0	114.2	Y203 E204 A205	Y203-S207 WeakPolarHBondContact O-CB 3.17Å; Y203-S207 PolarHBondContact O-N 3.41Å; E204-S207 PolarHBondContact O-N 3.17Å; E204-S207 VanDerWaalsContact O-N 3.15Å; E204-S207 PolarHBondContact O-OG 2.92Å; A205-S207 VanDerWaalsContact C-N 3.32Å; A205-S207 PolarHBondContact O-N 3.02Å
208	K	98.1	Very high	97.6	Very high	71 Å²	71	50 Å²	50	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-91.9	-17.9	177.4	-60.3	-59.5	-172.9	173	0	113.1	Y193 E204 A205 L206 L260 F261	Y193-K208 HydrophobicContact CD2-CB 4.32Å; Y193-K208 HydrophobicContact CE2-CB 3.86Å; Y193-K208 HydrophobicContact CE2-CG 3.77Å; E204-K208 WeakPolarHBondContact O-CG 3.02Å; E204-K208 PolarHBondContact O-N 3.43Å; A205-K208 PolarHBondContact O-N 3.17Å; A205-K208 VanDerWaalsContact O-N 3.12Å; L206-K208 PolarHBondContact O-N 3.28Å; L206-K208 VanDerWaalsContact O-N 3.15Å; K208-L260 CarbonylContact O-C 3.55Å; K208-L260 WeakPolarHBondContact O-CA 3.46Å; K208-F261 HydrophobicContact CB-CB 4.39Å; K208-F261 PolarHBondContact O-N 2.81Å
209	L	98.6	Very high	97.6	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.3	-174.2	-61	-167.1	0	0	0	111.8	R186 A189 I190 A205 L206 L230 F261 F263	R186-L209 HydrophobicContact CB-CD1 4.41Å; R186-L209 HydrophobicContact CG-CD1 3.81Å; A189-L209 HydrophobicContact CB-CD1 3.95Å; A189-L209 HydrophobicContact CB-CD2 3.74Å; I190-L209 HydrophobicContact CG1-CD1 4.11Å; A205-L209 WeakPolarHBondContact O-CG 3.46Å; A205-L209 PolarHBondContact O-N 3.37Å; L206-L209 HydrophobicContact CD1-CD1 4.42Å; L206-L209 PolarHBondContact O-N 3.5Å; L206-L209 VanDerWaalsContact O-N 3.11Å; L209-L230 HydrophobicContact CB-CD2 4.47Å; L209-L230 HydrophobicContact CD1-CD2 4.41Å; L209-F261 WeakPolarHBondContact CA-O 3.5Å; L209-F261 HydrophobicContact CD2-CB 4.03Å; L209-F261 HydrophobicContact CD2-CD1 3.78Å; L209-F261 HydrophobicContact CD2-CG 4.25Å; L209-F263 HydrophobicContact CB-CD1 3.61Å; L209-F263 HydrophobicContact CB-CE1 3.74Å; L209-F263 HydrophobicContact CB-CG 4.35Å; L209-F263 HydrophobicContact CD1-CD1 4.33Å; L209-F263 HydrophobicContact CD1-CD2 4.48Å; L209-F263 HydrophobicContact CD1-CG 4.32Å; L209-F263 HydrophobicContact CG-CD1 4.36Å
210	V	98.8	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.9	171.6	60.2	0	0	0	0	111.5	Y212 H231 R233 D255 L260 F261 P262 F263	V210-Y212 WeakPolarHBondContact CG1-OH 3.23Å; V210-Y212 HydrophobicContact CG2-CE1 4.14Å; V210-H231 WeakPolarHBondContact CA-O 3.48Å; V210-R233 HydrophobicContact CG2-CG 3.99Å; V210-D255 HydrophobicContact CG1-CB 4.1Å; V210-L260 HydrophobicContact CB-CB 4.46Å; V210-L260 HydrophobicContact CB-CD1 4.26Å; V210-L260 HydrophobicContact CG1-CB 3.79Å; V210-L260 HydrophobicContact CG1-CD1 4.23Å; V210-F261 PolarHBondContact N-O 3.39Å; V210-F261 VanDerWaalsContact N-O 3.08Å; V210-P262 HydrophobicContact CG1-CG 4.43Å; V210-P262 WeakPolarHBondContact O-CA 3.12Å; V210-F263 VanDerWaalsContact C-CD1 3.43Å; V210-F263 VanDerWaalsContact C-CE1 3.42Å; V210-F263 WeakPolarHBondContact O-CD1 3.45Å; V210-F263 PolarHBondContact O-N 3.27Å
211	G	98.8	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	167.6	175.4	0	0	0	0	0	112.7	H231 L232 R233 F264	G211-H231 PolarHBondContact N-O 3.26Å; G211-L232 CarbonylContact O-C 3.55Å; G211-L232 WeakPolarHBondContact O-CA 3.44Å; G211-R233 PolarHBondContact O-N 3.05Å; G211-F264 CarbonylContact C-O 3.36Å; G211-F264 WeakPolarHBondContact CA-O 3.42Å
212	Y	98.9	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.3	-173.3	-45.4	-80.9	0	0	0	111.5	V210 R233 I235 L248 T251 I252 D255 P262 F264 C265 C266 I292	V210-Y212 WeakPolarHBondContact CG1-OH 3.23Å; V210-Y212 HydrophobicContact CG2-CE1 4.14Å; Y212-R233 WeakPolarHBondContact CA-O 3.44Å; Y212-R233 HydrophobicContact CD1-CB 4.16Å; Y212-I235 HydrophobicContact CD1-CD1 4Å; Y212-L248 HydrophobicContact CD2-CD1 4.42Å; Y212-L248 HydrophobicContact CG-CD1 4.04Å; Y212-T251 HydrophobicContact CD1-CG2 4.26Å; Y212-T251 HydrophobicContact CE1-CG2 3.9Å; Y212-I252 HydrophobicContact CD2-CD1 4.47Å; Y212-I252 HydrophobicContact CD2-CG1 4.12Å; Y212-I252 HydrophobicContact CE1-CG1 4.13Å; Y212-I252 HydrophobicContact CE2-CD1 4.27Å; Y212-I252 HydrophobicContact CE2-CG1 3.57Å; Y212-D255 WeakPolarHBondContact CE1-OD2 3.37Å; Y212-D255 PolarHBondContact OH-OD2 3.3Å; Y212-P262 HydrophobicContact CE2-CB 3.92Å; Y212-P262 WeakPolarHBondContact OH-CG 3.31Å; Y212-F264 WeakPolarHBondContact CD2-O 3.18Å; Y212-F264 PolarHBondContact N-O 2.85Å; Y212-C265 CarbonylContact O-C 3.57Å; Y212-C265 VanDerWaalsContact O-CA 3.28Å; Y212-C265 WeakPolarHBondContact O-CA 3.4Å; Y212-C266 PolarHBondContact O-N 3.23Å; Y212-I292 HydrophobicContact CE2-CD1 4.13Å
213	Y	98.7	Very high	97.8	Very high	22 Å²	22	47.2 Å²	47.2	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	160.5	173.8	63.1	-80.5	0	0	0	109.8	A217 V221 E222 L232 R233 A234 I235	Y213-A217 HydrophobicContact CD2-CB 3.78Å; Y213-V221 HydrophobicContact CD1-CG1 4.02Å; Y213-V221 HydrophobicContact CD2-CB 4.45Å; Y213-V221 HydrophobicContact CD2-CG1 4.23Å; Y213-V221 HydrophobicContact CG-CB 4.41Å; Y213-V221 HydrophobicContact CG-CG1 3.7Å; Y213-E222 HydrophobicContact CE2-CG 3.9Å; Y213-E222 VanDerWaalsContact OH-CG 3.31Å; Y213-E222 WeakPolarHBondContact OH-CG 3.3Å; Y213-L232 HydrophobicContact CD1-CB 3.95Å; Y213-L232 HydrophobicContact CE1-CB 3.7Å; Y213-R233 WeakPolarHBondContact CD1-O 3.14Å; Y213-R233 PolarHBondContact N-O 3.12Å; Y213-R233 VanDerWaalsContact N-O 3.11Å; Y213-A234 HydrophobicContact CE1-CB 4.34Å; Y213-A234 HydrophobicContact CE2-CB 3.87Å; Y213-A234 CarbonylContact O-C 3.59Å; Y213-A234 WeakPolarHBondContact O-CA 3.36Å; Y213-I235 PolarHBondContact O-N 2.76Å
214	S	96.7	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	144	176.3	-177.4	0	0	0	0	110.2	Q216 A217 M243	S214-Q216 PolarHBondContact O-N 3.24Å; S214-Q216 PolarHBondContact OG-N 2.64Å; S214-A217 VanDerWaalsContact O-CB 3.23Å; S214-A217 WeakPolarHBondContact O-CB 3.3Å; S214-A217 PolarHBondContact O-N 2.9Å; S214-M243 VanDerWaalsContact N-CE 3.34Å
215	D	96.1	Very high	97.9	Very high	49 Å²	49	34.3 Å²	34.3	26%	0.262	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9	168.7	69.9	4.7	0	0	0	113.3	A234 I235 K236 S237	D215-A234 HydrophobicContact CB-CB 4.25Å; D215-I235 PolarHBondContact N-O 3.02Å; D215-K236 WeakPolarHBondContact OD2-CA 3.46Å; D215-S237 WeakPolarHBondContact OD1-CB 3.11Å; D215-S237 PolarHBondContact OD1-N 3.37Å; D215-S237 PolarHBondContact OD1-OG 3Å; D215-S237 PolarHBondContact OD2-N 3.12Å; D215-S237 VanDerWaalsContact OD2-N 3.12Å; D215-S237 PolarHBondContact OD2-OG 2.86Å
216	Q	96.9	Very high	98	Very high	17 Å²	17	41 Å²	41	8%	0.079	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.7	172	-55.3	-52.8	-59.6	0	0	114.1	S214 S237 Y241 T271	S214-Q216 PolarHBondContact O-N 3.24Å; S214-Q216 PolarHBondContact OG-N 2.64Å; Q216-S237 PolarHBondContact NE2-OG 3.06Å; Q216-Y241 WeakPolarHBondContact CG-O 3.08Å; Q216-T271 HydrophobicContact CB-CG2 3.63Å; Q216-T271 WeakPolarHBondContact O-CB 3Å
217	A	97.9	Very high	98	Very high	15 Å²	15	43.9 Å²	43.9	12%	0.124	23%	0.225	C	C	.	.	S	Bend	trans	-63.6	155.9	179.7	0	0	0	0	0	110.6	Y213 S214 V221	Y213-A217 HydrophobicContact CD2-CB 3.78Å; S214-A217 VanDerWaalsContact O-CB 3.23Å; S214-A217 WeakPolarHBondContact O-CB 3.3Å; S214-A217 PolarHBondContact O-N 2.9Å; A217-V221 HydrophobicContact CB-CB 4.48Å; A217-V221 HydrophobicContact CB-CG2 3.99Å
218	H	98.2	Very high	98	Very high	65 Å²	65	40.1 Å²	40.1	30%	0.301	20%	0.2	S	C	.	.			trans	-66.2	146	174.8	-177.9	-103.7	0	0	0	110.7	S220 V221 T272	H218-S220 VanDerWaalsContact ND1-CB 3.3Å; H218-S220 WeakPolarHBondContact ND1-CB 3.32Å; H218-S220 PolarHBondContact ND1-N 2.9Å; H218-S220 VanDerWaalsContact ND1-N 3.18Å; H218-S220 PolarHBondContact ND1-OG 3.35Å; H218-S220 PolarHBondContact O-N 3.5Å; H218-V221 PolarHBondContact O-N 3.47Å; H218-T272 PolarHBondContact CD2-OG1 3.03Å
219	S	97.6	Very high	97.9	Very high	71 Å²	71	44.3 Å²	44.3	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.3	179.6	60	0	0	0	0	114.5	V221 E222 R223	S219-V221 PolarHBondContact O-N 3.19Å; S219-E222 PolarHBondContact O-N 3.37Å; S219-R223 WeakPolarHBondContact O-CB 3.46Å; S219-R223 PolarHBondContact O-N 3.04Å
220	S	98.1	Very high	97.8	Very high	5 Å²	5	45 Å²	45	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-26.3	172.4	55.2	0	0	0	0	114.1	S175 H218 A224	S175-S220 VanDerWaalsContact OG-CB 3.22Å; S175-S220 WeakPolarHBondContact OG-CB 3.46Å; H218-S220 VanDerWaalsContact ND1-CB 3.3Å; H218-S220 WeakPolarHBondContact ND1-CB 3.32Å; H218-S220 PolarHBondContact ND1-N 2.9Å; H218-S220 VanDerWaalsContact ND1-N 3.18Å; H218-S220 PolarHBondContact ND1-OG 3.35Å; H218-S220 PolarHBondContact O-N 3.5Å; S220-A224 VanDerWaalsContact O-CB 3.27Å; S220-A224 WeakPolarHBondContact O-CB 3.36Å; S220-A224 PolarHBondContact O-N 3Å
221	V	98.6	Very high	97.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-47.5	175.5	-175.4	0	0	0	0	110.2	T178 Y213 A217 H218 S219 R223 A224 G225 L232 C266	T178-V221 HydrophobicContact CG2-CG2 4.22Å; Y213-V221 HydrophobicContact CD1-CG1 4.02Å; Y213-V221 HydrophobicContact CD2-CB 4.45Å; Y213-V221 HydrophobicContact CD2-CG1 4.23Å; Y213-V221 HydrophobicContact CG-CB 4.41Å; Y213-V221 HydrophobicContact CG-CG1 3.7Å; A217-V221 HydrophobicContact CB-CB 4.48Å; A217-V221 HydrophobicContact CB-CG2 3.99Å; H218-V221 PolarHBondContact O-N 3.47Å; S219-V221 PolarHBondContact O-N 3.19Å; V221-R223 PolarHBondContact O-N 3.37Å; V221-A224 WeakPolarHBondContact O-CB 3.31Å; V221-A224 PolarHBondContact O-N 2.88Å; V221-G225 PolarHBondContact O-N 3.38Å; V221-L232 HydrophobicContact CG1-CD1 4.22Å; V221-L232 WeakPolarHBondContact O-CD1 3.42Å; V221-C266 HydrophobicContact CG1-CB 4.14Å; V221-C266 HydrophobicContact CG2-CB 4.23Å
222	E	97.8	Very high	97.7	Very high	99 Å²	99	50.5 Å²	50.5	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-47.3	173.4	-69.3	179.9	85.8	0	0	111.2	Y213 S219 A224 G225 L226	Y213-E222 HydrophobicContact CE2-CG 3.9Å; Y213-E222 VanDerWaalsContact OH-CG 3.31Å; Y213-E222 WeakPolarHBondContact OH-CG 3.3Å; S219-E222 PolarHBondContact O-N 3.37Å; E222-A224 VanDerWaalsContact C-N 3.29Å; E222-A224 PolarHBondContact O-N 2.88Å; E222-G225 WeakPolarHBondContact O-CA 3.47Å; E222-G225 PolarHBondContact O-N 2.97Å; E222-G225 VanDerWaalsContact O-N 3.08Å; E222-L226 WeakPolarHBondContact O-CG 3.34Å; E222-L226 PolarHBondContact O-N 3.16Å
223	R	98.4	Very high	97.7	Very high	173 Å²	173	54.5 Å²	54.5	65%	0.653	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-37.6	177.1	-172.3	175.1	173.3	166.1	-1.5	112.4	S219 V221 L226 I227	S219-R223 WeakPolarHBondContact O-CB 3.46Å; S219-R223 PolarHBondContact O-N 3.04Å; V221-R223 PolarHBondContact O-N 3.37Å; R223-L226 PolarHBondContact O-N 3.08Å; R223-I227 HydrophobicContact CG-CD1 4.06Å; R223-I227 WeakPolarHBondContact O-CG1 3.24Å; R223-I227 PolarHBondContact O-N 3.28Å
224	A	98.6	Very high	97.6	Very high	3 Å²	3	56 Å²	56	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-40.7	174.5	0	0	0	0	0	111.5	T178 L179 L182 S220 V221 E222 G228	T178-A224 HydrophobicContact CG2-CB 4.35Å; L179-A224 HydrophobicContact CB-CB 4.13Å; L179-A224 HydrophobicContact CD1-CB 4.15Å; L182-A224 VanDerWaalsContact CD2-C 3.47Å; L182-A224 HydrophobicContact CD2-CB 3.69Å; L182-A224 WeakPolarHBondContact CD2-O 3.19Å; S220-A224 VanDerWaalsContact O-CB 3.27Å; S220-A224 WeakPolarHBondContact O-CB 3.36Å; S220-A224 PolarHBondContact O-N 3Å; V221-A224 WeakPolarHBondContact O-CB 3.31Å; V221-A224 PolarHBondContact O-N 2.88Å; E222-A224 VanDerWaalsContact C-N 3.29Å; E222-A224 PolarHBondContact O-N 2.88Å; A224-G228 PolarHBondContact O-N 3.15Å
225	G	98.2	Very high	97.7	Very high	4 Å²	4	56 Å²	56	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-46.6	171.9	0	0	0	0	0	112.8	V221 E222 G228 M229 L230 L232	V221-G225 PolarHBondContact O-N 3.38Å; E222-G225 WeakPolarHBondContact O-CA 3.47Å; E222-G225 PolarHBondContact O-N 2.97Å; E222-G225 VanDerWaalsContact O-N 3.08Å; G225-G228 CarbonylContact O-C 3.4Å; G225-G228 PolarHBondContact O-N 3.18Å; G225-M229 PolarHBondContact O-N 3.25Å; G225-L230 PolarHBondContact O-N 2.67Å; G225-L232 VanDerWaalsContact CA-CD1 3.47Å
226	L	97.9	Very high	97.7	Very high	142 Å²	142	58.4 Å²	58.4	74%	0.743	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-50.3	177.4	-68.7	174.4	0	0	0	112.1	E222 R223 G228 M229	E222-L226 WeakPolarHBondContact O-CG 3.34Å; E222-L226 PolarHBondContact O-N 3.16Å; R223-L226 PolarHBondContact O-N 3.08Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.18Å; L226-M229 PolarHBondContact O-N 3.22Å
227	I	98.2	Very high	97.6	Very high	98 Å²	98	58.2 Å²	58.2	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-39.2	178.7	-67.1	166.9	0	0	0	110.9	L179 R223 M229	L179-I227 HydrophobicContact CD1-CB 4.2Å; L179-I227 HydrophobicContact CD1-CG2 3.99Å; L179-I227 HydrophobicContact CD2-CD1 4.09Å; L179-I227 HydrophobicContact CD2-CG2 4.01Å; R223-I227 HydrophobicContact CG-CD1 4.06Å; R223-I227 WeakPolarHBondContact O-CG1 3.24Å; R223-I227 PolarHBondContact O-N 3.28Å; I227-M229 PolarHBondContact O-N 3.13Å
228	G	96.2	Very high	97.4	Very high	5 Å²	5	59.9 Å²	59.9	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-74.1	-10.6	179.1	0	0	0	0	0	114.6	A224 G225 L226 L230	A224-G228 PolarHBondContact O-N 3.15Å; G225-G228 CarbonylContact O-C 3.4Å; G225-G228 PolarHBondContact O-N 3.18Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.18Å; G228-L230 VanDerWaalsContact C-N 3.29Å
229	M	96.3	Very high	97.1	Very high	159 Å²	159	65.9 Å²	65.9	78%	0.783	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	45.9	-167.3	-59	-179.4	65.7	0	0	112.2	G225 L226 I227	G225-M229 PolarHBondContact O-N 3.25Å; L226-M229 PolarHBondContact O-N 3.22Å; I227-M229 PolarHBondContact O-N 3.13Å
230	L	97.4	Very high	96.8	Very high	18 Å²	18	70.3 Å²	70.3	9%	0.094	33%	0.333	C	S	.	.			trans	-111.4	142.2	-173.6	-68.8	161.6	0	0	0	111.4	L182 R186 L206 L209 G225 G228 L232 F263	L182-L230 HydrophobicContact CD1-CD1 3.94Å; L182-L230 HydrophobicContact CD2-CD1 3.67Å; L182-L230 HydrophobicContact CG-CD1 3.57Å; R186-L230 HydrophobicContact CB-CD1 4.31Å; R186-L230 HydrophobicContact CB-CD2 4.4Å; R186-L230 HydrophobicContact CG-CD1 4.48Å; R186-L230 HydrophobicContact CG-CD2 3.88Å; L206-L230 HydrophobicContact CD1-CD2 3.54Å; L209-L230 HydrophobicContact CB-CD2 4.47Å; L209-L230 HydrophobicContact CD1-CD2 4.41Å; G225-L230 PolarHBondContact O-N 2.67Å; G228-L230 VanDerWaalsContact C-N 3.29Å; L230-L232 HydrophobicContact CB-CD2 4.46Å; L230-L232 PolarHBondContact O-N 3.13Å; L230-F263 HydrophobicContact CD1-CE2 4.43Å; L230-F263 HydrophobicContact CD1-CZ 3.97Å; L230-F263 HydrophobicContact CD2-CE1 4.31Å; L230-F263 HydrophobicContact CD2-CZ 3.83Å; L230-F263 HydrophobicContact CG-CZ 4.31Å
231	H	97	Very high	96.6	Very high	89 Å²	89	71.3 Å²	71.3	41%	0.412	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.7	171.4	-173.9	52.1	0	0	0	109.8	V210 G211 R233	V210-H231 WeakPolarHBondContact CA-O 3.48Å; G211-H231 PolarHBondContact N-O 3.26Å; H231-R233 VanDerWaalsContact NE2-CZ 3.27Å; H231-R233 PolarHBondContact NE2-NH1 3.18Å
232	L	98.3	Very high	96.5	Very high	25 Å²	25	72 Å²	72	13%	0.131	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.5	176.5	-58.7	-174.6	0	0	0	110.2	L182 G211 Y213 V221 G225 L230	L182-L232 HydrophobicContact CD1-CD2 4.24Å; L182-L232 HydrophobicContact CD2-CD1 4.34Å; G211-L232 CarbonylContact O-C 3.55Å; G211-L232 WeakPolarHBondContact O-CA 3.44Å; Y213-L232 HydrophobicContact CD1-CB 3.95Å; Y213-L232 HydrophobicContact CE1-CB 3.7Å; V221-L232 HydrophobicContact CG1-CD1 4.22Å; V221-L232 WeakPolarHBondContact O-CD1 3.42Å; G225-L232 VanDerWaalsContact CA-CD1 3.47Å; L230-L232 HydrophobicContact CB-CD2 4.46Å; L230-L232 PolarHBondContact O-N 3.13Å
233	R	98.1	Very high	96.5	Very high	85 Å²	85	67.4 Å²	67.4	32%	0.321	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.7	177.7	-61.9	-172.4	-174.5	-81.6	9.3	111.1	V210 G211 Y212 Y213 H231 D255	V210-R233 HydrophobicContact CG2-CG 3.99Å; G211-R233 PolarHBondContact O-N 3.05Å; Y212-R233 WeakPolarHBondContact CA-O 3.44Å; Y212-R233 HydrophobicContact CD1-CB 4.16Å; Y213-R233 WeakPolarHBondContact CD1-O 3.14Å; Y213-R233 PolarHBondContact N-O 3.12Å; Y213-R233 VanDerWaalsContact N-O 3.11Å; H231-R233 VanDerWaalsContact NE2-CZ 3.27Å; H231-R233 PolarHBondContact NE2-NH1 3.18Å; R233-D255 VanDerWaalsContact CD-OD2 3.25Å; R233-D255 WeakPolarHBondContact CD-OD2 3.34Å; R233-D255 IonicContact CZ-OD1 2.83Å; R233-D255 VanDerWaalsContact CZ-OD1 3.24Å; R233-D255 IonicContact CZ-OD2 3.9Å; R233-D255 VanDerWaalsContact NE-CG 3.32Å; R233-D255 IonicContact NE-OD1 3.85Å; R233-D255 PolarHBondContact NE-OD1 3.44Å; R233-D255 IonicContact NE-OD2 2.97Å; R233-D255 PolarHBondContact NE-OD2 2.99Å; R233-D255 IonicContact NH2-OD1 3.81Å; R233-D255 PolarHBondContact NH2-OD1 2.86Å; R233-D255 IonicContact NH2-OD2 2.73Å
234	A	97.8	Very high	96.4	Very high	53 Å²	53	61 Å²	61	44%	0.438	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.8	165.8	0	0	0	0	0	109.6	Y213 D215	Y213-A234 HydrophobicContact CE1-CB 4.34Å; Y213-A234 HydrophobicContact CE2-CB 3.87Å; Y213-A234 CarbonylContact O-C 3.59Å; Y213-A234 WeakPolarHBondContact O-CA 3.36Å; D215-A234 HydrophobicContact CB-CB 4.25Å
235	I	98.2	Very high	96.4	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.5	173.3	-58.4	-56.8	0	0	0	107.7	Y212 Y213 D215 S237 M243 I247 L248 T251	Y212-I235 HydrophobicContact CD1-CD1 4Å; Y213-I235 PolarHBondContact O-N 2.76Å; D215-I235 PolarHBondContact N-O 3.02Å; I235-S237 PolarHBondContact O-N 2.87Å; I235-M243 HydrophobicContact CB-CG 4.02Å; I235-M243 HydrophobicContact CG2-CG 3.71Å; I235-I247 HydrophobicContact CG2-CB 4.26Å; I235-I247 HydrophobicContact CG2-CG2 4.09Å; I235-L248 HydrophobicContact CD1-CD1 4.27Å; I235-L248 HydrophobicContact CG1-CD1 3.95Å; I235-L248 HydrophobicContact CG2-CB 4.16Å; I235-T251 HydrophobicContact CD1-CG2 4.01Å
236	K	96.2	Very high	96.4	Very high	99 Å²	99	66.4 Å²	66.4	43%	0.43	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-57.8	134.9	179.9	-178.8	169.9	176	175.3	0	111.1	D215 N244 I247 L466	D215-K236 WeakPolarHBondContact OD2-CA 3.46Å; K236-N244 WeakPolarHBondContact O-CB 3.36Å; K236-N244 PolarHBondContact O-N 2.98Å; K236-N244 VanDerWaalsContact O-N 3.17Å; K236-I247 HydrophobicContact CB-CD1 4Å; K236-I247 HydrophobicContact CG-CD1 4.47Å; K236-L466 HydrophobicContact CD-CD1 3.97Å; K236-L466 HydrophobicContact CG-CD1 3.97Å
237	S	95.3	Very high	96.4	Very high	12 Å²	12	62.4 Å²	62.4	8%	0.084	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-78.8	159.7	174.3	50	0	0	0	0	113.1	D215 Q216 I235 E242	D215-S237 WeakPolarHBondContact OD1-CB 3.11Å; D215-S237 PolarHBondContact OD1-N 3.37Å; D215-S237 PolarHBondContact OD1-OG 3Å; D215-S237 PolarHBondContact OD2-N 3.12Å; D215-S237 VanDerWaalsContact OD2-N 3.12Å; D215-S237 PolarHBondContact OD2-OG 2.86Å; Q216-S237 PolarHBondContact NE2-OG 3.06Å; I235-S237 PolarHBondContact O-N 2.87Å; S237-E242 CarbonylContact C-O 3.53Å; S237-E242 WeakPolarHBondContact CA-O 3.48Å; S237-E242 VanDerWaalsContact CB-O 3.31Å; S237-E242 WeakPolarHBondContact CB-O 3.46Å
238	N	93.8	Very high	96.4	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	29%	0.287	S	S	.	.			trans	-80.8	-175.8	172.9	69.7	14.9	0	0	0	111.3	R240 Y241 E242	N238-R240 PolarHBondContact O-N 2.86Å; N238-R240 VanDerWaalsContact O-N 3.12Å; N238-R240 WeakPolarHBondContact OD1-CA 3.15Å; N238-R240 WeakPolarHBondContact OD1-CB 3.4Å; N238-R240 PolarHBondContact OD1-N 3.22Å; N238-Y241 PolarHBondContact O-N 2.83Å; N238-Y241 PolarHBondContact OD1-N 2.91Å; N238-E242 PolarHBondContact N-O 3.43Å; N238-E242 PolarHBondContact ND2-OE2 2.87Å; N238-E242 PolarHBondContact OD1-N 3.4Å; N238-E242 PolarHBondContact OD1-O 2.88Å
239	E	90.8	Very high	96.6	Very high	190 Å²	190	62.1 Å²	62.1	89%	0.888	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.7	179.5	-61.7	178.5	178.2	0	0	114.1
240	R	91.9	Very high	96.7	Very high	164 Å²	164	59.1 Å²	59.1	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	8.4	174	-61.7	-175.7	178.1	-162.4	-3.3	112.8	N238 E242	N238-R240 PolarHBondContact O-N 2.86Å; N238-R240 VanDerWaalsContact O-N 3.12Å; N238-R240 WeakPolarHBondContact OD1-CA 3.15Å; N238-R240 WeakPolarHBondContact OD1-CB 3.4Å; N238-R240 PolarHBondContact OD1-N 3.22Å; R240-E242 HydrophobicContact CB-CG 3.92Å; R240-E242 PolarHBondContact O-N 3.08Å
241	Y	94.3	Very high	96.7	Very high	26 Å²	26	59.8 Å²	59.8	10%	0.102	29%	0.294	C	S	.	.	S	Bend	trans	62	28.3	-177.6	-47.3	-64.8	0	0	0	113.6	Q216 N238 T274 V425 A426 L464 L470	Q216-Y241 WeakPolarHBondContact CG-O 3.08Å; N238-Y241 PolarHBondContact O-N 2.83Å; N238-Y241 PolarHBondContact OD1-N 2.91Å; Y241-T274 HydrophobicContact CD2-CG2 3.91Å; Y241-T274 HydrophobicContact CE2-CG2 4.19Å; Y241-T274 HydrophobicContact CG-CG2 4.38Å; Y241-V425 HydrophobicContact CE2-CG1 4.43Å; Y241-A426 HydrophobicContact CD2-CB 4.18Å; Y241-A426 HydrophobicContact CE2-CB 4.18Å; Y241-L464 HydrophobicContact CD1-CD1 3.62Å; Y241-L464 HydrophobicContact CE1-CD1 3.31Å; Y241-L464 HydrophobicContact CE2-CD1 4.25Å; Y241-L464 HydrophobicContact CG-CD1 4.21Å; Y241-L470 VanDerWaalsContact OH-CD2 3.22Å; Y241-L470 WeakPolarHBondContact OH-CD2 3.43Å
242	E	95.8	Very high	96.8	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.075	27%	0.274	C	S	.	.	S	Bend	trans	-100.4	147	173.9	-47.6	165.4	158.1	0	0	108.8	S237 N238 R240 N244 F277 K279	S237-E242 CarbonylContact C-O 3.53Å; S237-E242 WeakPolarHBondContact CA-O 3.48Å; S237-E242 VanDerWaalsContact CB-O 3.31Å; S237-E242 WeakPolarHBondContact CB-O 3.46Å; N238-E242 PolarHBondContact N-O 3.43Å; N238-E242 PolarHBondContact ND2-OE2 2.87Å; N238-E242 PolarHBondContact OD1-N 3.4Å; N238-E242 PolarHBondContact OD1-O 2.88Å; R240-E242 HydrophobicContact CB-CG 3.92Å; R240-E242 PolarHBondContact O-N 3.08Å; E242-N244 PolarHBondContact O-N 3.25Å; E242-F277 WeakPolarHBondContact CG-O 3.47Å; E242-K279 VanDerWaalsContact CD-CE 3.45Å; E242-K279 WeakPolarHBondContact OE1-CE 3.49Å; E242-K279 IonicContact OE1-NZ 2.69Å; E242-K279 PolarHBondContact OE1-NZ 3.01Å; E242-K279 WeakPolarHBondContact OE2-CE 3.2Å; E242-K279 IonicContact OE2-NZ 3.31Å
243	M	97.7	Very high	96.8	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-51.7	123.4	175.5	-176.8	-172.1	-66.2	0	0	110.9	S214 I235 T245 L248 C266 D278 I283	S214-M243 VanDerWaalsContact N-CE 3.34Å; I235-M243 HydrophobicContact CB-CG 4.02Å; I235-M243 HydrophobicContact CG2-CG 3.71Å; M243-T245 PolarHBondContact O-N 3.17Å; M243-T245 VanDerWaalsContact O-N 3.12Å; M243-L248 HydrophobicContact SD-CB 4.42Å; M243-L248 HydrophobicContact SD-CD1 4.26Å; M243-L248 HydrophobicContact SD-CD2 3.84Å; M243-L248 HydrophobicContact SD-CG 4.4Å; M243-C266 WeakPolarHBondContact CE-O 3.32Å; M243-D278 HydrophobicContact CB-CB 4.37Å; M243-D278 WeakPolarHBondContact CB-OD1 3.4Å; M243-D278 PolarHBondContact N-OD1 2.72Å; M243-I283 HydrophobicContact CB-CD1 4.24Å; M243-I283 HydrophobicContact SD-CD1 3.78Å; M243-I283 HydrophobicContact SD-CG1 4.21Å
244	N	97.5	Very high	96.8	Very high	37 Å²	37	56 Å²	56	20%	0.198	28%	0.281	C	S	.	.			trans	-74.9	108.6	179	-172.6	-37.7	0	0	0	110.5	K236 E242 S246 I247 L248	K236-N244 WeakPolarHBondContact O-CB 3.36Å; K236-N244 PolarHBondContact O-N 2.98Å; K236-N244 VanDerWaalsContact O-N 3.17Å; E242-N244 PolarHBondContact O-N 3.25Å; N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 2.68Å; N244-S246 PolarHBondContact OD1-N 3.31Å; N244-S246 PolarHBondContact OD1-OG 3.4Å; N244-I247 HydrophobicContact CB-CB 4.11Å; N244-I247 HydrophobicContact CB-CD1 3.9Å; N244-I247 HydrophobicContact CB-CG1 4.03Å; N244-I247 PolarHBondContact O-N 2.86Å; N244-I247 PolarHBondContact OD1-N 3.46Å; N244-L248 PolarHBondContact O-N 3.46Å
245	T	97.9	Very high	96.9	Very high	44 Å²	44	53.7 Å²	53.7	27%	0.27	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-32.5	-176	54.5	0	0	0	0	113.3	M243 K249 D282 I283	M243-T245 PolarHBondContact O-N 3.17Å; M243-T245 VanDerWaalsContact O-N 3.12Å; T245-K249 WeakPolarHBondContact O-CB 3.44Å; T245-K249 PolarHBondContact O-N 3.44Å; T245-D282 HydrophobicContact CG2-CB 3.56Å; T245-I283 HydrophobicContact CG2-CG1 3.96Å
246	S	97.9	Very high	96.9	Very high	78 Å²	78	56.5 Å²	56.5	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-40.4	175.3	70.1	0	0	0	0	111.8	N244 K249 Q250	N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 2.68Å; N244-S246 PolarHBondContact OD1-N 3.31Å; N244-S246 PolarHBondContact OD1-OG 3.4Å; S246-K249 PolarHBondContact O-N 3.29Å; S246-Q250 WeakPolarHBondContact O-CB 3.47Å; S246-Q250 PolarHBondContact O-N 2.86Å
247	I	98.1	Very high	97	Very high	58 Å²	58	57.9 Å²	57.9	30%	0.297	29%	0.291	S	S	.	.	H	α-helix	trans	-69	-42.2	175.4	-62	178.6	0	0	0	110.3	I235 K236 N244 K249 Q250 T251	I235-I247 HydrophobicContact CG2-CB 4.26Å; I235-I247 HydrophobicContact CG2-CG2 4.09Å; K236-I247 HydrophobicContact CB-CD1 4Å; K236-I247 HydrophobicContact CG-CD1 4.47Å; N244-I247 HydrophobicContact CB-CB 4.11Å; N244-I247 HydrophobicContact CB-CD1 3.9Å; N244-I247 HydrophobicContact CB-CG1 4.03Å; N244-I247 PolarHBondContact O-N 2.86Å; N244-I247 PolarHBondContact OD1-N 3.46Å; I247-K249 PolarHBondContact O-N 2.88Å; I247-Q250 PolarHBondContact O-N 3.21Å; I247-T251 VanDerWaalsContact O-CB 3.31Å; I247-T251 WeakPolarHBondContact O-CB 3.43Å; I247-T251 PolarHBondContact O-N 2.64Å; I247-T251 PolarHBondContact O-OG1 3.49Å
248	L	98.7	Very high	97.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-54.1	-52.9	174.1	174.4	67	0	0	0	110.8	Y212 I235 M243 N244 Q250 T251 I252 I283 I286	Y212-L248 HydrophobicContact CD2-CD1 4.42Å; Y212-L248 HydrophobicContact CG-CD1 4.04Å; I235-L248 HydrophobicContact CD1-CD1 4.27Å; I235-L248 HydrophobicContact CG1-CD1 3.95Å; I235-L248 HydrophobicContact CG2-CB 4.16Å; M243-L248 HydrophobicContact SD-CB 4.42Å; M243-L248 HydrophobicContact SD-CD1 4.26Å; M243-L248 HydrophobicContact SD-CD2 3.84Å; M243-L248 HydrophobicContact SD-CG 4.4Å; N244-L248 PolarHBondContact O-N 3.46Å; L248-Q250 PolarHBondContact O-N 3.12Å; L248-T251 PolarHBondContact O-N 2.86Å; L248-I252 HydrophobicContact CD1-CD1 3.77Å; L248-I252 HydrophobicContact CD1-CG1 4.31Å; L248-I252 HydrophobicContact CG-CD1 3.84Å; L248-I252 WeakPolarHBondContact O-CG1 3.19Å; L248-I252 PolarHBondContact O-N 2.98Å; L248-I283 HydrophobicContact CD2-CB 4.49Å; L248-I283 HydrophobicContact CD2-CG1 4.25Å; L248-I283 HydrophobicContact CD2-CG2 3.98Å; L248-I286 HydrophobicContact CD2-CD1 4.2Å; L248-I286 HydrophobicContact CD2-CG2 4.43Å
249	K	98.6	Very high	97.2	Very high	96 Å²	96	62.8 Å²	62.8	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-49.2	-179.1	-176.4	-177	171.6	-171.2	0	111.7	T245 S246 I247 T251 I252 E253 I286	T245-K249 WeakPolarHBondContact O-CB 3.44Å; T245-K249 PolarHBondContact O-N 3.44Å; S246-K249 PolarHBondContact O-N 3.29Å; I247-K249 PolarHBondContact O-N 2.88Å; K249-T251 VanDerWaalsContact C-N 3.33Å; K249-T251 PolarHBondContact O-N 3.44Å; K249-I252 PolarHBondContact O-N 2.99Å; K249-E253 WeakPolarHBondContact CE-OE1 3.36Å; K249-E253 WeakPolarHBondContact O-CG 3.23Å; K249-E253 PolarHBondContact O-N 3.05Å; K249-I286 HydrophobicContact CB-CD1 4.17Å
250	Q	98.5	Very high	97.6	Very high	97 Å²	97	55.7 Å²	55.7	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-44.1	179	-175.5	61.8	53.3	0	0	111.4	S246 I247 L248 I252 E253 D254	S246-Q250 WeakPolarHBondContact O-CB 3.47Å; S246-Q250 PolarHBondContact O-N 2.86Å; I247-Q250 PolarHBondContact O-N 3.21Å; L248-Q250 PolarHBondContact O-N 3.12Å; Q250-I252 VanDerWaalsContact C-N 3.35Å; Q250-I252 PolarHBondContact O-N 3.35Å; Q250-E253 PolarHBondContact O-N 3.17Å; Q250-D254 PolarHBondContact NE2-OD1 2.88Å; Q250-D254 PolarHBondContact NE2-OD2 3.31Å; Q250-D254 WeakPolarHBondContact O-CB 3.5Å; Q250-D254 VanDerWaalsContact O-CG 3.24Å; Q250-D254 PolarHBondContact O-N 2.81Å
251	T	98.7	Very high	97.9	Very high	31 Å²	31	50 Å²	50	19%	0.19	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-43.4	179.3	-53.7	0	0	0	0	111.3	Y212 I235 I247 L248 K249 D254 D255	Y212-T251 HydrophobicContact CD1-CG2 4.26Å; Y212-T251 HydrophobicContact CE1-CG2 3.9Å; I235-T251 HydrophobicContact CD1-CG2 4.01Å; I247-T251 VanDerWaalsContact O-CB 3.31Å; I247-T251 WeakPolarHBondContact O-CB 3.43Å; I247-T251 PolarHBondContact O-N 2.64Å; I247-T251 PolarHBondContact O-OG1 3.49Å; L248-T251 PolarHBondContact O-N 2.86Å; K249-T251 VanDerWaalsContact C-N 3.33Å; K249-T251 PolarHBondContact O-N 3.44Å; T251-D254 PolarHBondContact O-N 2.82Å; T251-D255 WeakPolarHBondContact O-CB 3.32Å; T251-D255 PolarHBondContact O-N 2.79Å
252	I	98.8	Very high	98.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-46.3	175.5	-71	164.3	0	0	0	110.8	Y212 L248 K249 Q250 D254 D255 V256 P262 I286 Y290 I292	Y212-I252 HydrophobicContact CD2-CD1 4.47Å; Y212-I252 HydrophobicContact CD2-CG1 4.12Å; Y212-I252 HydrophobicContact CE1-CG1 4.13Å; Y212-I252 HydrophobicContact CE2-CD1 4.27Å; Y212-I252 HydrophobicContact CE2-CG1 3.57Å; L248-I252 HydrophobicContact CD1-CD1 3.77Å; L248-I252 HydrophobicContact CD1-CG1 4.31Å; L248-I252 HydrophobicContact CG-CD1 3.84Å; L248-I252 WeakPolarHBondContact O-CG1 3.19Å; L248-I252 PolarHBondContact O-N 2.98Å; K249-I252 PolarHBondContact O-N 2.99Å; Q250-I252 VanDerWaalsContact C-N 3.35Å; Q250-I252 PolarHBondContact O-N 3.35Å; I252-D254 PolarHBondContact O-N 2.86Å; I252-D255 PolarHBondContact O-N 3.44Å; I252-V256 HydrophobicContact CG2-CG2 4.43Å; I252-V256 WeakPolarHBondContact O-CB 3.35Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.31Å; I252-V256 PolarHBondContact O-N 3.1Å; I252-P262 HydrophobicContact CG2-CB 4.41Å; I252-P262 HydrophobicContact CG2-CG 4.02Å; I252-I286 HydrophobicContact CD1-CG2 3.6Å; I252-Y290 HydrophobicContact CG2-CD1 3.71Å; I252-Y290 HydrophobicContact CG2-CD2 3.67Å; I252-Y290 HydrophobicContact CG2-CE1 3.82Å; I252-Y290 HydrophobicContact CG2-CE2 3.81Å; I252-Y290 HydrophobicContact CG2-CG 3.65Å; I252-I292 HydrophobicContact CD1-CD1 3.64Å; I252-I292 HydrophobicContact CG1-CD1 4.13Å; I252-I292 HydrophobicContact CG2-CD1 4.41Å
253	E	98.6	Very high	98.2	Very high	51 Å²	51	48.8 Å²	48.8	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-43.7	179.3	-74	172.8	172.1	0	0	111.4	K249 Q250 V256 N257 K289 Y290	K249-E253 WeakPolarHBondContact CE-OE1 3.36Å; K249-E253 WeakPolarHBondContact O-CG 3.23Å; K249-E253 PolarHBondContact O-N 3.05Å; Q250-E253 PolarHBondContact O-N 3.17Å; E253-V256 PolarHBondContact O-N 3.25Å; E253-N257 WeakPolarHBondContact O-CB 3.29Å; E253-N257 PolarHBondContact O-N 3.01Å; E253-N257 PolarHBondContact O-ND2 3.25Å; E253-N257 VanDerWaalsContact O-ND2 3.09Å; E253-K289 IonicContact OE1-NZ 2.62Å; E253-Y290 WeakPolarHBondContact CG-OH 3.49Å; E253-Y290 PolarHBondContact OE1-OH 3.32Å
254	D	98.6	Very high	98.3	Very high	69 Å²	69	48.6 Å²	48.6	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-65.2	-43.6	177	-67.3	-22.7	0	0	0	112.2	Q250 T251 I252 N257 N258	Q250-D254 PolarHBondContact NE2-OD1 2.88Å; Q250-D254 PolarHBondContact NE2-OD2 3.31Å; Q250-D254 WeakPolarHBondContact O-CB 3.5Å; Q250-D254 VanDerWaalsContact O-CG 3.24Å; Q250-D254 PolarHBondContact O-N 2.81Å; T251-D254 PolarHBondContact O-N 2.82Å; I252-D254 PolarHBondContact O-N 2.86Å; D254-N257 PolarHBondContact O-N 3.45Å; D254-N258 WeakPolarHBondContact O-CB 3.42Å; D254-N258 VanDerWaalsContact O-CG 3.31Å; D254-N258 PolarHBondContact O-N 3.11Å; D254-N258 PolarHBondContact O-ND2 3Å
255	D	98.6	Very high	98.3	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-40.7	178.4	-82.8	-25.6	0	0	0	111.8	V210 Y212 R233 T251 I252 N258 G259 L260	V210-D255 HydrophobicContact CG1-CB 4.1Å; Y212-D255 WeakPolarHBondContact CE1-OD2 3.37Å; Y212-D255 PolarHBondContact OH-OD2 3.3Å; R233-D255 VanDerWaalsContact CD-OD2 3.25Å; R233-D255 WeakPolarHBondContact CD-OD2 3.34Å; R233-D255 IonicContact CZ-OD1 2.83Å; R233-D255 VanDerWaalsContact CZ-OD1 3.24Å; R233-D255 IonicContact CZ-OD2 3.9Å; R233-D255 VanDerWaalsContact NE-CG 3.32Å; R233-D255 IonicContact NE-OD1 3.85Å; R233-D255 PolarHBondContact NE-OD1 3.44Å; R233-D255 IonicContact NE-OD2 2.97Å; R233-D255 PolarHBondContact NE-OD2 2.99Å; R233-D255 IonicContact NH2-OD1 3.81Å; R233-D255 PolarHBondContact NH2-OD1 2.86Å; R233-D255 IonicContact NH2-OD2 2.73Å; T251-D255 WeakPolarHBondContact O-CB 3.32Å; T251-D255 PolarHBondContact O-N 2.79Å; I252-D255 PolarHBondContact O-N 3.44Å; D255-N258 CarbonylContact O-C 3.48Å; D255-N258 PolarHBondContact O-N 3.32Å; D255-G259 PolarHBondContact O-N 2.9Å; D255-L260 HydrophobicContact CB-CB 4.18Å; D255-L260 HydrophobicContact CB-CD1 4.18Å; D255-L260 WeakPolarHBondContact O-CB 3.43Å; D255-L260 PolarHBondContact O-N 3.3Å; D255-L260 WeakPolarHBondContact OD1-CD1 3.21Å
256	V	98.1	Very high	98.4	Very high	60 Å²	60	44.8 Å²	44.8	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-45.6	172.9	170.8	0	0	0	0	110.9	I252 E253 N258 G259 P262 Y290	I252-V256 HydrophobicContact CG2-CG2 4.43Å; I252-V256 WeakPolarHBondContact O-CB 3.35Å; I252-V256 VanDerWaalsContact O-CG2 3.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.31Å; I252-V256 PolarHBondContact O-N 3.1Å; E253-V256 PolarHBondContact O-N 3.25Å; V256-N258 PolarHBondContact O-N 3.12Å; V256-G259 PolarHBondContact O-N 2.74Å; V256-P262 HydrophobicContact CG2-CG 3.51Å; V256-Y290 HydrophobicContact CG2-CD1 4.29Å; V256-Y290 HydrophobicContact CG2-CE1 4.34Å
257	N	98	Very high	98.4	Very high	128 Å²	128	41 Å²	41	68%	0.684	22%	0.221	S	C	*	.	H	α-helix	trans	-62.8	-29.4	177.9	-71.2	-27.8	0	0	0	112.5	E253 D254 G259	E253-N257 WeakPolarHBondContact O-CB 3.29Å; E253-N257 PolarHBondContact O-N 3.01Å; E253-N257 PolarHBondContact O-ND2 3.25Å; E253-N257 VanDerWaalsContact O-ND2 3.09Å; D254-N257 PolarHBondContact O-N 3.45Å; N257-G259 VanDerWaalsContact C-N 3.26Å; N257-G259 PolarHBondContact O-N 3.29Å
258	N	97.8	Very high	98.5	Very high	123 Å²	123	38.5 Å²	38.5	66%	0.658	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	8	174.9	-70.2	-47.7	0	0	0	113.7	D254 D255 V256	D254-N258 WeakPolarHBondContact O-CB 3.42Å; D254-N258 VanDerWaalsContact O-CG 3.31Å; D254-N258 PolarHBondContact O-N 3.11Å; D254-N258 PolarHBondContact O-ND2 3Å; D255-N258 CarbonylContact O-C 3.48Å; D255-N258 PolarHBondContact O-N 3.32Å; V256-N258 PolarHBondContact O-N 3.12Å
259	G	96.6	Very high	98.5	Very high	42 Å²	42	38.5 Å²	38.5	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	20.7	176.2	0	0	0	0	0	114.4	D255 V256 N257	D255-G259 PolarHBondContact O-N 2.9Å; V256-G259 PolarHBondContact O-N 2.74Å; N257-G259 VanDerWaalsContact C-N 3.26Å; N257-G259 PolarHBondContact O-N 3.29Å
260	L	98.3	Very high	98.5	Very high	42 Å²	42	34.2 Å²	34.2	22%	0.22	19%	0.191	C	C	.	.			trans	-86.7	163.1	167.5	-58	-179.2	0	0	0	110.6	K208 V210 D255 P262	K208-L260 CarbonylContact O-C 3.55Å; K208-L260 WeakPolarHBondContact O-CA 3.46Å; V210-L260 HydrophobicContact CB-CB 4.46Å; V210-L260 HydrophobicContact CB-CD1 4.26Å; V210-L260 HydrophobicContact CG1-CB 3.79Å; V210-L260 HydrophobicContact CG1-CD1 4.23Å; D255-L260 HydrophobicContact CB-CB 4.18Å; D255-L260 HydrophobicContact CB-CD1 4.18Å; D255-L260 WeakPolarHBondContact O-CB 3.43Å; D255-L260 PolarHBondContact O-N 3.3Å; D255-L260 WeakPolarHBondContact OD1-CD1 3.21Å; L260-P262 WeakPolarHBondContact O-CD 3.43Å
261	F	98.3	Very high	98.5	Very high	45 Å²	45	29.6 Å²	29.6	20%	0.197	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	93.7	-176.1	-163.2	-86.1	0	0	0	109.6	A189 Q192 Y193 I196 K208 L209 V210 F263	A189-F261 HydrophobicContact CB-CD1 4.38Å; A189-F261 HydrophobicContact CB-CE1 4.24Å; Q192-F261 HydrophobicContact CB-CE1 4.42Å; Q192-F261 HydrophobicContact CB-CZ 4.06Å; Y193-F261 HydrophobicContact CD2-CB 4.24Å; Y193-F261 AromaticContact CD2-CD2 3.87Å; Y193-F261 HydrophobicContact CD2-CD2 3.87Å; Y193-F261 HydrophobicContact CD2-CG 4.14Å; I196-F261 HydrophobicContact CD1-CE2 4.17Å; K208-F261 HydrophobicContact CB-CB 4.39Å; K208-F261 PolarHBondContact O-N 2.81Å; L209-F261 WeakPolarHBondContact CA-O 3.5Å; L209-F261 HydrophobicContact CD2-CB 4.03Å; L209-F261 HydrophobicContact CD2-CD1 3.78Å; L209-F261 HydrophobicContact CD2-CG 4.25Å; V210-F261 PolarHBondContact N-O 3.39Å; V210-F261 VanDerWaalsContact N-O 3.08Å; F261-F263 PolarHBondContact O-N 3.43Å
262	P	98.7	Very high	98.4	Very high	10 Å²	10	30.5 Å²	30.5	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	128.5	171.9	-27.5	35.1	0	0	0	111.7	V210 Y212 I252 V256 L260 I292	V210-P262 HydrophobicContact CG1-CG 4.43Å; V210-P262 WeakPolarHBondContact O-CA 3.12Å; Y212-P262 HydrophobicContact CE2-CB 3.92Å; Y212-P262 WeakPolarHBondContact OH-CG 3.31Å; I252-P262 HydrophobicContact CG2-CB 4.41Å; I252-P262 HydrophobicContact CG2-CG 4.02Å; V256-P262 HydrophobicContact CG2-CG 3.51Å; L260-P262 WeakPolarHBondContact O-CD 3.43Å; P262-I292 HydrophobicContact CB-CD1 3.65Å; P262-I292 HydrophobicContact CB-CG1 3.78Å
263	F	98.8	Very high	98.3	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.022	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-22.7	-177.5	80.2	-77.1	0	0	0	116.6	L182 A185 R186 A189 L209 V210 L230 F261 W293	L182-F263 HydrophobicContact CD1-CE2 3.85Å; L182-F263 HydrophobicContact CD1-CZ 3.85Å; A185-F263 HydrophobicContact CB-CD2 4.01Å; A185-F263 HydrophobicContact CB-CE2 4.25Å; R186-F263 HydrophobicContact CB-CE2 4.05Å; A189-F263 HydrophobicContact CB-CB 3.46Å; A189-F263 VanDerWaalsContact CB-CB 3.46Å; A189-F263 HydrophobicContact CB-CD2 4.2Å; A189-F263 HydrophobicContact CB-CG 4.04Å; L209-F263 HydrophobicContact CB-CD1 3.61Å; L209-F263 HydrophobicContact CB-CE1 3.74Å; L209-F263 HydrophobicContact CB-CG 4.35Å; L209-F263 HydrophobicContact CD1-CD1 4.33Å; L209-F263 HydrophobicContact CD1-CD2 4.48Å; L209-F263 HydrophobicContact CD1-CG 4.32Å; L209-F263 HydrophobicContact CG-CD1 4.36Å; V210-F263 VanDerWaalsContact C-CD1 3.43Å; V210-F263 VanDerWaalsContact C-CE1 3.42Å; V210-F263 WeakPolarHBondContact O-CD1 3.45Å; V210-F263 PolarHBondContact O-N 3.27Å; L230-F263 HydrophobicContact CD1-CE2 4.43Å; L230-F263 HydrophobicContact CD1-CZ 3.97Å; L230-F263 HydrophobicContact CD2-CE1 4.31Å; L230-F263 HydrophobicContact CD2-CZ 3.83Å; L230-F263 HydrophobicContact CG-CZ 4.31Å; F261-F263 PolarHBondContact O-N 3.43Å; F263-W293 WeakPolarHBondContact O-CB 3.34Å; F263-W293 PolarHBondContact O-N 2.81Å
264	F	98.9	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.1	-176.2	-175.7	-95.1	0	0	0	111.5	A181 L182 A185 G211 Y212 C266 I292 W293 H295	A181-F264 HydrophobicContact CB-CE2 4.43Å; L182-F264 HydrophobicContact CB-CE2 4.17Å; L182-F264 HydrophobicContact CB-CZ 4.18Å; L182-F264 HydrophobicContact CD1-CB 3.92Å; L182-F264 HydrophobicContact CD1-CD1 3.47Å; L182-F264 VanDerWaalsContact CD1-CD1 3.47Å; L182-F264 HydrophobicContact CD1-CD2 3.83Å; L182-F264 HydrophobicContact CD1-CE1 3.78Å; L182-F264 HydrophobicContact CD1-CE2 4.13Å; L182-F264 HydrophobicContact CD1-CG 3.47Å; L182-F264 VanDerWaalsContact CD1-CG 3.47Å; L182-F264 HydrophobicContact CD1-CZ 4.1Å; A185-F264 HydrophobicContact CB-CB 4.45Å; A185-F264 HydrophobicContact CB-CD2 3.69Å; A185-F264 HydrophobicContact CB-CE2 4.48Å; G211-F264 CarbonylContact C-O 3.36Å; G211-F264 WeakPolarHBondContact CA-O 3.42Å; Y212-F264 WeakPolarHBondContact CD2-O 3.18Å; Y212-F264 PolarHBondContact N-O 2.85Å; F264-C266 HydrophobicContact CE1-CB 3.8Å; F264-C266 HydrophobicContact CZ-CB 4.36Å; F264-I292 VanDerWaalsContact C-CG2 3.42Å; F264-W293 WeakPolarHBondContact CA-O 3.35Å; F264-W293 HydrophobicContact CD2-CB 4.18Å; F264-W293 AromaticContact CD2-CD1 3.94Å; F264-W293 HydrophobicContact CD2-CG 4.23Å; F264-W293 AromaticContact CE2-CD1 3.95Å; F264-H295 HydrophobicContact CE1-CB 4.44Å; F264-H295 HydrophobicContact CE2-CB 3.56Å; F264-H295 HydrophobicContact CZ-CB 3.47Å; F264-H295 VanDerWaalsContact CZ-CB 3.47Å; F264-H295 AromaticContact CZ-CD2 3.99Å; F264-H295 AromaticContact CZ-CG 3.96Å
265	C	98.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.5	170.5	-175.5	0	0	0	0	108.9	Y212 I292 W293 L294 H295	Y212-C265 CarbonylContact O-C 3.57Å; Y212-C265 VanDerWaalsContact O-CA 3.28Å; Y212-C265 WeakPolarHBondContact O-CA 3.4Å; C265-I292 HydrophobicContact CB-CG2 3.69Å; C265-W293 PolarHBondContact N-O 2.73Å; C265-L294 HydrophobicContact CB-CD1 4.28Å; C265-L294 WeakPolarHBondContact O-CA 3.3Å; C265-H295 PolarHBondContact O-N 2.88Å
266	C	98.9	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.4	171.1	-175.3	0	0	0	0	110.1	Y212 V221 M243 F264 H295	Y212-C266 PolarHBondContact O-N 3.23Å; V221-C266 HydrophobicContact CG1-CB 4.14Å; V221-C266 HydrophobicContact CG2-CB 4.23Å; M243-C266 WeakPolarHBondContact CE-O 3.32Å; F264-C266 HydrophobicContact CE1-CB 3.8Å; F264-C266 HydrophobicContact CZ-CB 4.36Å; C266-H295 VanDerWaalsContact CA-O 3.32Å; C266-H295 WeakPolarHBondContact CA-O 3.4Å
267	A	98.8	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.1	169.9	0	0	0	0	0	109.4	D278 L280 I283 L294 H295 I296 D297	A267-D278 WeakPolarHBondContact CA-OD2 3.41Å; A267-D278 HydrophobicContact CB-CB 4.03Å; A267-L280 HydrophobicContact CB-CD2 3.52Å; A267-I283 HydrophobicContact CB-CD1 4.06Å; A267-L294 HydrophobicContact CB-CD1 4.01Å; A267-H295 PolarHBondContact N-O 2.92Å; A267-I296 HydrophobicContact CB-CD1 3.94Å; A267-I296 WeakPolarHBondContact O-CA 3.26Å; A267-D297 PolarHBondContact O-N 3.1Å
268	T	98.8	Very high	98.2	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.025	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.7	-175.5	-50.7	0	0	0	0	110.9	T271 D278 D297	T268-T271 HydrophobicContact CG2-CG2 3.94Å; T268-D278 PolarHBondContact N-OD2 2.82Å; T268-D278 WeakPolarHBondContact O-CB 3.18Å; T268-D278 PolarHBondContact O-N 2.97Å; T268-D297 CarbonylContact C-O 3.55Å; T268-D297 WeakPolarHBondContact CA-O 3.44Å
269	L	98.8	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-104.5	101.9	170.6	-57.5	-174.1	0	0	0	108.8	F277 D278 L280 I296 D297 A298 A301 F305 M314	L269-F277 HydrophobicContact CB-CD1 3.9Å; L269-F277 HydrophobicContact CB-CE1 4.22Å; L269-F277 HydrophobicContact CD2-CB 4.5Å; L269-F277 HydrophobicContact CD2-CD1 4.17Å; L269-D278 WeakPolarHBondContact CD2-O 3.35Å; L269-L280 HydrophobicContact CD1-CD1 4Å; L269-L280 HydrophobicContact CD2-CD1 4.32Å; L269-L280 HydrophobicContact CD2-CD2 4.09Å; L269-L280 HydrophobicContact CD2-CG 4.02Å; L269-L280 HydrophobicContact CG-CD1 4.47Å; L269-I296 HydrophobicContact CD1-CG2 3.75Å; L269-I296 HydrophobicContact CG-CG2 3.79Å; L269-D297 PolarHBondContact N-O 2.75Å; L269-A298 HydrophobicContact CB-CB 4.04Å; L269-A298 WeakPolarHBondContact O-CA 3.35Å; L269-A301 WeakPolarHBondContact O-CB 3.03Å; L269-F305 HydrophobicContact CB-CZ 4.31Å; L269-F305 HydrophobicContact CD1-CE2 4Å; L269-F305 HydrophobicContact CD1-CZ 3.96Å; L269-M314 HydrophobicContact CD1-CG 3.9Å
270	G	98.4	Very high	98.3	Very high	7 Å²	7	12.9 Å²	12.9	7%	0.072	7%	0.072	C	C	.	.	S	Bend	trans	88.4	70.5	-172.1	0	0	0	0	0	112.1	G276	G270-G276 CarbonylContact C-O 3.43Å; G270-G276 VanDerWaalsContact CA-O 3.23Å; G270-G276 WeakPolarHBondContact CA-O 3.45Å; G270-G276 PolarHBondContact N-O 3.09Å
271	T	98.3	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.			trans	-58.3	154.3	177	63.2	0	0	0	0	112.4	Q216 T268 T274 C275 G276	Q216-T271 HydrophobicContact CB-CG2 3.63Å; Q216-T271 WeakPolarHBondContact O-CB 3Å; T268-T271 HydrophobicContact CG2-CG2 3.94Å; T271-T274 PolarHBondContact OG1-OG1 2.88Å; T271-C275 WeakPolarHBondContact O-CA 3.31Å; T271-C275 PolarHBondContact O-N 2.88Å; T271-C275 PolarHBondContact OG1-N 3.26Å; T271-G276 PolarHBondContact N-O 3.36Å; T271-G276 PolarHBondContact OG1-N 3.45Å
272	T	98	Very high	98.3	Very high	49 Å²	49	17.7 Å²	17.7	30%	0.301	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-44.7	-174.9	-58.3	0	0	0	0	111.7	H218 R474	H218-T272 PolarHBondContact CD2-OG1 3.03Å; T272-R474 PolarHBondContact O-NE 3.41Å; T272-R474 PolarHBondContact O-NH2 3.43Å
273	S	96.9	Very high	98.3	Very high	22 Å²	22	17.2 Å²	17.2	15%	0.154	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-56.2	-174.8	-64.7	0	0	0	0	112.3	C434 S462 R474	S273-C434 PolarHBondContact O-SG 3.36Å; S273-C434 VanDerWaalsContact O-SG 3.33Å; S273-S462 PolarHBondContact OG-OG 2.88Å; S273-R474 WeakPolarHBondContact O-CD 3.38Å; S273-R474 PolarHBondContact O-NE 3.07Å; S273-R474 VanDerWaalsContact O-NE 3.11Å
274	T	96.8	Very high	98.3	Very high	5 Å²	5	17 Å²	17	3%	0.031	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	1.1	-166.9	51.4	0	0	0	0	114.4	Y241 T271 G276 A426 L464 F472	Y241-T274 HydrophobicContact CD2-CG2 3.91Å; Y241-T274 HydrophobicContact CE2-CG2 4.19Å; Y241-T274 HydrophobicContact CG-CG2 4.38Å; T271-T274 PolarHBondContact OG1-OG1 2.88Å; T274-G276 PolarHBondContact O-N 3.43Å; T274-A426 HydrophobicContact CG2-CB 3.91Å; T274-L464 HydrophobicContact CG2-CD1 4.03Å; T274-F472 HydrophobicContact CG2-CE1 4.47Å; T274-F472 HydrophobicContact CG2-CE2 4.31Å; T274-F472 HydrophobicContact CG2-CZ 3.75Å
275	C	98.2	Very high	98.3	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.02	11%	0.107	C	C	.	.			trans	55.7	37.4	-171.7	-163	0	0	0	0	113.1	F108 T271 F277 L432	F108-C275 HydrophobicContact CZ-CB 4.48Å; T271-C275 WeakPolarHBondContact O-CA 3.31Å; T271-C275 PolarHBondContact O-N 2.88Å; T271-C275 PolarHBondContact OG1-N 3.26Å; C275-F277 VanDerWaalsContact O-CD2 3.3Å; C275-F277 WeakPolarHBondContact O-CD2 3.12Å; C275-F277 WeakPolarHBondContact O-CE2 3.5Å; C275-L432 HydrophobicContact CB-CB 4.12Å; C275-L432 HydrophobicContact CB-CD2 3.69Å; C275-L432 HydrophobicContact CB-CG 4.45Å
276	G	96.9	Very high	98.3	Very high	10 Å²	10	20.6 Å²	20.6	10%	0.103	11%	0.112	C	C	.	.			trans	-72	162.6	173.5	0	0	0	0	0	113.1	G270 T271 T274	G270-G276 CarbonylContact C-O 3.43Å; G270-G276 VanDerWaalsContact CA-O 3.23Å; G270-G276 WeakPolarHBondContact CA-O 3.45Å; G270-G276 PolarHBondContact N-O 3.09Å; T271-G276 PolarHBondContact N-O 3.36Å; T271-G276 PolarHBondContact OG1-N 3.45Å; T274-G276 PolarHBondContact O-N 3.43Å
277	F	98.4	Very high	98.3	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.013	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-129.7	109.1	-175.3	-67.6	-97.8	0	0	0	111.5	E242 L269 C275 K279 A301 F305 L313 L429 M430	E242-F277 WeakPolarHBondContact CG-O 3.47Å; L269-F277 HydrophobicContact CB-CD1 3.9Å; L269-F277 HydrophobicContact CB-CE1 4.22Å; L269-F277 HydrophobicContact CD2-CB 4.5Å; L269-F277 HydrophobicContact CD2-CD1 4.17Å; C275-F277 VanDerWaalsContact O-CD2 3.3Å; C275-F277 WeakPolarHBondContact O-CD2 3.12Å; C275-F277 WeakPolarHBondContact O-CE2 3.5Å; F277-K279 PolarHBondContact O-NZ 3.41Å; F277-A301 HydrophobicContact CE1-CB 3.67Å; F277-A301 HydrophobicContact CZ-CB 3.76Å; F277-F305 HydrophobicContact CE1-CZ 4.32Å; F277-L313 HydrophobicContact CB-CD2 4.45Å; F277-L313 HydrophobicContact CD1-CB 3.92Å; F277-L313 HydrophobicContact CD1-CD1 4.22Å; F277-L313 HydrophobicContact CD1-CD2 4.14Å; F277-L313 HydrophobicContact CD1-CG 4.33Å; F277-L313 HydrophobicContact CD2-CD2 4.24Å; F277-L313 HydrophobicContact CE1-CB 4.08Å; F277-L313 HydrophobicContact CE1-CD1 3.76Å; F277-L313 HydrophobicContact CE1-CD2 4.49Å; F277-L313 HydrophobicContact CE1-CG 4.34Å; F277-L313 HydrophobicContact CE2-CD1 4.27Å; F277-L313 HydrophobicContact CG-CD2 4.03Å; F277-L313 HydrophobicContact CZ-CD1 3.8Å; F277-L429 HydrophobicContact CD2-CD1 3.65Å; F277-L429 HydrophobicContact CE2-CB 4.05Å; F277-L429 HydrophobicContact CE2-CD1 3.74Å; F277-M430 HydrophobicContact CE1-CE 4.31Å; F277-M430 HydrophobicContact CE2-CG 4.29Å; F277-M430 HydrophobicContact CZ-CE 3.69Å; F277-M430 HydrophobicContact CZ-CG 3.85Å
278	D	98.6	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.141	C	C	.	.			trans	-59.6	136.4	171.3	-70	-17.8	0	0	0	110.7	M243 A267 T268 L269 L280 I283	M243-D278 HydrophobicContact CB-CB 4.37Å; M243-D278 WeakPolarHBondContact CB-OD1 3.4Å; M243-D278 PolarHBondContact N-OD1 2.72Å; A267-D278 WeakPolarHBondContact CA-OD2 3.41Å; A267-D278 HydrophobicContact CB-CB 4.03Å; T268-D278 PolarHBondContact N-OD2 2.82Å; T268-D278 WeakPolarHBondContact O-CB 3.18Å; T268-D278 PolarHBondContact O-N 2.97Å; L269-D278 WeakPolarHBondContact CD2-O 3.35Å; D278-L280 PolarHBondContact O-N 3.36Å; D278-L280 VanDerWaalsContact O-N 3.1Å; D278-I283 HydrophobicContact CB-CD1 3.76Å
279	K	98.4	Very high	98.3	Very high	62 Å²	62	32.2 Å²	32.2	27%	0.27	17%	0.168	S	C	.	.			trans	-81.6	92.7	-174.4	-59.3	-52.9	-177.6	-139.6	0	111.6	E242 F277 K281 D282 I283	E242-K279 VanDerWaalsContact CD-CE 3.45Å; E242-K279 WeakPolarHBondContact OE1-CE 3.49Å; E242-K279 IonicContact OE1-NZ 2.69Å; E242-K279 PolarHBondContact OE1-NZ 3.01Å; E242-K279 WeakPolarHBondContact OE2-CE 3.2Å; E242-K279 IonicContact OE2-NZ 3.31Å; F277-K279 PolarHBondContact O-NZ 3.41Å; K279-K281 VanDerWaalsContact C-N 3.3Å; K279-K281 PolarHBondContact O-N 2.91Å; K279-D282 HydrophobicContact CB-CB 4.18Å; K279-D282 VanDerWaalsContact CB-OD2 3.31Å; K279-D282 WeakPolarHBondContact CB-OD2 3.43Å; K279-D282 PolarHBondContact O-N 3.47Å; K279-I283 WeakPolarHBondContact O-CG1 3.42Å; K279-I283 PolarHBondContact O-N 3.27Å
280	L	98.8	Very high	98.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-38.6	-176.8	-53.3	-168.7	0	0	0	112.9	A267 L269 D278 D282 I283 G284 I296 D315 I317	A267-L280 HydrophobicContact CB-CD2 3.52Å; L269-L280 HydrophobicContact CD1-CD1 4Å; L269-L280 HydrophobicContact CD2-CD1 4.32Å; L269-L280 HydrophobicContact CD2-CD2 4.09Å; L269-L280 HydrophobicContact CD2-CG 4.02Å; L269-L280 HydrophobicContact CG-CD1 4.47Å; D278-L280 PolarHBondContact O-N 3.36Å; D278-L280 VanDerWaalsContact O-N 3.1Å; L280-D282 PolarHBondContact O-N 2.88Å; L280-D282 VanDerWaalsContact O-N 3.12Å; L280-I283 PolarHBondContact O-N 3.2Å; L280-G284 WeakPolarHBondContact O-CA 3.04Å; L280-G284 PolarHBondContact O-N 3.32Å; L280-I296 HydrophobicContact CD1-CD1 3.78Å; L280-I296 HydrophobicContact CD1-CG1 4.05Å; L280-I296 HydrophobicContact CD1-CG2 4.17Å; L280-I296 HydrophobicContact CD2-CD1 3.49Å; L280-I296 VanDerWaalsContact CD2-CD1 3.49Å; L280-I296 HydrophobicContact CG-CD1 4.26Å; L280-D315 CarbonylContact C-O 3.59Å; L280-D315 WeakPolarHBondContact CB-O 3.43Å; L280-I317 HydrophobicContact CD1-CB 4.47Å; L280-I317 HydrophobicContact CD1-CD1 4.24Å
281	K	98.5	Very high	98.1	Very high	115 Å²	115	38.6 Å²	38.6	50%	0.5	20%	0.197	S	C	.	.	H	α-helix	trans	-57.6	-24.8	175.6	66.5	-179.4	-174.8	-177.9	0	114.3	K279 P285 D315	K279-K281 VanDerWaalsContact C-N 3.3Å; K279-K281 PolarHBondContact O-N 2.91Å; K281-P285 WeakPolarHBondContact O-CD 3.47Å; K281-P285 WeakPolarHBondContact O-CG 3.28Å; K281-D315 WeakPolarHBondContact CB-O 3.19Å; K281-D315 PolarHBondContact N-O 2.92Å
282	D	98.5	Very high	98.2	Very high	73 Å²	73	39 Å²	39	39%	0.39	20%	0.199	S	C	.	.	H	α-helix	trans	-97.3	-35.1	179.4	-58.3	-34.3	0	0	0	111.4	T245 K279 L280 I286	T245-D282 HydrophobicContact CG2-CB 3.56Å; K279-D282 HydrophobicContact CB-CB 4.18Å; K279-D282 VanDerWaalsContact CB-OD2 3.31Å; K279-D282 WeakPolarHBondContact CB-OD2 3.43Å; K279-D282 PolarHBondContact O-N 3.47Å; L280-D282 PolarHBondContact O-N 2.88Å; L280-D282 VanDerWaalsContact O-N 3.12Å; D282-I286 WeakPolarHBondContact O-CD1 3.42Å
283	I	98.8	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-77.3	-39.6	179.3	-64.5	166.4	0	0	0	111.9	M243 T245 L248 A267 D278 K279 L280 I286 C287 L294	M243-I283 HydrophobicContact CB-CD1 4.24Å; M243-I283 HydrophobicContact SD-CD1 3.78Å; M243-I283 HydrophobicContact SD-CG1 4.21Å; T245-I283 HydrophobicContact CG2-CG1 3.96Å; L248-I283 HydrophobicContact CD2-CB 4.49Å; L248-I283 HydrophobicContact CD2-CG1 4.25Å; L248-I283 HydrophobicContact CD2-CG2 3.98Å; A267-I283 HydrophobicContact CB-CD1 4.06Å; D278-I283 HydrophobicContact CB-CD1 3.76Å; K279-I283 WeakPolarHBondContact O-CG1 3.42Å; K279-I283 PolarHBondContact O-N 3.27Å; L280-I283 PolarHBondContact O-N 3.2Å; I283-I286 WeakPolarHBondContact O-CB 3.5Å; I283-I286 PolarHBondContact O-N 3.36Å; I283-C287 PolarHBondContact O-N 2.93Å; I283-C287 PolarHBondContact O-SG 3.02Å; I283-C287 VanDerWaalsContact O-SG 3.35Å; I283-L294 HydrophobicContact CG2-CD1 3.92Å
284	G	98.7	Very high	98.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55	-55	-176.4	0	0	0	0	0	113.4	L280 I286 C287 D288	L280-G284 WeakPolarHBondContact O-CA 3.04Å; L280-G284 PolarHBondContact O-N 3.32Å; G284-I286 PolarHBondContact O-N 2.95Å; G284-C287 PolarHBondContact O-N 3.34Å; G284-C287 VanDerWaalsContact O-N 3.09Å; G284-D288 WeakPolarHBondContact O-CB 3.28Å; G284-D288 PolarHBondContact O-N 2.54Å
285	P	98.7	Very high	98.4	Very high	53 Å²	53	35.5 Å²	35.5	34%	0.344	18%	0.176	S	C	.	.	H	α-helix	trans	-58.9	-32.9	176.5	-26.1	34.6	0	0	0	114	K281 K289 Y319	K281-P285 WeakPolarHBondContact O-CD 3.47Å; K281-P285 WeakPolarHBondContact O-CG 3.28Å; P285-K289 WeakPolarHBondContact O-CB 3.16Å; P285-K289 PolarHBondContact O-N 2.85Å; P285-K289 VanDerWaalsContact O-N 3.08Å; P285-Y319 HydrophobicContact CG-CE1 4.35Å; P285-Y319 HydrophobicContact CG-CE2 4.06Å
286	I	98.7	Very high	98.4	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-49.3	174.6	-60.7	168.2	0	0	0	109.2	L248 K249 I252 D282 I283 G284 D288 K289 Y290	L248-I286 HydrophobicContact CD2-CD1 4.2Å; L248-I286 HydrophobicContact CD2-CG2 4.43Å; K249-I286 HydrophobicContact CB-CD1 4.17Å; I252-I286 HydrophobicContact CD1-CG2 3.6Å; D282-I286 WeakPolarHBondContact O-CD1 3.42Å; I283-I286 WeakPolarHBondContact O-CB 3.5Å; I283-I286 PolarHBondContact O-N 3.36Å; G284-I286 PolarHBondContact O-N 2.95Å; I286-D288 VanDerWaalsContact C-N 3.32Å; I286-D288 PolarHBondContact O-N 3.47Å; I286-K289 PolarHBondContact O-N 3.32Å; I286-Y290 HydrophobicContact CG2-CD2 4.26Å; I286-Y290 HydrophobicContact CG2-CE2 4.42Å; I286-Y290 VanDerWaalsContact O-CD2 3.32Å; I286-Y290 WeakPolarHBondContact O-CD2 3.23Å; I286-Y290 PolarHBondContact O-N 3.48Å
287	C	98.7	Very high	98.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-42.8	179.9	-64.6	0	0	0	0	111.8	I283 G284 Y290 N291 I292 L294	I283-C287 PolarHBondContact O-N 2.93Å; I283-C287 PolarHBondContact O-SG 3.02Å; I283-C287 VanDerWaalsContact O-SG 3.35Å; G284-C287 PolarHBondContact O-N 3.34Å; G284-C287 VanDerWaalsContact O-N 3.09Å; C287-Y290 CarbonylContact O-C 3.57Å; C287-Y290 PolarHBondContact O-N 3.34Å; C287-N291 PolarHBondContact O-N 3.09Å; C287-I292 HydrophobicContact CB-CB 4.03Å; C287-I292 HydrophobicContact CB-CG2 4.33Å; C287-I292 PolarHBondContact O-N 2.95Å; C287-L294 HydrophobicContact CB-CB 4.11Å
288	D	98.2	Very high	98.5	Very high	111 Å²	111	35 Å²	35	59%	0.594	17%	0.171	S	C	*	.	H	α-helix	trans	-60.6	-47.2	177.6	-168.8	64.9	0	0	0	111.9	G284 I286 Y290 N291 Y319	G284-D288 WeakPolarHBondContact O-CB 3.28Å; G284-D288 PolarHBondContact O-N 2.54Å; I286-D288 VanDerWaalsContact C-N 3.32Å; I286-D288 PolarHBondContact O-N 3.47Å; D288-Y290 VanDerWaalsContact C-N 3.26Å; D288-Y290 PolarHBondContact O-N 2.81Å; D288-N291 PolarHBondContact O-N 3.18Å; D288-Y319 HydrophobicContact CB-CD1 4.01Å; D288-Y319 HydrophobicContact CB-CE1 4.23Å
289	K	98.2	Very high	98.6	Very high	136 Å²	136	35.4 Å²	35.4	59%	0.591	18%	0.175	S	C	*	.	H	α-helix	trans	-54.4	-39.8	177.5	179.1	-174.5	173.2	-159	0	113	E253 P285 I286	E253-K289 IonicContact OE1-NZ 2.62Å; P285-K289 WeakPolarHBondContact O-CB 3.16Å; P285-K289 PolarHBondContact O-N 2.85Å; P285-K289 VanDerWaalsContact O-N 3.08Å; I286-K289 PolarHBondContact O-N 3.32Å
290	Y	97.6	Very high	98.6	Very high	54 Å²	54	32.5 Å²	32.5	21%	0.212	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.7	-178.3	-65.8	-85.8	0	0	0	113.3	I252 E253 V256 I286 C287 D288 I292	I252-Y290 HydrophobicContact CG2-CD1 3.71Å; I252-Y290 HydrophobicContact CG2-CD2 3.67Å; I252-Y290 HydrophobicContact CG2-CE1 3.82Å; I252-Y290 HydrophobicContact CG2-CE2 3.81Å; I252-Y290 HydrophobicContact CG2-CG 3.65Å; E253-Y290 WeakPolarHBondContact CG-OH 3.49Å; E253-Y290 PolarHBondContact OE1-OH 3.32Å; V256-Y290 HydrophobicContact CG2-CD1 4.29Å; V256-Y290 HydrophobicContact CG2-CE1 4.34Å; I286-Y290 HydrophobicContact CG2-CD2 4.26Å; I286-Y290 HydrophobicContact CG2-CE2 4.42Å; I286-Y290 VanDerWaalsContact O-CD2 3.32Å; I286-Y290 WeakPolarHBondContact O-CD2 3.23Å; I286-Y290 PolarHBondContact O-N 3.48Å; C287-Y290 CarbonylContact O-C 3.57Å; C287-Y290 PolarHBondContact O-N 3.34Å; D288-Y290 VanDerWaalsContact C-N 3.26Å; D288-Y290 PolarHBondContact O-N 2.81Å; Y290-I292 PolarHBondContact O-N 3.11Å
291	N	97.3	Very high	98.6	Very high	86 Å²	86	32.4 Å²	32.4	46%	0.46	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.6	-177.3	-164.5	15.1	0	0	0	113.6	Q192 C287 D288	Q192-N291 PolarHBondContact NE2-ND2 2.87Å; C287-N291 PolarHBondContact O-N 3.09Å; D288-N291 PolarHBondContact O-N 3.18Å
292	I	98.8	Very high	98.6	Very high	9 Å²	9	27 Å²	27	5%	0.046	14%	0.138	C	C	.	.			trans	-82.2	134	178.6	-65.9	171.4	0	0	0	108.9	Y212 I252 P262 F264 C265 C287 Y290 L294	Y212-I292 HydrophobicContact CE2-CD1 4.13Å; I252-I292 HydrophobicContact CD1-CD1 3.64Å; I252-I292 HydrophobicContact CG1-CD1 4.13Å; I252-I292 HydrophobicContact CG2-CD1 4.41Å; P262-I292 HydrophobicContact CB-CD1 3.65Å; P262-I292 HydrophobicContact CB-CG1 3.78Å; F264-I292 VanDerWaalsContact C-CG2 3.42Å; C265-I292 HydrophobicContact CB-CG2 3.69Å; C287-I292 HydrophobicContact CB-CB 4.03Å; C287-I292 HydrophobicContact CB-CG2 4.33Å; C287-I292 PolarHBondContact O-N 2.95Å; Y290-I292 PolarHBondContact O-N 3.11Å; I292-L294 PolarHBondContact O-N 3.47Å; I292-L294 VanDerWaalsContact O-N 3.11Å
293	W	98.8	Very high	98.6	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	108.1	171.4	-172.5	-63.4	0	0	0	110.3	A184 A185 K188 F263 F264 C265 M321 S322 Y342 W347 V348	A184-W293 HydrophobicContact CB-CH2 4.29Å; A185-W293 HydrophobicContact CB-CB 3.54Å; A185-W293 HydrophobicContact CB-CD2 3.75Å; A185-W293 HydrophobicContact CB-CE3 3.91Å; A185-W293 HydrophobicContact CB-CG 3.6Å; K188-W293 HydrophobicContact CD-CE3 4.1Å; K188-W293 HydrophobicContact CD-CZ3 4.27Å; F263-W293 WeakPolarHBondContact O-CB 3.34Å; F263-W293 PolarHBondContact O-N 2.81Å; F264-W293 WeakPolarHBondContact CA-O 3.35Å; F264-W293 HydrophobicContact CD2-CB 4.18Å; F264-W293 AromaticContact CD2-CD1 3.94Å; F264-W293 HydrophobicContact CD2-CG 4.23Å; F264-W293 AromaticContact CE2-CD1 3.95Å; C265-W293 PolarHBondContact N-O 2.73Å; W293-M321 HydrophobicContact CD2-CB 3.63Å; W293-M321 HydrophobicContact CD2-CG 4.24Å; W293-M321 VanDerWaalsContact CE2-CB 3.45Å; W293-M321 HydrophobicContact CE3-CB 4.31Å; W293-M321 HydrophobicContact CE3-CE 4.23Å; W293-M321 HydrophobicContact CG-CB 3.78Å; W293-M321 HydrophobicContact CG-CG 4.27Å; W293-M321 HydrophobicContact CH2-CE 4.34Å; W293-M321 HydrophobicContact CZ2-CB 3.99Å; W293-M321 HydrophobicContact CZ3-CE 4.08Å; W293-S322 PolarHBondContact NE1-OG 3.09Å; W293-Y342 HydrophobicContact CZ2-CD1 4.03Å; W293-W347 HydrophobicContact CH2-CB 4.1Å; W293-W347 HydrophobicContact CZ3-CB 3.81Å; W293-W347 HydrophobicContact CZ3-CG 4.14Å; W293-V348 HydrophobicContact CH2-CG2 4.47Å
294	L	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	112	173.6	-179.3	57.7	0	0	0	110.7	C265 A267 I283 C287 I292 I296 M321 S322	C265-L294 HydrophobicContact CB-CD1 4.28Å; C265-L294 WeakPolarHBondContact O-CA 3.3Å; A267-L294 HydrophobicContact CB-CD1 4.01Å; I283-L294 HydrophobicContact CG2-CD1 3.92Å; C287-L294 HydrophobicContact CB-CB 4.11Å; I292-L294 PolarHBondContact O-N 3.47Å; I292-L294 VanDerWaalsContact O-N 3.11Å; L294-I296 HydrophobicContact CD1-CD1 3.84Å; L294-I296 HydrophobicContact CD2-CD1 4.04Å; L294-I296 HydrophobicContact CG-CD1 3.65Å; L294-M321 PolarHBondContact O-N 2.76Å; L294-S322 PolarHBondContact O-N 3.05Å
295	H	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.5	172.6	176.9	57.6	0	0	0	110.2	T178 F264 C265 C266 A267 S322	T178-H295 WeakPolarHBondContact CA-NE2 3.41Å; T178-H295 PolarHBondContact OG1-NE2 2.94Å; F264-H295 HydrophobicContact CE1-CB 4.44Å; F264-H295 HydrophobicContact CE2-CB 3.56Å; F264-H295 HydrophobicContact CZ-CB 3.47Å; F264-H295 VanDerWaalsContact CZ-CB 3.47Å; F264-H295 AromaticContact CZ-CD2 3.99Å; F264-H295 AromaticContact CZ-CG 3.96Å; C265-H295 PolarHBondContact O-N 2.88Å; C266-H295 VanDerWaalsContact CA-O 3.32Å; C266-H295 WeakPolarHBondContact CA-O 3.4Å; A267-H295 PolarHBondContact N-O 2.92Å; H295-S322 WeakPolarHBondContact CA-O 3.2Å; H295-S322 PolarHBondContact ND1-OG 2.96Å
296	I	98.9	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.7	178.2	-48.5	-52.5	0	0	0	109.6	A267 L269 L280 L294 I317 A320 S322 F323 V324	A267-I296 HydrophobicContact CB-CD1 3.94Å; A267-I296 WeakPolarHBondContact O-CA 3.26Å; L269-I296 HydrophobicContact CD1-CG2 3.75Å; L269-I296 HydrophobicContact CG-CG2 3.79Å; L280-I296 HydrophobicContact CD1-CD1 3.78Å; L280-I296 HydrophobicContact CD1-CG1 4.05Å; L280-I296 HydrophobicContact CD1-CG2 4.17Å; L280-I296 HydrophobicContact CD2-CD1 3.49Å; L280-I296 VanDerWaalsContact CD2-CD1 3.49Å; L280-I296 HydrophobicContact CG-CD1 4.26Å; L294-I296 HydrophobicContact CD1-CD1 3.84Å; L294-I296 HydrophobicContact CD2-CD1 4.04Å; L294-I296 HydrophobicContact CG-CD1 3.65Å; I296-I317 HydrophobicContact CG1-CD1 3.97Å; I296-A320 HydrophobicContact CD1-CB 4.26Å; I296-A320 HydrophobicContact CG1-CB 3.56Å; I296-S322 PolarHBondContact N-O 3.01Å; I296-F323 HydrophobicContact CB-CB 4.48Å; I296-F323 HydrophobicContact CB-CD2 3.81Å; I296-F323 HydrophobicContact CG2-CD2 3.72Å; I296-F323 HydrophobicContact CG2-CE2 4.08Å; I296-V324 PolarHBondContact O-N 3.14Å
297	D	98.9	Very high	98.6	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	106.9	168.9	-175.4	-6.1	0	0	0	109.5	A267 T268 L269 A299 V324	A267-D297 PolarHBondContact O-N 3.1Å; T268-D297 CarbonylContact C-O 3.55Å; T268-D297 WeakPolarHBondContact CA-O 3.44Å; L269-D297 PolarHBondContact N-O 2.75Å; D297-A299 WeakPolarHBondContact OD1-CB 3.39Å; D297-A299 PolarHBondContact OD1-N 3.32Å; D297-V324 HydrophobicContact CB-CG1 4.46Å
298	A	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.			trans	-114.4	32.4	174.1	0	0	0	0	0	111.4	L269 Y300 A301 G302 F305 F323 V324 F325	L269-A298 HydrophobicContact CB-CB 4.04Å; L269-A298 WeakPolarHBondContact O-CA 3.35Å; A298-Y300 VanDerWaalsContact C-N 3.26Å; A298-Y300 CarbonylContact O-C 3.55Å; A298-Y300 PolarHBondContact O-N 2.95Å; A298-A301 PolarHBondContact O-N 3.45Å; A298-G302 WeakPolarHBondContact O-CA 3.37Å; A298-G302 PolarHBondContact O-N 3.35Å; A298-F305 HydrophobicContact CB-CE2 4.19Å; A298-F323 HydrophobicContact CB-CE2 3.64Å; A298-F323 HydrophobicContact CB-CZ 3.79Å; A298-V324 CarbonylContact C-O 3.47Å; A298-V324 WeakPolarHBondContact CA-O 3.32Å; A298-V324 WeakPolarHBondContact CB-O 3.28Å; A298-V324 PolarHBondContact N-O 3.33Å; A298-F325 HydrophobicContact CB-CB 4.19Å; A298-F325 VanDerWaalsContact O-CB 3.23Å; A298-F325 WeakPolarHBondContact O-CB 3.46Å
299	A	98.8	Very high	98.6	Very high	11 Å²	11	21.7 Å²	21.7	9%	0.091	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-38	-49.9	-170.8	0	0	0	0	0	115.2	C174 D297 N326	C174-A299 HydrophobicContact CB-CB 4.15Å; C174-A299 VanDerWaalsContact SG-CB 3.58Å; D297-A299 WeakPolarHBondContact OD1-CB 3.39Å; D297-A299 PolarHBondContact OD1-N 3.32Å; A299-N326 WeakPolarHBondContact CB-ND2 3.36Å; A299-N326 VanDerWaalsContact O-CB 3.31Å; A299-N326 WeakPolarHBondContact O-CB 3.43Å; A299-N326 PolarHBondContact O-N 2.76Å; A299-N326 PolarHBondContact O-ND2 3.18Å
300	Y	98.8	Very high	98.6	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-60.1	178.2	167.5	-113.3	0	0	0	111.7	F108 P109 A298 G302 S303 W330 M430 G431	F108-Y300 HydrophobicContact CB-CD2 4.13Å; F108-Y300 HydrophobicContact CB-CG 4.49Å; F108-Y300 AromaticContact CD1-CD1 3.68Å; F108-Y300 HydrophobicContact CD1-CD1 3.68Å; F108-Y300 AromaticContact CD1-CD2 3.59Å; F108-Y300 HydrophobicContact CD1-CD2 3.59Å; F108-Y300 AromaticContact CD1-CE1 3.84Å; F108-Y300 HydrophobicContact CD1-CE1 3.84Å; F108-Y300 AromaticContact CD1-CE2 3.76Å; F108-Y300 HydrophobicContact CD1-CE2 3.76Å; F108-Y300 AromaticContact CD1-CG 3.55Å; F108-Y300 HydrophobicContact CD1-CG 3.55Å; F108-Y300 AromaticContact CD1-CZ 3.89Å; F108-Y300 HydrophobicContact CD2-CD2 4.5Å; F108-Y300 HydrophobicContact CD2-CG 4.03Å; F108-Y300 AromaticContact CE1-CD1 3.23Å; F108-Y300 HydrophobicContact CE1-CD1 3.23Å; F108-Y300 HydrophobicContact CE1-CD2 4.06Å; F108-Y300 AromaticContact CE1-CE1 3.39Å; F108-Y300 HydrophobicContact CE1-CE1 3.39Å; F108-Y300 HydrophobicContact CE1-CE2 4.2Å; F108-Y300 AromaticContact CE1-CG 3.59Å; F108-Y300 HydrophobicContact CE1-CG 3.59Å; F108-Y300 AromaticContact CE1-CZ 3.89Å; F108-Y300 HydrophobicContact CE2-CD1 4.1Å; F108-Y300 HydrophobicContact CE2-CG 4.03Å; F108-Y300 HydrophobicContact CG-CD1 4.31Å; F108-Y300 AromaticContact CG-CD2 3.85Å; F108-Y300 HydrophobicContact CG-CD2 3.85Å; F108-Y300 HydrophobicContact CG-CE2 4.42Å; F108-Y300 AromaticContact CG-CG 3.78Å; F108-Y300 HydrophobicContact CG-CG 3.78Å; F108-Y300 AromaticContact CZ-CD1 3.47Å; F108-Y300 HydrophobicContact CZ-CD1 3.47Å; F108-Y300 VanDerWaalsContact CZ-CD1 3.47Å; F108-Y300 HydrophobicContact CZ-CE1 4.05Å; F108-Y300 AromaticContact CZ-CG 3.83Å; F108-Y300 HydrophobicContact CZ-CG 3.83Å; P109-Y300 HydrophobicContact CG-CD2 4.29Å; P109-Y300 HydrophobicContact CG-CE2 3.83Å; A298-Y300 VanDerWaalsContact C-N 3.26Å; A298-Y300 CarbonylContact O-C 3.55Å; A298-Y300 PolarHBondContact O-N 2.95Å; Y300-G302 PolarHBondContact O-N 3.09Å; Y300-S303 PolarHBondContact O-N 3.06Å; Y300-W330 HydrophobicContact CD2-CB 4.14Å; Y300-W330 HydrophobicContact CD2-CD2 4.31Å; Y300-W330 HydrophobicContact CD2-CE3 4.13Å; Y300-W330 HydrophobicContact CD2-CG 4.34Å; Y300-W330 HydrophobicContact CE1-CE3 4.35Å; Y300-W330 HydrophobicContact CE1-CZ3 4.22Å; Y300-W330 HydrophobicContact CE2-CB 4.03Å; Y300-W330 AromaticContact CE2-CD2 3.49Å; Y300-W330 HydrophobicContact CE2-CD2 3.49Å; Y300-W330 VanDerWaalsContact CE2-CD2 3.49Å; Y300-W330 AromaticContact CE2-CE3 3.5Å; Y300-W330 HydrophobicContact CE2-CE3 3.5Å; Y300-W330 AromaticContact CE2-CG 3.74Å; Y300-W330 HydrophobicContact CE2-CG 3.74Å; Y300-W330 HydrophobicContact CE2-CZ3 4.1Å; Y300-W330 AromaticContact CZ-CD2 3.9Å; Y300-W330 AromaticContact CZ-CE3 3.64Å; Y300-W330 AromaticContact CZ-CZ3 3.72Å; Y300-W330 WeakPolarHBondContact OH-CH2 3.33Å; Y300-W330 WeakPolarHBondContact OH-CZ2 3.46Å; Y300-M430 HydrophobicContact CE1-CB 3.94Å; Y300-G431 WeakPolarHBondContact OH-CA 3.27Å; Y300-G431 PolarHBondContact OH-N 3.21Å
301	A	98.7	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-68.8	-17.4	-169.9	0	0	0	0	0	113.9	L269 F277 A298 S303 S304 F305	L269-A301 WeakPolarHBondContact O-CB 3.03Å; F277-A301 HydrophobicContact CE1-CB 3.67Å; F277-A301 HydrophobicContact CZ-CB 3.76Å; A298-A301 PolarHBondContact O-N 3.45Å; A301-S303 PolarHBondContact O-N 2.87Å; A301-S303 VanDerWaalsContact O-N 3.12Å; A301-S304 VanDerWaalsContact O-CB 3.29Å; A301-S304 WeakPolarHBondContact O-CB 3Å; A301-S304 PolarHBondContact O-N 3.36Å; A301-S304 PolarHBondContact O-OG 3.15Å; A301-F305 HydrophobicContact CB-CZ 4.48Å
302	G	98.7	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-54.2	-32	175.5	0	0	0	0	0	113.6	L154 A298 Y300 S304 F305	L154-G302 WeakPolarHBondContact CD2-O 3.44Å; A298-G302 WeakPolarHBondContact O-CA 3.37Å; A298-G302 PolarHBondContact O-N 3.35Å; Y300-G302 PolarHBondContact O-N 3.09Å; G302-S304 PolarHBondContact O-N 2.87Å; G302-F305 PolarHBondContact O-N 3.33Å
303	S	98.7	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-64.5	-27.5	175.7	-56.7	0	0	0	0	112.8	Y300 A301 F305 I306	Y300-S303 PolarHBondContact O-N 3.06Å; A301-S303 PolarHBondContact O-N 2.87Å; A301-S303 VanDerWaalsContact O-N 3.12Å; S303-F305 VanDerWaalsContact C-N 3.3Å; S303-F305 PolarHBondContact O-N 3.23Å; S303-I306 WeakPolarHBondContact O-CG1 3.43Å
304	S	98.7	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-70.7	-25.8	-179.4	73.4	0	0	0	0	113.3	A301 G302 I306 C307 M430	A301-S304 VanDerWaalsContact O-CB 3.29Å; A301-S304 WeakPolarHBondContact O-CB 3Å; A301-S304 PolarHBondContact O-N 3.36Å; A301-S304 PolarHBondContact O-OG 3.15Å; G302-S304 PolarHBondContact O-N 2.87Å; S304-I306 PolarHBondContact O-N 3.33Å; S304-I306 VanDerWaalsContact O-N 3.11Å; S304-C307 VanDerWaalsContact O-CB 3.31Å; S304-C307 WeakPolarHBondContact O-CB 3.31Å; S304-C307 PolarHBondContact O-N 2.82Å; S304-M430 VanDerWaalsContact CB-SD 3.55Å; S304-M430 VanDerWaalsContact OG-CE 3.24Å; S304-M430 WeakPolarHBondContact OG-CE 3.25Å
305	F	98.8	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-73.6	-4.6	-173.6	-51.4	-38	0	0	0	113.9	L154 L269 F277 A298 A301 G302 S303 C307 Y310 R311 L313 M314 F323	L154-F305 HydrophobicContact CD2-CB 3.9Å; L269-F305 HydrophobicContact CB-CZ 4.31Å; L269-F305 HydrophobicContact CD1-CE2 4Å; L269-F305 HydrophobicContact CD1-CZ 3.96Å; F277-F305 HydrophobicContact CE1-CZ 4.32Å; A298-F305 HydrophobicContact CB-CE2 4.19Å; A301-F305 HydrophobicContact CB-CZ 4.48Å; G302-F305 PolarHBondContact O-N 3.33Å; S303-F305 VanDerWaalsContact C-N 3.3Å; S303-F305 PolarHBondContact O-N 3.23Å; F305-C307 PolarHBondContact O-N 2.97Å; F305-Y310 WeakPolarHBondContact CD1-O 3.44Å; F305-R311 HydrophobicContact CB-CG 4.47Å; F305-R311 PolarHBondContact O-NE 3.07Å; F305-L313 HydrophobicContact CE1-CB 3.87Å; F305-L313 HydrophobicContact CE1-CD1 4.35Å; F305-L313 HydrophobicContact CZ-CB 4.38Å; F305-M314 HydrophobicContact CB-CE 3.58Å; F305-M314 HydrophobicContact CB-SD 4.01Å; F305-M314 HydrophobicContact CD1-CE 4.36Å; F305-M314 HydrophobicContact CD1-CG 4.05Å; F305-M314 HydrophobicContact CD1-SD 4.36Å; F305-M314 HydrophobicContact CD2-CE 3.89Å; F305-M314 HydrophobicContact CD2-CG 3.54Å; F305-M314 HydrophobicContact CD2-SD 3.12Å; F305-M314 WeakPolarHBondContact CD2-SD 3.48Å; F305-M314 HydrophobicContact CE1-CG 3.95Å; F305-M314 HydrophobicContact CE2-CG 3.37Å; F305-M314 HydrophobicContact CE2-SD 3.54Å; F305-M314 VanDerWaalsContact CE2-SD 3.54Å; F305-M314 HydrophobicContact CG-CE 3.69Å; F305-M314 HydrophobicContact CG-CG 3.87Å; F305-M314 HydrophobicContact CG-SD 3.59Å; F305-M314 VanDerWaalsContact CG-SD 3.59Å; F305-M314 HydrophobicContact CZ-CG 3.61Å; F305-M314 HydrophobicContact CZ-SD 4.34Å; F305-F323 HydrophobicContact CD2-CZ 4.25Å; F305-F323 HydrophobicContact CE2-CE2 4.43Å; F305-F323 HydrophobicContact CE2-CZ 4.37Å
306	I	98.7	Very high	98.7	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.4	-24	163.3	75.9	171.7	0	0	0	111.1	I153 L154 S303 S304 L331 L398 Q399 I402	I153-I306 HydrophobicContact CG2-CB 3.66Å; I153-I306 HydrophobicContact CG2-CG2 3.53Å; L154-I306 HydrophobicContact CD2-CG2 3.85Å; S303-I306 WeakPolarHBondContact O-CG1 3.43Å; S304-I306 PolarHBondContact O-N 3.33Å; S304-I306 VanDerWaalsContact O-N 3.11Å; I306-L331 HydrophobicContact CD1-CD2 3.73Å; I306-L331 HydrophobicContact CG2-CD1 4.5Å; I306-L331 HydrophobicContact CG2-CD2 4.43Å; I306-L398 HydrophobicContact CD1-CB 3.62Å; I306-Q399 HydrophobicContact CD1-CG 4.04Å; I306-Q399 HydrophobicContact CG1-CG 3.87Å; I306-Q399 PolarHBondContact O-NE2 3.47Å; I306-I402 HydrophobicContact CD1-CG1 4.12Å; I306-I402 HydrophobicContact CG1-CG1 4.41Å
307	C	98.8	Very high	98.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-91.8	119	174.7	-52.5	0	0	0	0	109.2	S304 F305 E309 Y310	S304-C307 VanDerWaalsContact O-CB 3.31Å; S304-C307 WeakPolarHBondContact O-CB 3.31Å; S304-C307 PolarHBondContact O-N 2.82Å; F305-C307 PolarHBondContact O-N 2.97Å; C307-E309 HydrophobicContact CB-CG 4.46Å; C307-E309 PolarHBondContact O-N 2.92Å; C307-E309 VanDerWaalsContact O-N 3.15Å; C307-Y310 HydrophobicContact CB-CD2 3.77Å; C307-Y310 HydrophobicContact CB-CE2 4.19Å; C307-Y310 PolarHBondContact O-N 3.44Å; C307-Y310 VanDerWaalsContact O-N 3.16Å
308	P	98.6	Very high	98.6	Very high	66 Å²	66	29.2 Å²	29.2	43%	0.429	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-54.4	-34.6	-175.6	-28.5	35.9	0	0	0	115	Y310 R311	P308-Y310 PolarHBondContact O-N 3.39Å; P308-R311 WeakPolarHBondContact O-CB 3.3Å; P308-R311 PolarHBondContact O-N 3.5Å
309	E	98.6	Very high	98.6	Very high	81 Å²	81	33 Å²	33	38%	0.379	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-66	-15.4	-177.9	63.9	-89.7	-149.7	0	0	114.6	C307 Y312 R403	C307-E309 HydrophobicContact CB-CG 4.46Å; C307-E309 PolarHBondContact O-N 2.92Å; C307-E309 VanDerWaalsContact O-N 3.15Å; E309-Y312 WeakPolarHBondContact O-CD1 3.43Å; E309-Y312 VanDerWaalsContact O-CE1 3.25Å; E309-Y312 WeakPolarHBondContact O-CE1 3.44Å; E309-R403 VanDerWaalsContact CD-NH2 3.3Å; E309-R403 IonicContact OE1-CZ 2.7Å; E309-R403 IonicContact OE1-NE 2.86Å; E309-R403 PolarHBondContact OE1-NE 3.11Å; E309-R403 IonicContact OE1-NH2 2.73Å; E309-R403 PolarHBondContact OE1-NH2 3.14Å; E309-R403 IonicContact OE2-CZ 3.57Å; E309-R403 IonicContact OE2-NH2 3.23Å; E309-R403 PolarHBondContact OE2-NH2 3.28Å
310	Y	98.6	Very high	98.6	Very high	40 Å²	40	32.4 Å²	32.4	16%	0.157	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-103.7	-3	176.3	-60.4	-59.9	0	0	0	113.5	F305 C307 P308 Y312 L313 I406 M430	F305-Y310 WeakPolarHBondContact CD1-O 3.44Å; C307-Y310 HydrophobicContact CB-CD2 3.77Å; C307-Y310 HydrophobicContact CB-CE2 4.19Å; C307-Y310 PolarHBondContact O-N 3.44Å; C307-Y310 VanDerWaalsContact O-N 3.16Å; P308-Y310 PolarHBondContact O-N 3.39Å; Y310-Y312 PolarHBondContact O-N 2.94Å; Y310-L313 WeakPolarHBondContact O-CB 3.4Å; Y310-L313 PolarHBondContact O-N 3.28Å; Y310-I406 HydrophobicContact CD2-CD1 4.05Å; Y310-I406 HydrophobicContact CE1-CD1 4.08Å; Y310-I406 HydrophobicContact CE2-CD1 3.34Å; Y310-I406 WeakPolarHBondContact OH-CD1 3.36Å; Y310-I406 WeakPolarHBondContact OH-CG2 3.4Å; Y310-M430 HydrophobicContact CD1-CE 3.99Å; Y310-M430 HydrophobicContact CG-CE 4.07Å
311	R	98.4	Very high	98.6	Very high	68 Å²	68	33.1 Å²	33.1	26%	0.257	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-67.8	-21.3	-175.8	-67.9	178.8	-177.7	163.3	-3.8	113.8	I153 F305 P308 L313 M314	I153-R311 PolarHBondContact O-NH2 2.97Å; F305-R311 HydrophobicContact CB-CG 4.47Å; F305-R311 PolarHBondContact O-NE 3.07Å; P308-R311 WeakPolarHBondContact O-CB 3.3Å; P308-R311 PolarHBondContact O-N 3.5Å; R311-L313 PolarHBondContact O-N 3.11Å; R311-L313 VanDerWaalsContact O-N 3.13Å; R311-M314 HydrophobicContact CB-CE 4.34Å; R311-M314 HydrophobicContact CG-CE 4.19Å; R311-M314 WeakPolarHBondContact O-CB 3.33Å; R311-M314 PolarHBondContact O-N 3.22Å
312	Y	98.3	Very high	98.6	Very high	119 Å²	119	33.1 Å²	33.1	47%	0.467	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-59.5	-22.5	174.6	76.3	-87.6	0	0	0	112.6	E309 Y310 M314 D315	E309-Y312 WeakPolarHBondContact O-CD1 3.43Å; E309-Y312 VanDerWaalsContact O-CE1 3.25Å; E309-Y312 WeakPolarHBondContact O-CE1 3.44Å; Y310-Y312 PolarHBondContact O-N 2.94Å; Y312-M314 PolarHBondContact O-N 2.84Å; Y312-D315 WeakPolarHBondContact CA-OD1 3.35Å; Y312-D315 WeakPolarHBondContact O-CB 3.25Å; Y312-D315 PolarHBondContact O-N 2.71Å; Y312-D315 VanDerWaalsContact O-N 3.13Å
313	L	98.4	Very high	98.6	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.084	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-70.3	-13.8	174.7	-62.7	167.8	0	0	0	112.7	F277 F305 Y310 R311 L429 M430	F277-L313 HydrophobicContact CB-CD2 4.45Å; F277-L313 HydrophobicContact CD1-CB 3.92Å; F277-L313 HydrophobicContact CD1-CD1 4.22Å; F277-L313 HydrophobicContact CD1-CD2 4.14Å; F277-L313 HydrophobicContact CD1-CG 4.33Å; F277-L313 HydrophobicContact CD2-CD2 4.24Å; F277-L313 HydrophobicContact CE1-CB 4.08Å; F277-L313 HydrophobicContact CE1-CD1 3.76Å; F277-L313 HydrophobicContact CE1-CD2 4.49Å; F277-L313 HydrophobicContact CE1-CG 4.34Å; F277-L313 HydrophobicContact CE2-CD1 4.27Å; F277-L313 HydrophobicContact CG-CD2 4.03Å; F277-L313 HydrophobicContact CZ-CD1 3.8Å; F305-L313 HydrophobicContact CE1-CB 3.87Å; F305-L313 HydrophobicContact CE1-CD1 4.35Å; F305-L313 HydrophobicContact CZ-CB 4.38Å; Y310-L313 WeakPolarHBondContact O-CB 3.4Å; Y310-L313 PolarHBondContact O-N 3.28Å; R311-L313 PolarHBondContact O-N 3.11Å; R311-L313 VanDerWaalsContact O-N 3.13Å; L313-L429 HydrophobicContact CD2-CD1 4.38Å; L313-M430 HydrophobicContact CD1-CE 3.22Å
314	M	98.4	Very high	98.6	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.034	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-98.6	7.9	171.6	-64.5	-168	-63.6	0	0	113.1	L154 L156 L269 F305 R311 Y312 G316 I317 F323	L154-M314 WeakPolarHBondContact O-CE 3.24Å; L156-M314 HydrophobicContact CD2-SD 4.21Å; L269-M314 HydrophobicContact CD1-CG 3.9Å; F305-M314 HydrophobicContact CB-CE 3.58Å; F305-M314 HydrophobicContact CB-SD 4.01Å; F305-M314 HydrophobicContact CD1-CE 4.36Å; F305-M314 HydrophobicContact CD1-CG 4.05Å; F305-M314 HydrophobicContact CD1-SD 4.36Å; F305-M314 HydrophobicContact CD2-CE 3.89Å; F305-M314 HydrophobicContact CD2-CG 3.54Å; F305-M314 HydrophobicContact CD2-SD 3.12Å; F305-M314 WeakPolarHBondContact CD2-SD 3.48Å; F305-M314 HydrophobicContact CE1-CG 3.95Å; F305-M314 HydrophobicContact CE2-CG 3.37Å; F305-M314 HydrophobicContact CE2-SD 3.54Å; F305-M314 VanDerWaalsContact CE2-SD 3.54Å; F305-M314 HydrophobicContact CG-CE 3.69Å; F305-M314 HydrophobicContact CG-CG 3.87Å; F305-M314 HydrophobicContact CG-SD 3.59Å; F305-M314 VanDerWaalsContact CG-SD 3.59Å; F305-M314 HydrophobicContact CZ-CG 3.61Å; F305-M314 HydrophobicContact CZ-SD 4.34Å; R311-M314 HydrophobicContact CB-CE 4.34Å; R311-M314 HydrophobicContact CG-CE 4.19Å; R311-M314 WeakPolarHBondContact O-CB 3.33Å; R311-M314 PolarHBondContact O-N 3.22Å; Y312-M314 PolarHBondContact O-N 2.84Å; M314-G316 PolarHBondContact O-N 2.84Å; M314-G316 VanDerWaalsContact O-N 3.07Å; M314-I317 HydrophobicContact CB-CB 4.24Å; M314-I317 HydrophobicContact CB-CG2 4.42Å; M314-I317 VanDerWaalsContact O-CB 3.23Å; M314-I317 WeakPolarHBondContact O-CB 3.24Å; M314-I317 WeakPolarHBondContact O-CG2 3.33Å; M314-I317 PolarHBondContact O-N 2.93Å; M314-F323 HydrophobicContact SD-CE2 4.14Å; M314-F323 HydrophobicContact SD-CZ 4.27Å
315	D	98.5	Very high	98.6	Very high	89 Å²	89	33.1 Å²	33.1	48%	0.476	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	118.2	178.3	-77.1	-4.5	0	0	0	110.6	L280 K281 Y312	L280-D315 CarbonylContact C-O 3.59Å; L280-D315 WeakPolarHBondContact CB-O 3.43Å; K281-D315 WeakPolarHBondContact CB-O 3.19Å; K281-D315 PolarHBondContact N-O 2.92Å; Y312-D315 WeakPolarHBondContact CA-OD1 3.35Å; Y312-D315 WeakPolarHBondContact O-CB 3.25Å; Y312-D315 PolarHBondContact O-N 2.71Å; Y312-D315 VanDerWaalsContact O-N 3.13Å
316	G	98.5	Very high	98.6	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	3.8	-171.4	0	0	0	0	0	114.9	M314 E318 Y319	M314-G316 PolarHBondContact O-N 2.84Å; M314-G316 VanDerWaalsContact O-N 3.07Å; G316-E318 VanDerWaalsContact CA-OE2 3.28Å; G316-E318 WeakPolarHBondContact CA-OE2 3.43Å; G316-E318 PolarHBondContact N-OE2 2.96Å; G316-E318 PolarHBondContact O-N 3.35Å; G316-Y319 WeakPolarHBondContact O-CD2 3.34Å; G316-Y319 PolarHBondContact O-N 3.02Å
317	I	98.7	Very high	98.6	Very high	14 Å²	14	33 Å²	33	7%	0.072	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.4	178.1	-171.9	59.8	0	0	0	113.5	L156 P157 F160 L280 I296 M314 Y319 A320 F323	L156-I317 HydrophobicContact CD2-CG1 4.28Å; P157-I317 HydrophobicContact CG-CG2 3.93Å; F160-I317 HydrophobicContact CE2-CG1 4.37Å; L280-I317 HydrophobicContact CD1-CB 4.47Å; L280-I317 HydrophobicContact CD1-CD1 4.24Å; I296-I317 HydrophobicContact CG1-CD1 3.97Å; M314-I317 HydrophobicContact CB-CB 4.24Å; M314-I317 HydrophobicContact CB-CG2 4.42Å; M314-I317 VanDerWaalsContact O-CB 3.23Å; M314-I317 WeakPolarHBondContact O-CB 3.24Å; M314-I317 WeakPolarHBondContact O-CG2 3.33Å; M314-I317 PolarHBondContact O-N 2.93Å; I317-Y319 PolarHBondContact O-N 3.38Å; I317-Y319 VanDerWaalsContact O-N 3.17Å; I317-A320 HydrophobicContact CD1-CB 3.86Å; I317-A320 VanDerWaalsContact O-CB 3.24Å; I317-A320 WeakPolarHBondContact O-CB 3.44Å; I317-A320 PolarHBondContact O-N 3.41Å; I317-F323 HydrophobicContact CD1-CB 4.27Å; I317-F323 HydrophobicContact CD1-CD2 3.59Å; I317-F323 HydrophobicContact CD1-CE2 4.32Å; I317-F323 HydrophobicContact CD1-CG 4.22Å
318	E	98.4	Very high	98.6	Very high	94 Å²	94	33.6 Å²	33.6	44%	0.439	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-62.1	-19.3	177	66.2	-81	-173	0	0	114.2	P157 H159 G316	P157-E318 HydrophobicContact CG-CB 4.47Å; H159-E318 PolarHBondContact CE1-O 3.09Å; G316-E318 VanDerWaalsContact CA-OE2 3.28Å; G316-E318 WeakPolarHBondContact CA-OE2 3.43Å; G316-E318 PolarHBondContact N-OE2 2.96Å; G316-E318 PolarHBondContact O-N 3.35Å
319	Y	98.6	Very high	98.6	Very high	79 Å²	79	32.6 Å²	32.6	31%	0.31	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-82.7	-14.2	173.8	-66.7	-78.3	0	0	0	113.3	P285 D288 G316 I317	P285-Y319 HydrophobicContact CG-CE1 4.35Å; P285-Y319 HydrophobicContact CG-CE2 4.06Å; D288-Y319 HydrophobicContact CB-CD1 4.01Å; D288-Y319 HydrophobicContact CB-CE1 4.23Å; G316-Y319 WeakPolarHBondContact O-CD2 3.34Å; G316-Y319 PolarHBondContact O-N 3.02Å; I317-Y319 PolarHBondContact O-N 3.38Å; I317-Y319 VanDerWaalsContact O-N 3.17Å
320	A	98.7	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.127	C	C	.	.			trans	-69.1	136.6	-175	0	0	0	0	0	112	F160 I296 I317	F160-A320 HydrophobicContact CZ-CB 3.96Å; I296-A320 HydrophobicContact CD1-CB 4.26Å; I296-A320 HydrophobicContact CG1-CB 3.56Å; I317-A320 HydrophobicContact CD1-CB 3.86Å; I317-A320 VanDerWaalsContact O-CB 3.24Å; I317-A320 WeakPolarHBondContact O-CB 3.44Å; I317-A320 PolarHBondContact O-N 3.41Å
321	M	98.6	Very high	98.6	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.079	12%	0.121	C	C	.	.	S	Bend	trans	-89.7	-27.1	169.9	-71.9	-62.8	-59.2	0	0	111.5	W293 L294 Y342 R343 E344	W293-M321 HydrophobicContact CD2-CB 3.63Å; W293-M321 HydrophobicContact CD2-CG 4.24Å; W293-M321 VanDerWaalsContact CE2-CB 3.45Å; W293-M321 HydrophobicContact CE3-CB 4.31Å; W293-M321 HydrophobicContact CE3-CE 4.23Å; W293-M321 HydrophobicContact CG-CB 3.78Å; W293-M321 HydrophobicContact CG-CG 4.27Å; W293-M321 HydrophobicContact CH2-CE 4.34Å; W293-M321 HydrophobicContact CZ2-CB 3.99Å; W293-M321 HydrophobicContact CZ3-CE 4.08Å; L294-M321 PolarHBondContact O-N 2.76Å; M321-Y342 WeakPolarHBondContact O-CA 3.2Å; M321-R343 PolarHBondContact O-N 3.34Å; M321-R343 HydrophobicContact SD-CB 4.41Å; M321-E344 HydrophobicContact CE-CB 3.97Å; M321-E344 HydrophobicContact CE-CG 3.93Å
322	S	98.8	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147	168.7	55.1	0	0	0	0	112.9	W293 L294 H295 I296 W341	W293-S322 PolarHBondContact NE1-OG 3.09Å; L294-S322 PolarHBondContact O-N 3.05Å; H295-S322 WeakPolarHBondContact CA-O 3.2Å; H295-S322 PolarHBondContact ND1-OG 2.96Å; I296-S322 PolarHBondContact N-O 3.01Å; S322-W341 CarbonylContact C-O 3.54Å; S322-W341 WeakPolarHBondContact CA-O 3.31Å; S322-W341 VanDerWaalsContact CB-O 3.23Å; S322-W341 WeakPolarHBondContact CB-O 3.35Å
323	F	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.6	177.9	172.6	-92.6	0	0	0	109	L154 L156 F160 I296 A298 F305 M314 I317 F325 V340 W341	L154-F323 HydrophobicContact CD1-CE1 4.02Å; L156-F323 HydrophobicContact CD1-CD1 3.84Å; L156-F323 HydrophobicContact CD1-CE1 4.18Å; L156-F323 HydrophobicContact CD2-CD1 4.03Å; L156-F323 HydrophobicContact CD2-CE1 4.05Å; L156-F323 HydrophobicContact CD2-CG 4.32Å; L156-F323 HydrophobicContact CD2-CZ 4.33Å; F160-F323 HydrophobicContact CZ-CB 4.34Å; I296-F323 HydrophobicContact CB-CB 4.48Å; I296-F323 HydrophobicContact CB-CD2 3.81Å; I296-F323 HydrophobicContact CG2-CD2 3.72Å; I296-F323 HydrophobicContact CG2-CE2 4.08Å; A298-F323 HydrophobicContact CB-CE2 3.64Å; A298-F323 HydrophobicContact CB-CZ 3.79Å; F305-F323 HydrophobicContact CD2-CZ 4.25Å; F305-F323 HydrophobicContact CE2-CE2 4.43Å; F305-F323 HydrophobicContact CE2-CZ 4.37Å; M314-F323 HydrophobicContact SD-CE2 4.14Å; M314-F323 HydrophobicContact SD-CZ 4.27Å; I317-F323 HydrophobicContact CD1-CB 4.27Å; I317-F323 HydrophobicContact CD1-CD2 3.59Å; I317-F323 HydrophobicContact CD1-CE2 4.32Å; I317-F323 HydrophobicContact CD1-CG 4.22Å; F323-F325 HydrophobicContact CE1-CB 4.43Å; F323-F325 AromaticContact CE1-CD1 3.95Å; F323-F325 HydrophobicContact CE1-CD1 3.95Å; F323-V340 CarbonylContact O-C 3.52Å; F323-V340 VanDerWaalsContact O-CA 3.29Å; F323-V340 WeakPolarHBondContact O-CA 3.46Å; F323-W341 AromaticContact CD1-CE3 3.73Å; F323-W341 HydrophobicContact CD1-CE3 3.73Å; F323-W341 HydrophobicContact CD1-CZ3 4.01Å; F323-W341 HydrophobicContact CE1-CE3 4.35Å; F323-W341 HydrophobicContact CE1-CZ3 4.18Å; F323-W341 PolarHBondContact N-O 3.41Å; F323-W341 VanDerWaalsContact N-O 3.09Å; F323-W341 PolarHBondContact O-N 3.3Å
324	V	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.8	177.3	67.2	0	0	0	0	111.8	C174 I296 D297 A298 S338 I339 V340	C174-V324 HydrophobicContact CB-CG1 4.48Å; C174-V324 HydrophobicContact CB-CG2 4.4Å; C174-V324 WeakPolarHBondContact SG-CG2 3.46Å; I296-V324 PolarHBondContact O-N 3.14Å; D297-V324 HydrophobicContact CB-CG1 4.46Å; A298-V324 CarbonylContact C-O 3.47Å; A298-V324 WeakPolarHBondContact CA-O 3.32Å; A298-V324 WeakPolarHBondContact CB-O 3.28Å; A298-V324 PolarHBondContact N-O 3.33Å; V324-S338 WeakPolarHBondContact CG2-OG 3.46Å; V324-I339 VanDerWaalsContact CA-O 3.27Å; V324-I339 WeakPolarHBondContact CA-O 3.29Å; V324-I339 WeakPolarHBondContact CG2-O 3.32Å; V324-V340 HydrophobicContact CB-CB 4.07Å; V324-V340 HydrophobicContact CB-CG2 4.14Å; V324-V340 HydrophobicContact CG2-CB 3.97Å
325	F	98.7	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	167.8	161.7	86.9	-70.6	0	0	0	112.1	V150 L154 A298 F323 P327 L331 I339 W341	V150-F325 HydrophobicContact CG1-CE1 3.67Å; V150-F325 HydrophobicContact CG1-CZ 3.7Å; L154-F325 HydrophobicContact CD1-CD1 4.01Å; L154-F325 HydrophobicContact CD1-CE1 3.51Å; L154-F325 HydrophobicContact CD1-CZ 4.08Å; L154-F325 HydrophobicContact CD2-CZ 4.42Å; A298-F325 HydrophobicContact CB-CB 4.19Å; A298-F325 VanDerWaalsContact O-CB 3.23Å; A298-F325 WeakPolarHBondContact O-CB 3.46Å; F323-F325 HydrophobicContact CE1-CB 4.43Å; F323-F325 AromaticContact CE1-CD1 3.95Å; F323-F325 HydrophobicContact CE1-CD1 3.95Å; F325-P327 HydrophobicContact CE1-CG 4.28Å; F325-P327 HydrophobicContact CE2-CB 4.38Å; F325-P327 HydrophobicContact CE2-CG 3.77Å; F325-P327 HydrophobicContact CZ-CG 3.64Å; F325-P327 VanDerWaalsContact O-CD 3.27Å; F325-P327 WeakPolarHBondContact O-CD 3.4Å; F325-L331 HydrophobicContact CE2-CD1 3.68Å; F325-L331 HydrophobicContact CE2-CG 4.46Å; F325-L331 HydrophobicContact CZ-CD1 3.99Å; F325-I339 HydrophobicContact CE1-CB 4.48Å; F325-I339 HydrophobicContact CE1-CD1 4.4Å; F325-I339 PolarHBondContact N-O 3.15Å; F325-I339 PolarHBondContact O-N 3Å; F325-W341 HydrophobicContact CD1-CH2 4.14Å; F325-W341 AromaticContact CD1-CZ3 3.74Å; F325-W341 HydrophobicContact CD1-CZ3 3.74Å; F325-W341 AromaticContact CE1-CH2 3.62Å; F325-W341 HydrophobicContact CE1-CH2 3.62Å; F325-W341 AromaticContact CE1-CZ3 3.73Å; F325-W341 HydrophobicContact CE1-CZ3 3.73Å
326	N	98.7	Very high	98.5	Very high	2 Å²	2	22 Å²	22	1%	0.011	10%	0.101	C	C	.	.			trans	-109.4	102.3	179.4	-58.9	-53.2	0	0	0	111.8	C174 A299 H328 K329 S338	C174-N326 PolarHBondContact N-OD1 2.89Å; C174-N326 PolarHBondContact SG-ND2 3.26Å; C174-N326 PolarHBondContact SG-OD1 3.11Å; A299-N326 WeakPolarHBondContact CB-ND2 3.36Å; A299-N326 VanDerWaalsContact O-CB 3.31Å; A299-N326 WeakPolarHBondContact O-CB 3.43Å; A299-N326 PolarHBondContact O-N 2.76Å; A299-N326 PolarHBondContact O-ND2 3.18Å; N326-H328 WeakPolarHBondContact CB-NE2 3.46Å; N326-H328 VanDerWaalsContact CG-NE2 3.26Å; N326-H328 PolarHBondContact O-N 2.99Å; N326-H328 VanDerWaalsContact O-N 3.15Å; N326-H328 PolarHBondContact OD1-CE1 2.81Å; N326-H328 PolarHBondContact OD1-NE2 3.45Å; N326-K329 HydrophobicContact CB-CB 4.12Å; N326-K329 HydrophobicContact CB-CD 4.3Å; N326-K329 HydrophobicContact CB-CG 3.8Å; N326-K329 PolarHBondContact O-N 3.13Å; N326-S338 WeakPolarHBondContact OD1-CB 3.19Å; N326-S338 PolarHBondContact OD1-OG 3.32Å
327	P	98.5	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-52.9	-29.6	160	-22.8	28	0	0	0	112.6	F325 K329 L331 I333 C337 I339	F325-P327 HydrophobicContact CE1-CG 4.28Å; F325-P327 HydrophobicContact CE2-CB 4.38Å; F325-P327 HydrophobicContact CE2-CG 3.77Å; F325-P327 HydrophobicContact CZ-CG 3.64Å; F325-P327 VanDerWaalsContact O-CD 3.27Å; F325-P327 WeakPolarHBondContact O-CD 3.4Å; P327-K329 PolarHBondContact O-N 2.93Å; P327-L331 HydrophobicContact CB-CB 4.17Å; P327-L331 HydrophobicContact CB-CD1 4.19Å; P327-L331 PolarHBondContact O-N 3Å; P327-I333 HydrophobicContact CB-CB 4.32Å; P327-I333 HydrophobicContact CB-CD1 3.69Å; P327-I333 HydrophobicContact CB-CG1 4.28Å; P327-C337 WeakPolarHBondContact CD-O 3.49Å; P327-I339 HydrophobicContact CG-CD1 3.54Å; P327-I339 HydrophobicContact CG-CG1 3.84Å
328	H	98.5	Very high	98.5	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-69.4	-6.5	175.8	73.1	-120.6	0	0	0	115.4	G111 N326 I333 F335 C337	G111-H328 PolarHBondContact N-O 3.43Å; N326-H328 WeakPolarHBondContact CB-NE2 3.46Å; N326-H328 VanDerWaalsContact CG-NE2 3.26Å; N326-H328 PolarHBondContact O-N 2.99Å; N326-H328 VanDerWaalsContact O-N 3.15Å; N326-H328 PolarHBondContact OD1-CE1 2.81Å; N326-H328 PolarHBondContact OD1-NE2 3.45Å; H328-I333 WeakPolarHBondContact CA-O 3.47Å; H328-F335 HydrophobicContact CB-CB 4.39Å; H328-F335 HydrophobicContact CB-CD2 4.49Å; H328-F335 AromaticContact CD2-CD2 3.62Å; H328-F335 AromaticContact CE1-CD2 3.73Å; H328-F335 AromaticContact CE1-CE2 3.75Å; H328-F335 AromaticContact CG-CD2 3.77Å; H328-F335 AromaticContact ND1-CD2 3.85Å; H328-F335 AromaticContact NE2-CD2 3.64Å; H328-F335 AromaticContact NE2-CE2 3.82Å; H328-C337 HydrophobicContact CB-CB 4.12Å; H328-C337 PolarHBondContact N-O 2.92Å; H328-C337 PolarHBondContact ND1-N 3.12Å; H328-C337 VanDerWaalsContact ND1-N 3.12Å; H328-C337 PolarHBondContact ND1-O 2.92Å
329	K	98.7	Very high	98.5	Very high	44 Å²	44	16.7 Å²	16.7	19%	0.191	8%	0.075	C	C	.	.	H	α-helix	trans	-90.5	-60.3	171.2	-75.3	-169.2	-179.4	-176.9	0	110.6	F108 P109 G111 N326 P327	F108-K329 HydrophobicContact CB-CD 4.4Å; P109-K329 CarbonylContact C-O 3.54Å; P109-K329 WeakPolarHBondContact CB-O 3.42Å; P109-K329 CarbonylContact O-C 3.41Å; P109-K329 WeakPolarHBondContact O-CA 3.5Å; P109-K329 WeakPolarHBondContact O-CB 3.23Å; P109-K329 VanDerWaalsContact O-O 3.09Å; G111-K329 PolarHBondContact N-O 2.94Å; N326-K329 HydrophobicContact CB-CB 4.12Å; N326-K329 HydrophobicContact CB-CD 4.3Å; N326-K329 HydrophobicContact CB-CG 3.8Å; N326-K329 PolarHBondContact O-N 3.13Å; P327-K329 PolarHBondContact O-N 2.93Å
330	W	98.6	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-134.6	28.3	-163.9	-157.2	35.2	0	0	0	113.6	P109 Y300 Y401 I402 H405 I406 M430	P109-W330 HydrophobicContact CG-CB 4.12Å; P109-W330 HydrophobicContact CG-CG 3.98Å; Y300-W330 HydrophobicContact CD2-CB 4.14Å; Y300-W330 HydrophobicContact CD2-CD2 4.31Å; Y300-W330 HydrophobicContact CD2-CE3 4.13Å; Y300-W330 HydrophobicContact CD2-CG 4.34Å; Y300-W330 HydrophobicContact CE1-CE3 4.35Å; Y300-W330 HydrophobicContact CE1-CZ3 4.22Å; Y300-W330 HydrophobicContact CE2-CB 4.03Å; Y300-W330 AromaticContact CE2-CD2 3.49Å; Y300-W330 HydrophobicContact CE2-CD2 3.49Å; Y300-W330 VanDerWaalsContact CE2-CD2 3.49Å; Y300-W330 AromaticContact CE2-CE3 3.5Å; Y300-W330 HydrophobicContact CE2-CE3 3.5Å; Y300-W330 AromaticContact CE2-CG 3.74Å; Y300-W330 HydrophobicContact CE2-CG 3.74Å; Y300-W330 HydrophobicContact CE2-CZ3 4.1Å; Y300-W330 AromaticContact CZ-CD2 3.9Å; Y300-W330 AromaticContact CZ-CE3 3.64Å; Y300-W330 AromaticContact CZ-CZ3 3.72Å; Y300-W330 WeakPolarHBondContact OH-CH2 3.33Å; Y300-W330 WeakPolarHBondContact OH-CZ2 3.46Å; W330-Y401 AromaticContact CD1-CE1 3.75Å; W330-Y401 AromaticContact CD1-CZ 3.94Å; W330-Y401 HydrophobicContact CG-CE1 4.44Å; W330-Y401 WeakPolarHBondContact O-CE1 3.41Å; W330-I402 HydrophobicContact CD2-CD1 3.45Å; W330-I402 VanDerWaalsContact CD2-CD1 3.45Å; W330-I402 HydrophobicContact CE3-CD1 3.68Å; W330-I402 HydrophobicContact CG-CD1 3.86Å; W330-I402 HydrophobicContact CH2-CD1 4.38Å; W330-I402 HydrophobicContact CH2-CG2 4.09Å; W330-I402 HydrophobicContact CZ2-CD1 4.19Å; W330-I402 HydrophobicContact CZ2-CG2 4.41Å; W330-I402 HydrophobicContact CZ3-CD1 4.14Å; W330-I402 HydrophobicContact CZ3-CG2 4.36Å; W330-I402 WeakPolarHBondContact O-CD1 3.47Å; W330-H405 AromaticContact CD1-ND1 3.88Å; W330-H405 HydrophobicContact CZ2-CB 3.52Å; W330-H405 AromaticContact NE1-CE1 3.83Å; W330-H405 AromaticContact NE1-CG 3.43Å; W330-H405 AromaticContact NE1-ND1 3.06Å; W330-H405 PolarHBondContact NE1-ND1 3.38Å; W330-I406 HydrophobicContact CH2-CD1 3.85Å; W330-I406 HydrophobicContact CH2-CG1 3.59Å; W330-I406 HydrophobicContact CZ2-CG1 4.03Å; W330-M430 HydrophobicContact CH2-CB 4.26Å; W330-M430 HydrophobicContact CH2-SD 4.23Å; W330-M430 HydrophobicContact CZ3-CB 4.4Å; W330-M430 HydrophobicContact CZ3-SD 4.04Å
331	L	98.2	Very high	98.6	Very high	8 Å²	8	13 Å²	13	4%	0.042	6%	0.061	C	C	.	.	S	Bend	trans	-126.1	24.8	170	-71.4	-177.2	0	0	0	114.1	I306 F325 P327 I333 I402	I306-L331 HydrophobicContact CD1-CD2 3.73Å; I306-L331 HydrophobicContact CG2-CD1 4.5Å; I306-L331 HydrophobicContact CG2-CD2 4.43Å; F325-L331 HydrophobicContact CE2-CD1 3.68Å; F325-L331 HydrophobicContact CE2-CG 4.46Å; F325-L331 HydrophobicContact CZ-CD1 3.99Å; P327-L331 HydrophobicContact CB-CB 4.17Å; P327-L331 HydrophobicContact CB-CD1 4.19Å; P327-L331 PolarHBondContact O-N 3Å; L331-I333 PolarHBondContact O-N 3.17Å; L331-I402 HydrophobicContact CD2-CD1 4.42Å
332	L	98.3	Very high	98.6	Very high	17 Å²	17	12.2 Å²	12.2	9%	0.089	6%	0.057	C	C	.	.	S	Bend	trans	61.8	25.5	175.8	-56.8	173.2	0	0	0	114.6	S113 L398 Y401 H480	S113-L332 WeakPolarHBondContact CB-O 3.46Å; S113-L332 PolarHBondContact OG-O 3.14Å; L332-L398 HydrophobicContact CD1-CD2 4.3Å; L332-Y401 HydrophobicContact CD1-CD1 4.4Å; L332-Y401 HydrophobicContact CD1-CD2 4.06Å; L332-Y401 HydrophobicContact CD1-CE2 4.3Å; L332-Y401 HydrophobicContact CD1-CG 4.1Å; L332-Y401 HydrophobicContact CD2-CD2 4.17Å; L332-Y401 HydrophobicContact CD2-CE1 4.24Å; L332-Y401 HydrophobicContact CD2-CE2 3.56Å; L332-Y401 HydrophobicContact CG-CD1 4.26Å; L332-Y401 HydrophobicContact CG-CD2 4.28Å; L332-Y401 HydrophobicContact CG-CE1 4.05Å; L332-Y401 HydrophobicContact CG-CE2 4.05Å; L332-Y401 HydrophobicContact CG-CG 4.37Å; L332-H480 HydrophobicContact CD2-CB 3.78Å
333	I	98.5	Very high	98.5	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-102.7	132.9	175.2	-60.5	-171.2	0	0	0	108.7	G111 P327 H328 L331 C337 K385 L386 T389	G111-I333 CarbonylContact C-O 3.53Å; G111-I333 WeakPolarHBondContact CA-O 3.23Å; G111-I333 CarbonylContact O-C 3.6Å; G111-I333 VanDerWaalsContact O-O 3.06Å; P327-I333 HydrophobicContact CB-CB 4.32Å; P327-I333 HydrophobicContact CB-CD1 3.69Å; P327-I333 HydrophobicContact CB-CG1 4.28Å; H328-I333 WeakPolarHBondContact CA-O 3.47Å; L331-I333 PolarHBondContact O-N 3.17Å; I333-C337 HydrophobicContact CG2-CB 3.75Å; I333-K385 HydrophobicContact CG2-CB 4.33Å; I333-K385 HydrophobicContact CG2-CD 3.65Å; I333-K385 HydrophobicContact CG2-CG 3.87Å; I333-L386 HydrophobicContact CD1-CB 4.14Å; I333-L386 HydrophobicContact CD1-CD1 3.4Å; I333-L386 HydrophobicContact CD1-CG 4.38Å; I333-T389 HydrophobicContact CD1-CG2 4.3Å; I333-T389 HydrophobicContact CG1-CG2 3.83Å
334	N	98.1	Very high	98.3	Very high	32 Å²	32	19.3 Å²	19.3	17%	0.171	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-67.4	141.9	178	-70.8	50.7	0	0	0	111.1	G111 C112 S113 S116 K385	G111-N334 WeakPolarHBondContact O-CA 3.4Å; C112-N334 WeakPolarHBondContact CA-OD1 3.21Å; S113-N334 PolarHBondContact N-OD1 3.08Å; S113-N334 VanDerWaalsContact N-OD1 3.1Å; S116-N334 VanDerWaalsContact CB-OD1 3.24Å; S116-N334 WeakPolarHBondContact CB-OD1 3.26Å; S116-N334 WeakPolarHBondContact OG-CB 3.39Å; S116-N334 PolarHBondContact OG-N 3.2Å; S116-N334 PolarHBondContact OG-OD1 3.23Å; N334-K385 WeakPolarHBondContact O-CE 3.39Å; N334-K385 PolarHBondContact O-NZ 3.18Å
335	F	98.4	Very high	98.2	Very high	121 Å²	121	19.4 Å²	19.4	53%	0.531	9%	0.087	S	C	.	.	S	Bend	trans	-57.5	137.1	170.6	-174.8	-88.5	0	0	0	110.6	H328	H328-F335 HydrophobicContact CB-CB 4.39Å; H328-F335 HydrophobicContact CB-CD2 4.49Å; H328-F335 AromaticContact CD2-CD2 3.62Å; H328-F335 AromaticContact CE1-CD2 3.73Å; H328-F335 AromaticContact CE1-CE2 3.75Å; H328-F335 AromaticContact CG-CD2 3.77Å; H328-F335 AromaticContact ND1-CD2 3.85Å; H328-F335 AromaticContact NE2-CD2 3.64Å; H328-F335 AromaticContact NE2-CE2 3.82Å
336	D	98	Very high	98	Very high	18 Å²	18	22.5 Å²	22.5	10%	0.096	10%	0.104	C	C	.	.	S	Bend	cis	-97.2	136.2	4.2	59.3	-38.5	0	0	0	113.6	G172 K380 R382 K385	G172-D336 WeakPolarHBondContact O-CB 3.23Å; D336-K380 WeakPolarHBondContact OD1-CE 3.49Å; D336-K380 IonicContact OD1-NZ 2.95Å; D336-K380 PolarHBondContact OD1-NZ 2.98Å; D336-R382 IonicContact OD1-NE 3.22Å; D336-R382 IonicContact OD2-CZ 2.9Å; D336-R382 VanDerWaalsContact OD2-CZ 3.29Å; D336-R382 IonicContact OD2-NE 2.81Å; D336-R382 PolarHBondContact OD2-NE 2.93Å; D336-R382 IonicContact OD2-NH2 3.82Å; D336-R382 PolarHBondContact OD2-NH2 3.08Å; D336-K385 WeakPolarHBondContact O-CE 3.4Å; D336-K385 PolarHBondContact O-NZ 2.84Å; D336-K385 IonicContact OD1-NZ 3.48Å
337	C	98.6	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.			trans	-164.5	87.3	172.3	-169.4	0	0	0	0	110.5	P327 H328 I333	P327-C337 WeakPolarHBondContact CD-O 3.49Å; H328-C337 HydrophobicContact CB-CB 4.12Å; H328-C337 PolarHBondContact N-O 2.92Å; H328-C337 PolarHBondContact ND1-N 3.12Å; H328-C337 VanDerWaalsContact ND1-N 3.12Å; H328-C337 PolarHBondContact ND1-O 2.92Å; I333-C337 HydrophobicContact CG2-CB 3.75Å
338	S	98.7	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.3	173.8	175.7	0	0	0	0	108.6	I170 Q171 S173 C174 S177 V324 N326	I170-S338 CarbonylContact C-O 3.58Å; I170-S338 VanDerWaalsContact CA-O 3.29Å; I170-S338 WeakPolarHBondContact CA-O 3.36Å; Q171-S338 PolarHBondContact N-O 2.89Å; Q171-S338 PolarHBondContact O-N 3.47Å; S173-S338 PolarHBondContact O-OG 3.31Å; C174-S338 PolarHBondContact N-OG 3.1Å; S177-S338 PolarHBondContact OG-OG 3.5Å; V324-S338 WeakPolarHBondContact CG2-OG 3.46Å; N326-S338 WeakPolarHBondContact OD1-CB 3.19Å; N326-S338 PolarHBondContact OD1-OG 3.32Å
339	I	98.7	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124	-179.9	-50.1	175.3	0	0	0	109.6	I147 V150 I170 V324 F325 P327 W341 L386	I147-I339 HydrophobicContact CD1-CB 4.44Å; I147-I339 HydrophobicContact CD1-CG2 3.21Å; V150-I339 HydrophobicContact CB-CD1 4.25Å; V150-I339 HydrophobicContact CG1-CD1 4.05Å; V150-I339 HydrophobicContact CG2-CD1 4.03Å; I170-I339 HydrophobicContact CG1-CG1 4.4Å; V324-I339 VanDerWaalsContact CA-O 3.27Å; V324-I339 WeakPolarHBondContact CA-O 3.29Å; V324-I339 WeakPolarHBondContact CG2-O 3.32Å; F325-I339 HydrophobicContact CE1-CB 4.48Å; F325-I339 HydrophobicContact CE1-CD1 4.4Å; F325-I339 PolarHBondContact N-O 3.15Å; F325-I339 PolarHBondContact O-N 3Å; P327-I339 HydrophobicContact CG-CD1 3.54Å; P327-I339 HydrophobicContact CG-CG1 3.84Å; I339-W341 HydrophobicContact CB-CE3 4.44Å; I339-W341 HydrophobicContact CB-CH2 3.52Å; I339-W341 HydrophobicContact CB-CZ2 4.32Å; I339-W341 HydrophobicContact CB-CZ3 3.6Å; I339-W341 HydrophobicContact CD1-CH2 4.04Å; I339-W341 HydrophobicContact CG1-CH2 4.4Å; I339-W341 HydrophobicContact CG2-CD2 4.1Å; I339-W341 HydrophobicContact CG2-CE3 3.85Å; I339-W341 HydrophobicContact CG2-CH2 3.09Å; I339-W341 HydrophobicContact CG2-CZ2 3.43Å; I339-W341 VanDerWaalsContact CG2-CZ2 3.43Å; I339-W341 HydrophobicContact CG2-CZ3 3.34Å; I339-W341 WeakPolarHBondContact O-CZ3 3.43Å; I339-L386 HydrophobicContact CD1-CD2 3.74Å
340	V	98.8	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.1	173.4	60.7	0	0	0	0	110.6	G168 V169 Q171 F323 V324 Y342	G168-V340 CarbonylContact C-O 3.55Å; G168-V340 WeakPolarHBondContact CA-O 3.49Å; V169-V340 HydrophobicContact CG1-CG1 3.67Å; V169-V340 PolarHBondContact N-O 2.97Å; V169-V340 PolarHBondContact O-N 3.33Å; V169-V340 VanDerWaalsContact O-N 3.14Å; Q171-V340 HydrophobicContact CG-CG1 3.76Å; F323-V340 CarbonylContact O-C 3.52Å; F323-V340 VanDerWaalsContact O-CA 3.29Å; F323-V340 WeakPolarHBondContact O-CA 3.46Å; V324-V340 HydrophobicContact CB-CB 4.07Å; V324-V340 HydrophobicContact CB-CG2 4.14Å; V324-V340 HydrophobicContact CG2-CB 3.97Å; V340-Y342 HydrophobicContact CB-CE2 4.45Å; V340-Y342 HydrophobicContact CG1-CE2 3.73Å; V340-Y342 WeakPolarHBondContact CG1-OH 3.38Å; V340-Y342 HydrophobicContact CG2-CE1 3.91Å; V340-Y342 HydrophobicContact CG2-CE2 3.99Å
341	W	98.8	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	151.9	171.2	-67.5	-95	0	0	0	111	I147 V150 A151 L154 L156 F160 G167 S322 F323 F325 I339	I147-W341 HydrophobicContact CG2-CZ2 4.39Å; I147-W341 WeakPolarHBondContact O-CZ2 3.45Å; I147-W341 PolarHBondContact O-NE1 2.82Å; V150-W341 HydrophobicContact CB-CH2 4.13Å; V150-W341 HydrophobicContact CB-CZ2 3.94Å; V150-W341 HydrophobicContact CG1-CH2 3.55Å; V150-W341 HydrophobicContact CG1-CZ2 3.85Å; A151-W341 HydrophobicContact CB-CZ2 4.22Å; L154-W341 HydrophobicContact CD1-CH2 4.14Å; L154-W341 HydrophobicContact CD1-CZ3 4.37Å; L156-W341 HydrophobicContact CD1-CD2 3.78Å; L156-W341 HydrophobicContact CD1-CE3 3.91Å; L156-W341 HydrophobicContact CD1-CG 4.22Å; L156-W341 HydrophobicContact CD1-CZ2 4.45Å; L156-W341 HydrophobicContact CD1-CZ3 4.32Å; F160-W341 HydrophobicContact CB-CB 3.98Å; F160-W341 HydrophobicContact CB-CG 4.14Å; F160-W341 HydrophobicContact CD1-CB 3.44Å; F160-W341 VanDerWaalsContact CD1-CB 3.44Å; F160-W341 HydrophobicContact CD1-CG 4.45Å; F160-W341 HydrophobicContact CE1-CB 4.12Å; F160-W341 HydrophobicContact CG-CB 3.9Å; F160-W341 VanDerWaalsContact O-CD1 3.23Å; G167-W341 CarbonylContact O-C 3.43Å; G167-W341 WeakPolarHBondContact O-CA 3.21Å; S322-W341 CarbonylContact C-O 3.54Å; S322-W341 WeakPolarHBondContact CA-O 3.31Å; S322-W341 VanDerWaalsContact CB-O 3.23Å; S322-W341 WeakPolarHBondContact CB-O 3.35Å; F323-W341 AromaticContact CD1-CE3 3.73Å; F323-W341 HydrophobicContact CD1-CE3 3.73Å; F323-W341 HydrophobicContact CD1-CZ3 4.01Å; F323-W341 HydrophobicContact CE1-CE3 4.35Å; F323-W341 HydrophobicContact CE1-CZ3 4.18Å; F323-W341 PolarHBondContact N-O 3.41Å; F323-W341 VanDerWaalsContact N-O 3.09Å; F323-W341 PolarHBondContact O-N 3.3Å; F325-W341 HydrophobicContact CD1-CH2 4.14Å; F325-W341 AromaticContact CD1-CZ3 3.74Å; F325-W341 HydrophobicContact CD1-CZ3 3.74Å; F325-W341 AromaticContact CE1-CH2 3.62Å; F325-W341 HydrophobicContact CE1-CH2 3.62Å; F325-W341 AromaticContact CE1-CZ3 3.73Å; F325-W341 HydrophobicContact CE1-CZ3 3.73Å; I339-W341 HydrophobicContact CB-CE3 4.44Å; I339-W341 HydrophobicContact CB-CH2 3.52Å; I339-W341 HydrophobicContact CB-CZ2 4.32Å; I339-W341 HydrophobicContact CB-CZ3 3.6Å; I339-W341 HydrophobicContact CD1-CH2 4.04Å; I339-W341 HydrophobicContact CG1-CH2 4.4Å; I339-W341 HydrophobicContact CG2-CD2 4.1Å; I339-W341 HydrophobicContact CG2-CE3 3.85Å; I339-W341 HydrophobicContact CG2-CH2 3.09Å; I339-W341 HydrophobicContact CG2-CZ2 3.43Å; I339-W341 VanDerWaalsContact CG2-CZ2 3.43Å; I339-W341 HydrophobicContact CG2-CZ3 3.34Å; I339-W341 WeakPolarHBondContact O-CZ3 3.43Å
342	Y	98.3	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.1	177.8	-56.5	-79.4	0	0	0	109.6	G167 V169 V180 A181 W293 M321 V340 E344 V348 M373	G167-Y342 PolarHBondContact N-O 3.4Å; G167-Y342 PolarHBondContact O-N 3.37Å; V169-Y342 HydrophobicContact CG1-CE2 4.19Å; V180-Y342 VanDerWaalsContact CG1-OH 3.25Å; V180-Y342 WeakPolarHBondContact CG1-OH 3.4Å; A181-Y342 HydrophobicContact CB-CE1 4.22Å; W293-Y342 HydrophobicContact CZ2-CD1 4.03Å; M321-Y342 WeakPolarHBondContact O-CA 3.2Å; V340-Y342 HydrophobicContact CB-CE2 4.45Å; V340-Y342 HydrophobicContact CG1-CE2 3.73Å; V340-Y342 WeakPolarHBondContact CG1-OH 3.38Å; V340-Y342 HydrophobicContact CG2-CE1 3.91Å; V340-Y342 HydrophobicContact CG2-CE2 3.99Å; Y342-E344 VanDerWaalsContact C-N 3.28Å; Y342-V348 HydrophobicContact CD1-CG2 3.46Å; Y342-V348 VanDerWaalsContact CD1-CG2 3.46Å; Y342-V348 HydrophobicContact CD2-CG2 4.04Å; Y342-V348 HydrophobicContact CE1-CG2 3.57Å; Y342-V348 HydrophobicContact CE2-CG1 4.37Å; Y342-V348 HydrophobicContact CE2-CG2 4.12Å; Y342-V348 HydrophobicContact CG-CG2 3.7Å; Y342-M373 HydrophobicContact CD2-CE 3.65Å; Y342-M373 HydrophobicContact CE2-CE 3.93Å
343	R	97.1	Very high	96.6	Very high	94 Å²	94	35.7 Å²	35.7	36%	0.355	17%	0.166	S	C	.	.	S	Bend	trans	-66.6	-34.1	171.5	-179.1	174.6	174.8	-176.9	-2.3	111.7	H159 F160 N165 M321	H159-R343 HydrophobicContact CB-CG 4.23Å; F160-R343 HydrophobicContact CE1-CB 4.22Å; N165-R343 VanDerWaalsContact O-O 3.12Å; M321-R343 PolarHBondContact O-N 3.34Å; M321-R343 HydrophobicContact SD-CB 4.41Å
344	E	95.6	Very high	96.1	Very high	55 Å²	55	40.8 Å²	40.8	26%	0.257	20%	0.197	S	C	.	.			trans	-131.6	84.9	179.8	-67.7	-176.6	-138.6	0	0	111.2	N165 M321 Y342 N346 W347	N165-E344 CarbonylContact O-C 3.13Å; N165-E344 WeakPolarHBondContact O-CA 3.49Å; M321-E344 HydrophobicContact CE-CB 3.97Å; M321-E344 HydrophobicContact CE-CG 3.93Å; Y342-E344 VanDerWaalsContact C-N 3.28Å; E344-N346 PolarHBondContact O-N 3.3Å; E344-W347 PolarHBondContact O-N 3.01Å; E344-W347 PolarHBondContact OE2-NE1 3.48Å
345	V	95.4	Very high	95.7	Very high	2 Å²	2	41 Å²	41	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-25.8	-177.2	-59	0	0	0	0	112.9	N165 W347 V348 K349 M373	N165-V345 WeakPolarHBondContact O-CG2 3.4Å; N165-V345 PolarHBondContact O-N 2.99Å; N165-V345 PolarHBondContact OD1-N 3.49Å; V345-W347 VanDerWaalsContact C-N 3.27Å; V345-W347 PolarHBondContact O-N 3.38Å; V345-V348 WeakPolarHBondContact O-CA 3.39Å; V345-V348 WeakPolarHBondContact O-CB 3.47Å; V345-V348 PolarHBondContact O-N 2.91Å; V345-K349 HydrophobicContact CG2-CD 4.19Å; V345-K349 WeakPolarHBondContact O-CG 3.46Å; V345-K349 PolarHBondContact O-N 3.35Å; V345-M373 HydrophobicContact CB-CE 4.31Å; V345-M373 HydrophobicContact CG1-CE 3.95Å
346	N	94.9	Very high	95.4	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.353	18%	0.181	S	C	.	.	H	α-helix	trans	-63.8	-30.8	-178.4	-75.3	-21.6	0	0	0	112.8	N165 E344 V348 N350	N165-N346 WeakPolarHBondContact OD1-CB 3.25Å; N165-N346 PolarHBondContact OD1-N 3.22Å; N165-N346 PolarHBondContact OD1-ND2 3.34Å; E344-N346 PolarHBondContact O-N 3.3Å; N346-V348 VanDerWaalsContact C-N 3.29Å; N346-V348 PolarHBondContact O-N 3.08Å; N346-N350 WeakPolarHBondContact O-CB 3.42Å; N346-N350 PolarHBondContact O-N 2.98Å; N346-N350 PolarHBondContact O-ND2 2.88Å
347	W	96.1	Very high	95.1	Very high	56 Å²	56	40.8 Å²	40.8	21%	0.212	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-37	172.9	-70.8	114.3	0	0	0	112.1	K188 W293 E344 V345 S351	K188-W347 HydrophobicContact CB-CD2 3.8Å; K188-W347 HydrophobicContact CB-CE3 3.59Å; K188-W347 HydrophobicContact CB-CG 4.35Å; K188-W347 HydrophobicContact CB-CH2 4.4Å; K188-W347 HydrophobicContact CB-CZ3 3.9Å; K188-W347 HydrophobicContact CD-CD2 3.95Å; K188-W347 HydrophobicContact CD-CG 4.15Å; K188-W347 HydrophobicContact CD-CZ2 4.23Å; K188-W347 HydrophobicContact CG-CD2 3.8Å; K188-W347 HydrophobicContact CG-CE3 3.92Å; K188-W347 HydrophobicContact CG-CG 4.45Å; K188-W347 HydrophobicContact CG-CH2 3.97Å; K188-W347 HydrophobicContact CG-CZ2 3.86Å; K188-W347 HydrophobicContact CG-CZ3 3.99Å; W293-W347 HydrophobicContact CH2-CB 4.1Å; W293-W347 HydrophobicContact CZ3-CB 3.81Å; W293-W347 HydrophobicContact CZ3-CG 4.14Å; E344-W347 PolarHBondContact O-N 3.01Å; E344-W347 PolarHBondContact OE2-NE1 3.48Å; V345-W347 VanDerWaalsContact C-N 3.27Å; V345-W347 PolarHBondContact O-N 3.38Å; W347-S351 WeakPolarHBondContact O-CB 3.35Å; W347-S351 PolarHBondContact O-N 2.99Å; W347-S351 PolarHBondContact O-OG 3.1Å
348	V	97.1	Very high	94.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-55.7	175.3	-169.7	0	0	0	0	109.5	V180 A184 W293 Y342 V345 N346 N350 S351 F352 H372 M373	V180-V348 HydrophobicContact CG1-CG1 3.65Å; A184-V348 HydrophobicContact CB-CB 4.4Å; A184-V348 HydrophobicContact CB-CG2 3.95Å; W293-V348 HydrophobicContact CH2-CG2 4.47Å; Y342-V348 HydrophobicContact CD1-CG2 3.46Å; Y342-V348 VanDerWaalsContact CD1-CG2 3.46Å; Y342-V348 HydrophobicContact CD2-CG2 4.04Å; Y342-V348 HydrophobicContact CE1-CG2 3.57Å; Y342-V348 HydrophobicContact CE2-CG1 4.37Å; Y342-V348 HydrophobicContact CE2-CG2 4.12Å; Y342-V348 HydrophobicContact CG-CG2 3.7Å; V345-V348 WeakPolarHBondContact O-CA 3.39Å; V345-V348 WeakPolarHBondContact O-CB 3.47Å; V345-V348 PolarHBondContact O-N 2.91Å; N346-V348 VanDerWaalsContact C-N 3.29Å; N346-V348 PolarHBondContact O-N 3.08Å; V348-N350 VanDerWaalsContact C-N 3.32Å; V348-N350 PolarHBondContact O-N 3.23Å; V348-S351 WeakPolarHBondContact O-CA 3.38Å; V348-S351 VanDerWaalsContact O-CB 3.31Å; V348-S351 WeakPolarHBondContact O-CB 3.45Å; V348-S351 PolarHBondContact O-N 2.73Å; V348-F352 HydrophobicContact CG1-CD2 4.18Å; V348-F352 HydrophobicContact CG1-CE2 4.15Å; V348-F352 VanDerWaalsContact O-CD2 3.29Å; V348-F352 WeakPolarHBondContact O-CD2 3.44Å; V348-F352 PolarHBondContact O-N 3.35Å; V348-H372 CarbonylContact C-O 3.59Å; V348-M373 HydrophobicContact CG1-CB 4.37Å; V348-M373 HydrophobicContact CG1-CG 4.47Å
349	K	94.8	Very high	94.4	Very high	47 Å²	47	50.2 Å²	50.2	20%	0.204	25%	0.248	C	C	.	.	H	α-helix	trans	-51.1	-49.4	-179.5	-70.1	176.4	-177.8	174.3	0	112.4	V345 S351 F352 H353 H372 M373	V345-K349 HydrophobicContact CG2-CD 4.19Å; V345-K349 WeakPolarHBondContact O-CG 3.46Å; V345-K349 PolarHBondContact O-N 3.35Å; K349-S351 PolarHBondContact O-N 3.14Å; K349-F352 PolarHBondContact O-N 3.01Å; K349-H353 WeakPolarHBondContact O-CB 3.48Å; K349-H353 PolarHBondContact O-N 2.95Å; K349-H353 VanDerWaalsContact O-N 3.09Å; K349-H372 VanDerWaalsContact CA-O 3.25Å; K349-H372 WeakPolarHBondContact CA-O 3.42Å; K349-H372 HydrophobicContact CB-CB 4.21Å; K349-H372 HydrophobicContact CG-CB 4.24Å; K349-M373 HydrophobicContact CG-CG 3.99Å
350	N	93.7	Very high	94	Very high	81 Å²	81	56 Å²	56	43%	0.433	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-22.6	-179.3	-69.7	-30.8	0	0	0	113.4	N346 V348	N346-N350 WeakPolarHBondContact O-CB 3.42Å; N346-N350 PolarHBondContact O-N 2.98Å; N346-N350 PolarHBondContact O-ND2 2.88Å; V348-N350 VanDerWaalsContact C-N 3.32Å; V348-N350 PolarHBondContact O-N 3.23Å
351	S	94.6	Very high	93.7	Very high	26 Å²	26	57.1 Å²	57.1	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-77.4	-24.7	-179.9	-68.1	0	0	0	0	113.4	N187 W347 V348 K349	N187-S351 WeakPolarHBondContact CB-OG 3.35Å; N187-S351 WeakPolarHBondContact ND2-CA 3.45Å; N187-S351 WeakPolarHBondContact ND2-CB 3.39Å; N187-S351 PolarHBondContact ND2-OG 2.91Å; W347-S351 WeakPolarHBondContact O-CB 3.35Å; W347-S351 PolarHBondContact O-N 2.99Å; W347-S351 PolarHBondContact O-OG 3.1Å; V348-S351 WeakPolarHBondContact O-CA 3.38Å; V348-S351 VanDerWaalsContact O-CB 3.31Å; V348-S351 WeakPolarHBondContact O-CB 3.45Å; V348-S351 PolarHBondContact O-N 2.73Å; K349-S351 PolarHBondContact O-N 3.14Å
352	F	93.1	Very high	93.3	Very high	43 Å²	43	66.1 Å²	66.1	19%	0.189	32%	0.318	C	S	.	.	S	Bend	trans	-117.8	10.3	-179	-58.4	-81.5	0	0	0	112.7	V180 L183 V348 K349 V354 I375	V180-F352 HydrophobicContact CB-CE2 4.43Å; V180-F352 HydrophobicContact CB-CZ 4.33Å; V180-F352 HydrophobicContact CG1-CE2 3.71Å; V180-F352 HydrophobicContact CG1-CZ 4.09Å; V180-F352 HydrophobicContact CG2-CZ 4.18Å; L183-F352 HydrophobicContact CB-CZ 3.96Å; L183-F352 HydrophobicContact CD1-CE1 3.99Å; L183-F352 HydrophobicContact CD1-CZ 3.9Å; V348-F352 HydrophobicContact CG1-CD2 4.18Å; V348-F352 HydrophobicContact CG1-CE2 4.15Å; V348-F352 VanDerWaalsContact O-CD2 3.29Å; V348-F352 WeakPolarHBondContact O-CD2 3.44Å; V348-F352 PolarHBondContact O-N 3.35Å; K349-F352 PolarHBondContact O-N 3.01Å; F352-V354 PolarHBondContact O-N 3.24Å; F352-I375 HydrophobicContact CE1-CG1 4.25Å
353	H	91.7	Very high	92.8	Very high	106 Å²	106	68.7 Å²	68.7	49%	0.491	33%	0.33	S	S	.	.			trans	-68.2	107.5	-174.5	-172.8	73.3	0	0	0	112.1	K349 H372	K349-H353 WeakPolarHBondContact O-CB 3.48Å; K349-H353 PolarHBondContact O-N 2.95Å; K349-H353 VanDerWaalsContact O-N 3.09Å; H353-H372 AromaticContact ND1-CE1 3.42Å; H353-H372 PolarHBondContact ND1-CE1 2.91Å; H353-H372 AromaticContact ND1-ND1 3.76Å; H353-H372 AromaticContact ND1-NE2 3.65Å
354	V	88.7	Confident	92.2	Very high	109 Å²	109	66.6 Å²	66.6	66%	0.661	32%	0.324	S	S	*	.			trans	-133.8	115.6	168.3	-175	0	0	0	0	107.4	F352 P356	F352-V354 PolarHBondContact O-N 3.24Å; V354-P356 VanDerWaalsContact C-CD 3.47Å; V354-P356 WeakPolarHBondContact O-CD 3.4Å
355	D	89.2	Confident	91.5	Very high	37 Å²	37	72.7 Å²	72.7	20%	0.198	35%	0.352	C	S	.	.			trans	-125.5	68.9	-169	-158.4	51.3	0	0	0	113.5	K360 Q364 R371	D355-K360 WeakPolarHBondContact O-CE 3.49Å; D355-K360 VanDerWaalsContact OD2-CE 3.23Å; D355-K360 WeakPolarHBondContact OD2-CE 3.49Å; D355-K360 WeakPolarHBondContact OD2-CG 3.22Å; D355-Q364 PolarHBondContact OD1-NE2 3Å; D355-Q364 PolarHBondContact OD2-NE2 3.15Å; D355-R371 IonicContact OD1-CZ 3.92Å; D355-R371 IonicContact OD1-NH2 3.19Å; D355-R371 PolarHBondContact OD1-NH2 3.08Å
356	P	91.7	Very high	91	Very high	26 Å²	26	78 Å²	78	17%	0.169	39%	0.385	C	S	.	.			trans	-66.1	153.7	177.5	30.6	-36.3	0	0	0	111.2	V354 Y358 L359	V354-P356 VanDerWaalsContact C-CD 3.47Å; V354-P356 WeakPolarHBondContact O-CD 3.4Å; P356-Y358 HydrophobicContact CB-CD1 4.01Å; P356-Y358 HydrophobicContact CB-CE1 3.52Å; P356-Y358 HydrophobicContact CB-CE2 4.25Å; P356-Y358 HydrophobicContact CG-CD1 4.39Å; P356-Y358 HydrophobicContact CG-CD2 4.23Å; P356-Y358 HydrophobicContact CG-CE1 3.81Å; P356-Y358 HydrophobicContact CG-CE2 3.61Å; P356-Y358 WeakPolarHBondContact CG-OH 3.27Å; P356-Y358 PolarHBondContact O-N 2.91Å; P356-L359 HydrophobicContact CG-CB 4.36Å; P356-L359 HydrophobicContact CG-CD1 3.77Å; P356-L359 HydrophobicContact CG-CG 3.89Å; P356-L359 PolarHBondContact O-N 3.12Å
357	P	92.3	Very high	90.5	Very high	109 Å²	109	76.4 Å²	76.4	71%	0.708	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-53.1	-33.9	-174.4	-28.9	35.6	0	0	0	115.5	L359 K360	P357-L359 VanDerWaalsContact C-N 3.26Å; P357-L359 PolarHBondContact O-N 3.24Å; P357-K360 PolarHBondContact O-N 2.91Å
358	Y	90.7	Very high	90.1	Very high	185 Å²	185	74.5 Å²	74.5	73%	0.725	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-74.4	-9.5	-178.3	57.6	-103.3	0	0	0	114.5	P356	P356-Y358 HydrophobicContact CB-CD1 4.01Å; P356-Y358 HydrophobicContact CB-CE1 3.52Å; P356-Y358 HydrophobicContact CB-CE2 4.25Å; P356-Y358 HydrophobicContact CG-CD1 4.39Å; P356-Y358 HydrophobicContact CG-CD2 4.23Å; P356-Y358 HydrophobicContact CG-CE1 3.81Å; P356-Y358 HydrophobicContact CG-CE2 3.61Å; P356-Y358 WeakPolarHBondContact CG-OH 3.27Å; P356-Y358 PolarHBondContact O-N 2.91Å
359	L	92.2	Very high	89.9	Confident	13 Å²	13	75 Å²	75	7%	0.068	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-100.3	-7.9	173.4	-62.5	-177.1	0	0	0	113.1	F131 T132 P356 P357 L377	F131-L359 HydrophobicContact CD2-CD2 3.71Å; F131-L359 HydrophobicContact CE2-CD2 3.55Å; F131-L359 HydrophobicContact CZ-CD2 4.43Å; T132-L359 HydrophobicContact CG2-CB 4.35Å; T132-L359 VanDerWaalsContact CG2-O 3.31Å; T132-L359 WeakPolarHBondContact CG2-O 3.3Å; P356-L359 HydrophobicContact CG-CB 4.36Å; P356-L359 HydrophobicContact CG-CD1 3.77Å; P356-L359 HydrophobicContact CG-CG 3.89Å; P356-L359 PolarHBondContact O-N 3.12Å; P357-L359 VanDerWaalsContact C-N 3.26Å; P357-L359 PolarHBondContact O-N 3.24Å; L359-L377 HydrophobicContact CD1-CD1 3.73Å; L359-L377 HydrophobicContact CD1-CD2 4.44Å
360	K	89.7	Confident	89.9	Confident	120 Å²	120	72.9 Å²	72.9	52%	0.522	37%	0.365	S	S	.	.			trans	-71.9	147.2	-176.9	-66.2	-171.5	176.4	-174.6	0	111.8	D355 P357	D355-K360 WeakPolarHBondContact O-CE 3.49Å; D355-K360 VanDerWaalsContact OD2-CE 3.23Å; D355-K360 WeakPolarHBondContact OD2-CE 3.49Å; D355-K360 WeakPolarHBondContact OD2-CG 3.22Å; P357-K360 PolarHBondContact O-N 2.91Å
361	H	91.3	Very high	89.9	Confident	24 Å²	24	69.6 Å²	69.6	11%	0.111	35%	0.346	C	S	.	.			trans	-153.6	160.9	175.9	63.6	94.4	0	0	0	112.1	V134 H363 Q364 D369	V134-H361 HydrophobicContact CB-CB 4.25Å; V134-H361 HydrophobicContact CG1-CB 3.68Å; V134-H361 HydrophobicContact CG2-CB 3.52Å; H361-H363 PolarHBondContact ND1-N 3.28Å; H361-H363 PolarHBondContact O-N 2.99Å; H361-Q364 VanDerWaalsContact CD2-CG 3.47Å; H361-Q364 WeakPolarHBondContact CD2-CG 3.41Å; H361-Q364 PolarHBondContact CE1-N 2.91Å; H361-Q364 PolarHBondContact ND1-N 3.37Å; H361-Q364 WeakPolarHBondContact NE2-CG 3.39Å; H361-Q364 VanDerWaalsContact O-CG 3.31Å; H361-Q364 WeakPolarHBondContact O-CG 3.43Å; H361-Q364 PolarHBondContact O-N 3.12Å; H361-Q364 PolarHBondContact O-OE1 3.2Å; H361-D369 IonicContact CE1-OD1 3.93Å; H361-D369 IonicContact NE2-OD1 3.16Å; H361-D369 PolarHBondContact NE2-OD1 3.49Å; H361-D369 VanDerWaalsContact NE2-OD1 3.16Å; H361-D369 IonicContact NE2-OD2 3.24Å; H361-D369 PolarHBondContact NE2-OD2 2.76Å
362	K	90.8	Very high	89.9	Confident	189 Å²	189	69 Å²	69	82%	0.822	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.1	-175.1	69.6	-173.7	-174.8	-177.5	0	115.5
363	H	88.2	Confident	90	Very high	55 Å²	55	67 Å²	67	26%	0.255	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	6.1	-175.9	-60.2	-72.2	0	0	0	113.9	W133 H361 Q365 T366 T367	W133-H363 HydrophobicContact CE3-CB 4.23Å; W133-H363 AromaticContact CE3-CD2 3.79Å; W133-H363 AromaticContact CZ3-CD2 3.33Å; W133-H363 WeakPolarHBondContact CZ3-CD2 3.46Å; W133-H363 AromaticContact CZ3-NE2 3.8Å; H361-H363 PolarHBondContact ND1-N 3.28Å; H361-H363 PolarHBondContact O-N 2.99Å; H363-Q365 PolarHBondContact O-N 3.35Å; H363-Q365 VanDerWaalsContact O-N 3.07Å; H363-T366 PolarHBondContact O-N 2.83Å; H363-T366 PolarHBondContact O-OG1 2.98Å; H363-T367 HydrophobicContact CB-CG2 3.94Å; H363-T367 PolarHBondContact O-N 2.83Å; H363-T367 PolarHBondContact O-OG1 3.18Å
364	Q	83.4	Confident	90.3	Very high	49 Å²	49	62 Å²	62	23%	0.229	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.3	-174.3	-76.4	178.9	-70.8	0	0	114.1	D355 H361	D355-Q364 PolarHBondContact OD1-NE2 3Å; D355-Q364 PolarHBondContact OD2-NE2 3.15Å; H361-Q364 VanDerWaalsContact CD2-CG 3.47Å; H361-Q364 WeakPolarHBondContact CD2-CG 3.41Å; H361-Q364 PolarHBondContact CE1-N 2.91Å; H361-Q364 PolarHBondContact ND1-N 3.37Å; H361-Q364 WeakPolarHBondContact NE2-CG 3.39Å; H361-Q364 VanDerWaalsContact O-CG 3.31Å; H361-Q364 WeakPolarHBondContact O-CG 3.43Å; H361-Q364 PolarHBondContact O-N 3.12Å; H361-Q364 PolarHBondContact O-OE1 3.2Å
365	Q	81.9	Confident	90.7	Very high	184 Å²	184	61 Å²	61	86%	0.86	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-14.5	179.9	-60.8	-58.9	-32.8	0	0	113.4	H363	H363-Q365 PolarHBondContact O-N 3.35Å; H363-Q365 VanDerWaalsContact O-N 3.07Å
366	T	84.2	Confident	91	Very high	112 Å²	112	61.9 Å²	61.9	69%	0.687	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-5.5	-173.4	61.9	0	0	0	0	113.1	H363	H363-T366 PolarHBondContact O-N 2.83Å; H363-T366 PolarHBondContact O-OG1 2.98Å
367	T	85.4	Confident	91.2	Very high	34 Å²	34	64.4 Å²	64.4	21%	0.209	32%	0.318	C	S	.	.	S	Bend	trans	-134.6	160.6	-174.9	59.1	0	0	0	0	110	W133 H363	W133-T367 HydrophobicContact CB-CG2 4.38Å; W133-T367 HydrophobicContact CD2-CG2 3.97Å; W133-T367 HydrophobicContact CG-CG2 3.79Å; H363-T367 HydrophobicContact CB-CG2 3.94Å; H363-T367 PolarHBondContact O-N 2.83Å; H363-T367 PolarHBondContact O-OG1 3.18Å
368	I	88.2	Confident	91.3	Very high	16 Å²	16	61 Å²	61	8%	0.082	30%	0.303	C	S	.	.			trans	-89.5	137.9	175.2	-161.1	163.4	0	0	0	110.8	T140 L144 F162 F370 M373	T140-I368 HydrophobicContact CG2-CG2 3.69Å; L144-I368 HydrophobicContact CD1-CG2 4.37Å; L144-I368 HydrophobicContact CD2-CG2 3.67Å; L144-I368 HydrophobicContact CG-CG2 4.29Å; F162-I368 HydrophobicContact CE1-CD1 3.79Å; I368-F370 HydrophobicContact CD1-CD1 4.27Å; I368-F370 HydrophobicContact CD1-CE1 3.93Å; I368-F370 HydrophobicContact CG1-CD1 4.43Å; I368-F370 HydrophobicContact CG1-CE1 4.41Å; I368-F370 HydrophobicContact CG2-CD1 4.46Å; I368-F370 HydrophobicContact CG2-CD2 4.4Å; I368-F370 HydrophobicContact CG2-CE1 4.07Å; I368-F370 HydrophobicContact CG2-CE2 4.02Å; I368-F370 HydrophobicContact CG2-CZ 3.85Å; I368-M373 HydrophobicContact CD1-SD 3.55Å; I368-M373 VanDerWaalsContact CD1-SD 3.55Å; I368-M373 HydrophobicContact CG1-SD 4.28Å
369	D	92.7	Very high	91.6	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.059	27%	0.269	C	S	.	.			trans	-110.7	95.5	172.5	-86	-21.6	0	0	0	109	T132 W133 H361 R371 H372	T132-D369 VanDerWaalsContact CA-OD1 3.24Å; T132-D369 WeakPolarHBondContact CA-OD1 3.29Å; W133-D369 PolarHBondContact N-OD1 3.38Å; H361-D369 IonicContact CE1-OD1 3.93Å; H361-D369 IonicContact NE2-OD1 3.16Å; H361-D369 PolarHBondContact NE2-OD1 3.49Å; H361-D369 VanDerWaalsContact NE2-OD1 3.16Å; H361-D369 IonicContact NE2-OD2 3.24Å; H361-D369 PolarHBondContact NE2-OD2 2.76Å; D369-R371 HydrophobicContact CB-CG 4.45Å; D369-R371 PolarHBondContact O-N 3.09Å; D369-R371 IonicContact OD1-NH1 2.88Å; D369-R371 PolarHBondContact OD1-NH1 3.01Å; D369-R371 IonicContact OD2-CZ 2.64Å; D369-R371 IonicContact OD2-NH1 2.88Å; D369-R371 PolarHBondContact OD2-NH1 2.81Å; D369-R371 IonicContact OD2-NH2 3.91Å; D369-R371 PolarHBondContact OD2-NH2 3.01Å; D369-H372 PolarHBondContact O-N 3.38Å; D369-H372 VanDerWaalsContact O-N 3.08Å
370	F	94.4	Very high	91.8	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-60.4	-18.8	-174.8	-74.5	-56	0	0	0	114.2	T140 E143 L144 F162 G168 V169 I368 H372 M373 Q374	T140-F370 HydrophobicContact CG2-CD2 4.07Å; T140-F370 HydrophobicContact CG2-CE2 3.8Å; E143-F370 HydrophobicContact CB-CE2 3.96Å; E143-F370 HydrophobicContact CB-CZ 4.33Å; E143-F370 HydrophobicContact CG-CE2 4.01Å; E143-F370 HydrophobicContact CG-CZ 4.04Å; L144-F370 HydrophobicContact CD2-CZ 4.02Å; L144-F370 HydrophobicContact CG-CZ 4.47Å; F162-F370 HydrophobicContact CZ-CE1 4.08Å; F162-F370 HydrophobicContact CZ-CZ 4.05Å; G168-F370 WeakPolarHBondContact O-CE1 3.46Å; V169-F370 HydrophobicContact CB-CD1 3.89Å; V169-F370 HydrophobicContact CB-CE1 4.06Å; V169-F370 HydrophobicContact CG2-CB 4.24Å; V169-F370 HydrophobicContact CG2-CD1 3.55Å; V169-F370 HydrophobicContact CG2-CE1 4.1Å; V169-F370 HydrophobicContact CG2-CG 4.03Å; I368-F370 HydrophobicContact CD1-CD1 4.27Å; I368-F370 HydrophobicContact CD1-CE1 3.93Å; I368-F370 HydrophobicContact CG1-CD1 4.43Å; I368-F370 HydrophobicContact CG1-CE1 4.41Å; I368-F370 HydrophobicContact CG2-CD1 4.46Å; I368-F370 HydrophobicContact CG2-CD2 4.4Å; I368-F370 HydrophobicContact CG2-CE1 4.07Å; I368-F370 HydrophobicContact CG2-CE2 4.02Å; I368-F370 HydrophobicContact CG2-CZ 3.85Å; F370-H372 PolarHBondContact O-N 3.08Å; F370-H372 VanDerWaalsContact O-N 3.09Å; F370-M373 HydrophobicContact CD1-SD 4.08Å; F370-M373 HydrophobicContact CE1-SD 4.39Å; F370-M373 WeakPolarHBondContact O-CA 3.49Å; F370-M373 PolarHBondContact O-N 3.09Å; F370-Q374 WeakPolarHBondContact O-CG 3.4Å
371	R	94.1	Very high	92.2	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.045	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-54	-27.6	172.1	70	175.1	-179.2	-70.1	-4.3	113.5	F131 D355 D369 M373 L377	F131-R371 VanDerWaalsContact O-CB 3.31Å; F131-R371 WeakPolarHBondContact O-CB 3.46Å; F131-R371 WeakPolarHBondContact O-CG 3.27Å; F131-R371 PolarHBondContact O-NH1 2.73Å; D355-R371 IonicContact OD1-CZ 3.92Å; D355-R371 IonicContact OD1-NH2 3.19Å; D355-R371 PolarHBondContact OD1-NH2 3.08Å; D369-R371 HydrophobicContact CB-CG 4.45Å; D369-R371 PolarHBondContact O-N 3.09Å; D369-R371 IonicContact OD1-NH1 2.88Å; D369-R371 PolarHBondContact OD1-NH1 3.01Å; D369-R371 IonicContact OD2-CZ 2.64Å; D369-R371 IonicContact OD2-NH1 2.88Å; D369-R371 PolarHBondContact OD2-NH1 2.81Å; D369-R371 IonicContact OD2-NH2 3.91Å; D369-R371 PolarHBondContact OD2-NH2 3.01Å; R371-M373 VanDerWaalsContact C-N 3.27Å; R371-L377 HydrophobicContact CB-CD1 3.96Å; R371-L377 HydrophobicContact CG-CD1 4.45Å
372	H	94.5	Very high	92.5	Very high	15 Å²	15	50.5 Å²	50.5	7%	0.069	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-84.1	-2.1	178.2	-59.2	-51.7	0	0	0	112.6	V348 K349 H353 D369 F370	V348-H372 CarbonylContact C-O 3.59Å; K349-H372 VanDerWaalsContact CA-O 3.25Å; K349-H372 WeakPolarHBondContact CA-O 3.42Å; K349-H372 HydrophobicContact CB-CB 4.21Å; K349-H372 HydrophobicContact CG-CB 4.24Å; H353-H372 AromaticContact ND1-CE1 3.42Å; H353-H372 PolarHBondContact ND1-CE1 2.91Å; H353-H372 AromaticContact ND1-ND1 3.76Å; H353-H372 AromaticContact ND1-NE2 3.65Å; D369-H372 PolarHBondContact O-N 3.38Å; D369-H372 VanDerWaalsContact O-N 3.08Å; F370-H372 PolarHBondContact O-N 3.08Å; F370-H372 VanDerWaalsContact O-N 3.09Å
373	M	95.7	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-114.9	9.8	-178.3	-64.5	-177.9	65.1	0	0	113.3	V169 Q171 Y342 V345 V348 K349 I368 F370 R371	V169-M373 HydrophobicContact CB-CB 4.39Å; V169-M373 HydrophobicContact CB-CE 4.23Å; V169-M373 HydrophobicContact CG1-CB 4.09Å; V169-M373 HydrophobicContact CG1-CE 4.15Å; Q171-M373 PolarHBondContact NE2-O 2.95Å; Y342-M373 HydrophobicContact CD2-CE 3.65Å; Y342-M373 HydrophobicContact CE2-CE 3.93Å; V345-M373 HydrophobicContact CB-CE 4.31Å; V345-M373 HydrophobicContact CG1-CE 3.95Å; V348-M373 HydrophobicContact CG1-CB 4.37Å; V348-M373 HydrophobicContact CG1-CG 4.47Å; K349-M373 HydrophobicContact CG-CG 3.99Å; I368-M373 HydrophobicContact CD1-SD 3.55Å; I368-M373 VanDerWaalsContact CD1-SD 3.55Å; I368-M373 HydrophobicContact CG1-SD 4.28Å; F370-M373 HydrophobicContact CD1-SD 4.08Å; F370-M373 HydrophobicContact CE1-SD 4.39Å; F370-M373 WeakPolarHBondContact O-CA 3.49Å; F370-M373 PolarHBondContact O-N 3.09Å; R371-M373 VanDerWaalsContact C-N 3.27Å
374	Q	96.3	Very high	93.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.21	C	C	.	.	S	Bend	trans	-146.9	166.4	-178.1	63.2	179.5	44.3	0	0	109.7	F370 P376 G378	F370-Q374 WeakPolarHBondContact O-CG 3.4Å; Q374-P376 HydrophobicContact CG-CG 4.48Å; Q374-P376 WeakPolarHBondContact CG-O 3.44Å; Q374-P376 PolarHBondContact NE2-O 3.48Å; Q374-G378 PolarHBondContact NE2-O 2.96Å
375	I	96.9	Very high	94.1	Very high	86 Å²	86	36.9 Å²	36.9	44%	0.441	20%	0.199	S	C	.	.	S	Bend	trans	-73.1	-51.9	176.6	-65.5	167.3	0	0	0	112.4	L179 V180 F352	L179-I375 HydrophobicContact CD2-CD1 3.48Å; L179-I375 VanDerWaalsContact CD2-CD1 3.48Å; L179-I375 HydrophobicContact CG-CD1 4.02Å; V180-I375 HydrophobicContact CG2-CD1 4.21Å; V180-I375 HydrophobicContact CG2-CG1 3.87Å; F352-I375 HydrophobicContact CE1-CG1 4.25Å
376	P	96.5	Very high	94.9	Very high	56 Å²	56	28.2 Å²	28.2	36%	0.364	16%	0.159	S	C	.	.	S	Bend	trans	-76.3	155.3	-177.4	29.6	-34.9	0	0	0	112.3	Q374	Q374-P376 HydrophobicContact CG-CG 4.48Å; Q374-P376 WeakPolarHBondContact CG-O 3.44Å; Q374-P376 PolarHBondContact NE2-O 3.48Å
377	L	95.4	Very high	95.6	Very high	80 Å²	80	26.5 Å²	26.5	42%	0.419	14%	0.14	S	C	.	.	S	Bend	trans	-70.3	-52.6	169.4	178.7	63.3	0	0	0	111	F131 L359 R371	F131-L377 HydrophobicContact CB-CD1 3.85Å; F131-L377 HydrophobicContact CB-CG 4.06Å; F131-L377 WeakPolarHBondContact CB-O 3.48Å; F131-L377 HydrophobicContact CG-CD1 4.32Å; F131-L377 HydrophobicContact CG-CG 4.39Å; L359-L377 HydrophobicContact CD1-CD1 3.73Å; L359-L377 HydrophobicContact CD1-CD2 4.44Å; R371-L377 HydrophobicContact CB-CD1 3.96Å; R371-L377 HydrophobicContact CG-CD1 4.45Å
378	G	95.1	Very high	96.2	Very high	37 Å²	37	27.6 Å²	27.6	38%	0.381	14%	0.141	S	C	.	.			trans	-73.2	144.5	-176.1	0	0	0	0	0	113.2	Q374	Q374-G378 PolarHBondContact NE2-O 2.96Å
379	R	96.8	Very high	96.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.015	14%	0.138	C	C	.	.			trans	-149.6	136.6	171.5	57	-171.4	-50.3	-65.2	-13.6	111.1	I129 G130 C139 E143	I129-R379 WeakPolarHBondContact CA-O 3.34Å; G130-R379 PolarHBondContact N-O 3.31Å; G130-R379 WeakPolarHBondContact O-CD 3.15Å; G130-R379 WeakPolarHBondContact O-CG 3.38Å; C139-R379 PolarHBondContact SG-NH1 3.24Å; C139-R379 VanDerWaalsContact SG-NH1 3.44Å; E143-R379 IonicContact OE1-CZ 2.69Å; E143-R379 IonicContact OE1-NH2 3.17Å; E143-R379 PolarHBondContact OE1-NH2 2.99Å; E143-R379 IonicContact OE2-CZ 3.03Å; E143-R379 IonicContact OE2-NH1 3.41Å; E143-R379 PolarHBondContact OE2-NH1 3.46Å; E143-R379 IonicContact OE2-NH2 3.81Å; E143-R379 PolarHBondContact OE2-NH2 3.29Å
380	K	95.8	Very high	97	Very high	75 Å²	75	27.2 Å²	27.2	33%	0.326	14%	0.139	S	C	.	.			trans	-86.4	171.1	177.4	68.3	-179.9	-179.3	177.2	0	111.9	D336 R382	D336-K380 WeakPolarHBondContact OD1-CE 3.49Å; D336-K380 IonicContact OD1-NZ 2.95Å; D336-K380 PolarHBondContact OD1-NZ 2.98Å; K380-R382 HydrophobicContact CD-CG 4.5Å; K380-R382 HydrophobicContact CG-CG 3.73Å; K380-R382 PolarHBondContact O-N 2.69Å
381	F	98.1	Very high	97.2	Very high	14 Å²	14	34.9 Å²	34.9	6%	0.061	17%	0.169	C	C	.	.			trans	-79.7	55.3	-173.7	-156.9	167.3	0	0	0	113.7	A123 I126 A138 C139 L142 S383 L384	A123-F381 HydrophobicContact CB-CB 4.36Å; I126-F381 HydrophobicContact CD1-CD1 4.29Å; I126-F381 HydrophobicContact CD1-CE1 4.44Å; A138-F381 VanDerWaalsContact C-CZ 3.47Å; A138-F381 HydrophobicContact CB-CE1 4.17Å; A138-F381 HydrophobicContact CB-CZ 4.01Å; A138-F381 WeakPolarHBondContact O-CE2 3.47Å; A138-F381 VanDerWaalsContact O-CZ 3.3Å; A138-F381 WeakPolarHBondContact O-CZ 3.13Å; C139-F381 VanDerWaalsContact CA-CE2 3.46Å; C139-F381 HydrophobicContact CB-CD1 4.4Å; C139-F381 HydrophobicContact CB-CD2 4.11Å; C139-F381 HydrophobicContact CB-CE2 4.34Å; C139-F381 HydrophobicContact CB-CG 4.14Å; L142-F381 HydrophobicContact CB-CE2 3.92Å; L142-F381 HydrophobicContact CB-CZ 4.27Å; L142-F381 HydrophobicContact CD2-CE2 3.64Å; L142-F381 HydrophobicContact CD2-CZ 3.97Å; L142-F381 HydrophobicContact CG-CE2 4.33Å; F381-S383 WeakPolarHBondContact CD2-OG 3.33Å; F381-S383 VanDerWaalsContact CE2-OG 3.27Å; F381-S383 WeakPolarHBondContact CE2-OG 3.44Å; F381-S383 PolarHBondContact O-N 3.41Å; F381-L384 HydrophobicContact CB-CD1 4.15Å; F381-L384 HydrophobicContact CD1-CD1 3.61Å; F381-L384 HydrophobicContact CD1-CG 4.05Å; F381-L384 HydrophobicContact CD2-CD1 4.17Å; F381-L384 HydrophobicContact CD2-CG 3.81Å; F381-L384 HydrophobicContact CE1-CD1 3.99Å; F381-L384 HydrophobicContact CE1-CD2 4.41Å; F381-L384 HydrophobicContact CE1-CG 4.14Å; F381-L384 HydrophobicContact CE2-CD1 4.49Å; F381-L384 HydrophobicContact CE2-CD2 4.38Å; F381-L384 HydrophobicContact CE2-CG 3.88Å; F381-L384 HydrophobicContact CG-CD1 3.71Å; F381-L384 HydrophobicContact CG-CG 3.89Å; F381-L384 HydrophobicContact CZ-CD1 4.42Å; F381-L384 HydrophobicContact CZ-CD2 4.21Å; F381-L384 HydrophobicContact CZ-CG 4.05Å; F381-L384 PolarHBondContact O-N 3.06Å
382	R	98.4	Very high	97.4	Very high	28 Å²	28	42.7 Å²	42.7	11%	0.106	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.5	-174	-59.7	178.2	-175.2	105.9	-3.7	114.7	I170 D336 K380 L384 K385	I170-R382 HydrophobicContact CB-CB 4.48Å; I170-R382 HydrophobicContact CD1-CB 4.17Å; I170-R382 HydrophobicContact CG2-CB 3.9Å; I170-R382 HydrophobicContact CG2-CG 4.38Å; I170-R382 PolarHBondContact O-NH1 2.93Å; D336-R382 IonicContact OD1-NE 3.22Å; D336-R382 IonicContact OD2-CZ 2.9Å; D336-R382 VanDerWaalsContact OD2-CZ 3.29Å; D336-R382 IonicContact OD2-NE 2.81Å; D336-R382 PolarHBondContact OD2-NE 2.93Å; D336-R382 IonicContact OD2-NH2 3.82Å; D336-R382 PolarHBondContact OD2-NH2 3.08Å; K380-R382 HydrophobicContact CD-CG 4.5Å; K380-R382 HydrophobicContact CG-CG 3.73Å; K380-R382 PolarHBondContact O-N 2.69Å; R382-L384 PolarHBondContact O-N 3.06Å; R382-K385 WeakPolarHBondContact O-CG 3.41Å; R382-K385 PolarHBondContact O-N 2.83Å
383	S	98.5	Very high	97.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-17.5	179.9	52.8	0	0	0	0	112.9	F381 L386 W387	F381-S383 WeakPolarHBondContact CD2-OG 3.33Å; F381-S383 VanDerWaalsContact CE2-OG 3.27Å; F381-S383 WeakPolarHBondContact CE2-OG 3.44Å; F381-S383 PolarHBondContact O-N 3.41Å; S383-L386 PolarHBondContact O-N 3.29Å; S383-W387 VanDerWaalsContact O-CB 3.27Å; S383-W387 WeakPolarHBondContact O-CB 3.11Å; S383-W387 PolarHBondContact O-N 3.46Å
384	L	98.4	Very high	97.7	Very high	8 Å²	8	46 Å²	46	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-49.5	174.3	-78.5	172.5	0	0	0	112.7	A119 L122 A123 I126 L142 F381 R382 L386 W387 F388	A119-L384 HydrophobicContact CB-CB 4.39Å; L122-L384 HydrophobicContact CD2-CD1 4.27Å; L122-L384 HydrophobicContact CD2-CD2 4.27Å; L122-L384 HydrophobicContact CG-CD1 4.21Å; A123-L384 HydrophobicContact CB-CD1 3.92Å; I126-L384 HydrophobicContact CD1-CD1 4.3Å; L142-L384 HydrophobicContact CD2-CD2 3.86Å; L142-L384 HydrophobicContact CD2-CG 4.32Å; F381-L384 HydrophobicContact CB-CD1 4.15Å; F381-L384 HydrophobicContact CD1-CD1 3.61Å; F381-L384 HydrophobicContact CD1-CG 4.05Å; F381-L384 HydrophobicContact CD2-CD1 4.17Å; F381-L384 HydrophobicContact CD2-CG 3.81Å; F381-L384 HydrophobicContact CE1-CD1 3.99Å; F381-L384 HydrophobicContact CE1-CD2 4.41Å; F381-L384 HydrophobicContact CE1-CG 4.14Å; F381-L384 HydrophobicContact CE2-CD1 4.49Å; F381-L384 HydrophobicContact CE2-CD2 4.38Å; F381-L384 HydrophobicContact CE2-CG 3.88Å; F381-L384 HydrophobicContact CG-CD1 3.71Å; F381-L384 HydrophobicContact CG-CG 3.89Å; F381-L384 HydrophobicContact CZ-CD1 4.42Å; F381-L384 HydrophobicContact CZ-CD2 4.21Å; F381-L384 HydrophobicContact CZ-CG 4.05Å; F381-L384 PolarHBondContact O-N 3.06Å; R382-L384 PolarHBondContact O-N 3.06Å; L384-L386 VanDerWaalsContact C-N 3.31Å; L384-L386 PolarHBondContact O-N 2.85Å; L384-W387 HydrophobicContact CD2-CE3 4.35Å; L384-W387 PolarHBondContact O-N 2.91Å; L384-F388 HydrophobicContact CD2-CE1 4.1Å; L384-F388 WeakPolarHBondContact O-CB 3.27Å; L384-F388 VanDerWaalsContact O-CD1 3.25Å; L384-F388 WeakPolarHBondContact O-CD1 3.35Å; L384-F388 PolarHBondContact O-N 2.85Å
385	K	98.5	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-33.8	179.4	54	178	163.2	-168.3	0	113.4	S116 A119 D120 I333 N334 D336 R382 T389	S116-K385 WeakPolarHBondContact OG-CB 3.32Å; A119-K385 HydrophobicContact CB-CB 3.77Å; D120-K385 WeakPolarHBondContact OD1-CD 3.33Å; D120-K385 IonicContact OD1-NZ 3.37Å; D120-K385 IonicContact OD2-NZ 2.69Å; D120-K385 PolarHBondContact OD2-NZ 2.86Å; I333-K385 HydrophobicContact CG2-CB 4.33Å; I333-K385 HydrophobicContact CG2-CD 3.65Å; I333-K385 HydrophobicContact CG2-CG 3.87Å; N334-K385 WeakPolarHBondContact O-CE 3.39Å; N334-K385 PolarHBondContact O-NZ 3.18Å; D336-K385 WeakPolarHBondContact O-CE 3.4Å; D336-K385 PolarHBondContact O-NZ 2.84Å; D336-K385 IonicContact OD1-NZ 3.48Å; R382-K385 WeakPolarHBondContact O-CG 3.41Å; R382-K385 PolarHBondContact O-N 2.83Å; K385-T389 WeakPolarHBondContact O-CB 3.33Å; K385-T389 PolarHBondContact O-N 3.02Å; K385-T389 PolarHBondContact O-OG1 3.32Å
386	L	98.4	Very high	97.9	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-47.7	171	-178.3	56.8	0	0	0	111.3	M146 V150 I170 I333 I339 S383 L384 T389 L390	M146-L386 HydrophobicContact CB-CD2 3.7Å; M146-L386 HydrophobicContact CB-CG 4.16Å; M146-L386 HydrophobicContact CG-CD2 4.42Å; M146-L386 HydrophobicContact CG-CG 4.41Å; V150-L386 HydrophobicContact CG2-CD1 3.85Å; V150-L386 HydrophobicContact CG2-CD2 3.93Å; V150-L386 HydrophobicContact CG2-CG 4.28Å; I170-L386 HydrophobicContact CD1-CD2 4.3Å; I333-L386 HydrophobicContact CD1-CB 4.14Å; I333-L386 HydrophobicContact CD1-CD1 3.4Å; I333-L386 HydrophobicContact CD1-CG 4.38Å; I339-L386 HydrophobicContact CD1-CD2 3.74Å; S383-L386 PolarHBondContact O-N 3.29Å; L384-L386 VanDerWaalsContact C-N 3.31Å; L384-L386 PolarHBondContact O-N 2.85Å; L386-T389 PolarHBondContact O-N 2.88Å; L386-L390 HydrophobicContact CD1-CD1 3.8Å; L386-L390 HydrophobicContact CD1-CG 4.08Å; L386-L390 HydrophobicContact CG-CD1 4Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 2.98Å
387	W	98.7	Very high	98	Very high	76 Å²	76	54.6 Å²	54.6	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-46.8	179	-173.8	56.5	0	0	0	112.9	L142 M146 S383 L384 R391	L142-W387 HydrophobicContact CD1-CB 4.25Å; L142-W387 HydrophobicContact CD1-CD2 4.11Å; L142-W387 HydrophobicContact CD1-CG 3.86Å; L142-W387 HydrophobicContact CD2-CB 4.14Å; L142-W387 HydrophobicContact CD2-CD2 4.35Å; L142-W387 HydrophobicContact CD2-CE3 4.34Å; L142-W387 HydrophobicContact CD2-CG 4.31Å; M146-W387 VanDerWaalsContact CE-CD1 3.46Å; M146-W387 HydrophobicContact CE-CG 4.34Å; M146-W387 HydrophobicContact CG-CB 4.12Å; M146-W387 VanDerWaalsContact SD-CA 3.5Å; M146-W387 HydrophobicContact SD-CB 3.6Å; M146-W387 VanDerWaalsContact SD-CB 3.6Å; M146-W387 VanDerWaalsContact SD-CD1 3.52Å; M146-W387 HydrophobicContact SD-CG 3.95Å; S383-W387 VanDerWaalsContact O-CB 3.27Å; S383-W387 WeakPolarHBondContact O-CB 3.11Å; S383-W387 PolarHBondContact O-N 3.46Å; L384-W387 HydrophobicContact CD2-CE3 4.35Å; L384-W387 PolarHBondContact O-N 2.91Å; W387-R391 VanDerWaalsContact NE1-CD 3.33Å; W387-R391 WeakPolarHBondContact O-CB 3.45Å; W387-R391 VanDerWaalsContact O-CG 3.28Å; W387-R391 WeakPolarHBondContact O-CG 3.19Å; W387-R391 PolarHBondContact O-N 2.96Å
388	F	98.7	Very high	98.1	Very high	56 Å²	56	51 Å²	51	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-48.3	178.6	-83.4	40.1	0	0	0	110.6	T115 A119 L122 L384 R391 R392	T115-F388 VanDerWaalsContact CG2-C 3.44Å; T115-F388 HydrophobicContact CG2-CB 3.75Å; T115-F388 WeakPolarHBondContact CG2-O 3.25Å; A119-F388 HydrophobicContact CB-CB 3.88Å; A119-F388 HydrophobicContact CB-CD1 4.24Å; A119-F388 HydrophobicContact CB-CD2 3.56Å; A119-F388 HydrophobicContact CB-CE2 4.11Å; A119-F388 HydrophobicContact CB-CG 3.64Å; L122-F388 HydrophobicContact CD2-CE1 4.29Å; L122-F388 HydrophobicContact CD2-CZ 3.71Å; L384-F388 HydrophobicContact CD2-CE1 4.1Å; L384-F388 WeakPolarHBondContact O-CB 3.27Å; L384-F388 VanDerWaalsContact O-CD1 3.25Å; L384-F388 WeakPolarHBondContact O-CD1 3.35Å; L384-F388 PolarHBondContact O-N 2.85Å; F388-R391 PolarHBondContact O-N 3.11Å; F388-R392 WeakPolarHBondContact O-CB 3.27Å; F388-R392 PolarHBondContact O-N 3.46Å
389	T	98.5	Very high	98.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-51.1	179.8	-60.2	0	0	0	0	111.1	I333 K385 L386 R391 R392 Y393 L398	I333-T389 HydrophobicContact CD1-CG2 4.3Å; I333-T389 HydrophobicContact CG1-CG2 3.83Å; K385-T389 WeakPolarHBondContact O-CB 3.33Å; K385-T389 PolarHBondContact O-N 3.02Å; K385-T389 PolarHBondContact O-OG1 3.32Å; L386-T389 PolarHBondContact O-N 2.88Å; T389-R391 VanDerWaalsContact C-N 3.33Å; T389-R391 PolarHBondContact O-N 2.85Å; T389-R392 PolarHBondContact O-N 2.82Å; T389-Y393 HydrophobicContact CG2-CD2 3.59Å; T389-Y393 HydrophobicContact CG2-CE2 3.95Å; T389-Y393 WeakPolarHBondContact O-CB 3.29Å; T389-Y393 WeakPolarHBondContact O-CD2 3.47Å; T389-Y393 PolarHBondContact O-N 3.09Å; T389-L398 HydrophobicContact CG2-CD2 4.38Å
390	L	98.5	Very high	98.4	Very high	18 Å²	18	52.9 Å²	52.9	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-40.3	178.8	-71.8	174.2	0	0	0	112.2	M146 W149 V150 I153 L386 G394 L398	M146-L390 HydrophobicContact SD-CD1 4.15Å; W149-L390 HydrophobicContact CE3-CD1 4.27Å; V150-L390 HydrophobicContact CG2-CD1 4.12Å; I153-L390 HydrophobicContact CD1-CD1 4.42Å; I153-L390 HydrophobicContact CD1-CD2 3.77Å; L386-L390 HydrophobicContact CD1-CD1 3.8Å; L386-L390 HydrophobicContact CD1-CG 4.08Å; L386-L390 HydrophobicContact CG-CD1 4Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 2.98Å; L390-G394 WeakPolarHBondContact O-CA 3.49Å; L390-G394 PolarHBondContact O-N 2.84Å; L390-L398 HydrophobicContact CD2-CD1 3.91Å
391	R	98.5	Very high	98.5	Very high	163 Å²	163	50.4 Å²	50.4	62%	0.615	23%	0.233	S	C	*	.	H	α-helix	trans	-73.8	-39.5	179.3	-72.7	-171.7	69	-163.5	2.6	113.5	W387 F388 T389	W387-R391 VanDerWaalsContact NE1-CD 3.33Å; W387-R391 WeakPolarHBondContact O-CB 3.45Å; W387-R391 VanDerWaalsContact O-CG 3.28Å; W387-R391 WeakPolarHBondContact O-CG 3.19Å; W387-R391 PolarHBondContact O-N 2.96Å; F388-R391 PolarHBondContact O-N 3.11Å; T389-R391 VanDerWaalsContact C-N 3.33Å; T389-R391 PolarHBondContact O-N 2.85Å
392	R	98.3	Very high	98.5	Very high	176 Å²	176	49.7 Å²	49.7	66%	0.664	23%	0.23	S	C	*	.	H	α-helix	trans	-77.3	-42.2	-174.5	178.9	59.5	-173.8	100.8	-4.3	112.5	T115 F388 T389	T115-R392 HydrophobicContact CG2-CB 3.69Å; T115-R392 HydrophobicContact CG2-CG 4.07Å; T115-R392 WeakPolarHBondContact OG1-CG 3.22Å; F388-R392 WeakPolarHBondContact O-CB 3.27Å; F388-R392 PolarHBondContact O-N 3.46Å; T389-R392 PolarHBondContact O-N 2.82Å
393	Y	98.2	Very high	98.6	Very high	58 Å²	58	52.7 Å²	52.7	23%	0.227	24%	0.241	C	C	.	.	H	α-helix	trans	-88.8	-39.9	179.9	-63.2	-59.3	0	0	0	111.7	S113 T115 T389 N397 L398	S113-Y393 VanDerWaalsContact CB-OH 3.24Å; S113-Y393 WeakPolarHBondContact CB-OH 3.41Å; T115-Y393 HydrophobicContact CG2-CE2 4.39Å; T115-Y393 PolarHBondContact OG1-OH 2.98Å; T115-Y393 VanDerWaalsContact OG1-OH 3.07Å; T389-Y393 HydrophobicContact CG2-CD2 3.59Å; T389-Y393 HydrophobicContact CG2-CE2 3.95Å; T389-Y393 WeakPolarHBondContact O-CB 3.29Å; T389-Y393 WeakPolarHBondContact O-CD2 3.47Å; T389-Y393 PolarHBondContact O-N 3.09Å; Y393-N397 WeakPolarHBondContact O-CB 3.38Å; Y393-N397 PolarHBondContact O-ND2 3.06Å; Y393-L398 HydrophobicContact CD2-CD2 4.28Å; Y393-L398 HydrophobicContact CG-CD2 4.43Å
394	G	98.5	Very high	98.6	Very high	26 Å²	26	55.5 Å²	55.5	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	70.7	155.2	-169.1	0	0	0	0	0	112.3	L390 K396 N397 L398	L390-G394 WeakPolarHBondContact O-CA 3.49Å; L390-G394 PolarHBondContact O-N 2.84Å; G394-K396 VanDerWaalsContact C-N 3.26Å; G394-K396 PolarHBondContact O-N 3.28Å; G394-N397 PolarHBondContact O-N 2.95Å; G394-L398 PolarHBondContact O-N 3.21Å
395	V	98.6	Very high	98.6	Very high	49 Å²	49	55.1 Å²	55.1	30%	0.297	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-37.3	-175.6	-179.4	0	0	0	0	112.2	I153 N397 L398 Q399	I153-V395 HydrophobicContact CD1-CG2 3.7Å; I153-V395 HydrophobicContact CG1-CG2 3.79Å; I153-V395 HydrophobicContact CG2-CG1 3.91Å; I153-V395 HydrophobicContact CG2-CG2 4.26Å; V395-N397 PolarHBondContact O-N 3.33Å; V395-L398 PolarHBondContact O-N 3.32Å; V395-Q399 HydrophobicContact CG1-CG 4.17Å; V395-Q399 WeakPolarHBondContact O-CB 3.28Å; V395-Q399 VanDerWaalsContact O-CG 3.28Å; V395-Q399 WeakPolarHBondContact O-CG 3.34Å; V395-Q399 PolarHBondContact O-N 3.28Å
396	K	98.7	Very high	98.6	Very high	170 Å²	170	55.2 Å²	55.2	74%	0.739	26%	0.255	S	S	*	.	H	α-helix	trans	-61.1	-42.9	-179	-69.6	-174.8	178.6	-178.3	0	113.1	G394 Q399 A400	G394-K396 VanDerWaalsContact C-N 3.26Å; G394-K396 PolarHBondContact O-N 3.28Å; K396-Q399 PolarHBondContact O-N 3.02Å; K396-A400 PolarHBondContact O-N 2.96Å
397	N	98.6	Very high	98.6	Very high	105 Å²	105	60.4 Å²	60.4	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-75.7	-33.8	179.8	-67.4	-39.8	0	0	0	111.6	Y393 G394 V395 Q399 A400 Y401	Y393-N397 WeakPolarHBondContact O-CB 3.38Å; Y393-N397 PolarHBondContact O-ND2 3.06Å; G394-N397 PolarHBondContact O-N 2.95Å; V395-N397 PolarHBondContact O-N 3.33Å; N397-Q399 VanDerWaalsContact C-N 3.34Å; N397-A400 PolarHBondContact O-N 3.41Å; N397-Y401 WeakPolarHBondContact O-CB 3.28Å; N397-Y401 PolarHBondContact O-N 3.05Å
398	L	98.7	Very high	98.6	Very high	5 Å²	5	57 Å²	57	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-39.9	171.4	-66.1	172.5	0	0	0	111.4	I306 L332 T389 L390 Y393 G394 V395 Y401 I402	I306-L398 HydrophobicContact CD1-CB 3.62Å; L332-L398 HydrophobicContact CD1-CD2 4.3Å; T389-L398 HydrophobicContact CG2-CD2 4.38Å; L390-L398 HydrophobicContact CD2-CD1 3.91Å; Y393-L398 HydrophobicContact CD2-CD2 4.28Å; Y393-L398 HydrophobicContact CG-CD2 4.43Å; G394-L398 PolarHBondContact O-N 3.21Å; V395-L398 PolarHBondContact O-N 3.32Å; L398-Y401 WeakPolarHBondContact O-CB 3.34Å; L398-Y401 PolarHBondContact O-N 3.4Å; L398-I402 WeakPolarHBondContact O-CG1 3.24Å; L398-I402 PolarHBondContact O-N 3.21Å; L398-I402 VanDerWaalsContact O-N 3.08Å
399	Q	98.8	Very high	98.6	Very high	31 Å²	31	54.3 Å²	54.3	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-43.4	172.4	-73.4	170.6	-17.9	0	0	111.7	I306 V395 K396 N397 Y401 I402 R403	I306-Q399 HydrophobicContact CD1-CG 4.04Å; I306-Q399 HydrophobicContact CG1-CG 3.87Å; I306-Q399 PolarHBondContact O-NE2 3.47Å; V395-Q399 HydrophobicContact CG1-CG 4.17Å; V395-Q399 WeakPolarHBondContact O-CB 3.28Å; V395-Q399 VanDerWaalsContact O-CG 3.28Å; V395-Q399 WeakPolarHBondContact O-CG 3.34Å; V395-Q399 PolarHBondContact O-N 3.28Å; K396-Q399 PolarHBondContact O-N 3.02Å; N397-Q399 VanDerWaalsContact C-N 3.34Å; Q399-Y401 VanDerWaalsContact C-N 3.32Å; Q399-Y401 PolarHBondContact O-N 3.36Å; Q399-I402 PolarHBondContact O-N 3.18Å; Q399-R403 WeakPolarHBondContact O-CB 3.46Å; Q399-R403 VanDerWaalsContact O-CG 3.3Å; Q399-R403 WeakPolarHBondContact O-CG 3.28Å; Q399-R403 PolarHBondContact O-N 3.44Å
400	A	98.7	Very high	98.7	Very high	49 Å²	49	57.5 Å²	57.5	41%	0.405	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.4	0	0	0	0	0	112	K396 N397 R403 N404	K396-A400 PolarHBondContact O-N 2.96Å; N397-A400 PolarHBondContact O-N 3.41Å; A400-R403 PolarHBondContact O-N 2.93Å; A400-N404 WeakPolarHBondContact O-CB 3.49Å; A400-N404 PolarHBondContact O-N 2.78Å
401	Y	98.6	Very high	98.7	Very high	23 Å²	23	58.9 Å²	58.9	9%	0.09	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-50.1	173.9	164.9	-99.1	0	0	0	112.3	W330 L332 N397 L398 Q399 R403 N404 H405 H480	W330-Y401 AromaticContact CD1-CE1 3.75Å; W330-Y401 AromaticContact CD1-CZ 3.94Å; W330-Y401 HydrophobicContact CG-CE1 4.44Å; W330-Y401 WeakPolarHBondContact O-CE1 3.41Å; L332-Y401 HydrophobicContact CD1-CD1 4.4Å; L332-Y401 HydrophobicContact CD1-CD2 4.06Å; L332-Y401 HydrophobicContact CD1-CE2 4.3Å; L332-Y401 HydrophobicContact CD1-CG 4.1Å; L332-Y401 HydrophobicContact CD2-CD2 4.17Å; L332-Y401 HydrophobicContact CD2-CE1 4.24Å; L332-Y401 HydrophobicContact CD2-CE2 3.56Å; L332-Y401 HydrophobicContact CG-CD1 4.26Å; L332-Y401 HydrophobicContact CG-CD2 4.28Å; L332-Y401 HydrophobicContact CG-CE1 4.05Å; L332-Y401 HydrophobicContact CG-CE2 4.05Å; L332-Y401 HydrophobicContact CG-CG 4.37Å; N397-Y401 WeakPolarHBondContact O-CB 3.28Å; N397-Y401 PolarHBondContact O-N 3.05Å; L398-Y401 WeakPolarHBondContact O-CB 3.34Å; L398-Y401 PolarHBondContact O-N 3.4Å; Q399-Y401 VanDerWaalsContact C-N 3.32Å; Q399-Y401 PolarHBondContact O-N 3.36Å; Y401-R403 PolarHBondContact O-N 2.95Å; Y401-N404 PolarHBondContact O-N 2.7Å; Y401-H405 AromaticContact CD2-CD2 3.99Å; Y401-H405 AromaticContact CD2-NE2 3.7Å; Y401-H405 AromaticContact CE2-CD2 3.7Å; Y401-H405 AromaticContact CE2-CE1 3.63Å; Y401-H405 AromaticContact CE2-NE2 3Å; Y401-H405 WeakPolarHBondContact CE2-NE2 3.1Å; Y401-H405 AromaticContact CZ-CE1 3.62Å; Y401-H405 AromaticContact CZ-NE2 3.47Å; Y401-H405 PolarHBondContact O-CD2 2.99Å; Y401-H405 VanDerWaalsContact O-CD2 3.28Å; Y401-H405 PolarHBondContact O-N 3.48Å; Y401-H405 PolarHBondContact OH-CE1 3.45Å; Y401-H480 WeakPolarHBondContact CE2-O 3.23Å
402	I	98.8	Very high	98.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-49.9	175.7	-66.9	-63.2	0	0	0	110.9	I306 W330 L331 L398 Q399 N404 H405 I406	I306-I402 HydrophobicContact CD1-CG1 4.12Å; I306-I402 HydrophobicContact CG1-CG1 4.41Å; W330-I402 HydrophobicContact CD2-CD1 3.45Å; W330-I402 VanDerWaalsContact CD2-CD1 3.45Å; W330-I402 HydrophobicContact CE3-CD1 3.68Å; W330-I402 HydrophobicContact CG-CD1 3.86Å; W330-I402 HydrophobicContact CH2-CD1 4.38Å; W330-I402 HydrophobicContact CH2-CG2 4.09Å; W330-I402 HydrophobicContact CZ2-CD1 4.19Å; W330-I402 HydrophobicContact CZ2-CG2 4.41Å; W330-I402 HydrophobicContact CZ3-CD1 4.14Å; W330-I402 HydrophobicContact CZ3-CG2 4.36Å; W330-I402 WeakPolarHBondContact O-CD1 3.47Å; L331-I402 HydrophobicContact CD2-CD1 4.42Å; L398-I402 WeakPolarHBondContact O-CG1 3.24Å; L398-I402 PolarHBondContact O-N 3.21Å; L398-I402 VanDerWaalsContact O-N 3.08Å; Q399-I402 PolarHBondContact O-N 3.18Å; I402-N404 VanDerWaalsContact C-N 3.32Å; I402-N404 PolarHBondContact O-N 3.28Å; I402-H405 PolarHBondContact O-N 2.79Å; I402-H405 VanDerWaalsContact O-N 3.16Å; I402-I406 HydrophobicContact CG2-CD1 3.75Å; I402-I406 HydrophobicContact CG2-CG1 4.45Å; I402-I406 WeakPolarHBondContact O-CG1 3.46Å; I402-I406 PolarHBondContact O-N 3.31Å
403	R	98.8	Very high	98.7	Very high	90 Å²	90	44 Å²	44	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-42.8	-179.3	-73.8	169.4	178.2	134.7	5.7	112.1	E309 Q399 A400 Y401 H405 I406 E407	E309-R403 VanDerWaalsContact CD-NH2 3.3Å; E309-R403 IonicContact OE1-CZ 2.7Å; E309-R403 IonicContact OE1-NE 2.86Å; E309-R403 PolarHBondContact OE1-NE 3.11Å; E309-R403 IonicContact OE1-NH2 2.73Å; E309-R403 PolarHBondContact OE1-NH2 3.14Å; E309-R403 IonicContact OE2-CZ 3.57Å; E309-R403 IonicContact OE2-NH2 3.23Å; E309-R403 PolarHBondContact OE2-NH2 3.28Å; Q399-R403 WeakPolarHBondContact O-CB 3.46Å; Q399-R403 VanDerWaalsContact O-CG 3.3Å; Q399-R403 WeakPolarHBondContact O-CG 3.28Å; Q399-R403 PolarHBondContact O-N 3.44Å; A400-R403 PolarHBondContact O-N 2.93Å; Y401-R403 PolarHBondContact O-N 2.95Å; R403-H405 PolarHBondContact O-N 3.22Å; R403-I406 PolarHBondContact O-N 2.9Å; R403-E407 WeakPolarHBondContact O-CB 3.44Å; R403-E407 PolarHBondContact O-N 2.66Å
404	N	98.8	Very high	98.7	Very high	59 Å²	59	47.3 Å²	47.3	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-44	176.7	-178.5	71.1	0	0	0	111.8	A400 Y401 I402 I406 E407 L408 P482	A400-N404 WeakPolarHBondContact O-CB 3.49Å; A400-N404 PolarHBondContact O-N 2.78Å; Y401-N404 PolarHBondContact O-N 2.7Å; I402-N404 VanDerWaalsContact C-N 3.32Å; I402-N404 PolarHBondContact O-N 3.28Å; N404-I406 VanDerWaalsContact C-N 3.33Å; N404-I406 PolarHBondContact O-N 2.92Å; N404-E407 PolarHBondContact O-N 3.1Å; N404-L408 WeakPolarHBondContact O-CB 3.2Å; N404-L408 VanDerWaalsContact O-CG 3.28Å; N404-L408 WeakPolarHBondContact O-CG 3.43Å; N404-L408 PolarHBondContact O-N 2.69Å; N404-P482 PolarHBondContact ND2-O 3.35Å; N404-P482 VanDerWaalsContact ND2-O 3.1Å
405	H	98.8	Very high	98.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-39.1	177.2	-80.3	-132	0	0	0	112.2	W330 Y401 I402 R403 A409 I477 Y479 P482	W330-H405 AromaticContact CD1-ND1 3.88Å; W330-H405 HydrophobicContact CZ2-CB 3.52Å; W330-H405 AromaticContact NE1-CE1 3.83Å; W330-H405 AromaticContact NE1-CG 3.43Å; W330-H405 AromaticContact NE1-ND1 3.06Å; W330-H405 PolarHBondContact NE1-ND1 3.38Å; Y401-H405 AromaticContact CD2-CD2 3.99Å; Y401-H405 AromaticContact CD2-NE2 3.7Å; Y401-H405 AromaticContact CE2-CD2 3.7Å; Y401-H405 AromaticContact CE2-CE1 3.63Å; Y401-H405 AromaticContact CE2-NE2 3Å; Y401-H405 WeakPolarHBondContact CE2-NE2 3.1Å; Y401-H405 AromaticContact CZ-CE1 3.62Å; Y401-H405 AromaticContact CZ-NE2 3.47Å; Y401-H405 PolarHBondContact O-CD2 2.99Å; Y401-H405 VanDerWaalsContact O-CD2 3.28Å; Y401-H405 PolarHBondContact O-N 3.48Å; Y401-H405 PolarHBondContact OH-CE1 3.45Å; I402-H405 PolarHBondContact O-N 2.79Å; I402-H405 VanDerWaalsContact O-N 3.16Å; R403-H405 PolarHBondContact O-N 3.22Å; H405-A409 PolarHBondContact O-N 3.11Å; H405-A409 VanDerWaalsContact O-N 3.07Å; H405-I477 HydrophobicContact CB-CB 4.26Å; H405-I477 HydrophobicContact CB-CG2 4.03Å; H405-I477 PolarHBondContact ND1-O 3.32Å; H405-I477 WeakPolarHBondContact O-CG1 3.5Å; H405-Y479 PolarHBondContact CE1-O 3.28Å; H405-Y479 PolarHBondContact NE2-O 3.16Å; H405-Y479 VanDerWaalsContact NE2-O 3.14Å; H405-P482 WeakPolarHBondContact NE2-CD 3.46Å; H405-P482 WeakPolarHBondContact NE2-CG 3.12Å
406	I	98.8	Very high	98.8	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-69.3	-42.8	178	-62.1	173.9	0	0	0	110.7	Y310 W330 I402 R403 N404 L408 A409 H410 M430	Y310-I406 HydrophobicContact CD2-CD1 4.05Å; Y310-I406 HydrophobicContact CE1-CD1 4.08Å; Y310-I406 HydrophobicContact CE2-CD1 3.34Å; Y310-I406 WeakPolarHBondContact OH-CD1 3.36Å; Y310-I406 WeakPolarHBondContact OH-CG2 3.4Å; W330-I406 HydrophobicContact CH2-CD1 3.85Å; W330-I406 HydrophobicContact CH2-CG1 3.59Å; W330-I406 HydrophobicContact CZ2-CG1 4.03Å; I402-I406 HydrophobicContact CG2-CD1 3.75Å; I402-I406 HydrophobicContact CG2-CG1 4.45Å; I402-I406 WeakPolarHBondContact O-CG1 3.46Å; I402-I406 PolarHBondContact O-N 3.31Å; R403-I406 PolarHBondContact O-N 2.9Å; N404-I406 VanDerWaalsContact C-N 3.33Å; N404-I406 PolarHBondContact O-N 2.92Å; I406-L408 VanDerWaalsContact C-N 3.31Å; I406-L408 PolarHBondContact O-N 3.45Å; I406-A409 PolarHBondContact O-N 3.48Å; I406-H410 PolarHBondContact O-CD2 3.42Å; I406-H410 PolarHBondContact O-N 3.12Å; I406-M430 HydrophobicContact CD1-SD 3.82Å
407	E	98.8	Very high	98.7	Very high	111 Å²	111	44.1 Å²	44.1	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-43.4	175.2	-175.1	-176.8	161.8	0	0	111.5	R403 N404 H410 Y411	R403-E407 WeakPolarHBondContact O-CB 3.44Å; R403-E407 PolarHBondContact O-N 2.66Å; N404-E407 PolarHBondContact O-N 3.1Å; E407-H410 PolarHBondContact O-N 2.74Å; E407-Y411 PolarHBondContact O-N 3.02Å
408	L	98.9	Very high	98.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-30.2	178.5	-69	173.9	0	0	0	113.3	N404 I406 Y411 F412 I477 P482 K484 I487	N404-L408 WeakPolarHBondContact O-CB 3.2Å; N404-L408 VanDerWaalsContact O-CG 3.28Å; N404-L408 WeakPolarHBondContact O-CG 3.43Å; N404-L408 PolarHBondContact O-N 2.69Å; I406-L408 VanDerWaalsContact C-N 3.31Å; I406-L408 PolarHBondContact O-N 3.45Å; L408-Y411 PolarHBondContact O-N 3.4Å; L408-F412 PolarHBondContact O-N 3.27Å; L408-I477 HydrophobicContact CB-CD1 4.42Å; L408-I477 HydrophobicContact CB-CG1 4.46Å; L408-P482 VanDerWaalsContact CD1-C 3.47Å; L408-P482 HydrophobicContact CD1-CB 3.61Å; L408-P482 HydrophobicContact CD1-CG 3.71Å; L408-P482 WeakPolarHBondContact CD1-O 3.32Å; L408-K484 HydrophobicContact CD2-CB 4.49Å; L408-K484 HydrophobicContact CD2-CG 3.74Å; L408-I487 HydrophobicContact CB-CD1 4.29Å; L408-I487 HydrophobicContact CB-CG1 4.09Å; L408-I487 HydrophobicContact CD2-CG1 3.99Å; L408-I487 HydrophobicContact CG-CG1 4.45Å
409	A	98.9	Very high	98.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-42.9	171.3	0	0	0	0	0	111.5	H405 I406 Y411 F412 E413 V428 M430 V433 I477	H405-A409 PolarHBondContact O-N 3.11Å; H405-A409 VanDerWaalsContact O-N 3.07Å; I406-A409 PolarHBondContact O-N 3.48Å; A409-Y411 VanDerWaalsContact C-N 3.33Å; A409-Y411 PolarHBondContact O-N 3.15Å; A409-F412 PolarHBondContact O-N 3.25Å; A409-E413 WeakPolarHBondContact O-CB 3.45Å; A409-E413 PolarHBondContact O-N 3.12Å; A409-V428 HydrophobicContact CB-CG1 4.24Å; A409-M430 VanDerWaalsContact CB-O 3.28Å; A409-M430 WeakPolarHBondContact CB-O 3.39Å; A409-V433 HydrophobicContact CB-CG2 4.06Å; A409-V433 VanDerWaalsContact O-CG2 3.28Å; A409-V433 WeakPolarHBondContact O-CG2 3.29Å; A409-I477 HydrophobicContact CB-CG1 3.9Å
410	H	98.8	Very high	98.6	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-36.8	172.6	-76.1	-60.9	0	0	0	112.5	I406 E407 F412 E413 E414 V428	I406-H410 PolarHBondContact O-CD2 3.42Å; I406-H410 PolarHBondContact O-N 3.12Å; E407-H410 PolarHBondContact O-N 2.74Å; H410-F412 PolarHBondContact O-N 2.82Å; H410-E413 IonicContact CE1-OE2 2.73Å; H410-E413 IonicContact ND1-OE2 2.76Å; H410-E413 PolarHBondContact ND1-OE2 3.18Å; H410-E413 WeakPolarHBondContact O-CB 3.41Å; H410-E413 PolarHBondContact O-N 2.9Å; H410-E414 WeakPolarHBondContact O-CG 3.23Å; H410-E414 PolarHBondContact O-N 3.31Å; H410-V428 PolarHBondContact CE1-O 3.14Å
411	Y	98.8	Very high	98.6	Very high	47 Å²	47	49 Å²	49	18%	0.184	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-42.9	172.9	-180	-116.5	0	0	0	111.9	E407 L408 A409 E413 E414 L415 K484 I487 D488	E407-Y411 PolarHBondContact O-N 3.02Å; L408-Y411 PolarHBondContact O-N 3.4Å; A409-Y411 VanDerWaalsContact C-N 3.33Å; A409-Y411 PolarHBondContact O-N 3.15Å; Y411-E413 VanDerWaalsContact C-N 3.34Å; Y411-E414 WeakPolarHBondContact O-CB 3.49Å; Y411-E414 PolarHBondContact O-N 3.31Å; Y411-L415 HydrophobicContact CD1-CD1 4.35Å; Y411-L415 HydrophobicContact CE1-CD1 3.89Å; Y411-L415 WeakPolarHBondContact O-CG 3.42Å; Y411-L415 PolarHBondContact O-N 3.29Å; Y411-L415 VanDerWaalsContact O-N 3.15Å; Y411-K484 HydrophobicContact CD1-CB 4.33Å; Y411-K484 HydrophobicContact CD1-CD 4.35Å; Y411-K484 HydrophobicContact CD1-CG 3.99Å; Y411-K484 HydrophobicContact CE1-CB 3.97Å; Y411-K484 HydrophobicContact CE1-CD 4.25Å; Y411-K484 HydrophobicContact CE1-CG 4.04Å; Y411-K484 HydrophobicContact CE2-CD 4.42Å; Y411-K484 HydrophobicContact CG-CD 4.49Å; Y411-K484 HydrophobicContact CG-CG 4.48Å; Y411-I487 HydrophobicContact CD1-CB 4.05Å; Y411-I487 HydrophobicContact CD1-CG2 3.86Å; Y411-I487 HydrophobicContact CE1-CB 4.28Å; Y411-I487 HydrophobicContact CE1-CG2 4.27Å; Y411-D488 VanDerWaalsContact CE1-OD1 3.22Å; Y411-D488 WeakPolarHBondContact CE1-OD1 3.48Å; Y411-D488 VanDerWaalsContact CZ-OD1 3.29Å; Y411-D488 PolarHBondContact OH-OD1 3.27Å
412	F	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-39.6	172.8	-174.9	-102.5	0	0	0	112.2	L408 A409 H410 E414 L415 I416 V433 F435 F475 I487 I494	L408-F412 PolarHBondContact O-N 3.27Å; A409-F412 PolarHBondContact O-N 3.25Å; H410-F412 PolarHBondContact O-N 2.82Å; F412-E414 VanDerWaalsContact C-N 3.35Å; F412-E414 PolarHBondContact O-N 2.84Å; F412-L415 PolarHBondContact O-N 2.73Å; F412-I416 HydrophobicContact CD1-CG1 3.98Å; F412-I416 HydrophobicContact CE1-CD1 4.04Å; F412-I416 HydrophobicContact CE1-CG1 3.56Å; F412-I416 HydrophobicContact CE2-CD1 4.31Å; F412-I416 HydrophobicContact CE2-CG1 4.3Å; F412-I416 HydrophobicContact CZ-CD1 3.74Å; F412-I416 HydrophobicContact CZ-CG1 3.74Å; F412-I416 WeakPolarHBondContact O-CG1 2.87Å; F412-I416 PolarHBondContact O-N 2.95Å; F412-V433 HydrophobicContact CD1-CB 3.72Å; F412-V433 HydrophobicContact CD1-CG1 3.83Å; F412-V433 HydrophobicContact CD1-CG2 3.87Å; F412-V433 HydrophobicContact CE1-CB 4.14Å; F412-V433 HydrophobicContact CE1-CG1 4.11Å; F412-F435 AromaticContact CE1-CD1 3.96Å; F412-F435 HydrophobicContact CE1-CD1 3.96Å; F412-F435 HydrophobicContact CE1-CE1 4.1Å; F412-F435 HydrophobicContact CZ-CD1 4.31Å; F412-F435 HydrophobicContact CZ-CE1 4.04Å; F412-F435 HydrophobicContact CZ-CZ 4.48Å; F412-F475 HydrophobicContact CB-CD1 4.28Å; F412-F475 HydrophobicContact CB-CE1 4.11Å; F412-F475 HydrophobicContact CD1-CB 4.12Å; F412-F475 AromaticContact CD1-CD1 3.51Å; F412-F475 HydrophobicContact CD1-CD1 3.51Å; F412-F475 HydrophobicContact CD1-CE1 4.05Å; F412-F475 AromaticContact CD1-CG 3.85Å; F412-F475 HydrophobicContact CD1-CG 3.85Å; F412-F475 HydrophobicContact CD2-CD1 4.02Å; F412-F475 AromaticContact CD2-CE1 3.76Å; F412-F475 HydrophobicContact CD2-CE1 3.76Å; F412-F475 HydrophobicContact CD2-CE2 4.37Å; F412-F475 HydrophobicContact CD2-CG 4.41Å; F412-F475 AromaticContact CD2-CZ 3.97Å; F412-F475 HydrophobicContact CD2-CZ 3.97Å; F412-F475 HydrophobicContact CE1-CB 3.57Å; F412-F475 AromaticContact CE1-CD1 3.72Å; F412-F475 HydrophobicContact CE1-CD1 3.72Å; F412-F475 HydrophobicContact CE1-CD2 4.11Å; F412-F475 HydrophobicContact CE1-CE1 4.42Å; F412-F475 AromaticContact CE1-CG 3.53Å; F412-F475 HydrophobicContact CE1-CG 3.53Å; F412-F475 HydrophobicContact CE2-CD1 4.2Å; F412-F475 AromaticContact CE2-CD2 4Å; F412-F475 HydrophobicContact CE2-CD2 4Å; F412-F475 HydrophobicContact CE2-CE1 4.15Å; F412-F475 AromaticContact CE2-CE2 4Å; F412-F475 HydrophobicContact CE2-CE2 4Å; F412-F475 HydrophobicContact CE2-CG 4.12Å; F412-F475 HydrophobicContact CE2-CZ 4.07Å; F412-F475 AromaticContact CG-CD1 3.66Å; F412-F475 HydrophobicContact CG-CD1 3.66Å; F412-F475 AromaticContact CG-CE1 3.69Å; F412-F475 HydrophobicContact CG-CE1 3.69Å; F412-F475 HydrophobicContact CG-CG 4.28Å; F412-F475 HydrophobicContact CG-CZ 4.37Å; F412-F475 HydrophobicContact CZ-CB 4.02Å; F412-F475 HydrophobicContact CZ-CD1 4.06Å; F412-F475 AromaticContact CZ-CD2 3.75Å; F412-F475 HydrophobicContact CZ-CD2 3.75Å; F412-F475 HydrophobicContact CZ-CE1 4.46Å; F412-F475 HydrophobicContact CZ-CE2 4.23Å; F412-F475 AromaticContact CZ-CG 3.67Å; F412-F475 HydrophobicContact CZ-CG 3.67Å; F412-I487 HydrophobicContact CB-CG2 3.64Å; F412-I487 HydrophobicContact CD2-CG2 3.74Å; F412-I487 HydrophobicContact CG-CG2 4.16Å; F412-I494 HydrophobicContact CE2-CD1 4.03Å; F412-I494 HydrophobicContact CZ-CD1 3.8Å
413	E	98.8	Very high	98.6	Very high	28 Å²	28	50.7 Å²	50.7	13%	0.131	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-46.1	173.5	-176.4	-169	-172.5	0	0	111.6	A409 H410 Y411 L415 I416 R417 I424 V428 V433	A409-E413 WeakPolarHBondContact O-CB 3.45Å; A409-E413 PolarHBondContact O-N 3.12Å; H410-E413 IonicContact CE1-OE2 2.73Å; H410-E413 IonicContact ND1-OE2 2.76Å; H410-E413 PolarHBondContact ND1-OE2 3.18Å; H410-E413 WeakPolarHBondContact O-CB 3.41Å; H410-E413 PolarHBondContact O-N 2.9Å; Y411-E413 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 3.38Å; E413-I416 PolarHBondContact O-N 2.9Å; E413-R417 HydrophobicContact CG-CG 4.38Å; E413-R417 WeakPolarHBondContact O-CB 3.28Å; E413-R417 WeakPolarHBondContact O-CG 3.26Å; E413-R417 PolarHBondContact O-N 3.26Å; E413-R417 IonicContact OE1-CZ 2.8Å; E413-R417 VanDerWaalsContact OE1-CZ 3.23Å; E413-R417 IonicContact OE1-NE 3.54Å; E413-R417 PolarHBondContact OE1-NE 2.87Å; E413-R417 IonicContact OE1-NH2 3.49Å; E413-R417 PolarHBondContact OE1-NH2 3.34Å; E413-I424 HydrophobicContact CG-CD1 4.11Å; E413-I424 HydrophobicContact CG-CG1 4.19Å; E413-V428 HydrophobicContact CB-CG2 4.17Å; E413-V428 HydrophobicContact CG-CB 4.49Å; E413-V428 HydrophobicContact CG-CG2 3.9Å; E413-V433 HydrophobicContact CB-CG2 4.5Å
414	E	98.7	Very high	98.5	Very high	126 Å²	126	47.6 Å²	47.6	59%	0.589	23%	0.234	S	C	*	.	H	α-helix	trans	-58.1	-45.4	176.1	-72.6	174	178.3	0	0	111.7	H410 Y411 F412 R417 A418	H410-E414 WeakPolarHBondContact O-CG 3.23Å; H410-E414 PolarHBondContact O-N 3.31Å; Y411-E414 WeakPolarHBondContact O-CB 3.49Å; Y411-E414 PolarHBondContact O-N 3.31Å; F412-E414 VanDerWaalsContact C-N 3.35Å; F412-E414 PolarHBondContact O-N 2.84Å; E414-R417 PolarHBondContact O-N 3.5Å; E414-A418 WeakPolarHBondContact O-CB 3.48Å; E414-A418 PolarHBondContact O-N 2.89Å
415	L	98.7	Very high	98.4	Very high	33 Å²	33	45.9 Å²	45.9	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-45.2	177.2	-67.1	173.7	0	0	0	112	Y411 F412 E413 A418 D419 I487 Y491	Y411-L415 HydrophobicContact CD1-CD1 4.35Å; Y411-L415 HydrophobicContact CE1-CD1 3.89Å; Y411-L415 WeakPolarHBondContact O-CG 3.42Å; Y411-L415 PolarHBondContact O-N 3.29Å; Y411-L415 VanDerWaalsContact O-N 3.15Å; F412-L415 PolarHBondContact O-N 2.73Å; E413-L415 PolarHBondContact O-N 3.38Å; L415-A418 PolarHBondContact O-N 2.86Å; L415-D419 PolarHBondContact O-N 3.45Å; L415-I487 HydrophobicContact CD1-CG2 4.26Å; L415-Y491 HydrophobicContact CB-CD1 4.31Å; L415-Y491 HydrophobicContact CB-CD2 3.93Å; L415-Y491 HydrophobicContact CB-CE1 4.44Å; L415-Y491 HydrophobicContact CB-CE2 4.1Å; L415-Y491 HydrophobicContact CB-CG 4.05Å; L415-Y491 HydrophobicContact CD1-CD1 4.15Å; L415-Y491 HydrophobicContact CD1-CG 3.99Å; L415-Y491 HydrophobicContact CD2-CD1 4.43Å; L415-Y491 HydrophobicContact CD2-CE1 4.49Å
416	I	98.7	Very high	98.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-41	178.8	-67.7	-64.7	0	0	0	111.5	F412 E413 A418 D419 F422 I424 F435 Y491	F412-I416 HydrophobicContact CD1-CG1 3.98Å; F412-I416 HydrophobicContact CE1-CD1 4.04Å; F412-I416 HydrophobicContact CE1-CG1 3.56Å; F412-I416 HydrophobicContact CE2-CD1 4.31Å; F412-I416 HydrophobicContact CE2-CG1 4.3Å; F412-I416 HydrophobicContact CZ-CD1 3.74Å; F412-I416 HydrophobicContact CZ-CG1 3.74Å; F412-I416 WeakPolarHBondContact O-CG1 2.87Å; F412-I416 PolarHBondContact O-N 2.95Å; E413-I416 PolarHBondContact O-N 2.9Å; I416-A418 VanDerWaalsContact C-N 3.32Å; I416-A418 PolarHBondContact O-N 3.45Å; I416-D419 PolarHBondContact O-N 3.44Å; I416-F422 HydrophobicContact CD1-CD2 4.3Å; I416-F422 HydrophobicContact CG2-CB 3.76Å; I416-I424 HydrophobicContact CB-CD1 3.97Å; I416-I424 HydrophobicContact CG2-CD1 3.51Å; I416-I424 HydrophobicContact CG2-CG1 4.2Å; I416-F435 HydrophobicContact CD1-CD2 3.92Å; I416-F435 HydrophobicContact CD1-CE2 4.26Å; I416-F435 HydrophobicContact CD1-CG 4.17Å; I416-F435 HydrophobicContact CG1-CG 4.47Å; I416-F435 HydrophobicContact CG2-CB 3.86Å; I416-F435 HydrophobicContact CG2-CG 4.47Å; I416-Y491 HydrophobicContact CD1-CD2 4.05Å; I416-Y491 HydrophobicContact CD1-CE2 4.17Å
417	R	98.3	Very high	98.1	Very high	145 Å²	145	52.2 Å²	52.2	55%	0.547	26%	0.259	S	S	.	.	H	α-helix	trans	-68.2	-30.7	178.1	-73	-176.6	-175.8	-69	-0.9	112.9	E413 E414 D419 I424	E413-R417 HydrophobicContact CG-CG 4.38Å; E413-R417 WeakPolarHBondContact O-CB 3.28Å; E413-R417 WeakPolarHBondContact O-CG 3.26Å; E413-R417 PolarHBondContact O-N 3.26Å; E413-R417 IonicContact OE1-CZ 2.8Å; E413-R417 VanDerWaalsContact OE1-CZ 3.23Å; E413-R417 IonicContact OE1-NE 3.54Å; E413-R417 PolarHBondContact OE1-NE 2.87Å; E413-R417 IonicContact OE1-NH2 3.49Å; E413-R417 PolarHBondContact OE1-NH2 3.34Å; E414-R417 PolarHBondContact O-N 3.5Å; R417-D419 PolarHBondContact O-N 2.85Å; R417-I424 HydrophobicContact CG-CG1 3.8Å
418	A	98.4	Very high	98.1	Very high	84 Å²	84	47.3 Å²	47.3	69%	0.694	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.7	175.7	0	0	0	0	0	113.2	E414 L415 I416	E414-A418 WeakPolarHBondContact O-CB 3.48Å; E414-A418 PolarHBondContact O-N 2.89Å; L415-A418 PolarHBondContact O-N 2.86Å; I416-A418 VanDerWaalsContact C-N 3.32Å; I416-A418 PolarHBondContact O-N 3.45Å
419	D	98.2	Very high	98	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.08	24%	0.243	C	C	.	.			trans	-98.2	109.9	179.4	-170.7	-24	0	0	0	111.5	L415 I416 R417 R421 F422 Y491	L415-D419 PolarHBondContact O-N 3.45Å; I416-D419 PolarHBondContact O-N 3.44Å; R417-D419 PolarHBondContact O-N 2.85Å; D419-R421 PolarHBondContact O-N 3.18Å; D419-R421 VanDerWaalsContact OD1-CB 3.31Å; D419-R421 WeakPolarHBondContact OD1-CB 3.15Å; D419-R421 WeakPolarHBondContact OD1-CG 3.42Å; D419-R421 IonicContact OD1-CZ 3.26Å; D419-R421 PolarHBondContact OD1-N 3.38Å; D419-R421 IonicContact OD1-NE 3.2Å; D419-R421 PolarHBondContact OD1-NE 3.22Å; D419-R421 IonicContact OD1-NH2 2.62Å; D419-R421 IonicContact OD2-CZ 2.64Å; D419-R421 VanDerWaalsContact OD2-CZ 3.26Å; D419-R421 IonicContact OD2-NE 3.67Å; D419-R421 PolarHBondContact OD2-NE 3.25Å; D419-R421 IonicContact OD2-NH2 3.69Å; D419-R421 PolarHBondContact OD2-NH2 2.88Å; D419-F422 HydrophobicContact CB-CD2 3.86Å; D419-F422 PolarHBondContact O-N 3.17Å; D419-F422 WeakPolarHBondContact OD2-CD2 3.37Å; D419-F422 VanDerWaalsContact OD2-CE2 3.29Å; D419-F422 WeakPolarHBondContact OD2-CE2 3.49Å; D419-Y491 PolarHBondContact OD2-OH 2.74Å
420	D	97.5	Very high	98	Very high	133 Å²	133	48.6 Å²	48.6	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.5	-176.5	-78.3	-37.1	0	0	0	115.1	K438	D420-K438 VanDerWaalsContact O-CD 3.23Å; D420-K438 WeakPolarHBondContact O-CD 3.02Å; D420-K438 WeakPolarHBondContact O-CE 3.39Å; D420-K438 PolarHBondContact O-NZ 3.46Å; D420-K438 IonicContact OD1-NZ 2.67Å
421	R	98	Very high	98	Very high	60 Å²	60	45.4 Å²	45.4	23%	0.226	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.6	176.6	-60.4	173.1	-70.6	173.9	-6.8	113	D419 I437 K438 S495 L502	D419-R421 PolarHBondContact O-N 3.18Å; D419-R421 VanDerWaalsContact OD1-CB 3.31Å; D419-R421 WeakPolarHBondContact OD1-CB 3.15Å; D419-R421 WeakPolarHBondContact OD1-CG 3.42Å; D419-R421 IonicContact OD1-CZ 3.26Å; D419-R421 PolarHBondContact OD1-N 3.38Å; D419-R421 IonicContact OD1-NE 3.2Å; D419-R421 PolarHBondContact OD1-NE 3.22Å; D419-R421 IonicContact OD1-NH2 2.62Å; D419-R421 IonicContact OD2-CZ 2.64Å; D419-R421 VanDerWaalsContact OD2-CZ 3.26Å; D419-R421 IonicContact OD2-NE 3.67Å; D419-R421 PolarHBondContact OD2-NE 3.25Å; D419-R421 IonicContact OD2-NH2 3.69Å; D419-R421 PolarHBondContact OD2-NH2 2.88Å; R421-I437 WeakPolarHBondContact O-CA 3.39Å; R421-K438 PolarHBondContact O-N 2.82Å; R421-S495 PolarHBondContact NH1-O 3.01Å; R421-S495 PolarHBondContact NH2-OG 3.24Å; R421-L502 HydrophobicContact CG-CD1 3.98Å
422	F	98.6	Very high	98	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	157.1	-170.3	-60.5	-69.7	0	0	0	113.5	I416 D419 F435 R436 I437 K438 L447 I494 C498	I416-F422 HydrophobicContact CD1-CD2 4.3Å; I416-F422 HydrophobicContact CG2-CB 3.76Å; D419-F422 HydrophobicContact CB-CD2 3.86Å; D419-F422 PolarHBondContact O-N 3.17Å; D419-F422 WeakPolarHBondContact OD2-CD2 3.37Å; D419-F422 VanDerWaalsContact OD2-CE2 3.29Å; D419-F422 WeakPolarHBondContact OD2-CE2 3.49Å; F422-F435 AromaticContact CD1-CD2 3.95Å; F422-F435 HydrophobicContact CD1-CD2 3.95Å; F422-F435 HydrophobicContact CD1-CE2 4.26Å; F422-F435 HydrophobicContact CE1-CD2 4.3Å; F422-F435 HydrophobicContact CE1-CE2 4.14Å; F422-F435 HydrophobicContact CG-CD2 4.44Å; F422-R436 CarbonylContact C-O 3.56Å; F422-R436 VanDerWaalsContact CA-O 3.23Å; F422-R436 WeakPolarHBondContact CA-O 2.98Å; F422-R436 WeakPolarHBondContact CD1-O 3.23Å; F422-I437 HydrophobicContact CD1-CG1 4.08Å; F422-I437 HydrophobicContact CE1-CG1 3.82Å; F422-K438 WeakPolarHBondContact O-CE 3.24Å; F422-K438 WeakPolarHBondContact O-CG 3.31Å; F422-L447 HydrophobicContact CE1-CD2 3.67Å; F422-L447 HydrophobicContact CZ-CD2 4.17Å; F422-I494 HydrophobicContact CE1-CG2 4.35Å; F422-I494 HydrophobicContact CE2-CG2 4.41Å; F422-I494 HydrophobicContact CZ-CG2 3.8Å; F422-C498 HydrophobicContact CE1-CB 4.28Å; F422-C498 HydrophobicContact CE2-CB 4.47Å; F422-C498 HydrophobicContact CZ-CB 3.6Å; F422-C498 VanDerWaalsContact CZ-SG 3.54Å
423	E	98	Very high	98	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.1	167.7	59.9	-173.6	165.1	0	0	111	F435 R436 K438 D439	E423-F435 VanDerWaalsContact O-CA 3.25Å; E423-F435 WeakPolarHBondContact O-CA 3.34Å; E423-R436 HydrophobicContact CG-CG 3.49Å; E423-R436 VanDerWaalsContact CG-CG 3.49Å; E423-R436 PolarHBondContact N-O 2.79Å; E423-R436 PolarHBondContact O-N 3.22Å; E423-R436 WeakPolarHBondContact OE1-CD 3.25Å; E423-R436 WeakPolarHBondContact OE1-CG 3.33Å; E423-R436 IonicContact OE1-CZ 2.76Å; E423-R436 IonicContact OE1-NE 3.26Å; E423-R436 IonicContact OE1-NH1 3.79Å; E423-R436 PolarHBondContact OE1-NH1 2.83Å; E423-K438 HydrophobicContact CB-CG 4Å; E423-K438 HydrophobicContact CG-CG 4.29Å; E423-D439 PolarHBondContact OE1-N 2.9Å
424	I	98.1	Very high	98	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.5	170.9	-61.4	-64.9	0	0	0	108.7	E413 I416 R417 A426 V428 V433 F435	E413-I424 HydrophobicContact CG-CD1 4.11Å; E413-I424 HydrophobicContact CG-CG1 4.19Å; I416-I424 HydrophobicContact CB-CD1 3.97Å; I416-I424 HydrophobicContact CG2-CD1 3.51Å; I416-I424 HydrophobicContact CG2-CG1 4.2Å; R417-I424 HydrophobicContact CG-CG1 3.8Å; I424-A426 WeakPolarHBondContact CG2-O 3.43Å; I424-V428 HydrophobicContact CG2-CG2 4.37Å; I424-V433 HydrophobicContact CD1-CG1 3.58Å; I424-F435 HydrophobicContact CD1-CB 4.31Å
425	V	96.1	Very high	98	Very high	24 Å²	24	36.3 Å²	36.3	15%	0.145	19%	0.188	C	C	.	.			trans	-87.4	-34.9	-174.1	168.9	0	0	0	0	113	Y241 C434 R436 L470 F472	Y241-V425 HydrophobicContact CE2-CG1 4.43Å; V425-C434 HydrophobicContact CB-CB 4Å; V425-C434 PolarHBondContact N-O 2.93Å; V425-R436 HydrophobicContact CG2-CB 4.43Å; V425-R436 HydrophobicContact CG2-CG 3.83Å; V425-L470 HydrophobicContact CG1-CD2 3.66Å; V425-L470 HydrophobicContact CG1-CG 4.47Å; V425-F472 HydrophobicContact CB-CG 4.45Å; V425-F472 HydrophobicContact CG1-CD1 3.98Å; V425-F472 HydrophobicContact CG1-CE1 4.19Å; V425-F472 HydrophobicContact CG1-CG 4.22Å; V425-F472 HydrophobicContact CG2-CB 3.73Å; V425-F472 HydrophobicContact CG2-CD1 4.46Å; V425-F472 HydrophobicContact CG2-CG 4.13Å
426	A	95.2	Very high	98	Very high	18 Å²	18	35.2 Å²	35.2	15%	0.149	18%	0.181	C	C	.	.	S	Bend	trans	-142.2	160.1	-176.2	0	0	0	0	0	110.7	Y241 T274 I424 V428	Y241-A426 HydrophobicContact CD2-CB 4.18Å; Y241-A426 HydrophobicContact CE2-CB 4.18Å; T274-A426 HydrophobicContact CG2-CB 3.91Å; I424-A426 WeakPolarHBondContact CG2-O 3.43Å; A426-V428 PolarHBondContact O-N 2.9Å
427	E	96.6	Very high	97.9	Very high	118 Å²	118	35.7 Å²	35.7	55%	0.551	18%	0.184	S	C	*	.			trans	-58.5	129.6	176.2	-170.8	179.3	-170.8	0	0	111	L429	E427-L429 HydrophobicContact CG-CD2 4.07Å; E427-L429 HydrophobicContact CG-CG 3.97Å; E427-L429 PolarHBondContact O-N 2.92Å
428	V	98.2	Very high	97.9	Very high	7 Å²	7	33 Å²	33	4%	0.042	18%	0.176	C	C	.	.			trans	-87.5	105.3	176.4	-179.1	0	0	0	0	108	A409 H410 E413 I424 A426 V433	A409-V428 HydrophobicContact CB-CG1 4.24Å; H410-V428 PolarHBondContact CE1-O 3.14Å; E413-V428 HydrophobicContact CB-CG2 4.17Å; E413-V428 HydrophobicContact CG-CB 4.49Å; E413-V428 HydrophobicContact CG-CG2 3.9Å; I424-V428 HydrophobicContact CG2-CG2 4.37Å; A426-V428 PolarHBondContact O-N 2.9Å; V428-V433 HydrophobicContact CG1-CG2 3.95Å; V428-V433 HydrophobicContact CG2-CB 4.33Å; V428-V433 HydrophobicContact CG2-CG1 4.04Å; V428-V433 HydrophobicContact CG2-CG2 4Å
429	L	97.2	Very high	97.6	Very high	31 Å²	31	34.8 Å²	34.8	16%	0.162	17%	0.174	C	C	.	.			trans	-110.6	-20.4	178.9	-70.7	174.6	0	0	0	113.5	F277 L313 E427	F277-L429 HydrophobicContact CD2-CD1 3.65Å; F277-L429 HydrophobicContact CE2-CB 4.05Å; F277-L429 HydrophobicContact CE2-CD1 3.74Å; L313-L429 HydrophobicContact CD2-CD1 4.38Å; E427-L429 HydrophobicContact CG-CD2 4.07Å; E427-L429 HydrophobicContact CG-CG 3.97Å; E427-L429 PolarHBondContact O-N 2.92Å
430	M	98.3	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-137.8	-160.5	-171.6	-64.1	-65.2	166.3	0	0	109.7	F277 Y300 S304 Y310 L313 W330 I406 A409 L432	F277-M430 HydrophobicContact CE1-CE 4.31Å; F277-M430 HydrophobicContact CE2-CG 4.29Å; F277-M430 HydrophobicContact CZ-CE 3.69Å; F277-M430 HydrophobicContact CZ-CG 3.85Å; Y300-M430 HydrophobicContact CE1-CB 3.94Å; S304-M430 VanDerWaalsContact CB-SD 3.55Å; S304-M430 VanDerWaalsContact OG-CE 3.24Å; S304-M430 WeakPolarHBondContact OG-CE 3.25Å; Y310-M430 HydrophobicContact CD1-CE 3.99Å; Y310-M430 HydrophobicContact CG-CE 4.07Å; L313-M430 HydrophobicContact CD1-CE 3.22Å; W330-M430 HydrophobicContact CH2-CB 4.26Å; W330-M430 HydrophobicContact CH2-SD 4.23Å; W330-M430 HydrophobicContact CZ3-CB 4.4Å; W330-M430 HydrophobicContact CZ3-SD 4.04Å; I406-M430 HydrophobicContact CD1-SD 3.82Å; A409-M430 VanDerWaalsContact CB-O 3.28Å; A409-M430 WeakPolarHBondContact CB-O 3.39Å; M430-L432 PolarHBondContact O-N 3.33Å
431	G	98.5	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-77.3	31.3	177.8	0	0	0	0	0	115.5	Y300 A476 I477	Y300-G431 WeakPolarHBondContact OH-CA 3.27Å; Y300-G431 PolarHBondContact OH-N 3.21Å; G431-A476 CarbonylContact O-C 3.55Å; G431-A476 WeakPolarHBondContact O-CA 3.47Å; G431-I477 PolarHBondContact O-N 2.99Å
432	L	98.8	Very high	97.5	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.8	177.6	176.7	68.2	0	0	0	110.7	F108 C275 M430 R474 A476	F108-L432 HydrophobicContact CE1-CB 4.15Å; F108-L432 HydrophobicContact CE1-CD2 4.08Å; F108-L432 HydrophobicContact CZ-CD2 4.17Å; C275-L432 HydrophobicContact CB-CB 4.12Å; C275-L432 HydrophobicContact CB-CD2 3.69Å; C275-L432 HydrophobicContact CB-CG 4.45Å; M430-L432 PolarHBondContact O-N 3.33Å; L432-R474 HydrophobicContact CD1-CB 3.96Å; L432-R474 HydrophobicContact CD1-CG 4.44Å; L432-A476 HydrophobicContact CD1-CB 4.13Å
433	V	98.8	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.1	171.2	-173.6	0	0	0	0	109.6	A409 F412 E413 I424 V428 F475	A409-V433 HydrophobicContact CB-CG2 4.06Å; A409-V433 VanDerWaalsContact O-CG2 3.28Å; A409-V433 WeakPolarHBondContact O-CG2 3.29Å; F412-V433 HydrophobicContact CD1-CB 3.72Å; F412-V433 HydrophobicContact CD1-CG1 3.83Å; F412-V433 HydrophobicContact CD1-CG2 3.87Å; F412-V433 HydrophobicContact CE1-CB 4.14Å; F412-V433 HydrophobicContact CE1-CG1 4.11Å; E413-V433 HydrophobicContact CB-CG2 4.5Å; I424-V433 HydrophobicContact CD1-CG1 3.58Å; V428-V433 HydrophobicContact CG1-CG2 3.95Å; V428-V433 HydrophobicContact CG2-CB 4.33Å; V428-V433 HydrophobicContact CG2-CG1 4.04Å; V428-V433 HydrophobicContact CG2-CG2 4Å; V433-F475 HydrophobicContact CB-CB 4.48Å; V433-F475 PolarHBondContact N-O 2.94Å; V433-F475 PolarHBondContact O-N 3.19Å
434	C	98.6	Very high	97.5	Very high	3 Å²	3	33 Å²	33	2%	0.02	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.9	175.8	-62.5	0	0	0	0	109.1	S273 V425 F472 I473	S273-C434 PolarHBondContact O-SG 3.36Å; S273-C434 VanDerWaalsContact O-SG 3.33Å; V425-C434 HydrophobicContact CB-CB 4Å; V425-C434 PolarHBondContact N-O 2.93Å; C434-F472 HydrophobicContact CB-CD2 3.69Å; C434-F472 HydrophobicContact CB-CE2 3.77Å; C434-I473 WeakPolarHBondContact CA-O 3.38Å
435	F	98.7	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.8	-175.6	75.7	-78.8	0	0	0	111.9	F412 I416 F422 E423 I424 F472 I473 F475 I494	F412-F435 AromaticContact CE1-CD1 3.96Å; F412-F435 HydrophobicContact CE1-CD1 3.96Å; F412-F435 HydrophobicContact CE1-CE1 4.1Å; F412-F435 HydrophobicContact CZ-CD1 4.31Å; F412-F435 HydrophobicContact CZ-CE1 4.04Å; F412-F435 HydrophobicContact CZ-CZ 4.48Å; I416-F435 HydrophobicContact CD1-CD2 3.92Å; I416-F435 HydrophobicContact CD1-CE2 4.26Å; I416-F435 HydrophobicContact CD1-CG 4.17Å; I416-F435 HydrophobicContact CG1-CG 4.47Å; I416-F435 HydrophobicContact CG2-CB 3.86Å; I416-F435 HydrophobicContact CG2-CG 4.47Å; F422-F435 AromaticContact CD1-CD2 3.95Å; F422-F435 HydrophobicContact CD1-CD2 3.95Å; F422-F435 HydrophobicContact CD1-CE2 4.26Å; F422-F435 HydrophobicContact CE1-CD2 4.3Å; F422-F435 HydrophobicContact CE1-CE2 4.14Å; F422-F435 HydrophobicContact CG-CD2 4.44Å; E423-F435 VanDerWaalsContact O-CA 3.25Å; E423-F435 WeakPolarHBondContact O-CA 3.34Å; I424-F435 HydrophobicContact CD1-CB 4.31Å; F435-F472 WeakPolarHBondContact O-CB 3.45Å; F435-I473 HydrophobicContact CD1-CB 4.3Å; F435-I473 HydrophobicContact CE1-CB 3.77Å; F435-I473 HydrophobicContact CE1-CG2 3.64Å; F435-I473 HydrophobicContact CE2-CB 4.37Å; F435-I473 HydrophobicContact CE2-CD1 4.29Å; F435-I473 HydrophobicContact CZ-CB 3.8Å; F435-I473 HydrophobicContact CZ-CD1 4.16Å; F435-I473 HydrophobicContact CZ-CG2 3.72Å; F435-I473 PolarHBondContact N-O 2.83Å; F435-I473 PolarHBondContact O-N 3.44Å; F435-F475 HydrophobicContact CD1-CB 4.47Å; F435-F475 HydrophobicContact CE1-CB 4.16Å; F435-I494 HydrophobicContact CE1-CD1 4.38Å; F435-I494 HydrophobicContact CE2-CG2 3.77Å; F435-I494 HydrophobicContact CZ-CD1 3.82Å; F435-I494 HydrophobicContact CZ-CG1 4.41Å; F435-I494 HydrophobicContact CZ-CG2 3.96Å
436	R	98.4	Very high	97.6	Very high	11 Å²	11	37.6 Å²	37.6	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	165.3	177.5	63.3	-169.6	-64.6	-110.1	2.6	111.1	F422 E423 V425 K438 N441 T444 L470 Y471 F472	F422-R436 CarbonylContact C-O 3.56Å; F422-R436 VanDerWaalsContact CA-O 3.23Å; F422-R436 WeakPolarHBondContact CA-O 2.98Å; F422-R436 WeakPolarHBondContact CD1-O 3.23Å; E423-R436 HydrophobicContact CG-CG 3.49Å; E423-R436 VanDerWaalsContact CG-CG 3.49Å; E423-R436 PolarHBondContact N-O 2.79Å; E423-R436 PolarHBondContact O-N 3.22Å; E423-R436 WeakPolarHBondContact OE1-CD 3.25Å; E423-R436 WeakPolarHBondContact OE1-CG 3.33Å; E423-R436 IonicContact OE1-CZ 2.76Å; E423-R436 IonicContact OE1-NE 3.26Å; E423-R436 IonicContact OE1-NH1 3.79Å; E423-R436 PolarHBondContact OE1-NH1 2.83Å; V425-R436 HydrophobicContact CG2-CB 4.43Å; V425-R436 HydrophobicContact CG2-CG 3.83Å; R436-K438 PolarHBondContact O-N 2.9Å; R436-N441 PolarHBondContact NH2-OD1 2.65Å; R436-T444 HydrophobicContact CB-CG2 3.75Å; R436-L470 VanDerWaalsContact CZ-CD1 3.42Å; R436-Y471 PolarHBondContact NE-O 2.99Å; R436-Y471 VanDerWaalsContact NE-O 3.08Å; R436-F472 HydrophobicContact CB-CB 4.09Å
437	I	98.3	Very high	97.7	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.046	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.1	165.6	-64.4	174.9	0	0	0	107.4	R421 F422 D439 N440 L443 T444 L447 L501	R421-I437 WeakPolarHBondContact O-CA 3.39Å; F422-I437 HydrophobicContact CD1-CG1 4.08Å; F422-I437 HydrophobicContact CE1-CG1 3.82Å; I437-D439 PolarHBondContact O-N 3.41Å; I437-N440 HydrophobicContact CG2-CB 4.25Å; I437-N440 PolarHBondContact O-N 3.28Å; I437-L443 HydrophobicContact CD1-CB 3.8Å; I437-L443 HydrophobicContact CG2-CB 4.41Å; I437-L443 HydrophobicContact CG2-CD1 4.47Å; I437-T444 PolarHBondContact N-OG1 2.87Å; I437-L447 HydrophobicContact CD1-CB 4.11Å; I437-L447 HydrophobicContact CD1-CD2 3.99Å; I437-L447 HydrophobicContact CG1-CD2 4.06Å; I437-L501 HydrophobicContact CD1-CD2 4.2Å
438	K	96.9	Very high	97.8	Very high	88 Å²	88	32.4 Å²	32.4	38%	0.383	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	124.4	-174.5	-71.5	-173	-175.2	167.2	0	111.3	D420 R421 F422 E423 R436 N440	D420-K438 VanDerWaalsContact O-CD 3.23Å; D420-K438 WeakPolarHBondContact O-CD 3.02Å; D420-K438 WeakPolarHBondContact O-CE 3.39Å; D420-K438 PolarHBondContact O-NZ 3.46Å; D420-K438 IonicContact OD1-NZ 2.67Å; R421-K438 PolarHBondContact O-N 2.82Å; F422-K438 WeakPolarHBondContact O-CE 3.24Å; F422-K438 WeakPolarHBondContact O-CG 3.31Å; E423-K438 HydrophobicContact CB-CG 4Å; E423-K438 HydrophobicContact CG-CG 4.29Å; R436-K438 PolarHBondContact O-N 2.9Å; K438-N440 PolarHBondContact O-N 2.97Å
439	D	93.5	Very high	97.8	Very high	123 Å²	123	36.9 Å²	36.9	66%	0.658	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	20.6	173.4	-68.3	-54.3	0	0	0	116.1	E423 I437	E423-D439 PolarHBondContact OE1-N 2.9Å; I437-D439 PolarHBondContact O-N 3.41Å
440	N	96.3	Very high	97.8	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.294	18%	0.182	S	C	.	.			trans	-137	97.9	-173.7	-158	-42	0	0	0	114.2	I437 K438 E442 L443 T444	I437-N440 HydrophobicContact CG2-CB 4.25Å; I437-N440 PolarHBondContact O-N 3.28Å; K438-N440 PolarHBondContact O-N 2.97Å; N440-E442 PolarHBondContact OD1-N 3.07Å; N440-L443 HydrophobicContact CB-CB 4.13Å; N440-L443 HydrophobicContact CB-CD1 4.32Å; N440-L443 HydrophobicContact CB-CG 4.45Å; N440-L443 VanDerWaalsContact ND2-CD1 3.3Å; N440-L443 WeakPolarHBondContact ND2-CD1 3.38Å; N440-L443 WeakPolarHBondContact ND2-CG 3.09Å; N440-L443 PolarHBondContact OD1-N 3.1Å; N440-T444 VanDerWaalsContact O-CB 3.32Å; N440-T444 WeakPolarHBondContact O-CB 3.44Å; N440-T444 PolarHBondContact O-N 3.28Å; N440-T444 VanDerWaalsContact O-N 3.11Å; N440-T444 PolarHBondContact O-OG1 3.36Å
441	N	97.1	Very high	97.7	Very high	34 Å²	34	37.8 Å²	37.8	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-44.6	176.7	-76.8	-19.3	0	0	0	112.3	R436 T444 K445 P469 Y471	R436-N441 PolarHBondContact NH2-OD1 2.65Å; N441-T444 PolarHBondContact O-N 3.2Å; N441-K445 WeakPolarHBondContact O-CG 3.44Å; N441-K445 PolarHBondContact O-N 3.07Å; N441-P469 PolarHBondContact ND2-O 2.86Å; N441-Y471 PolarHBondContact OD1-N 3.12Å
442	E	97.1	Very high	97.6	Very high	119 Å²	119	40.9 Å²	40.9	56%	0.556	20%	0.197	S	C	*	.	H	α-helix	trans	-69.5	-44	-173.3	-62.7	-51.8	123.3	0	0	111.7	N440 T444 K445 E446	N440-E442 PolarHBondContact OD1-N 3.07Å; E442-T444 VanDerWaalsContact C-N 3.28Å; E442-T444 PolarHBondContact O-N 3.49Å; E442-K445 WeakPolarHBondContact O-CB 3.45Å; E442-K445 PolarHBondContact O-N 2.95Å; E442-K445 IonicContact OE1-NZ 3.5Å; E442-K445 PolarHBondContact OE1-NZ 3.37Å; E442-K445 IonicContact OE2-NZ 3.9Å; E442-E446 PolarHBondContact O-N 3.13Å
443	L	97.5	Very high	97.3	Very high	20 Å²	20	44.2 Å²	44.2	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-34.8	172.5	-70.4	-179.2	0	0	0	111.9	I437 N440 E446 L447 L501 L502	I437-L443 HydrophobicContact CD1-CB 3.8Å; I437-L443 HydrophobicContact CG2-CB 4.41Å; I437-L443 HydrophobicContact CG2-CD1 4.47Å; N440-L443 HydrophobicContact CB-CB 4.13Å; N440-L443 HydrophobicContact CB-CD1 4.32Å; N440-L443 HydrophobicContact CB-CG 4.45Å; N440-L443 VanDerWaalsContact ND2-CD1 3.3Å; N440-L443 WeakPolarHBondContact ND2-CD1 3.38Å; N440-L443 WeakPolarHBondContact ND2-CG 3.09Å; N440-L443 PolarHBondContact OD1-N 3.1Å; L443-E446 PolarHBondContact O-N 3.15Å; L443-L447 WeakPolarHBondContact O-CB 3.27Å; L443-L447 PolarHBondContact O-N 3.37Å; L443-L501 HydrophobicContact CD2-CD1 4.26Å; L443-L501 HydrophobicContact CD2-CD2 4.34Å; L443-L501 HydrophobicContact CD2-CG 4.25Å; L443-L501 WeakPolarHBondContact O-CD2 3.28Å; L443-L502 HydrophobicContact CD1-CD2 3.87Å
444	T	98.4	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-40.1	176.4	-58.2	0	0	0	0	111.5	R436 I437 N440 N441 E442 L447 Y448 Y471 I473	R436-T444 HydrophobicContact CB-CG2 3.75Å; I437-T444 PolarHBondContact N-OG1 2.87Å; N440-T444 VanDerWaalsContact O-CB 3.32Å; N440-T444 WeakPolarHBondContact O-CB 3.44Å; N440-T444 PolarHBondContact O-N 3.28Å; N440-T444 VanDerWaalsContact O-N 3.11Å; N440-T444 PolarHBondContact O-OG1 3.36Å; N441-T444 PolarHBondContact O-N 3.2Å; E442-T444 VanDerWaalsContact C-N 3.28Å; E442-T444 PolarHBondContact O-N 3.49Å; T444-L447 PolarHBondContact O-N 3.45Å; T444-Y448 PolarHBondContact O-N 2.95Å; T444-Y471 HydrophobicContact CG2-CD1 3.79Å; T444-Y471 HydrophobicContact CG2-CE1 4.13Å; T444-I473 HydrophobicContact CG2-CD1 4.15Å; T444-I473 HydrophobicContact CG2-CG1 3.9Å
445	K	98.2	Very high	96.9	Very high	58 Å²	58	46.7 Å²	46.7	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-48.1	171.3	-72.9	171.4	-175	167.9	0	110.8	N441 E442 L447 Y448 H449 Y471	N441-K445 WeakPolarHBondContact O-CG 3.44Å; N441-K445 PolarHBondContact O-N 3.07Å; E442-K445 WeakPolarHBondContact O-CB 3.45Å; E442-K445 PolarHBondContact O-N 2.95Å; E442-K445 IonicContact OE1-NZ 3.5Å; E442-K445 PolarHBondContact OE1-NZ 3.37Å; E442-K445 IonicContact OE2-NZ 3.9Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-L447 PolarHBondContact O-N 2.92Å; K445-Y448 WeakPolarHBondContact O-CB 3.43Å; K445-Y448 PolarHBondContact O-N 3.16Å; K445-H449 PolarHBondContact O-N 2.66Å; K445-H449 PolarHBondContact O-ND1 2.95Å; K445-Y471 HydrophobicContact CB-CD1 4.43Å; K445-Y471 HydrophobicContact CB-CE1 4.06Å; K445-Y471 HydrophobicContact CD-CD2 4.48Å; K445-Y471 HydrophobicContact CG-CD1 3.56Å; K445-Y471 HydrophobicContact CG-CD2 3.85Å; K445-Y471 HydrophobicContact CG-CE1 3.47Å; K445-Y471 VanDerWaalsContact CG-CE1 3.47Å; K445-Y471 HydrophobicContact CG-CE2 3.77Å; K445-Y471 HydrophobicContact CG-CG 3.74Å
446	E	98.1	Very high	96.8	Very high	89 Å²	89	49.6 Å²	49.6	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-39.8	-179.9	-164.8	176	168	0	0	111.7	E442 L443 Y448 H449 N450 L501	E442-E446 PolarHBondContact O-N 3.13Å; L443-E446 PolarHBondContact O-N 3.15Å; E446-Y448 PolarHBondContact O-N 2.97Å; E446-H449 PolarHBondContact O-N 3.39Å; E446-N450 WeakPolarHBondContact O-CB 2.97Å; E446-N450 PolarHBondContact O-N 3.02Å; E446-N450 PolarHBondContact O-ND2 2.78Å; E446-L501 HydrophobicContact CB-CD1 4.15Å; E446-L501 HydrophobicContact CB-CD2 4.15Å; E446-L501 HydrophobicContact CG-CD1 3.65Å; E446-L501 HydrophobicContact CG-CD2 4.41Å; E446-L501 WeakPolarHBondContact OE1-CD1 3.35Å; E446-L501 WeakPolarHBondContact OE2-CD1 3.42Å
447	L	98.5	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-46	172.6	176.6	60.3	0	0	0	111.6	F422 I437 L443 T444 K445 N450 I451 I473 I494 L497 C498 L501	F422-L447 HydrophobicContact CE1-CD2 3.67Å; F422-L447 HydrophobicContact CZ-CD2 4.17Å; I437-L447 HydrophobicContact CD1-CB 4.11Å; I437-L447 HydrophobicContact CD1-CD2 3.99Å; I437-L447 HydrophobicContact CG1-CD2 4.06Å; L443-L447 WeakPolarHBondContact O-CB 3.27Å; L443-L447 PolarHBondContact O-N 3.37Å; T444-L447 PolarHBondContact O-N 3.45Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-L447 PolarHBondContact O-N 2.92Å; L447-N450 PolarHBondContact O-N 3.41Å; L447-I451 HydrophobicContact CD1-CD1 3.94Å; L447-I451 HydrophobicContact CD1-CG1 4.19Å; L447-I451 HydrophobicContact CG-CD1 3.85Å; L447-I451 VanDerWaalsContact O-CG1 3.3Å; L447-I451 WeakPolarHBondContact O-CG1 3.39Å; L447-I451 PolarHBondContact O-N 3Å; L447-I473 HydrophobicContact CB-CD1 4.49Å; L447-I473 HydrophobicContact CD2-CD1 4.05Å; L447-I473 HydrophobicContact CG-CD1 4.09Å; L447-I494 HydrophobicContact CD2-CG2 4.47Å; L447-L497 HydrophobicContact CD1-CB 4Å; L447-C498 HydrophobicContact CD1-CB 3.97Å; L447-C498 HydrophobicContact CD2-CB 4.17Å; L447-L501 HydrophobicContact CB-CD2 3.88Å
448	Y	98.3	Very high	96.8	Very high	26 Å²	26	49 Å²	49	10%	0.102	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-49.9	176.9	169.1	-101.8	0	0	0	111.7	T444 K445 E446 N450 I451 E452 Y471	T444-Y448 PolarHBondContact O-N 2.95Å; K445-Y448 WeakPolarHBondContact O-CB 3.43Å; K445-Y448 PolarHBondContact O-N 3.16Å; E446-Y448 PolarHBondContact O-N 2.97Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.9Å; Y448-I451 PolarHBondContact O-N 3.02Å; Y448-I451 VanDerWaalsContact O-N 3.15Å; Y448-E452 PolarHBondContact O-N 3.3Å; Y448-Y471 VanDerWaalsContact CD1-OH 3.3Å; Y448-Y471 WeakPolarHBondContact CD1-OH 3.36Å
449	H	97.4	Very high	96.8	Very high	102 Å²	102	45 Å²	45	47%	0.472	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-37.7	177.8	-67.7	97.2	0	0	0	112.1	K445 E446 I451 E452 A453	K445-H449 PolarHBondContact O-N 2.66Å; K445-H449 PolarHBondContact O-ND1 2.95Å; E446-H449 PolarHBondContact O-N 3.39Å; H449-I451 VanDerWaalsContact C-N 3.33Å; H449-I451 PolarHBondContact O-N 3.49Å; H449-E452 PolarHBondContact O-N 2.95Å; H449-A453 WeakPolarHBondContact O-CB 3.44Å; H449-A453 PolarHBondContact O-N 3.49Å
450	N	97.6	Very high	97	Very high	50 Å²	50	39.8 Å²	39.8	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-64.6	-37.3	175.6	-73.7	-18	0	0	0	112.1	E446 L447 Y448 D454	E446-N450 WeakPolarHBondContact O-CB 2.97Å; E446-N450 PolarHBondContact O-N 3.02Å; E446-N450 PolarHBondContact O-ND2 2.78Å; L447-N450 PolarHBondContact O-N 3.41Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.9Å; N450-D454 WeakPolarHBondContact O-CB 3.17Å; N450-D454 PolarHBondContact O-N 2.85Å
451	I	97.5	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-45.6	175	-68.1	160.9	0	0	0	110.8	L447 Y448 H449 A453 D454 G455 I457 L459 I473 I494 L497	L447-I451 HydrophobicContact CD1-CD1 3.94Å; L447-I451 HydrophobicContact CD1-CG1 4.19Å; L447-I451 HydrophobicContact CG-CD1 3.85Å; L447-I451 VanDerWaalsContact O-CG1 3.3Å; L447-I451 WeakPolarHBondContact O-CG1 3.39Å; L447-I451 PolarHBondContact O-N 3Å; Y448-I451 PolarHBondContact O-N 3.02Å; Y448-I451 VanDerWaalsContact O-N 3.15Å; H449-I451 VanDerWaalsContact C-N 3.33Å; H449-I451 PolarHBondContact O-N 3.49Å; I451-A453 PolarHBondContact O-N 3.49Å; I451-D454 PolarHBondContact O-N 3.17Å; I451-G455 PolarHBondContact O-N 2.85Å; I451-I457 HydrophobicContact CG2-CD1 3.9Å; I451-I457 HydrophobicContact CG2-CG1 3.51Å; I451-L459 HydrophobicContact CD1-CD1 3.93Å; I451-L459 HydrophobicContact CG2-CD1 3.9Å; I451-L459 HydrophobicContact CG2-CG 4.4Å; I451-I473 HydrophobicContact CD1-CD1 4.28Å; I451-I494 HydrophobicContact CD1-CG1 4.01Å; I451-L497 HydrophobicContact CB-CD1 4.21Å; I451-L497 HydrophobicContact CG1-CD1 3.61Å
452	E	94.6	Very high	97.1	Very high	65 Å²	65	38.4 Å²	38.4	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-62.2	-43	178.8	-174.4	171.8	-141.3	0	0	112	Y448 H449	Y448-E452 PolarHBondContact O-N 3.3Å; H449-E452 PolarHBondContact O-N 2.95Å
453	A	94.1	Very high	97	Very high	76 Å²	76	36.3 Å²	36.3	63%	0.628	19%	0.191	S	C	*	.	H	α-helix	trans	-66.9	-38.5	176.7	0	0	0	0	0	112.8	R56 H449 I451	R56-A453 PolarHBondContact NH2-O 3.47Å; H449-A453 WeakPolarHBondContact O-CB 3.44Å; H449-A453 PolarHBondContact O-N 3.49Å; I451-A453 PolarHBondContact O-N 3.49Å
454	D	95.3	Very high	96.8	Very high	49 Å²	49	35.9 Å²	35.9	26%	0.262	19%	0.189	S	C	.	.	H	α-helix	trans	-66.1	-39.8	177.6	176.4	104.5	0	0	0	112.1	N450 I451 R456 L497	N450-D454 WeakPolarHBondContact O-CB 3.17Å; N450-D454 PolarHBondContact O-N 2.85Å; I451-D454 PolarHBondContact O-N 3.17Å; D454-R456 VanDerWaalsContact C-N 3.25Å; D454-R456 PolarHBondContact O-N 3.44Å; D454-R456 IonicContact OD1-CZ 3.74Å; D454-R456 IonicContact OD1-NE 3.98Å; D454-R456 PolarHBondContact OD1-NE 3.21Å; D454-R456 IonicContact OD1-NH2 3.24Å; D454-R456 PolarHBondContact OD1-NH2 2.62Å; D454-R456 VanDerWaalsContact OD2-CB 3.29Å; D454-R456 WeakPolarHBondContact OD2-CB 3.47Å; D454-R456 VanDerWaalsContact OD2-CG 3.27Å; D454-R456 WeakPolarHBondContact OD2-CG 3.28Å; D454-R456 IonicContact OD2-CZ 2.85Å; D454-R456 PolarHBondContact OD2-N 3.48Å; D454-R456 IonicContact OD2-NE 3.83Å; D454-R456 PolarHBondContact OD2-NE 3.44Å; D454-R456 IonicContact OD2-NH2 3.5Å; D454-L497 HydrophobicContact CB-CD1 3.9Å; D454-L497 HydrophobicContact CB-CD2 4.34Å
455	G	93.5	Very high	96.1	Very high	6 Å²	6	41.9 Å²	41.9	6%	0.062	22%	0.217	C	C	.	.			trans	73.2	1.9	168.4	0	0	0	0	0	116.8	V57 I451 I457	V57-G455 WeakPolarHBondContact CG1-O 3.44Å; I451-G455 PolarHBondContact O-N 2.85Å; G455-I457 PolarHBondContact O-N 3.48Å
456	R	96	Very high	94.9	Very high	61 Å²	61	42.7 Å²	42.7	23%	0.23	22%	0.223	C	C	.	.	S	Bend	trans	-64.7	-29.7	172.5	-74.5	-179.6	-73.4	174.9	-8.2	112.8	H103 D454 Y489 V493 E496	H103-R456 WeakPolarHBondContact CB-O 3.49Å; D454-R456 VanDerWaalsContact C-N 3.25Å; D454-R456 PolarHBondContact O-N 3.44Å; D454-R456 IonicContact OD1-CZ 3.74Å; D454-R456 IonicContact OD1-NE 3.98Å; D454-R456 PolarHBondContact OD1-NE 3.21Å; D454-R456 IonicContact OD1-NH2 3.24Å; D454-R456 PolarHBondContact OD1-NH2 2.62Å; D454-R456 VanDerWaalsContact OD2-CB 3.29Å; D454-R456 WeakPolarHBondContact OD2-CB 3.47Å; D454-R456 VanDerWaalsContact OD2-CG 3.27Å; D454-R456 WeakPolarHBondContact OD2-CG 3.28Å; D454-R456 IonicContact OD2-CZ 2.85Å; D454-R456 PolarHBondContact OD2-N 3.48Å; D454-R456 IonicContact OD2-NE 3.83Å; D454-R456 PolarHBondContact OD2-NE 3.44Å; D454-R456 IonicContact OD2-NH2 3.5Å; R456-Y489 HydrophobicContact CB-CE1 4.41Å; R456-Y489 WeakPolarHBondContact CD-OH 3.32Å; R456-V493 HydrophobicContact CB-CG1 4.3Å; R456-V493 HydrophobicContact CB-CG2 4.09Å; R456-E496 IonicContact CZ-OE2 3.51Å; R456-E496 IonicContact NH1-OE2 2.86Å; R456-E496 PolarHBondContact NH1-OE2 3.26Å; R456-E496 IonicContact NH2-OE1 3.72Å; R456-E496 PolarHBondContact NH2-OE1 3.32Å; R456-E496 IonicContact NH2-OE2 3.18Å; R456-E496 PolarHBondContact NH2-OE2 3.09Å
457	I	98.1	Very high	93.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-136	155.1	176.3	71.2	178.5	0	0	0	109.2	H103 I451 G455 L459 Y489 A490 V493 I494	H103-I457 HydrophobicContact CB-CB 4.21Å; H103-I457 HydrophobicContact CB-CG2 3.89Å; H103-I457 WeakPolarHBondContact O-CA 3.49Å; I451-I457 HydrophobicContact CG2-CD1 3.9Å; I451-I457 HydrophobicContact CG2-CG1 3.51Å; G455-I457 PolarHBondContact O-N 3.48Å; I457-L459 HydrophobicContact CD1-CD1 3.9Å; I457-L459 HydrophobicContact CD1-CG 4.28Å; I457-L459 HydrophobicContact CG1-CD1 4.46Å; I457-L459 HydrophobicContact CG1-CG 4.46Å; I457-Y489 HydrophobicContact CG2-CD1 4.46Å; I457-Y489 HydrophobicContact CG2-CE1 4.32Å; I457-A490 HydrophobicContact CD1-CB 4.44Å; I457-A490 HydrophobicContact CG2-CB 4.18Å; I457-V493 HydrophobicContact CD1-CB 4.25Å; I457-V493 HydrophobicContact CD1-CG1 4.06Å; I457-V493 HydrophobicContact CG1-CG1 4.14Å; I457-V493 HydrophobicContact CG2-CB 4.32Å; I457-V493 HydrophobicContact CG2-CG1 4.4Å; I457-V493 HydrophobicContact CG2-CG2 4.23Å; I457-I494 HydrophobicContact CD1-CD1 4.06Å; I457-I494 HydrophobicContact CD1-CG1 3.71Å
458	H	98.2	Very high	93.1	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.028	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-118.8	125.2	175.7	-174.8	55.5	0	0	0	111.3	V57 F58 H103 F104 H105 A106	V57-H458 HydrophobicContact CB-CB 4.48Å; V57-H458 HydrophobicContact CG1-CB 3.88Å; V57-H458 HydrophobicContact CG2-CB 3.75Å; F58-H458 HydrophobicContact CB-CB 4.29Å; F58-H458 AromaticContact CD2-CE1 3.28Å; F58-H458 WeakPolarHBondContact CD2-CE1 3.4Å; F58-H458 AromaticContact CD2-ND1 3.54Å; F58-H458 AromaticContact CD2-NE2 3.62Å; F58-H458 AromaticContact CE2-CE1 3.57Å; F58-H458 AromaticContact CE2-NE2 3.95Å; F58-H458 AromaticContact CG-CE1 3.91Å; F58-H458 AromaticContact CG-ND1 3.73Å; H103-H458 PolarHBondContact O-N 3.05Å; F104-H458 AromaticContact CD2-CD2 3.84Å; F104-H458 AromaticContact CE2-CD2 3.66Å; H105-H458 CarbonylContact C-O 3.51Å; H105-H458 WeakPolarHBondContact CA-O 3.35Å; H105-H458 WeakPolarHBondContact CB-O 3.25Å; H105-H458 PolarHBondContact N-O 3.34Å; A106-H458 WeakPolarHBondContact CB-CD2 3.27Å; A106-H458 PolarHBondContact N-O 2.96Å
459	L	98.2	Very high	92.9	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.286	C	S	.	.			trans	-128.4	170.7	-179.6	-61.6	170.5	0	0	0	109.2	H105 I451 I457 I473 R474 F475 I494	H105-L459 HydrophobicContact CB-CD2 3.42Å; H105-L459 VanDerWaalsContact CB-CD2 3.42Å; I451-L459 HydrophobicContact CD1-CD1 3.93Å; I451-L459 HydrophobicContact CG2-CD1 3.9Å; I451-L459 HydrophobicContact CG2-CG 4.4Å; I457-L459 HydrophobicContact CD1-CD1 3.9Å; I457-L459 HydrophobicContact CD1-CG 4.28Å; I457-L459 HydrophobicContact CG1-CD1 4.46Å; I457-L459 HydrophobicContact CG1-CG 4.46Å; L459-I473 HydrophobicContact CB-CG2 4.08Å; L459-I473 HydrophobicContact CD1-CG2 3.68Å; L459-I473 HydrophobicContact CG-CG2 4.36Å; L459-R474 WeakPolarHBondContact CD2-O 3.3Å; L459-F475 HydrophobicContact CD2-CB 4.41Å; L459-F475 HydrophobicContact CD2-CD2 3.64Å; L459-F475 HydrophobicContact CD2-CE2 4.39Å; L459-F475 HydrophobicContact CD2-CG 4.45Å; L459-I494 HydrophobicContact CD1-CD1 4.22Å; L459-I494 HydrophobicContact CD1-CG1 4.36Å
460	V	97.7	Very high	92.8	Very high	15 Å²	15	48.9 Å²	48.9	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151	165	-68.7	0	0	0	0	109.4	A106 Y107 R474	A106-V460 HydrophobicContact CB-CG1 3.74Å; A106-V460 HydrophobicContact CB-CG2 4.39Å; Y107-V460 HydrophobicContact CD1-CG1 4.25Å; Y107-V460 HydrophobicContact CD1-CG2 4.41Å; Y107-V460 HydrophobicContact CE1-CG1 3.9Å; Y107-V460 HydrophobicContact CE2-CG1 4.33Å; Y107-V460 VanDerWaalsContact N-CG2 3.34Å; V460-R474 HydrophobicContact CG2-CB 4.38Å; V460-R474 WeakPolarHBondContact O-CB 3.41Å; V460-R474 PolarHBondContact O-N 3.12Å
461	S	97.9	Very high	92.8	Very high	39 Å²	39	47.3 Å²	47.3	27%	0.273	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	168.6	171	61.3	0	0	0	0	112.5	Y471 F472	S461-Y471 WeakPolarHBondContact CB-OH 3.33Å; S461-Y471 PolarHBondContact OG-OH 2.63Å; S461-F472 CarbonylContact C-O 3.35Å; S461-F472 VanDerWaalsContact CA-O 3.24Å; S461-F472 WeakPolarHBondContact CA-O 3.5Å; S461-F472 WeakPolarHBondContact CB-O 3.31Å
462	S	97.4	Very high	92.8	Very high	21 Å²	21	47.2 Å²	47.2	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	163.3	159.7	-173.7	0	0	0	0	110	S273 F472	S273-S462 PolarHBondContact OG-OG 2.88Å; S462-F472 PolarHBondContact N-O 3.23Å; S462-F472 PolarHBondContact O-N 3.37Å
463	E	95.6	Very high	93	Very high	75 Å²	75	44.1 Å²	44.1	35%	0.35	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.6	178.3	-172.1	173.6	167.5	0	0	110	H465 L470 Y471	E463-H465 IonicContact OE1-CE1 3.02Å; E463-H465 PolarHBondContact OE1-CE1 3.02Å; E463-H465 IonicContact OE1-ND1 3.29Å; E463-H465 PolarHBondContact OE1-ND1 3.24Å; E463-L470 WeakPolarHBondContact CA-O 3.25Å; E463-Y471 HydrophobicContact CB-CD2 4.23Å
464	L	92.7	Very high	93.2	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.7	171.9	-59.6	172.7	0	0	0	108.6	Y241 T274 P469 L470 F472	Y241-L464 HydrophobicContact CD1-CD1 3.62Å; Y241-L464 HydrophobicContact CE1-CD1 3.31Å; Y241-L464 HydrophobicContact CE2-CD1 4.25Å; Y241-L464 HydrophobicContact CG-CD1 4.21Å; T274-L464 HydrophobicContact CG2-CD1 4.03Å; L464-P469 CarbonylContact O-C 3.54Å; L464-P469 WeakPolarHBondContact O-CA 3.46Å; L464-L470 PolarHBondContact N-O 3.43Å; L464-L470 PolarHBondContact O-N 2.8Å; L464-F472 HydrophobicContact CD1-CE1 3.85Å; L464-F472 HydrophobicContact CD1-CZ 4.28Å; L464-F472 HydrophobicContact CG-CE1 3.86Å; L464-F472 HydrophobicContact CG-CZ 4.4Å
465	H	82.6	Confident	93.4	Very high	126 Å²	126	38.5 Å²	38.5	58%	0.583	20%	0.204	S	C	*	.			trans	-104.4	0.6	-175	-60.7	-58.2	0	0	0	114.1	E463	E463-H465 IonicContact OE1-CE1 3.02Å; E463-H465 PolarHBondContact OE1-CE1 3.02Å; E463-H465 IonicContact OE1-ND1 3.29Å; E463-H465 PolarHBondContact OE1-ND1 3.24Å
466	L	73.1	Confident	93.6	Very high	75 Å²	75	38.2 Å²	38.2	39%	0.393	20%	0.201	S	C	.	.	S	Bend	trans	-129.8	134.3	-174	-64.2	170.2	0	0	0	110.4	K236	K236-L466 HydrophobicContact CD-CD1 3.97Å; K236-L466 HydrophobicContact CG-CD1 3.97Å
467	P	75.3	Confident	93.8	Very high	127 Å²	127	35.4 Å²	35.4	83%	0.825	19%	0.19	S	C	*	.	S	Bend	cis	-75.2	-15.3	-4.3	31.7	-36	0	0	0	114.5
468	K	85.2	Confident	93.8	Very high	127 Å²	127	35.6 Å²	35.6	55%	0.552	19%	0.191	S	C	*	.	S	Bend	trans	-139.5	159.6	174.4	62.2	-179	-179.9	178.4	0	108.5	L470	K468-L470 PolarHBondContact O-N 3.16Å
469	P	92.2	Very high	93.8	Very high	70 Å²	70	36.9 Å²	36.9	46%	0.455	20%	0.196	S	C	.	.			trans	-53.1	124	172.7	-26	35	0	0	0	111.3	N441 L464	N441-P469 PolarHBondContact ND2-O 2.86Å; L464-P469 CarbonylContact O-C 3.54Å; L464-P469 WeakPolarHBondContact O-CA 3.46Å
470	L	95.2	Very high	93.6	Very high	22 Å²	22	40 Å²	40	12%	0.115	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	103.4	-178	-178.2	66.5	0	0	0	108.6	Y241 V425 R436 E463 L464 K468 F472	Y241-L470 VanDerWaalsContact OH-CD2 3.22Å; Y241-L470 WeakPolarHBondContact OH-CD2 3.43Å; V425-L470 HydrophobicContact CG1-CD2 3.66Å; V425-L470 HydrophobicContact CG1-CG 4.47Å; R436-L470 VanDerWaalsContact CZ-CD1 3.42Å; E463-L470 WeakPolarHBondContact CA-O 3.25Å; L464-L470 PolarHBondContact N-O 3.43Å; L464-L470 PolarHBondContact O-N 2.8Å; K468-L470 PolarHBondContact O-N 3.16Å; L470-F472 HydrophobicContact CG-CD1 4.34Å
471	Y	97.8	Very high	93.5	Very high	17 Å²	17	42.7 Å²	42.7	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.4	176.6	-173.9	-84.3	0	0	0	109.9	R436 N441 T444 K445 Y448 S461 E463	R436-Y471 PolarHBondContact NE-O 2.99Å; R436-Y471 VanDerWaalsContact NE-O 3.08Å; N441-Y471 PolarHBondContact OD1-N 3.12Å; T444-Y471 HydrophobicContact CG2-CD1 3.79Å; T444-Y471 HydrophobicContact CG2-CE1 4.13Å; K445-Y471 HydrophobicContact CB-CD1 4.43Å; K445-Y471 HydrophobicContact CB-CE1 4.06Å; K445-Y471 HydrophobicContact CD-CD2 4.48Å; K445-Y471 HydrophobicContact CG-CD1 3.56Å; K445-Y471 HydrophobicContact CG-CD2 3.85Å; K445-Y471 HydrophobicContact CG-CE1 3.47Å; K445-Y471 VanDerWaalsContact CG-CE1 3.47Å; K445-Y471 HydrophobicContact CG-CE2 3.77Å; K445-Y471 HydrophobicContact CG-CG 3.74Å; Y448-Y471 VanDerWaalsContact CD1-OH 3.3Å; Y448-Y471 WeakPolarHBondContact CD1-OH 3.36Å; S461-Y471 WeakPolarHBondContact CB-OH 3.33Å; S461-Y471 PolarHBondContact OG-OH 2.63Å; E463-Y471 HydrophobicContact CB-CD2 4.23Å
472	F	98.2	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	165.2	-177.6	61.4	-90.5	0	0	0	112.8	T274 V425 C434 F435 R436 S461 S462 L464 L470 R474	T274-F472 HydrophobicContact CG2-CE1 4.47Å; T274-F472 HydrophobicContact CG2-CE2 4.31Å; T274-F472 HydrophobicContact CG2-CZ 3.75Å; V425-F472 HydrophobicContact CB-CG 4.45Å; V425-F472 HydrophobicContact CG1-CD1 3.98Å; V425-F472 HydrophobicContact CG1-CE1 4.19Å; V425-F472 HydrophobicContact CG1-CG 4.22Å; V425-F472 HydrophobicContact CG2-CB 3.73Å; V425-F472 HydrophobicContact CG2-CD1 4.46Å; V425-F472 HydrophobicContact CG2-CG 4.13Å; C434-F472 HydrophobicContact CB-CD2 3.69Å; C434-F472 HydrophobicContact CB-CE2 3.77Å; F435-F472 WeakPolarHBondContact O-CB 3.45Å; R436-F472 HydrophobicContact CB-CB 4.09Å; S461-F472 CarbonylContact C-O 3.35Å; S461-F472 VanDerWaalsContact CA-O 3.24Å; S461-F472 WeakPolarHBondContact CA-O 3.5Å; S461-F472 WeakPolarHBondContact CB-O 3.31Å; S462-F472 PolarHBondContact N-O 3.23Å; S462-F472 PolarHBondContact O-N 3.37Å; L464-F472 HydrophobicContact CD1-CE1 3.85Å; L464-F472 HydrophobicContact CD1-CZ 4.28Å; L464-F472 HydrophobicContact CG-CE1 3.86Å; L464-F472 HydrophobicContact CG-CZ 4.4Å; L470-F472 HydrophobicContact CG-CD1 4.34Å; F472-R474 HydrophobicContact CD2-CG 4.15Å; F472-R474 HydrophobicContact CE2-CG 3.82Å
473	I	98.8	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.4	179.3	-57	174.8	0	0	0	108.6	C434 F435 T444 L447 I451 L459	C434-I473 WeakPolarHBondContact CA-O 3.38Å; F435-I473 HydrophobicContact CD1-CB 4.3Å; F435-I473 HydrophobicContact CE1-CB 3.77Å; F435-I473 HydrophobicContact CE1-CG2 3.64Å; F435-I473 HydrophobicContact CE2-CB 4.37Å; F435-I473 HydrophobicContact CE2-CD1 4.29Å; F435-I473 HydrophobicContact CZ-CB 3.8Å; F435-I473 HydrophobicContact CZ-CD1 4.16Å; F435-I473 HydrophobicContact CZ-CG2 3.72Å; F435-I473 PolarHBondContact N-O 2.83Å; F435-I473 PolarHBondContact O-N 3.44Å; T444-I473 HydrophobicContact CG2-CD1 4.15Å; T444-I473 HydrophobicContact CG2-CG1 3.9Å; L447-I473 HydrophobicContact CB-CD1 4.49Å; L447-I473 HydrophobicContact CD2-CD1 4.05Å; L447-I473 HydrophobicContact CG-CD1 4.09Å; I451-I473 HydrophobicContact CD1-CD1 4.28Å; L459-I473 HydrophobicContact CB-CG2 4.08Å; L459-I473 HydrophobicContact CD1-CG2 3.68Å; L459-I473 HydrophobicContact CG-CG2 4.36Å
474	R	98.8	Very high	93.7	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127	177.4	-66.9	174.9	69.2	-95.1	-0	109.6	Y107 T272 S273 L432 L459 V460 F472	Y107-R474 VanDerWaalsContact O-CZ 3.29Å; Y107-R474 PolarHBondContact O-NH1 2.94Å; Y107-R474 PolarHBondContact O-NH2 3.44Å; T272-R474 PolarHBondContact O-NE 3.41Å; T272-R474 PolarHBondContact O-NH2 3.43Å; S273-R474 WeakPolarHBondContact O-CD 3.38Å; S273-R474 PolarHBondContact O-NE 3.07Å; S273-R474 VanDerWaalsContact O-NE 3.11Å; L432-R474 HydrophobicContact CD1-CB 3.96Å; L432-R474 HydrophobicContact CD1-CG 4.44Å; L459-R474 WeakPolarHBondContact CD2-O 3.3Å; V460-R474 HydrophobicContact CG2-CB 4.38Å; V460-R474 WeakPolarHBondContact O-CB 3.41Å; V460-R474 PolarHBondContact O-N 3.12Å; F472-R474 HydrophobicContact CD2-CG 4.15Å; F472-R474 HydrophobicContact CE2-CG 3.82Å
475	F	98.8	Very high	94	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	101.3	174.1	-173.1	-91.7	0	0	0	109.5	H105 F412 V433 F435 L459 I477 I487 A490 I494	H105-F475 HydrophobicContact CB-CD2 3.97Å; H105-F475 HydrophobicContact CB-CE2 4.02Å; H105-F475 AromaticContact CD2-CE2 3.38Å; H105-F475 WeakPolarHBondContact CD2-CE2 3.46Å; H105-F475 AromaticContact CD2-CZ 3.84Å; H105-F475 AromaticContact CE1-CE2 3.77Å; H105-F475 AromaticContact CE1-CZ 3.38Å; H105-F475 WeakPolarHBondContact CE1-CZ 3.36Å; H105-F475 AromaticContact CG-CD2 3.89Å; H105-F475 AromaticContact CG-CE2 3.42Å; H105-F475 VanDerWaalsContact CG-CE2 3.42Å; H105-F475 AromaticContact CG-CZ 3.78Å; H105-F475 AromaticContact ND1-CE1 3.98Å; H105-F475 AromaticContact ND1-CE2 3.66Å; H105-F475 AromaticContact ND1-CZ 3.49Å; H105-F475 WeakPolarHBondContact ND1-CZ 3.27Å; H105-F475 AromaticContact NE2-CE2 3.61Å; H105-F475 AromaticContact NE2-CZ 3.58Å; F412-F475 HydrophobicContact CB-CD1 4.28Å; F412-F475 HydrophobicContact CB-CE1 4.11Å; F412-F475 HydrophobicContact CD1-CB 4.12Å; F412-F475 AromaticContact CD1-CD1 3.51Å; F412-F475 HydrophobicContact CD1-CD1 3.51Å; F412-F475 HydrophobicContact CD1-CE1 4.05Å; F412-F475 AromaticContact CD1-CG 3.85Å; F412-F475 HydrophobicContact CD1-CG 3.85Å; F412-F475 HydrophobicContact CD2-CD1 4.02Å; F412-F475 AromaticContact CD2-CE1 3.76Å; F412-F475 HydrophobicContact CD2-CE1 3.76Å; F412-F475 HydrophobicContact CD2-CE2 4.37Å; F412-F475 HydrophobicContact CD2-CG 4.41Å; F412-F475 AromaticContact CD2-CZ 3.97Å; F412-F475 HydrophobicContact CD2-CZ 3.97Å; F412-F475 HydrophobicContact CE1-CB 3.57Å; F412-F475 AromaticContact CE1-CD1 3.72Å; F412-F475 HydrophobicContact CE1-CD1 3.72Å; F412-F475 HydrophobicContact CE1-CD2 4.11Å; F412-F475 HydrophobicContact CE1-CE1 4.42Å; F412-F475 AromaticContact CE1-CG 3.53Å; F412-F475 HydrophobicContact CE1-CG 3.53Å; F412-F475 HydrophobicContact CE2-CD1 4.2Å; F412-F475 AromaticContact CE2-CD2 4Å; F412-F475 HydrophobicContact CE2-CD2 4Å; F412-F475 HydrophobicContact CE2-CE1 4.15Å; F412-F475 AromaticContact CE2-CE2 4Å; F412-F475 HydrophobicContact CE2-CE2 4Å; F412-F475 HydrophobicContact CE2-CG 4.12Å; F412-F475 HydrophobicContact CE2-CZ 4.07Å; F412-F475 AromaticContact CG-CD1 3.66Å; F412-F475 HydrophobicContact CG-CD1 3.66Å; F412-F475 AromaticContact CG-CE1 3.69Å; F412-F475 HydrophobicContact CG-CE1 3.69Å; F412-F475 HydrophobicContact CG-CG 4.28Å; F412-F475 HydrophobicContact CG-CZ 4.37Å; F412-F475 HydrophobicContact CZ-CB 4.02Å; F412-F475 HydrophobicContact CZ-CD1 4.06Å; F412-F475 AromaticContact CZ-CD2 3.75Å; F412-F475 HydrophobicContact CZ-CD2 3.75Å; F412-F475 HydrophobicContact CZ-CE1 4.46Å; F412-F475 HydrophobicContact CZ-CE2 4.23Å; F412-F475 AromaticContact CZ-CG 3.67Å; F412-F475 HydrophobicContact CZ-CG 3.67Å; V433-F475 HydrophobicContact CB-CB 4.48Å; V433-F475 PolarHBondContact N-O 2.94Å; V433-F475 PolarHBondContact O-N 3.19Å; F435-F475 HydrophobicContact CD1-CB 4.47Å; F435-F475 HydrophobicContact CE1-CB 4.16Å; L459-F475 HydrophobicContact CD2-CB 4.41Å; L459-F475 HydrophobicContact CD2-CD2 3.64Å; L459-F475 HydrophobicContact CD2-CE2 4.39Å; L459-F475 HydrophobicContact CD2-CG 4.45Å; F475-I477 HydrophobicContact CD1-CD1 3.96Å; F475-I477 HydrophobicContact CE1-CD1 3.42Å; F475-I477 VanDerWaalsContact CE1-CD1 3.42Å; F475-I477 HydrophobicContact CZ-CD1 4.42Å; F475-I487 HydrophobicContact CE1-CD1 4.13Å; F475-I487 HydrophobicContact CZ-CD1 4.19Å; F475-A490 HydrophobicContact CE2-CB 3.64Å; F475-A490 HydrophobicContact CZ-CB 3.91Å; F475-I494 HydrophobicContact CD2-CD1 4.38Å
476	A	98.8	Very high	94.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.3	177.6	0	0	0	0	0	111.4	H105 G431 L432 C478	H105-A476 WeakPolarHBondContact CA-O 3.49Å; H105-A476 WeakPolarHBondContact CB-O 3.42Å; H105-A476 PolarHBondContact ND1-O 3.01Å; H105-A476 PolarHBondContact O-N 3.35Å; G431-A476 CarbonylContact O-C 3.55Å; G431-A476 WeakPolarHBondContact O-CA 3.47Å; L432-A476 HydrophobicContact CD1-CB 4.13Å; A476-C478 PolarHBondContact O-N 3.48Å
477	I	98.7	Very high	95.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.222	C	C	.	.			trans	-80.7	100	171.8	-48.8	-54.5	0	0	0	108.5	H405 L408 A409 G431 F475 P482 I487	H405-I477 HydrophobicContact CB-CB 4.26Å; H405-I477 HydrophobicContact CB-CG2 4.03Å; H405-I477 PolarHBondContact ND1-O 3.32Å; H405-I477 WeakPolarHBondContact O-CG1 3.5Å; L408-I477 HydrophobicContact CB-CD1 4.42Å; L408-I477 HydrophobicContact CB-CG1 4.46Å; A409-I477 HydrophobicContact CB-CG1 3.9Å; G431-I477 PolarHBondContact O-N 2.99Å; F475-I477 HydrophobicContact CD1-CD1 3.96Å; F475-I477 HydrophobicContact CE1-CD1 3.42Å; F475-I477 VanDerWaalsContact CE1-CD1 3.42Å; F475-I477 HydrophobicContact CZ-CD1 4.42Å; I477-P482 HydrophobicContact CG2-CB 3.96Å; I477-P482 HydrophobicContact CG2-CG 3.65Å; I477-I487 HydrophobicContact CD1-CD1 3.64Å
478	C	98.6	Very high	97.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.034	20%	0.197	C	C	.	.			trans	-104.8	-44.8	-172.1	-63.1	0	0	0	0	114.9	F104 P109 A476	F104-C478 HydrophobicContact CD1-CB 3.81Å; F104-C478 HydrophobicContact CE1-CB 4.42Å; F104-C478 VanDerWaalsContact O-CB 3.31Å; F104-C478 WeakPolarHBondContact O-CB 3.47Å; P109-C478 HydrophobicContact CB-CB 4.18Å; A476-C478 PolarHBondContact O-N 3.48Å
479	Y	97.8	Very high	97.7	Very high	34 Å²	34	36.8 Å²	36.8	13%	0.133	19%	0.185	C	C	.	.	S	Bend	trans	-54	141.6	-174.8	-177.2	-129.3	0	0	0	111.9	Q100 P102 H405 S481 P482 H486	Q100-Y479 WeakPolarHBondContact O-CD2 3.38Å; Q100-Y479 WeakPolarHBondContact O-CE2 3.48Å; P102-Y479 HydrophobicContact CB-CD1 4.07Å; P102-Y479 HydrophobicContact CB-CE1 4.32Å; P102-Y479 HydrophobicContact CB-CG 4.26Å; P102-Y479 HydrophobicContact CG-CD1 4.11Å; P102-Y479 HydrophobicContact CG-CD2 4.27Å; P102-Y479 HydrophobicContact CG-CE1 3.92Å; P102-Y479 HydrophobicContact CG-CE2 4.07Å; P102-Y479 HydrophobicContact CG-CG 4.29Å; H405-Y479 PolarHBondContact CE1-O 3.28Å; H405-Y479 PolarHBondContact NE2-O 3.16Å; H405-Y479 VanDerWaalsContact NE2-O 3.14Å; Y479-S481 VanDerWaalsContact C-N 3.3Å; Y479-S481 VanDerWaalsContact CD1-C 3.42Å; Y479-S481 WeakPolarHBondContact CD1-O 3.46Å; Y479-S481 VanDerWaalsContact CE1-O 3.23Å; Y479-S481 WeakPolarHBondContact CE1-O 3.48Å; Y479-S481 PolarHBondContact O-N 3.32Å; Y479-P482 HydrophobicContact CD1-CB 4.48Å; Y479-P482 WeakPolarHBondContact O-CD 3.49Å; Y479-P482 VanDerWaalsContact O-CG 3.32Å; Y479-P482 WeakPolarHBondContact O-CG 3.48Å; Y479-H486 AromaticContact CD1-CE1 3.94Å; Y479-H486 AromaticContact CD1-ND1 3.98Å; Y479-H486 AromaticContact CE1-CE1 3.78Å
480	H	95.6	Very high	98	Very high	68 Å²	68	33.4 Å²	33.4	32%	0.315	16%	0.163	S	C	.	.	S	Bend	trans	-72.5	-20.6	-171.4	73.1	80	0	0	0	114.1	L332 Y401	L332-H480 HydrophobicContact CD2-CB 3.78Å; Y401-H480 WeakPolarHBondContact CE2-O 3.23Å
481	S	95.7	Very high	98.2	Very high	71 Å²	71	34.5 Å²	34.5	50%	0.497	17%	0.166	S	C	.	.	S	Bend	trans	-131.5	59.4	176.6	-159.2	0	0	0	0	111.1	Y479	Y479-S481 VanDerWaalsContact C-N 3.3Å; Y479-S481 VanDerWaalsContact CD1-C 3.42Å; Y479-S481 WeakPolarHBondContact CD1-O 3.46Å; Y479-S481 VanDerWaalsContact CE1-O 3.23Å; Y479-S481 WeakPolarHBondContact CE1-O 3.48Å; Y479-S481 PolarHBondContact O-N 3.32Å
482	P	97.4	Very high	98.2	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.065	19%	0.187	C	C	.	.			trans	-74.7	150.3	-177.9	31.9	-23.3	0	0	0	109.9	N404 H405 L408 I477 Y479	N404-P482 PolarHBondContact ND2-O 3.35Å; N404-P482 VanDerWaalsContact ND2-O 3.1Å; H405-P482 WeakPolarHBondContact NE2-CD 3.46Å; H405-P482 WeakPolarHBondContact NE2-CG 3.12Å; L408-P482 VanDerWaalsContact CD1-C 3.47Å; L408-P482 HydrophobicContact CD1-CB 3.61Å; L408-P482 HydrophobicContact CD1-CG 3.71Å; L408-P482 WeakPolarHBondContact CD1-O 3.32Å; I477-P482 HydrophobicContact CG2-CB 3.96Å; I477-P482 HydrophobicContact CG2-CG 3.65Å; Y479-P482 HydrophobicContact CD1-CB 4.48Å; Y479-P482 WeakPolarHBondContact O-CD 3.49Å; Y479-P482 VanDerWaalsContact O-CG 3.32Å; Y479-P482 WeakPolarHBondContact O-CG 3.48Å
483	N	98.2	Very high	98.2	Very high	69 Å²	69	39.8 Å²	39.8	37%	0.369	19%	0.187	S	C	.	.			trans	-139.7	171.7	176.8	64.4	48.7	0	0	0	108.9	H485 H486 I487	N483-H485 VanDerWaalsContact C-N 3.26Å; N483-H485 PolarHBondContact O-N 3.22Å; N483-H485 WeakPolarHBondContact OD1-CA 3.44Å; N483-H485 VanDerWaalsContact OD1-CB 3.26Å; N483-H485 WeakPolarHBondContact OD1-CB 3.42Å; N483-H485 PolarHBondContact OD1-N 3.44Å; N483-H486 PolarHBondContact N-ND1 3.25Å; N483-H486 PolarHBondContact ND2-CE1 3.21Å; N483-H486 PolarHBondContact O-N 2.72Å; N483-H486 PolarHBondContact OD1-N 2.78Å; N483-H486 VanDerWaalsContact OD1-N 3.13Å; N483-I487 PolarHBondContact O-N 3.43Å
484	K	98.4	Very high	98.2	Very high	103 Å²	103	39.8 Å²	39.8	45%	0.448	19%	0.187	S	C	.	.	H	α-helix	trans	-58.9	-34.7	-178	-69.8	-171.6	176.5	-173	0	113.4	L408 Y411 H486 I487 D488	L408-K484 HydrophobicContact CD2-CB 4.49Å; L408-K484 HydrophobicContact CD2-CG 3.74Å; Y411-K484 HydrophobicContact CD1-CB 4.33Å; Y411-K484 HydrophobicContact CD1-CD 4.35Å; Y411-K484 HydrophobicContact CD1-CG 3.99Å; Y411-K484 HydrophobicContact CE1-CB 3.97Å; Y411-K484 HydrophobicContact CE1-CD 4.25Å; Y411-K484 HydrophobicContact CE1-CG 4.04Å; Y411-K484 HydrophobicContact CE2-CD 4.42Å; Y411-K484 HydrophobicContact CG-CD 4.49Å; Y411-K484 HydrophobicContact CG-CG 4.48Å; K484-H486 VanDerWaalsContact C-N 3.33Å; K484-H486 PolarHBondContact O-N 3.28Å; K484-I487 WeakPolarHBondContact O-CB 3.19Å; K484-I487 PolarHBondContact O-N 3.05Å; K484-D488 VanDerWaalsContact O-CG 3.24Å; K484-D488 PolarHBondContact O-N 2.98Å
485	H	98.4	Very high	98.2	Very high	132 Å²	132	40.7 Å²	40.7	61%	0.611	19%	0.194	S	C	*	.	H	α-helix	trans	-61.4	-40.3	178.5	179.8	69.1	0	0	0	112.3	N483 I487 D488 Y489	N483-H485 VanDerWaalsContact C-N 3.26Å; N483-H485 PolarHBondContact O-N 3.22Å; N483-H485 WeakPolarHBondContact OD1-CA 3.44Å; N483-H485 VanDerWaalsContact OD1-CB 3.26Å; N483-H485 WeakPolarHBondContact OD1-CB 3.42Å; N483-H485 PolarHBondContact OD1-N 3.44Å; H485-I487 VanDerWaalsContact C-N 3.28Å; H485-I487 PolarHBondContact O-N 2.93Å; H485-D488 PolarHBondContact O-N 2.89Å; H485-Y489 WeakPolarHBondContact O-CB 3.46Å; H485-Y489 PolarHBondContact O-N 2.78Å
486	H	98.2	Very high	98.2	Very high	29 Å²	29	42.5 Å²	42.5	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-38.7	174.4	-57	144.7	0	0	0	112.1	Y479 N483 K484 A490	Y479-H486 AromaticContact CD1-CE1 3.94Å; Y479-H486 AromaticContact CD1-ND1 3.98Å; Y479-H486 AromaticContact CE1-CE1 3.78Å; N483-H486 PolarHBondContact N-ND1 3.25Å; N483-H486 PolarHBondContact ND2-CE1 3.21Å; N483-H486 PolarHBondContact O-N 2.72Å; N483-H486 PolarHBondContact OD1-N 2.78Å; N483-H486 VanDerWaalsContact OD1-N 3.13Å; K484-H486 VanDerWaalsContact C-N 3.33Å; K484-H486 PolarHBondContact O-N 3.28Å; H486-A490 PolarHBondContact O-N 3.42Å; H486-A490 VanDerWaalsContact O-N 3.1Å
487	I	98.7	Very high	98.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-44.6	178.5	-51.1	-49.7	0	0	0	111.1	L408 Y411 F412 L415 F475 I477 N483 K484 H485 Y489 A490 Y491	L408-I487 HydrophobicContact CB-CD1 4.29Å; L408-I487 HydrophobicContact CB-CG1 4.09Å; L408-I487 HydrophobicContact CD2-CG1 3.99Å; L408-I487 HydrophobicContact CG-CG1 4.45Å; Y411-I487 HydrophobicContact CD1-CB 4.05Å; Y411-I487 HydrophobicContact CD1-CG2 3.86Å; Y411-I487 HydrophobicContact CE1-CB 4.28Å; Y411-I487 HydrophobicContact CE1-CG2 4.27Å; F412-I487 HydrophobicContact CB-CG2 3.64Å; F412-I487 HydrophobicContact CD2-CG2 3.74Å; F412-I487 HydrophobicContact CG-CG2 4.16Å; L415-I487 HydrophobicContact CD1-CG2 4.26Å; F475-I487 HydrophobicContact CE1-CD1 4.13Å; F475-I487 HydrophobicContact CZ-CD1 4.19Å; I477-I487 HydrophobicContact CD1-CD1 3.64Å; N483-I487 PolarHBondContact O-N 3.43Å; K484-I487 WeakPolarHBondContact O-CB 3.19Å; K484-I487 PolarHBondContact O-N 3.05Å; H485-I487 VanDerWaalsContact C-N 3.28Å; H485-I487 PolarHBondContact O-N 2.93Å; I487-Y489 VanDerWaalsContact C-N 3.32Å; I487-Y489 PolarHBondContact O-N 3.06Å; I487-A490 PolarHBondContact O-N 3.04Å; I487-Y491 WeakPolarHBondContact O-CB 3.49Å; I487-Y491 PolarHBondContact O-N 2.74Å
488	D	98.8	Very high	98.2	Very high	59 Å²	59	43 Å²	43	32%	0.316	21%	0.205	S	C	.	.	H	α-helix	trans	-59	-44.1	176.7	-68.4	-34.4	0	0	0	111.1	Y411 K484 H485 Y491 Y492	Y411-D488 VanDerWaalsContact CE1-OD1 3.22Å; Y411-D488 WeakPolarHBondContact CE1-OD1 3.48Å; Y411-D488 VanDerWaalsContact CZ-OD1 3.29Å; Y411-D488 PolarHBondContact OH-OD1 3.27Å; K484-D488 VanDerWaalsContact O-CG 3.24Å; K484-D488 PolarHBondContact O-N 2.98Å; H485-D488 PolarHBondContact O-N 2.89Å; D488-Y491 PolarHBondContact O-N 3.2Å; D488-Y492 VanDerWaalsContact O-CB 3.31Å; D488-Y492 WeakPolarHBondContact O-CB 3.39Å; D488-Y492 PolarHBondContact O-N 2.91Å
489	Y	98.6	Very high	98.1	Very high	74 Å²	74	49.2 Å²	49.2	29%	0.29	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-47.4	176.7	-179.7	-96.3	0	0	0	111.7	H103 R456 I457 H485 I487 Y491 Y492 V493	H103-Y489 AromaticContact CD2-CD1 3.78Å; H103-Y489 AromaticContact CD2-CE1 3.64Å; H103-Y489 AromaticContact CE1-CD1 3.24Å; H103-Y489 WeakPolarHBondContact CE1-CD1 3.5Å; H103-Y489 AromaticContact CE1-CE1 3.91Å; H103-Y489 AromaticContact CE1-CG 3.92Å; H103-Y489 AromaticContact ND1-CD1 3.72Å; H103-Y489 AromaticContact NE2-CD1 3.27Å; H103-Y489 VanDerWaalsContact NE2-CD1 3.27Å; H103-Y489 WeakPolarHBondContact NE2-CD1 3.32Å; H103-Y489 AromaticContact NE2-CE1 3.48Å; H103-Y489 WeakPolarHBondContact NE2-CE1 3.48Å; R456-Y489 HydrophobicContact CB-CE1 4.41Å; R456-Y489 WeakPolarHBondContact CD-OH 3.32Å; I457-Y489 HydrophobicContact CG2-CD1 4.46Å; I457-Y489 HydrophobicContact CG2-CE1 4.32Å; H485-Y489 WeakPolarHBondContact O-CB 3.46Å; H485-Y489 PolarHBondContact O-N 2.78Å; I487-Y489 VanDerWaalsContact C-N 3.32Å; I487-Y489 PolarHBondContact O-N 3.06Å; Y489-Y491 PolarHBondContact O-N 3.14Å; Y489-Y492 WeakPolarHBondContact O-CB 3.13Å; Y489-Y492 PolarHBondContact O-N 3.49Å; Y489-V493 HydrophobicContact CD1-CG2 4.23Å; Y489-V493 HydrophobicContact CE1-CG2 3.89Å; Y489-V493 WeakPolarHBondContact O-CG2 3.41Å; Y489-V493 PolarHBondContact O-N 3.23Å
490	A	98.6	Very high	98.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-41.5	179.5	0	0	0	0	0	112.2	I457 F475 H486 I487 V493 I494	I457-A490 HydrophobicContact CD1-CB 4.44Å; I457-A490 HydrophobicContact CG2-CB 4.18Å; F475-A490 HydrophobicContact CE2-CB 3.64Å; F475-A490 HydrophobicContact CZ-CB 3.91Å; H486-A490 PolarHBondContact O-N 3.42Å; H486-A490 VanDerWaalsContact O-N 3.1Å; I487-A490 PolarHBondContact O-N 3.04Å; A490-V493 PolarHBondContact O-N 3.41Å; A490-I494 WeakPolarHBondContact O-CD1 3.34Å; A490-I494 VanDerWaalsContact O-CG1 3.3Å; A490-I494 WeakPolarHBondContact O-CG1 3.38Å; A490-I494 PolarHBondContact O-N 2.96Å; A490-I494 VanDerWaalsContact O-N 3.08Å
491	Y	98.8	Very high	98.2	Very high	45 Å²	45	49.3 Å²	49.3	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-42.7	172.3	172.2	-105.3	0	0	0	112	L415 I416 D419 I487 D488 Y489 V493 I494 S495	L415-Y491 HydrophobicContact CB-CD1 4.31Å; L415-Y491 HydrophobicContact CB-CD2 3.93Å; L415-Y491 HydrophobicContact CB-CE1 4.44Å; L415-Y491 HydrophobicContact CB-CE2 4.1Å; L415-Y491 HydrophobicContact CB-CG 4.05Å; L415-Y491 HydrophobicContact CD1-CD1 4.15Å; L415-Y491 HydrophobicContact CD1-CG 3.99Å; L415-Y491 HydrophobicContact CD2-CD1 4.43Å; L415-Y491 HydrophobicContact CD2-CE1 4.49Å; I416-Y491 HydrophobicContact CD1-CD2 4.05Å; I416-Y491 HydrophobicContact CD1-CE2 4.17Å; D419-Y491 PolarHBondContact OD2-OH 2.74Å; I487-Y491 WeakPolarHBondContact O-CB 3.49Å; I487-Y491 PolarHBondContact O-N 2.74Å; D488-Y491 PolarHBondContact O-N 3.2Å; Y489-Y491 PolarHBondContact O-N 3.14Å; Y491-V493 VanDerWaalsContact C-N 3.35Å; Y491-V493 PolarHBondContact O-N 2.66Å; Y491-I494 PolarHBondContact O-N 2.93Å; Y491-S495 WeakPolarHBondContact O-CB 3.17Å; Y491-S495 PolarHBondContact O-N 3.45Å
492	Y	98.7	Very high	98.1	Very high	128 Å²	128	48 Å²	48	50%	0.502	22%	0.219	S	C	.	.	H	α-helix	trans	-56.1	-47.9	175.1	166	-95.7	0	0	0	111.4	D488 Y489 I494 S495 E496	D488-Y492 VanDerWaalsContact O-CB 3.31Å; D488-Y492 WeakPolarHBondContact O-CB 3.39Å; D488-Y492 PolarHBondContact O-N 2.91Å; Y489-Y492 WeakPolarHBondContact O-CB 3.13Å; Y489-Y492 PolarHBondContact O-N 3.49Å; Y492-I494 PolarHBondContact O-N 3.35Å; Y492-S495 PolarHBondContact O-N 2.93Å; Y492-E496 VanDerWaalsContact CE1-OE2 3.27Å; Y492-E496 WeakPolarHBondContact CE1-OE2 3.31Å; Y492-E496 VanDerWaalsContact O-CB 3.23Å; Y492-E496 WeakPolarHBondContact O-CB 3.16Å; Y492-E496 PolarHBondContact O-N 3.39Å; Y492-E496 PolarHBondContact OH-OE2 3.34Å; Y492-E496 VanDerWaalsContact OH-OE2 3.06Å
493	V	98.5	Very high	98	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-49.4	177.6	174.2	0	0	0	0	111	R456 I457 Y489 A490 Y491 S495 E496 L497	R456-V493 HydrophobicContact CB-CG1 4.3Å; R456-V493 HydrophobicContact CB-CG2 4.09Å; I457-V493 HydrophobicContact CD1-CB 4.25Å; I457-V493 HydrophobicContact CD1-CG1 4.06Å; I457-V493 HydrophobicContact CG1-CG1 4.14Å; I457-V493 HydrophobicContact CG2-CB 4.32Å; I457-V493 HydrophobicContact CG2-CG1 4.4Å; I457-V493 HydrophobicContact CG2-CG2 4.23Å; Y489-V493 HydrophobicContact CD1-CG2 4.23Å; Y489-V493 HydrophobicContact CE1-CG2 3.89Å; Y489-V493 WeakPolarHBondContact O-CG2 3.41Å; Y489-V493 PolarHBondContact O-N 3.23Å; A490-V493 PolarHBondContact O-N 3.41Å; Y491-V493 VanDerWaalsContact C-N 3.35Å; Y491-V493 PolarHBondContact O-N 2.66Å; V493-S495 PolarHBondContact O-N 2.94Å; V493-E496 PolarHBondContact O-N 3.19Å; V493-L497 HydrophobicContact CG1-CD1 3.91Å; V493-L497 WeakPolarHBondContact O-CB 3.29Å; V493-L497 WeakPolarHBondContact O-CG 3.41Å; V493-L497 PolarHBondContact O-N 3.08Å
494	I	98.7	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-46.9	178.5	-67.5	162.7	0	0	0	111	F412 F422 F435 L447 I451 I457 L459 F475 A490 Y491 Y492 C498	F412-I494 HydrophobicContact CE2-CD1 4.03Å; F412-I494 HydrophobicContact CZ-CD1 3.8Å; F422-I494 HydrophobicContact CE1-CG2 4.35Å; F422-I494 HydrophobicContact CE2-CG2 4.41Å; F422-I494 HydrophobicContact CZ-CG2 3.8Å; F435-I494 HydrophobicContact CE1-CD1 4.38Å; F435-I494 HydrophobicContact CE2-CG2 3.77Å; F435-I494 HydrophobicContact CZ-CD1 3.82Å; F435-I494 HydrophobicContact CZ-CG1 4.41Å; F435-I494 HydrophobicContact CZ-CG2 3.96Å; L447-I494 HydrophobicContact CD2-CG2 4.47Å; I451-I494 HydrophobicContact CD1-CG1 4.01Å; I457-I494 HydrophobicContact CD1-CD1 4.06Å; I457-I494 HydrophobicContact CD1-CG1 3.71Å; L459-I494 HydrophobicContact CD1-CD1 4.22Å; L459-I494 HydrophobicContact CD1-CG1 4.36Å; F475-I494 HydrophobicContact CD2-CD1 4.38Å; A490-I494 WeakPolarHBondContact O-CD1 3.34Å; A490-I494 VanDerWaalsContact O-CG1 3.3Å; A490-I494 WeakPolarHBondContact O-CG1 3.38Å; A490-I494 PolarHBondContact O-N 2.96Å; A490-I494 VanDerWaalsContact O-N 3.08Å; Y491-I494 PolarHBondContact O-N 2.93Å; Y492-I494 PolarHBondContact O-N 3.35Å; I494-C498 WeakPolarHBondContact O-CB 3.31Å; I494-C498 PolarHBondContact O-N 3.05Å
495	S	98.5	Very high	96.9	Very high	25 Å²	25	50 Å²	50	18%	0.175	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-41.6	-178.5	177.7	0	0	0	0	112.5	R421 Y491 Y492 V493 K499	R421-S495 PolarHBondContact NH1-O 3.01Å; R421-S495 PolarHBondContact NH2-OG 3.24Å; Y491-S495 WeakPolarHBondContact O-CB 3.17Å; Y491-S495 PolarHBondContact O-N 3.45Å; Y492-S495 PolarHBondContact O-N 2.93Å; V493-S495 PolarHBondContact O-N 2.94Å; S495-K499 WeakPolarHBondContact O-CB 3.14Å; S495-K499 PolarHBondContact O-N 3.14Å
496	E	98.5	Very high	96.2	Very high	38 Å²	38	47.9 Å²	47.9	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-50.3	176.7	-171.5	-154.3	131.9	0	0	111	R456 Y492 V493 K499 K500	R456-E496 IonicContact CZ-OE2 3.51Å; R456-E496 IonicContact NH1-OE2 2.86Å; R456-E496 PolarHBondContact NH1-OE2 3.26Å; R456-E496 IonicContact NH2-OE1 3.72Å; R456-E496 PolarHBondContact NH2-OE1 3.32Å; R456-E496 IonicContact NH2-OE2 3.18Å; R456-E496 PolarHBondContact NH2-OE2 3.09Å; Y492-E496 VanDerWaalsContact CE1-OE2 3.27Å; Y492-E496 WeakPolarHBondContact CE1-OE2 3.31Å; Y492-E496 VanDerWaalsContact O-CB 3.23Å; Y492-E496 WeakPolarHBondContact O-CB 3.16Å; Y492-E496 PolarHBondContact O-N 3.39Å; Y492-E496 PolarHBondContact OH-OE2 3.34Å; Y492-E496 VanDerWaalsContact OH-OE2 3.06Å; V493-E496 PolarHBondContact O-N 3.19Å; E496-K499 WeakPolarHBondContact O-CB 3.49Å; E496-K499 PolarHBondContact O-N 3.08Å; E496-K500 PolarHBondContact O-N 3.29Å; E496-K500 WeakPolarHBondContact OE1-CE 3.42Å; E496-K500 IonicContact OE1-NZ 3.8Å; E496-K500 PolarHBondContact OE1-NZ 3.36Å
497	L	98.4	Very high	95.4	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-40.3	179.9	-67.8	173.7	0	0	0	111.7	L447 I451 D454 V493 K499 K500 L501	L447-L497 HydrophobicContact CD1-CB 4Å; I451-L497 HydrophobicContact CB-CD1 4.21Å; I451-L497 HydrophobicContact CG1-CD1 3.61Å; D454-L497 HydrophobicContact CB-CD1 3.9Å; D454-L497 HydrophobicContact CB-CD2 4.34Å; V493-L497 HydrophobicContact CG1-CD1 3.91Å; V493-L497 WeakPolarHBondContact O-CB 3.29Å; V493-L497 WeakPolarHBondContact O-CG 3.41Å; V493-L497 PolarHBondContact O-N 3.08Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 2.85Å; L497-K500 PolarHBondContact O-N 2.91Å; L497-L501 WeakPolarHBondContact O-CB 3.32Å; L497-L501 PolarHBondContact O-N 3.24Å
498	C	98.4	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-41.6	172.6	179.7	0	0	0	0	111.6	F422 L447 I494 L501 L502	F422-C498 HydrophobicContact CE1-CB 4.28Å; F422-C498 HydrophobicContact CE2-CB 4.47Å; F422-C498 HydrophobicContact CZ-CB 3.6Å; F422-C498 VanDerWaalsContact CZ-SG 3.54Å; L447-C498 HydrophobicContact CD1-CB 3.97Å; L447-C498 HydrophobicContact CD2-CB 4.17Å; I494-C498 WeakPolarHBondContact O-CB 3.31Å; I494-C498 PolarHBondContact O-N 3.05Å; C498-L501 PolarHBondContact O-N 2.94Å; C498-L502 VanDerWaalsContact O-CG 3.31Å; C498-L502 WeakPolarHBondContact O-CG 3.35Å; C498-L502 PolarHBondContact O-N 2.83Å
499	K	97.8	Very high	93.3	Very high	135 Å²	135	58.8 Å²	58.8	59%	0.587	28%	0.278	S	S	*	.	H	α-helix	trans	-62	-46	176	-176.5	179.5	178.7	179.4	0	111.6	S495 E496 L497 L502 L503	S495-K499 WeakPolarHBondContact O-CB 3.14Å; S495-K499 PolarHBondContact O-N 3.14Å; E496-K499 WeakPolarHBondContact O-CB 3.49Å; E496-K499 PolarHBondContact O-N 3.08Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 2.85Å; K499-L502 PolarHBondContact O-N 2.97Å; K499-L503 HydrophobicContact CG-CD1 4.19Å; K499-L503 VanDerWaalsContact O-CG 3.29Å; K499-L503 WeakPolarHBondContact O-CG 3.33Å; K499-L503 PolarHBondContact O-N 2.98Å; K499-L503 VanDerWaalsContact O-N 3.08Å
500	K	97.1	Very high	91.9	Very high	102 Å²	102	60 Å²	60	44%	0.443	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-46.1	176.6	-71	179.5	-172.2	169.6	0	111.3	E496 L497 L503 Q504	E496-K500 PolarHBondContact O-N 3.29Å; E496-K500 WeakPolarHBondContact OE1-CE 3.42Å; E496-K500 IonicContact OE1-NZ 3.8Å; E496-K500 PolarHBondContact OE1-NZ 3.36Å; L497-K500 PolarHBondContact O-N 2.91Å; K500-L503 PolarHBondContact O-N 3.38Å; K500-Q504 WeakPolarHBondContact O-CG 3.44Å; K500-Q504 PolarHBondContact O-N 2.99Å
501	L	97.3	Very high	90.4	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-49.7	178.3	173.3	58.9	0	0	0	112.3	I437 L443 E446 L447 L497 C498 L503 Q504 S505	I437-L501 HydrophobicContact CD1-CD2 4.2Å; L443-L501 HydrophobicContact CD2-CD1 4.26Å; L443-L501 HydrophobicContact CD2-CD2 4.34Å; L443-L501 HydrophobicContact CD2-CG 4.25Å; L443-L501 WeakPolarHBondContact O-CD2 3.28Å; E446-L501 HydrophobicContact CB-CD1 4.15Å; E446-L501 HydrophobicContact CB-CD2 4.15Å; E446-L501 HydrophobicContact CG-CD1 3.65Å; E446-L501 HydrophobicContact CG-CD2 4.41Å; E446-L501 WeakPolarHBondContact OE1-CD1 3.35Å; E446-L501 WeakPolarHBondContact OE2-CD1 3.42Å; L447-L501 HydrophobicContact CB-CD2 3.88Å; L497-L501 WeakPolarHBondContact O-CB 3.32Å; L497-L501 PolarHBondContact O-N 3.24Å; C498-L501 PolarHBondContact O-N 2.94Å; L501-L503 VanDerWaalsContact C-N 3.33Å; L501-L503 PolarHBondContact O-N 3.39Å; L501-Q504 PolarHBondContact O-N 3.04Å; L501-S505 PolarHBondContact O-N 3.04Å
502	L	94.8	Very high	88.8	Confident	43 Å²	43	70.2 Å²	70.2	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-35.5	-179.8	-67.4	176.5	0	0	0	112.5	R421 L443 C498 K499 S505 N506	R421-L502 HydrophobicContact CG-CD1 3.98Å; L443-L502 HydrophobicContact CD1-CD2 3.87Å; C498-L502 VanDerWaalsContact O-CG 3.31Å; C498-L502 WeakPolarHBondContact O-CG 3.35Å; C498-L502 PolarHBondContact O-N 2.83Å; K499-L502 PolarHBondContact O-N 2.97Å; L502-S505 PolarHBondContact O-N 3.29Å; L502-N506 WeakPolarHBondContact O-CB 3.4Å; L502-N506 VanDerWaalsContact O-CG 3.26Å; L502-N506 PolarHBondContact O-N 3.07Å; L502-N506 PolarHBondContact O-ND2 3.41Å
503	L	93.5	Very high	87.2	Confident	98 Å²	98	66.9 Å²	66.9	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-43.1	173.4	-72.8	170.4	0	0	0	111.6	K499 K500 L501 N506 L507	K499-L503 HydrophobicContact CG-CD1 4.19Å; K499-L503 VanDerWaalsContact O-CG 3.29Å; K499-L503 WeakPolarHBondContact O-CG 3.33Å; K499-L503 PolarHBondContact O-N 2.98Å; K499-L503 VanDerWaalsContact O-N 3.08Å; K500-L503 PolarHBondContact O-N 3.38Å; L501-L503 VanDerWaalsContact C-N 3.33Å; L501-L503 PolarHBondContact O-N 3.39Å; L503-N506 PolarHBondContact O-N 2.83Å; L503-L507 WeakPolarHBondContact O-CB 3.48Å; L503-L507 VanDerWaalsContact O-CG 3.26Å; L503-L507 WeakPolarHBondContact O-CG 3.22Å; L503-L507 PolarHBondContact O-N 2.62Å
504	Q	90	Very high	85.6	Confident	103 Å²	103	71.4 Å²	71.4	48%	0.481	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-45	175.8	-72.8	172.4	-18.1	0	0	111.7	K500 L501 N506 L507 I508	K500-Q504 WeakPolarHBondContact O-CG 3.44Å; K500-Q504 PolarHBondContact O-N 2.99Å; L501-Q504 PolarHBondContact O-N 3.04Å; Q504-N506 VanDerWaalsContact C-N 3.34Å; Q504-N506 PolarHBondContact O-N 3.44Å; Q504-L507 PolarHBondContact O-N 3.04Å; Q504-I508 WeakPolarHBondContact O-CG1 3.25Å; Q504-I508 PolarHBondContact O-N 3.35Å
505	S	85.3	Confident	83.7	Confident	24 Å²	24	77.3 Å²	77.3	17%	0.168	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-42.7	176.4	-169.8	0	0	0	0	111.9	L501 L502 I508 K509	L501-S505 PolarHBondContact O-N 3.04Å; L502-S505 PolarHBondContact O-N 3.29Å; S505-I508 PolarHBondContact O-N 3.09Å; S505-K509 WeakPolarHBondContact O-CG 3.18Å; S505-K509 PolarHBondContact O-N 3.26Å
506	N	82.7	Confident	82.1	Confident	86 Å²	86	82 Å²	82	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-67.6	-37.9	176.6	-73.5	-19.4	0	0	0	112.7	L502 L503 Q504 I508 K509 N510	L502-N506 WeakPolarHBondContact O-CB 3.4Å; L502-N506 VanDerWaalsContact O-CG 3.26Å; L502-N506 PolarHBondContact O-N 3.07Å; L502-N506 PolarHBondContact O-ND2 3.41Å; L503-N506 PolarHBondContact O-N 2.83Å; Q504-N506 VanDerWaalsContact C-N 3.34Å; Q504-N506 PolarHBondContact O-N 3.44Å; N506-I508 VanDerWaalsContact C-N 3.34Å; N506-K509 PolarHBondContact O-N 3.04Å; N506-N510 WeakPolarHBondContact O-CB 3.33Å; N506-N510 PolarHBondContact O-N 3.09Å
507	L	81.5	Confident	80.5	Confident	105 Å²	105	84 Å²	84	55%	0.55	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-38.5	174.5	-74.2	166.4	0	0	0	111.9	L503 Q504 K511	L503-L507 WeakPolarHBondContact O-CB 3.48Å; L503-L507 VanDerWaalsContact O-CG 3.26Å; L503-L507 WeakPolarHBondContact O-CG 3.22Å; L503-L507 PolarHBondContact O-N 2.62Å; Q504-L507 PolarHBondContact O-N 3.04Å; L507-K511 WeakPolarHBondContact O-CG 3.14Å; L507-K511 PolarHBondContact O-N 3.26Å
508	I	77.6	Confident	79	Confident	97 Å²	97	87.4 Å²	87.4	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-46.2	175.9	-66.5	165.1	0	0	0	110.3	Q504 S505 N506 N510 K511 Q512	Q504-I508 WeakPolarHBondContact O-CG1 3.25Å; Q504-I508 PolarHBondContact O-N 3.35Å; S505-I508 PolarHBondContact O-N 3.09Å; N506-I508 VanDerWaalsContact C-N 3.34Å; I508-N510 PolarHBondContact O-N 3.12Å; I508-K511 PolarHBondContact O-N 3.01Å; I508-Q512 WeakPolarHBondContact O-CG 3.17Å; I508-Q512 PolarHBondContact O-N 2.81Å
509	K	75.5	Confident	77.5	Confident	117 Å²	117	91.5 Å²	91.5	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-60.6	-42.4	175.9	-73.3	178.7	-177.3	-179.4	0	112.4	S505 N506 K511 Q512 C513	S505-K509 WeakPolarHBondContact O-CG 3.18Å; S505-K509 PolarHBondContact O-N 3.26Å; N506-K509 PolarHBondContact O-N 3.04Å; K509-K511 VanDerWaalsContact C-N 3.35Å; K509-K511 PolarHBondContact O-N 2.9Å; K509-Q512 PolarHBondContact O-N 2.69Å; K509-C513 WeakPolarHBondContact O-CB 3.34Å; K509-C513 PolarHBondContact O-N 3.24Å
510	N	69.9	Low	76	Confident	99 Å²	99	89.8 Å²	89.8	53%	0.529	45%	0.45	S	S	.	.	H	α-helix	trans	-66.5	-35.8	176.8	-72.2	-10.1	0	0	0	112.2	N506 I508 N514	N506-N510 WeakPolarHBondContact O-CB 3.33Å; N506-N510 PolarHBondContact O-N 3.09Å; I508-N510 PolarHBondContact O-N 3.12Å; N510-N514 VanDerWaalsContact O-CB 3.29Å; N510-N514 WeakPolarHBondContact O-CB 3.32Å; N510-N514 PolarHBondContact O-N 2.71Å; N510-N514 PolarHBondContact O-ND2 3.42Å
511	K	66.3	Low	74.5	Confident	144 Å²	144	91.4 Å²	91.4	63%	0.626	46%	0.46	S	S	*	.	H	α-helix	trans	-67.9	-39.3	173.1	-77.2	-179.5	178.6	-176.5	0	112.2	L507 I508 K509 H515	L507-K511 WeakPolarHBondContact O-CG 3.14Å; L507-K511 PolarHBondContact O-N 3.26Å; I508-K511 PolarHBondContact O-N 3.01Å; K509-K511 VanDerWaalsContact C-N 3.35Å; K509-K511 PolarHBondContact O-N 2.9Å; K511-H515 WeakPolarHBondContact O-CB 3.33Å; K511-H515 PolarHBondContact O-CD2 3.01Å; K511-H515 VanDerWaalsContact O-CD2 3.22Å; K511-H515 PolarHBondContact O-N 3.28Å
512	Q	65.9	Low	73	Confident	115 Å²	115	96 Å²	96	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-45.5	175.4	-74.9	175.3	-18	0	0	111.5	I508 K509 H515 E516	I508-Q512 WeakPolarHBondContact O-CG 3.17Å; I508-Q512 PolarHBondContact O-N 2.81Å; K509-Q512 PolarHBondContact O-N 2.69Å; Q512-H515 WeakPolarHBondContact O-CB 3.25Å; Q512-H515 PolarHBondContact O-N 3.34Å; Q512-H515 VanDerWaalsContact O-N 3.12Å; Q512-E516 PolarHBondContact O-N 3.37Å
513	C	64.1	Low	71.6	Confident	59 Å²	59	98.6 Å²	98.6	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-62.8	-43.5	176.3	-168.1	0	0	0	0	111.4	K509 H515 E516 D517	K509-C513 WeakPolarHBondContact O-CB 3.34Å; K509-C513 PolarHBondContact O-N 3.24Å; C513-H515 VanDerWaalsContact C-N 3.3Å; C513-H515 PolarHBondContact O-N 3.16Å; C513-E516 PolarHBondContact O-N 3.42Å; C513-D517 WeakPolarHBondContact O-CB 3.37Å; C513-D517 PolarHBondContact O-N 2.79Å
514	N	64.7	Low	70.3	Confident	95 Å²	95	98.5 Å²	98.5	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-62.2	-35.8	173.2	-74.1	-11.8	0	0	0	112.4	N510 I518	N510-N514 VanDerWaalsContact O-CB 3.29Å; N510-N514 WeakPolarHBondContact O-CB 3.32Å; N510-N514 PolarHBondContact O-N 2.71Å; N510-N514 PolarHBondContact O-ND2 3.42Å; N514-I518 VanDerWaalsContact O-CB 3.25Å; N514-I518 WeakPolarHBondContact O-CB 3.23Å; N514-I518 VanDerWaalsContact O-CD1 3.32Å; N514-I518 WeakPolarHBondContact O-CD1 3.31Å; N514-I518 WeakPolarHBondContact O-CG1 3.28Å; N514-I518 PolarHBondContact O-N 2.87Å
515	H	59.9	Low	69	Low	123 Å²	123	98.5 Å²	98.5	57%	0.569	50%	0.502	S	S	*	.	H	α-helix	trans	-69.7	-39.5	174.8	-90.5	-63.6	0	0	0	112.4	K511 Q512 C513 I518 N519	K511-H515 WeakPolarHBondContact O-CB 3.33Å; K511-H515 PolarHBondContact O-CD2 3.01Å; K511-H515 VanDerWaalsContact O-CD2 3.22Å; K511-H515 PolarHBondContact O-N 3.28Å; Q512-H515 WeakPolarHBondContact O-CB 3.25Å; Q512-H515 PolarHBondContact O-N 3.34Å; Q512-H515 VanDerWaalsContact O-N 3.12Å; C513-H515 VanDerWaalsContact C-N 3.3Å; C513-H515 PolarHBondContact O-N 3.16Å; H515-I518 PolarHBondContact O-N 3.36Å; H515-N519 VanDerWaalsContact O-CB 3.3Å; H515-N519 WeakPolarHBondContact O-CB 3.24Å; H515-N519 PolarHBondContact O-N 3.06Å; H515-N519 PolarHBondContact O-ND2 3.23Å
516	E	64	Low	68	Low	124 Å²	124	104.3 Å²	104.3	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-41.9	174.1	-73.6	178.4	171.5	0	0	111.3	Q512 C513 N519 L520	Q512-E516 PolarHBondContact O-N 3.37Å; C513-E516 PolarHBondContact O-N 3.42Å; E516-N519 PolarHBondContact O-N 3.01Å; E516-L520 WeakPolarHBondContact O-CB 3.34Å; E516-L520 PolarHBondContact O-N 3.01Å
517	D	66.6	Low	67	Low	79 Å²	79	106.3 Å²	106.3	42%	0.422	54%	0.537	S	S	.	.	H	α-helix	trans	-65.9	-40.9	175.3	-74.9	-23.2	0	0	0	111.7	C513 L520 M521	C513-D517 WeakPolarHBondContact O-CB 3.37Å; C513-D517 PolarHBondContact O-N 2.79Å; D517-L520 PolarHBondContact O-N 3.38Å; D517-M521 WeakPolarHBondContact O-CB 3.48Å; D517-M521 VanDerWaalsContact O-CG 3.31Å; D517-M521 WeakPolarHBondContact O-CG 3.33Å; D517-M521 PolarHBondContact O-N 3.07Å
518	I	67	Low	65.7	Low	85 Å²	85	107.7 Å²	107.7	44%	0.436	55%	0.545	S	S	.	.	H	α-helix	trans	-63.5	-43.2	172.9	-72.9	164.6	0	0	0	110	N514 H515 L520 M521 L522	N514-I518 VanDerWaalsContact O-CB 3.25Å; N514-I518 WeakPolarHBondContact O-CB 3.23Å; N514-I518 VanDerWaalsContact O-CD1 3.32Å; N514-I518 WeakPolarHBondContact O-CD1 3.31Å; N514-I518 WeakPolarHBondContact O-CG1 3.28Å; N514-I518 PolarHBondContact O-N 2.87Å; H515-I518 PolarHBondContact O-N 3.36Å; I518-L520 PolarHBondContact O-N 3.47Å; I518-M521 PolarHBondContact O-N 3.29Å; I518-L522 HydrophobicContact CG2-CD1 3.78Å; I518-L522 HydrophobicContact CG2-CG 4.3Å; I518-L522 WeakPolarHBondContact O-CB 3.41Å; I518-L522 VanDerWaalsContact O-CG 3.22Å; I518-L522 WeakPolarHBondContact O-CG 3.47Å; I518-L522 PolarHBondContact O-N 3.04Å
519	N	65.7	Low	64.2	Low	86 Å²	86	112.8 Å²	112.8	46%	0.46	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-39.4	177	-72.6	-21.9	0	0	0	111.5	H515 E516 L522 L523	H515-N519 VanDerWaalsContact O-CB 3.3Å; H515-N519 WeakPolarHBondContact O-CB 3.24Å; H515-N519 PolarHBondContact O-N 3.06Å; H515-N519 PolarHBondContact O-ND2 3.23Å; E516-N519 PolarHBondContact O-N 3.01Å; N519-L522 PolarHBondContact O-N 2.88Å; N519-L523 WeakPolarHBondContact O-CB 3.23Å; N519-L523 WeakPolarHBondContact O-CD1 3.33Å; N519-L523 WeakPolarHBondContact O-CG 3.49Å; N519-L523 PolarHBondContact O-N 3.12Å
520	L	67.3	Low	63.6	Low	99 Å²	99	112.6 Å²	112.6	52%	0.518	58%	0.576	S	S	.	*	H	α-helix	trans	-66.3	-39.1	173.6	-99.7	135.3	0	0	0	112.4	E516 D517 I518 N524	E516-L520 WeakPolarHBondContact O-CB 3.34Å; E516-L520 PolarHBondContact O-N 3.01Å; D517-L520 PolarHBondContact O-N 3.38Å; I518-L520 PolarHBondContact O-N 3.47Å; L520-N524 WeakPolarHBondContact O-CB 3.31Å; L520-N524 VanDerWaalsContact O-CG 3.28Å; L520-N524 PolarHBondContact O-N 3.3Å; L520-N524 PolarHBondContact O-ND2 3.38Å
521	M	64.8	Low	63.3	Low	136 Å²	136	113.3 Å²	113.3	67%	0.67	58%	0.578	S	S	*	*	H	α-helix	trans	-68.1	-38.1	174.7	-76.8	-171.7	178.5	0	0	112.1	D517 I518 N524 N525	D517-M521 WeakPolarHBondContact O-CB 3.48Å; D517-M521 VanDerWaalsContact O-CG 3.31Å; D517-M521 WeakPolarHBondContact O-CG 3.33Å; D517-M521 PolarHBondContact O-N 3.07Å; I518-M521 PolarHBondContact O-N 3.29Å; M521-N524 PolarHBondContact O-N 3.22Å; M521-N525 PolarHBondContact O-N 2.98Å
522	L	66.1	Low	63.1	Low	98 Å²	98	111.6 Å²	111.6	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-66.9	-42.9	175.1	-71.3	169.5	0	0	0	111.1	I518 N519 N524 N525 E526	I518-L522 HydrophobicContact CG2-CD1 3.78Å; I518-L522 HydrophobicContact CG2-CG 4.3Å; I518-L522 WeakPolarHBondContact O-CB 3.41Å; I518-L522 VanDerWaalsContact O-CG 3.22Å; I518-L522 WeakPolarHBondContact O-CG 3.47Å; I518-L522 PolarHBondContact O-N 3.04Å; N519-L522 PolarHBondContact O-N 2.88Å; L522-N524 VanDerWaalsContact C-N 3.33Å; L522-N524 PolarHBondContact O-N 2.87Å; L522-N525 PolarHBondContact O-N 3.47Å; L522-E526 PolarHBondContact O-N 3.33Å
523	L	65.8	Low	62.9	Low	99 Å²	99	111.4 Å²	111.4	52%	0.518	58%	0.578	S	S	.	*	H	α-helix	trans	-64.2	-33.9	174.9	-74	163.6	0	0	0	113	N519 N527	N519-L523 WeakPolarHBondContact O-CB 3.23Å; N519-L523 WeakPolarHBondContact O-CD1 3.33Å; N519-L523 WeakPolarHBondContact O-CG 3.49Å; N519-L523 PolarHBondContact O-N 3.12Å; L523-N527 PolarHBondContact O-N 3.4Å; L523-N527 PolarHBondContact O-ND2 3.05Å; L523-N527 VanDerWaalsContact O-ND2 3.12Å
524	N	65.9	Low	62.9	Low	95 Å²	95	114.6 Å²	114.6	51%	0.508	59%	0.589	S	S	.	*	H	α-helix	trans	-77.3	-24.7	176.5	-75.5	-23.3	0	0	0	113.3	L520 M521 L522 N528	L520-N524 WeakPolarHBondContact O-CB 3.31Å; L520-N524 VanDerWaalsContact O-CG 3.28Å; L520-N524 PolarHBondContact O-N 3.3Å; L520-N524 PolarHBondContact O-ND2 3.38Å; M521-N524 PolarHBondContact O-N 3.22Å; L522-N524 VanDerWaalsContact C-N 3.33Å; L522-N524 PolarHBondContact O-N 2.87Å; N524-N528 PolarHBondContact O-ND2 3.38Å; N524-N528 VanDerWaalsContact O-ND2 3.15Å
525	N	62.4	Low	62.7	Low	104 Å²	104	115.9 Å²	115.9	56%	0.556	60%	0.595	S	S	*	*	H	α-helix	trans	-80.9	-29.2	173.6	-82.7	-20	0	0	0	112.6	M521 L522 N527 N528	M521-N525 PolarHBondContact O-N 2.98Å; L522-N525 PolarHBondContact O-N 3.47Å; N525-N527 VanDerWaalsContact C-N 3.29Å; N525-N528 PolarHBondContact O-N 3.47Å
526	E	64.4	Low	62.9	Low	145 Å²	145	115.4 Å²	115.4	68%	0.678	60%	0.597	S	S	*	*	H	α-helix	trans	-72.2	-21.6	173.3	-73.7	-174.8	169.1	0	0	113.2	L522	L522-E526 PolarHBondContact O-N 3.33Å
527	N	61.5	Low	62.9	Low	128 Å²	128	114.8 Å²	114.8	68%	0.684	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-3	174.8	-74.8	-44.7	0	0	0	114.4	L523 N525	L523-N527 PolarHBondContact O-N 3.4Å; L523-N527 PolarHBondContact O-ND2 3.05Å; L523-N527 VanDerWaalsContact O-ND2 3.12Å; N525-N527 VanDerWaalsContact C-N 3.29Å
528	N	55.3	Low	62.5	Low	134 Å²	134	117.8 Å²	117.8	72%	0.717	61%	0.612	S	S	*	*			trans	-114.9	8.4	-179.2	-81.7	-41.1	0	0	0	114.2	N524 N525	N524-N528 PolarHBondContact O-ND2 3.38Å; N524-N528 VanDerWaalsContact O-ND2 3.15Å; N525-N528 PolarHBondContact O-N 3.47Å
529	N	44.3	Very low	62.1	Low	204 Å²	204	120.7 Å²	120.7	100%	1.091	63%	0.628	S	S	*	*			trans	-115.4	0	165.7	-74.1	-41.1	0	0	0	109.2

Retrieved 529 of 529 residues in 774.8 ms (Link to these results)

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