A0A087XGV0_POEFO Loading...

Carbohydrate sulfotransferase

AlphaFold DB , UniProt , Accession A0A087XGV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	46.4	Very low	236 Å²	236	170 Å²	170	100%	1.163	85%	0.851	S	S	*	*				0	88.4	0	-65.1	175.5	-59.5	0	0	106.4
2	K	43.6	Very low	47.9	Very low	205 Å²	205	161 Å²	161	89%	0.891	82%	0.816	S	S	*	*				41.5	123	70.3	-84.6	-169.1	179.8	-178.9	0	114.4
3	Q	45.1	Very low	48.9	Very low	185 Å²	185	165.2 Å²	165.2	86%	0.864	82%	0.816	S	S	*	*			trans	74.2	113.6	178.2	-64.5	166	-34	0	0	112.3
4	T	46.5	Very low	49.9	Very low	125 Å²	125	162 Å²	162	77%	0.767	80%	0.802	S	S	*	*				-162.8	72	71.5	48.1	0	0	0	0	112.6
5	L	43.4	Very low	50.5	Low	188 Å²	188	154.1 Å²	154.1	98%	0.984	77%	0.768	S	S	*	*	S	Bend	trans	-112.5	28.4	167.7	-150.9	82.6	0	0	0	111.9
6	G	40.7	Very low	51.3	Low	68 Å²	68	153.9 Å²	153.9	70%	0.701	76%	0.755	S	S	*	*	S	Bend	trans	-118.4	-1.8	-174.5	0	0	0	0	0	115.5
7	E	41.1	Very low	51.9	Low	179 Å²	179	153.4 Å²	153.4	84%	0.836	75%	0.753	S	S	*	*	S	Bend	trans	-114.6	5	-172.1	-69.9	-163.9	152.7	0	0	115.4	M9	E7-M9 VanDerWaalsContact C-N 3.28Å; E7-M9 PolarHBondContact O-N 3.41Å
8	L	45.5	Very low	52.6	Low	178 Å²	178	150.3 Å²	150.3	93%	0.932	74%	0.739	S	S	*	*	S	Bend	trans	-90.8	19.9	174.2	-148.4	85.3	0	0	0	113.6
9	M	52.3	Low	53.3	Low	176 Å²	176	149.5 Å²	149.5	87%	0.867	73%	0.732	S	S	*	*	S	Bend	trans	-145.8	36.5	-173.5	-116.7	-179.6	52.1	0	0	114.7	E7	E7-M9 VanDerWaalsContact C-N 3.28Å; E7-M9 PolarHBondContact O-N 3.41Å
10	R	55.3	Low	54.1	Low	236 Å²	236	145.4 Å²	145.4	89%	0.891	72%	0.723	S	S	*	*			trans	-133.2	52.5	166.4	-138	176.6	-172.7	-174.2	1.6	112.5	S12	R10-S12 PolarHBondContact O-N 3.17Å; R10-S12 VanDerWaalsContact O-N 3.17Å
11	M	56.4	Low	54.8	Low	94 Å²	94	142.4 Å²	142.4	46%	0.463	71%	0.713	S	S	.	*			trans	-59	120.5	159.1	-75.4	-135.6	109.3	0	0	108.8	C15 R16 F19	M11-C15 HydrophobicContact CB-CB 4.26Å; M11-C15 HydrophobicContact CE-CB 3.64Å; M11-C15 WeakPolarHBondContact CE-SG 3.36Å; M11-C15 HydrophobicContact SD-CB 3.98Å; M11-R16 HydrophobicContact CB-CG 4.27Å; M11-R16 PolarHBondContact O-NE 3.42Å; M11-R16 PolarHBondContact O-NH2 3.09Å; M11-F19 HydrophobicContact CE-CE2 4.25Å; M11-F19 HydrophobicContact SD-CD2 4.41Å; M11-F19 HydrophobicContact SD-CE2 4.38Å
12	S	64.7	Low	56.2	Low	62 Å²	62	135.2 Å²	135.2	43%	0.434	69%	0.685	S	S	.	*			trans	-55.6	153.1	176.1	84.5	0	0	0	0	109.7	R10 I14 C15 R16	R10-S12 PolarHBondContact O-N 3.17Å; R10-S12 VanDerWaalsContact O-N 3.17Å; S12-I14 PolarHBondContact O-N 3.07Å; S12-I14 VanDerWaalsContact O-N 3.09Å; S12-I14 PolarHBondContact OG-N 3.22Å; S12-C15 PolarHBondContact O-N 2.97Å; S12-C15 PolarHBondContact OG-N 3.45Å; S12-R16 PolarHBondContact O-N 3.15Å; S12-R16 VanDerWaalsContact O-N 3.15Å
13	R	61.5	Low	57.6	Low	216 Å²	216	130.8 Å²	130.8	82%	0.815	67%	0.67	S	S	*	*	H	α-helix	trans	-53.9	-31.3	176.9	-71.3	-177.3	-178.7	-179.9	0.1	111.7	R16 M17	R13-R16 PolarHBondContact O-N 3.28Å; R13-M17 PolarHBondContact O-N 3.01Å
14	I	62.8	Low	59	Low	120 Å²	120	123.4 Å²	123.4	62%	0.615	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-45.9	176.9	-55.8	172.9	0	0	0	110.9	S12 R16 M17 L18	S12-I14 PolarHBondContact O-N 3.07Å; S12-I14 VanDerWaalsContact O-N 3.09Å; S12-I14 PolarHBondContact OG-N 3.22Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3Å; I14-M17 PolarHBondContact O-N 3.47Å; I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.27Å
15	C	58.3	Low	60.3	Low	43 Å²	43	120.9 Å²	120.9	29%	0.291	63%	0.632	S	S	.	*	H	α-helix	trans	-63.5	-39.4	176.7	-108.4	0	0	0	0	112.3	M11 S12 L18 F19	M11-C15 HydrophobicContact CB-CB 4.26Å; M11-C15 HydrophobicContact CE-CB 3.64Å; M11-C15 WeakPolarHBondContact CE-SG 3.36Å; M11-C15 HydrophobicContact SD-CB 3.98Å; S12-C15 PolarHBondContact O-N 2.97Å; S12-C15 PolarHBondContact OG-N 3.45Å; C15-L18 PolarHBondContact O-N 3.43Å; C15-F19 WeakPolarHBondContact O-CD2 3.4Å; C15-F19 PolarHBondContact O-N 2.88Å
16	R	63.6	Low	61.8	Low	152 Å²	152	118.5 Å²	118.5	57%	0.574	61%	0.613	S	S	*	*	H	α-helix	trans	-66.2	-38.3	175.1	-79	-176.8	-94.9	179.3	-10.9	112.7	M11 S12 R13 I14 A20	M11-R16 HydrophobicContact CB-CG 4.27Å; M11-R16 PolarHBondContact O-NE 3.42Å; M11-R16 PolarHBondContact O-NH2 3.09Å; S12-R16 PolarHBondContact O-N 3.15Å; S12-R16 VanDerWaalsContact O-N 3.15Å; R13-R16 PolarHBondContact O-N 3.28Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3Å; R16-A20 WeakPolarHBondContact O-CB 3.42Å; R16-A20 PolarHBondContact O-N 2.91Å
17	M	61.1	Low	63.5	Low	144 Å²	144	118.8 Å²	118.8	71%	0.709	60%	0.598	S	S	*	*	H	α-helix	trans	-63.7	-46.6	173.2	-110	-179.3	-171.8	0	0	111.7	R13 I14 F19 A20 T21	R13-M17 PolarHBondContact O-N 3.01Å; I14-M17 PolarHBondContact O-N 3.47Å; M17-F19 PolarHBondContact O-N 3.06Å; M17-A20 PolarHBondContact O-N 3.43Å; M17-T21 WeakPolarHBondContact O-CG2 3.38Å; M17-T21 PolarHBondContact O-N 3.2Å; M17-T21 PolarHBondContact O-OG1 3.43Å; M17-T21 VanDerWaalsContact O-OG1 3.06Å
18	L	64.8	Low	65.1	Low	98 Å²	98	116.3 Å²	116.3	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-62	-43.1	179.9	-74.5	168.5	0	0	0	112.1	I14 C15 T21 C22	I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.27Å; C15-L18 PolarHBondContact O-N 3.43Å; L18-T21 WeakPolarHBondContact CA-OG1 3.49Å; L18-T21 PolarHBondContact O-N 2.93Å; L18-T21 PolarHBondContact O-OG1 2.91Å; L18-C22 WeakPolarHBondContact O-CB 3.35Å; L18-C22 PolarHBondContact O-N 3.4Å; L18-C22 PolarHBondContact O-SG 3.05Å
19	F	66.6	Low	66.4	Low	136 Å²	136	111.2 Å²	111.2	60%	0.596	57%	0.566	S	S	*	*	H	α-helix	trans	-63.4	-42.6	174.2	-94.7	-79.9	0	0	0	112.1	M11 C15 M17 C22 L23	M11-F19 HydrophobicContact CE-CE2 4.25Å; M11-F19 HydrophobicContact SD-CD2 4.41Å; M11-F19 HydrophobicContact SD-CE2 4.38Å; C15-F19 WeakPolarHBondContact O-CD2 3.4Å; C15-F19 PolarHBondContact O-N 2.88Å; M17-F19 PolarHBondContact O-N 3.06Å; F19-C22 PolarHBondContact O-N 3.49Å; F19-L23 WeakPolarHBondContact O-CB 3.39Å; F19-L23 PolarHBondContact O-N 2.94Å
20	A	68.2	Low	67.5	Low	67 Å²	67	106.1 Å²	106.1	55%	0.554	54%	0.542	S	S	*	.	H	α-helix	trans	-64.9	-39.8	177.7	0	0	0	0	0	112.4	R16 M17 G24	R16-A20 WeakPolarHBondContact O-CB 3.42Å; R16-A20 PolarHBondContact O-N 2.91Å; M17-A20 PolarHBondContact O-N 3.43Å; A20-G24 PolarHBondContact O-N 2.88Å
21	T	68.6	Low	68.3	Low	82 Å²	82	100.7 Å²	100.7	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-42	175.7	48.7	0	0	0	0	111.9	M17 L18 G24 S25	M17-T21 WeakPolarHBondContact O-CG2 3.38Å; M17-T21 PolarHBondContact O-N 3.2Å; M17-T21 PolarHBondContact O-OG1 3.43Å; M17-T21 VanDerWaalsContact O-OG1 3.06Å; L18-T21 WeakPolarHBondContact CA-OG1 3.49Å; L18-T21 PolarHBondContact O-N 2.93Å; L18-T21 PolarHBondContact O-OG1 2.91Å; T21-G24 PolarHBondContact O-N 3.07Å; T21-S25 WeakPolarHBondContact O-CB 3.34Å; T21-S25 PolarHBondContact O-N 2.91Å; T21-S25 PolarHBondContact O-OG 3.41Å; T21-S25 VanDerWaalsContact O-OG 3.07Å
22	C	70.7	Confident	69.1	Low	85 Å²	85	102.7 Å²	102.7	57%	0.574	53%	0.528	S	S	*	.	H	α-helix	trans	-65	-40.4	176.4	-76.7	0	0	0	0	112.1	L18 F19 S25 F26	L18-C22 WeakPolarHBondContact O-CB 3.35Å; L18-C22 PolarHBondContact O-N 3.4Å; L18-C22 PolarHBondContact O-SG 3.05Å; F19-C22 PolarHBondContact O-N 3.49Å; C22-S25 PolarHBondContact O-N 2.97Å; C22-F26 WeakPolarHBondContact O-CB 3.37Å; C22-F26 PolarHBondContact O-N 3.41Å
23	L	72.4	Confident	69.2	Low	112 Å²	112	104.9 Å²	104.9	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-66.6	-42.2	176.7	-148.3	85.9	0	0	0	111.2	F19 F26 I27	F19-L23 WeakPolarHBondContact O-CB 3.39Å; F19-L23 PolarHBondContact O-N 2.94Å; L23-F26 PolarHBondContact O-N 2.94Å; L23-I27 HydrophobicContact CD2-CD1 4.41Å; L23-I27 HydrophobicContact CG-CD1 4.41Å; L23-I27 WeakPolarHBondContact O-CB 3.25Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.49Å; L23-I27 PolarHBondContact O-N 3.29Å
24	G	74.5	Confident	69.2	Low	31 Å²	31	99.9 Å²	99.9	32%	0.32	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175.8	0	0	0	0	0	112.9	A20 T21 I27 L28	A20-G24 PolarHBondContact O-N 2.88Å; T21-G24 PolarHBondContact O-N 3.07Å; G24-I27 PolarHBondContact O-N 3.32Å; G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 2.9Å
25	S	74	Confident	68.9	Low	72 Å²	72	97.5 Å²	97.5	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-39	174.3	-62.6	0	0	0	0	112.2	T21 C22 L28 V29	T21-S25 WeakPolarHBondContact O-CB 3.34Å; T21-S25 PolarHBondContact O-N 2.91Å; T21-S25 PolarHBondContact O-OG 3.41Å; T21-S25 VanDerWaalsContact O-OG 3.07Å; C22-S25 PolarHBondContact O-N 2.97Å; S25-L28 PolarHBondContact O-N 3.22Å; S25-V29 VanDerWaalsContact O-CG2 3.27Å; S25-V29 WeakPolarHBondContact O-CG2 3.27Å; S25-V29 PolarHBondContact O-N 3.38Å
26	F	75.3	Confident	68.8	Low	137 Å²	137	101.2 Å²	101.2	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-66.3	-40.9	177.2	-163.5	-104.5	0	0	0	112	C22 L23 V29 I30	C22-F26 WeakPolarHBondContact O-CB 3.37Å; C22-F26 PolarHBondContact O-N 3.41Å; L23-F26 PolarHBondContact O-N 2.94Å; F26-V29 PolarHBondContact O-N 2.98Å; F26-I30 HydrophobicContact CD1-CD1 3.64Å; F26-I30 HydrophobicContact CD1-CG1 4.41Å; F26-I30 HydrophobicContact CE1-CD1 3.61Å; F26-I30 HydrophobicContact CE1-CG1 4.36Å; F26-I30 WeakPolarHBondContact O-CG1 3.41Å; F26-I30 PolarHBondContact O-N 3.41Å
27	I	75.9	Confident	68	Low	75 Å²	75	101.6 Å²	101.6	39%	0.385	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175.7	-69.7	167.1	0	0	0	111.1	L23 G24 V29 I30 F31	L23-I27 HydrophobicContact CD2-CD1 4.41Å; L23-I27 HydrophobicContact CG-CD1 4.41Å; L23-I27 WeakPolarHBondContact O-CB 3.25Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.49Å; L23-I27 PolarHBondContact O-N 3.29Å; G24-I27 PolarHBondContact O-N 3.32Å; I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 2.95Å; I27-I30 PolarHBondContact O-N 3Å; I27-F31 HydrophobicContact CG2-CD2 3.54Å; I27-F31 HydrophobicContact CG2-CE2 3.38Å; I27-F31 WeakPolarHBondContact O-CD2 3.22Å; I27-F31 PolarHBondContact O-N 3.45Å
28	L	74.1	Confident	66.9	Low	126 Å²	126	101.7 Å²	101.7	66%	0.66	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-37.7	175.5	-77.3	169.3	0	0	0	112.4	G24 S25 F31 Y32	G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 2.9Å; S25-L28 PolarHBondContact O-N 3.22Å; L28-F31 PolarHBondContact O-N 2.81Å; L28-Y32 WeakPolarHBondContact O-CB 3.21Å; L28-Y32 PolarHBondContact O-N 3.44Å
29	V	73.7	Confident	65.8	Low	71 Å²	71	101.9 Å²	101.9	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-40.2	174.5	170.8	0	0	0	0	110.9	S25 F26 I27 Y32 F33	S25-V29 VanDerWaalsContact O-CG2 3.27Å; S25-V29 WeakPolarHBondContact O-CG2 3.27Å; S25-V29 PolarHBondContact O-N 3.38Å; F26-V29 PolarHBondContact O-N 2.98Å; I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 2.95Å; V29-Y32 PolarHBondContact O-N 2.77Å; V29-F33 HydrophobicContact CG1-CD2 3.53Å; V29-F33 HydrophobicContact CG1-CE2 3.53Å; V29-F33 WeakPolarHBondContact O-CB 3.2Å; V29-F33 WeakPolarHBondContact O-CD2 3.31Å; V29-F33 PolarHBondContact O-N 2.84Å
30	I	75.1	Confident	64.4	Low	70 Å²	70	101.8 Å²	101.8	36%	0.359	55%	0.546	S	S	.	.	H	α-helix	trans	-61.6	-47.7	173.7	-69.7	166.2	0	0	0	110.8	F26 I27 Y32 F33 Q34	F26-I30 HydrophobicContact CD1-CD1 3.64Å; F26-I30 HydrophobicContact CD1-CG1 4.41Å; F26-I30 HydrophobicContact CE1-CD1 3.61Å; F26-I30 HydrophobicContact CE1-CG1 4.36Å; F26-I30 WeakPolarHBondContact O-CG1 3.41Å; F26-I30 PolarHBondContact O-N 3.41Å; I27-I30 PolarHBondContact O-N 3Å; I30-Y32 VanDerWaalsContact C-N 3.35Å; I30-Y32 PolarHBondContact O-N 3.28Å; I30-F33 PolarHBondContact O-N 3.25Å; I30-Q34 HydrophobicContact CG2-CG 4.26Å; I30-Q34 WeakPolarHBondContact O-CB 3.28Å; I30-Q34 VanDerWaalsContact O-CG 3.28Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.36Å
31	F	71.9	Confident	62.8	Low	122 Å²	122	106.5 Å²	106.5	54%	0.535	56%	0.559	S	S	.	*	H	α-helix	trans	-66.5	-36.4	177.7	-78	-63.6	0	0	0	112.5	I27 L28 Q34 S35	I27-F31 HydrophobicContact CG2-CD2 3.54Å; I27-F31 HydrophobicContact CG2-CE2 3.38Å; I27-F31 WeakPolarHBondContact O-CD2 3.22Å; I27-F31 PolarHBondContact O-N 3.45Å; L28-F31 PolarHBondContact O-N 2.81Å; F31-Q34 PolarHBondContact O-N 2.87Å; F31-S35 VanDerWaalsContact O-CB 3.31Å; F31-S35 WeakPolarHBondContact O-CB 3.49Å; F31-S35 PolarHBondContact O-N 3.5Å; F31-S35 PolarHBondContact O-OG 3.37Å
32	Y	74.3	Confident	61.4	Low	135 Å²	135	110.2 Å²	110.2	53%	0.529	57%	0.571	S	S	.	*	H	α-helix	trans	-61.4	-48.8	173.4	179	-101.5	0	0	0	110.9	L28 V29 I30 S35 M36	L28-Y32 WeakPolarHBondContact O-CB 3.21Å; L28-Y32 PolarHBondContact O-N 3.44Å; V29-Y32 PolarHBondContact O-N 2.77Å; I30-Y32 VanDerWaalsContact C-N 3.35Å; I30-Y32 PolarHBondContact O-N 3.28Å; Y32-S35 PolarHBondContact O-N 2.84Å; Y32-S35 PolarHBondContact O-OG 3.26Å; Y32-M36 HydrophobicContact CD1-CG 4.42Å; Y32-M36 HydrophobicContact CE1-CG 4.07Å; Y32-M36 HydrophobicContact CE2-CG 4.34Å; Y32-M36 WeakPolarHBondContact O-CB 3.31Å; Y32-M36 WeakPolarHBondContact O-CG 3.05Å; Y32-M36 PolarHBondContact O-N 3.41Å
33	F	65.1	Low	59.9	Low	108 Å²	108	117.3 Å²	117.3	47%	0.474	59%	0.585	S	S	.	*	H	α-helix	trans	-67.1	-39.1	175.8	-80.5	-66.7	0	0	0	112.5	V29 I30 S35 M36 F37	V29-F33 HydrophobicContact CG1-CD2 3.53Å; V29-F33 HydrophobicContact CG1-CE2 3.53Å; V29-F33 WeakPolarHBondContact O-CB 3.2Å; V29-F33 WeakPolarHBondContact O-CD2 3.31Å; V29-F33 PolarHBondContact O-N 2.84Å; I30-F33 PolarHBondContact O-N 3.25Å; F33-S35 VanDerWaalsContact C-N 3.29Å; F33-S35 PolarHBondContact O-N 3.4Å; F33-M36 PolarHBondContact O-N 2.98Å; F33-F37 HydrophobicContact CB-CD2 4.18Å; F33-F37 HydrophobicContact CB-CE2 4.31Å; F33-F37 HydrophobicContact CD1-CD2 4.28Å; F33-F37 AromaticContact CD1-CE2 3.66Å; F33-F37 HydrophobicContact CD1-CE2 3.66Å; F33-F37 HydrophobicContact CE1-CE2 4.48Å; F33-F37 HydrophobicContact CG-CE2 4.4Å; F33-F37 VanDerWaalsContact O-CB 3.32Å; F33-F37 WeakPolarHBondContact O-CB 3.32Å; F33-F37 WeakPolarHBondContact O-CD2 3.41Å; F33-F37 PolarHBondContact O-N 2.85Å
34	Q	63	Low	58.6	Low	112 Å²	112	113.1 Å²	113.1	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-62.4	-35.8	173.8	-77.2	179.6	-21.4	0	0	112.2	I30 F31 F37 Q38	I30-Q34 HydrophobicContact CG2-CG 4.26Å; I30-Q34 WeakPolarHBondContact O-CB 3.28Å; I30-Q34 VanDerWaalsContact O-CG 3.28Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.36Å; F31-Q34 PolarHBondContact O-N 2.87Å; Q34-F37 CarbonylContact O-C 3.58Å; Q34-Q38 PolarHBondContact O-N 2.7Å
35	S	56.4	Low	57.3	Low	70 Å²	70	115.5 Å²	115.5	49%	0.49	57%	0.574	S	S	.	*	H	α-helix	trans	-73.9	-34.2	174.9	74.2	0	0	0	0	113	F31 Y32 F33 F37	F31-S35 VanDerWaalsContact O-CB 3.31Å; F31-S35 WeakPolarHBondContact O-CB 3.49Å; F31-S35 PolarHBondContact O-N 3.5Å; F31-S35 PolarHBondContact O-OG 3.37Å; Y32-S35 PolarHBondContact O-N 2.84Å; Y32-S35 PolarHBondContact O-OG 3.26Å; F33-S35 VanDerWaalsContact C-N 3.29Å; F33-S35 PolarHBondContact O-N 3.4Å; S35-F37 VanDerWaalsContact C-N 3.34Å
36	M	55.4	Low	56.1	Low	121 Å²	121	113.7 Å²	113.7	60%	0.596	56%	0.557	S	S	*	*	H	α-helix	trans	-73.2	-25.9	174	-75.8	-78.8	-79.1	0	0	112.6	Y32 F33	Y32-M36 HydrophobicContact CD1-CG 4.42Å; Y32-M36 HydrophobicContact CE1-CG 4.07Å; Y32-M36 HydrophobicContact CE2-CG 4.34Å; Y32-M36 WeakPolarHBondContact O-CB 3.31Å; Y32-M36 WeakPolarHBondContact O-CG 3.05Å; Y32-M36 PolarHBondContact O-N 3.41Å; F33-M36 PolarHBondContact O-N 2.98Å
37	F	47.8	Very low	54.6	Low	159 Å²	159	111.6 Å²	111.6	70%	0.697	56%	0.555	S	S	*	*	S	Bend	trans	-103.2	5.4	178.3	-70	-63.1	0	0	0	114	F33 Q34 S35 P39	F33-F37 HydrophobicContact CB-CD2 4.18Å; F33-F37 HydrophobicContact CB-CE2 4.31Å; F33-F37 HydrophobicContact CD1-CD2 4.28Å; F33-F37 AromaticContact CD1-CE2 3.66Å; F33-F37 HydrophobicContact CD1-CE2 3.66Å; F33-F37 HydrophobicContact CE1-CE2 4.48Å; F33-F37 HydrophobicContact CG-CE2 4.4Å; F33-F37 VanDerWaalsContact O-CB 3.32Å; F33-F37 WeakPolarHBondContact O-CB 3.32Å; F33-F37 WeakPolarHBondContact O-CD2 3.41Å; F33-F37 PolarHBondContact O-N 2.85Å; Q34-F37 CarbonylContact O-C 3.58Å; S35-F37 VanDerWaalsContact C-N 3.34Å; F37-P39 WeakPolarHBondContact O-CD 3.26Å
38	Q	38	Very low	52.8	Low	147 Å²	147	112.7 Å²	112.7	69%	0.687	57%	0.565	S	S	*	*	S	Bend	trans	-68.9	114.6	161.8	-91.3	-173.5	-39.5	0	0	107.2	Q34 V40	Q34-Q38 PolarHBondContact O-N 2.7Å; Q38-V40 PolarHBondContact O-N 3.45Å; Q38-V40 VanDerWaalsContact O-N 3.13Å
39	P	39.8	Very low	51	Low	102 Å²	102	114.9 Å²	114.9	66%	0.662	58%	0.577	S	S	*	*			trans	-61	124.7	164.4	-1.2	17	0	0	0	104.9	F37 M41	F37-P39 WeakPolarHBondContact O-CD 3.26Å; P39-M41 PolarHBondContact O-N 2.86Å
40	V	38.3	Very low	49.5	Very low	133 Å²	133	112.8 Å²	112.8	81%	0.806	57%	0.57	S	S	*	*			trans	-57.7	95.6	155.3	175.9	0	0	0	0	104.5	Q38 Q42	Q38-V40 PolarHBondContact O-N 3.45Å; Q38-V40 VanDerWaalsContact O-N 3.13Å; V40-Q42 PolarHBondContact O-N 3.1Å
41	M	35.5	Very low	48	Very low	167 Å²	167	113.1 Å²	113.1	82%	0.823	58%	0.578	S	S	*	*			trans	-70.2	75.5	169.4	-77.2	-147.2	81.6	0	0	106.6	P39 R43	P39-M41 PolarHBondContact O-N 2.86Å; M41-R43 PolarHBondContact O-N 3.12Å
42	Q	38.7	Very low	46.8	Very low	159 Å²	159	112.8 Å²	112.8	74%	0.743	59%	0.589	S	S	*	*			trans	-61.3	109.6	157.8	-149.1	168.1	4.7	0	0	104.3	V40 N44	V40-Q42 PolarHBondContact O-N 3.1Å; Q42-N44 PolarHBondContact O-N 3.24Å
43	R	37.8	Very low	45.2	Very low	234 Å²	234	115.7 Å²	115.7	88%	0.883	60%	0.599	S	S	*	*			trans	-49.9	111.1	173.1	-103.8	-179.1	173.2	171.7	-2.6	106.6	M41 P45	M41-R43 PolarHBondContact O-N 3.12Å; R43-P45 VanDerWaalsContact O-CD 3.24Å; R43-P45 WeakPolarHBondContact O-CD 3.29Å
44	N	45.7	Very low	43.8	Very low	24 Å²	24	121.1 Å²	121.1	13%	0.128	62%	0.623	C	S	.	*			trans	-66.4	115.5	178.9	178.4	6.3	0	0	0	107.3	Q42 F46 V47 R141 G142	Q42-N44 PolarHBondContact O-N 3.24Å; N44-F46 PolarHBondContact O-N 3.04Å; N44-F46 VanDerWaalsContact O-N 3.12Å; N44-F46 PolarHBondContact OD1-N 3.01Å; N44-F46 VanDerWaalsContact OD1-N 3.09Å; N44-V47 HydrophobicContact CB-CB 3.95Å; N44-V47 HydrophobicContact CB-CG2 4.02Å; N44-V47 WeakPolarHBondContact ND2-CG2 3.34Å; N44-V47 CarbonylContact O-C 3.56Å; N44-V47 PolarHBondContact O-N 3.17Å; N44-V47 VanDerWaalsContact O-O 3.12Å; N44-R141 PolarHBondContact ND2-O 3.47Å; N44-G142 WeakPolarHBondContact ND2-CA 3.46Å; N44-G142 PolarHBondContact ND2-N 3.28Å; N44-G142 WeakPolarHBondContact OD1-CA 3.42Å
45	P	47.7	Very low	43.1	Very low	82 Å²	82	119.5 Å²	119.5	53%	0.532	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-14.1	-180	25.1	-30.3	0	0	0	112.6	R43	R43-P45 VanDerWaalsContact O-CD 3.24Å; R43-P45 WeakPolarHBondContact O-CD 3.29Å
46	F	47.8	Very low	43.5	Very low	33 Å²	33	120 Å²	120	15%	0.145	64%	0.64	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-13.9	174.2	-55.7	-81.6	0	0	0	113.2	N44 V48 V137 S145 S298 L299	N44-F46 PolarHBondContact O-N 3.04Å; N44-F46 VanDerWaalsContact O-N 3.12Å; N44-F46 PolarHBondContact OD1-N 3.01Å; N44-F46 VanDerWaalsContact OD1-N 3.09Å; F46-V48 PolarHBondContact O-N 3.38Å; F46-V137 HydrophobicContact CD2-CG1 4.47Å; F46-V137 HydrophobicContact CE2-CG1 4.15Å; F46-V137 HydrophobicContact CZ-CG1 4.15Å; F46-S145 WeakPolarHBondContact CZ-O 3.43Å; F46-S298 WeakPolarHBondContact CE1-OG 3.41Å; F46-L299 HydrophobicContact CE1-CB 4.05Å
47	V	43.8	Very low	44.5	Very low	94 Å²	94	119.7 Å²	119.7	57%	0.57	63%	0.632	S	S	*	*			trans	-91.4	73.7	158.6	179	0	0	0	0	105.7	N44	N44-V47 HydrophobicContact CB-CB 3.95Å; N44-V47 HydrophobicContact CB-CG2 4.02Å; N44-V47 WeakPolarHBondContact ND2-CG2 3.34Å; N44-V47 CarbonylContact O-C 3.56Å; N44-V47 PolarHBondContact O-N 3.17Å; N44-V47 VanDerWaalsContact O-O 3.12Å
48	V	38.4	Very low	46.3	Very low	97 Å²	97	113.8 Å²	113.8	59%	0.588	61%	0.608	S	S	*	*			trans	-55.5	139.3	147.5	-177.2	0	0	0	0	105.3	F46 G50 C51	F46-V48 PolarHBondContact O-N 3.38Å; V48-G50 PolarHBondContact O-N 2.76Å; V48-C51 PolarHBondContact O-N 2.9Å
49	D	37.1	Very low	48.8	Very low	172 Å²	172	107 Å²	107	92%	0.92	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	38.3	171.5	-121.3	-16.3	0	0	0	112.4
50	G	42.1	Very low	51.2	Low	27 Å²	27	103.6 Å²	103.6	28%	0.278	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-167.6	-2.6	-160.8	0	0	0	0	0	116.5	V48 C52 R53	V48-G50 PolarHBondContact O-N 2.76Å; G50-C52 PolarHBondContact O-N 3.29Å; G50-R53 PolarHBondContact O-N 3.13Å
51	C	44.1	Very low	53.6	Low	78 Å²	78	101.7 Å²	101.7	53%	0.527	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	121.4	160.9	-90	0	0	0	0	108.4	V48	V48-C51 PolarHBondContact O-N 2.9Å
52	C	46	Very low	56.2	Low	114 Å²	114	95.3 Å²	95.3	77%	0.77	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	41.7	-162.8	-53.5	0	0	0	0	115.6	G50 K54	G50-C52 PolarHBondContact O-N 3.29Å; C52-K54 PolarHBondContact O-N 3.16Å; C52-K54 VanDerWaalsContact O-N 3.16Å
53	R	39.8	Very low	58.6	Low	196 Å²	196	88.7 Å²	88.7	74%	0.74	47%	0.473	S	S	*	.			trans	-56	122.8	145.5	-82.7	-171.3	179	-177.3	1.1	106.6	G50 G55 S56	G50-R53 PolarHBondContact O-N 3.13Å; R53-G55 VanDerWaalsContact C-N 3.35Å; R53-G55 PolarHBondContact O-N 2.74Å; R53-S56 PolarHBondContact O-N 3.29Å
54	K	36.1	Very low	60.9	Low	222 Å²	222	83.1 Å²	83.1	97%	0.965	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	104.6	159.7	-104.1	175.8	171.5	176	0	106.8	C52	C52-K54 PolarHBondContact O-N 3.16Å; C52-K54 VanDerWaalsContact O-N 3.16Å
55	G	47.8	Very low	62.8	Low	79 Å²	79	85.2 Å²	85.2	81%	0.814	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.5	-2.6	-174.3	0	0	0	0	0	117.7	R53	R53-G55 VanDerWaalsContact C-N 3.35Å; R53-G55 PolarHBondContact O-N 2.74Å
56	S	65.3	Low	64.5	Low	81 Å²	81	85.3 Å²	85.3	57%	0.566	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-75.8	134.6	170.6	-165.3	0	0	0	0	110.9	R53	R53-S56 PolarHBondContact O-N 3.29Å
57	R	76.1	Confident	65.9	Low	114 Å²	114	87.7 Å²	87.7	43%	0.43	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-76	136	-176.8	-59.5	172	72.8	88.2	19.4	109.7	Q61 E62 S65	R57-Q61 HydrophobicContact CB-CB 4.25Å; R57-Q61 PolarHBondContact NH2-O 2.88Å; R57-E62 WeakPolarHBondContact CD-OE2 3.36Å; R57-E62 IonicContact NE-OE2 3.76Å; R57-E62 PolarHBondContact NE-OE2 3.23Å; R57-S65 PolarHBondContact NE-O 2.95Å; R57-S65 PolarHBondContact NH2-O 2.7Å
58	N	87.2	Confident	67.4	Low	35 Å²	35	90.7 Å²	90.7	19%	0.187	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-80	166.3	172.5	70	24.5	0	0	0	111.5	L60 Q61 E62 E117	N58-L60 PolarHBondContact O-N 2.71Å; N58-L60 VanDerWaalsContact O-N 3.15Å; N58-L60 WeakPolarHBondContact OD1-CB 3.44Å; N58-L60 PolarHBondContact OD1-N 2.55Å; N58-Q61 WeakPolarHBondContact O-CB 3.38Å; N58-Q61 PolarHBondContact O-N 3.16Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.18Å; N58-Q61 VanDerWaalsContact OD1-CG 3.23Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.34Å; N58-Q61 PolarHBondContact OD1-N 2.94Å; N58-E62 PolarHBondContact O-N 2.99Å; N58-E117 WeakPolarHBondContact CB-OE2 3.43Å; N58-E117 PolarHBondContact ND2-OE2 3.22Å
59	A	89.9	Confident	68.9	Low	5 Å²	5	94.2 Å²	94.2	4%	0.041	51%	0.513	C	S	.	.	H	α-helix	trans	-58	-32	-176.5	0	0	0	0	0	113.6	L63 L118 F180 L292 V293	A59-L63 WeakPolarHBondContact O-CB 3.2Å; A59-L63 PolarHBondContact O-N 3.46Å; A59-L118 HydrophobicContact CB-CD2 4.03Å; A59-F180 HydrophobicContact CB-CB 3.87Å; A59-F180 HydrophobicContact CB-CD1 4.38Å; A59-F180 HydrophobicContact CB-CD2 4.18Å; A59-F180 HydrophobicContact CB-CG 3.91Å; A59-L292 WeakPolarHBondContact CA-O 3.48Å; A59-L292 HydrophobicContact CB-CB 4.27Å; A59-V293 HydrophobicContact CB-CG2 4.2Å
60	L	90.1	Very high	70.5	Confident	29 Å²	29	88.6 Å²	88.6	15%	0.152	48%	0.483	C	S	.	.	H	α-helix	trans	-69	-45.2	176.7	-166.3	66.7	0	0	0	111.3	N58 E62 L63 Y64 N178 F180 D274	N58-L60 PolarHBondContact O-N 2.71Å; N58-L60 VanDerWaalsContact O-N 3.15Å; N58-L60 WeakPolarHBondContact OD1-CB 3.44Å; N58-L60 PolarHBondContact OD1-N 2.55Å; L60-E62 VanDerWaalsContact C-N 3.32Å; L60-E62 PolarHBondContact O-N 3.39Å; L60-L63 PolarHBondContact O-N 3.4Å; L60-Y64 HydrophobicContact CD1-CD2 4.1Å; L60-Y64 HydrophobicContact CD1-CE2 3.62Å; L60-Y64 HydrophobicContact CG-CD2 4.18Å; L60-Y64 HydrophobicContact CG-CE2 4.13Å; L60-Y64 VanDerWaalsContact O-CD2 3.27Å; L60-Y64 WeakPolarHBondContact O-CD2 3.32Å; L60-Y64 PolarHBondContact O-N 2.93Å; L60-N178 WeakPolarHBondContact CD2-O 3.25Å; L60-F180 HydrophobicContact CB-CB 4.32Å; L60-F180 HydrophobicContact CD1-CD2 4.34Å; L60-D274 HydrophobicContact CD1-CB 4.05Å; L60-D274 WeakPolarHBondContact CD1-OD1 3.29Å; L60-D274 WeakPolarHBondContact CD1-OD2 3.4Å
61	Q	89.4	Confident	71.6	Confident	94 Å²	94	93.6 Å²	93.6	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-36	175.3	-72.6	169.6	-4.4	0	0	112	R57 N58 S65	R57-Q61 HydrophobicContact CB-CB 4.25Å; R57-Q61 PolarHBondContact NH2-O 2.88Å; N58-Q61 WeakPolarHBondContact O-CB 3.38Å; N58-Q61 PolarHBondContact O-N 3.16Å; N58-Q61 WeakPolarHBondContact OD1-CB 3.18Å; N58-Q61 VanDerWaalsContact OD1-CG 3.23Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.34Å; N58-Q61 PolarHBondContact OD1-N 2.94Å; Q61-S65 CarbonylContact O-C 3.54Å; Q61-S65 WeakPolarHBondContact O-CA 3.48Å; Q61-S65 WeakPolarHBondContact O-CB 3.47Å; Q61-S65 PolarHBondContact O-N 2.82Å
62	E	89	Confident	73	Confident	32 Å²	32	93.4 Å²	93.4	15%	0.15	51%	0.51	C	S	.	.	H	α-helix	trans	-69.2	-38.9	176.4	-165.5	59.9	-158.8	0	0	111.6	R57 N58 L60 S65 P66 S67 L292	R57-E62 WeakPolarHBondContact CD-OE2 3.36Å; R57-E62 IonicContact NE-OE2 3.76Å; R57-E62 PolarHBondContact NE-OE2 3.23Å; N58-E62 PolarHBondContact O-N 2.99Å; L60-E62 VanDerWaalsContact C-N 3.32Å; L60-E62 PolarHBondContact O-N 3.39Å; E62-S65 CarbonylContact O-C 3.55Å; E62-P66 VanDerWaalsContact O-CA 3.23Å; E62-P66 WeakPolarHBondContact O-CA 3.34Å; E62-S67 WeakPolarHBondContact OE1-CB 3.38Å; E62-S67 PolarHBondContact OE1-N 3.13Å; E62-S67 PolarHBondContact OE1-OG 3.11Å; E62-L292 HydrophobicContact CB-CD2 4.15Å; E62-L292 HydrophobicContact CG-CD2 3.92Å
63	L	88.4	Confident	74.9	Confident	20 Å²	20	89.6 Å²	89.6	11%	0.105	49%	0.491	C	S	.	.	H	α-helix	trans	-62.2	-46.7	176.2	179.7	71.5	0	0	0	112.5	A59 L60 F180 D274 Y288 L292	A59-L63 WeakPolarHBondContact O-CB 3.2Å; A59-L63 PolarHBondContact O-N 3.46Å; L60-L63 PolarHBondContact O-N 3.4Å; L63-F180 HydrophobicContact CB-CE2 4.42Å; L63-F180 HydrophobicContact CD2-CE2 4Å; L63-D274 HydrophobicContact CD2-CB 3.94Å; L63-D274 WeakPolarHBondContact CD2-O 3.17Å; L63-Y288 HydrophobicContact CD1-CE1 4.46Å; L63-L292 HydrophobicContact CB-CD1 4.47Å; L63-L292 HydrophobicContact CB-CD2 4.5Å; L63-L292 HydrophobicContact CD1-CD1 4.11Å
64	Y	86.9	Confident	77.3	Confident	118 Å²	118	80.9 Å²	80.9	46%	0.463	46%	0.46	S	S	.	.	H	α-helix	trans	-87.8	-15.2	-174.6	-72.6	-68.8	0	0	0	114.2	L60	L60-Y64 HydrophobicContact CD1-CD2 4.1Å; L60-Y64 HydrophobicContact CD1-CE2 3.62Å; L60-Y64 HydrophobicContact CG-CD2 4.18Å; L60-Y64 HydrophobicContact CG-CE2 4.13Å; L60-Y64 VanDerWaalsContact O-CD2 3.27Å; L60-Y64 WeakPolarHBondContact O-CD2 3.32Å; L60-Y64 PolarHBondContact O-N 2.93Å
65	S	86.1	Confident	79.7	Confident	67 Å²	67	72 Å²	72	47%	0.469	43%	0.429	S	S	.	.	S	Bend	trans	-149.4	76.3	-177.8	-73.5	0	0	0	0	108.1	R57 Q61 E62	R57-S65 PolarHBondContact NE-O 2.95Å; R57-S65 PolarHBondContact NH2-O 2.7Å; Q61-S65 CarbonylContact O-C 3.54Å; Q61-S65 WeakPolarHBondContact O-CA 3.48Å; Q61-S65 WeakPolarHBondContact O-CB 3.47Å; Q61-S65 PolarHBondContact O-N 2.82Å; E62-S65 CarbonylContact O-C 3.55Å
66	P	82.6	Confident	81.8	Confident	84 Å²	84	73.6 Å²	73.6	55%	0.545	42%	0.422	S	S	.	.			trans	-69.1	139.7	-170.7	28.1	-35.3	0	0	0	111.6	E62 Q68	E62-P66 VanDerWaalsContact O-CA 3.23Å; E62-P66 WeakPolarHBondContact O-CA 3.34Å; P66-Q68 VanDerWaalsContact C-N 3.33Å; P66-Q68 WeakPolarHBondContact CB-O 3.42Å
67	S	78	Confident	83.3	Confident	84 Å²	84	73.4 Å²	73.4	59%	0.587	41%	0.414	S	S	*	.	S	Bend	trans	-76.6	-23.1	175.8	64.4	0	0	0	0	112.7	E62	E62-S67 WeakPolarHBondContact OE1-CB 3.38Å; E62-S67 PolarHBondContact OE1-N 3.13Å; E62-S67 PolarHBondContact OE1-OG 3.11Å
68	Q	74.5	Confident	84.2	Confident	157 Å²	157	68 Å²	68	73%	0.734	39%	0.394	S	S	*	.	S	Bend	trans	-131.3	147.9	178.1	-62.1	-171.8	-1.6	0	0	110.4	P66 D70	P66-Q68 VanDerWaalsContact C-N 3.33Å; P66-Q68 WeakPolarHBondContact CB-O 3.42Å; Q68-D70 PolarHBondContact O-N 2.91Å
69	L	70.6	Confident	84.5	Confident	170 Å²	170	69.8 Å²	69.8	89%	0.89	40%	0.401	S	S	*	.			trans	-62.5	135.6	170.7	-75.1	160.4	0	0	0	109.2	P71	L69-P71 WeakPolarHBondContact O-CD 3.17Å
70	D	71.4	Confident	84.9	Confident	54 Å²	54	72.3 Å²	72.3	29%	0.289	42%	0.422	S	S	.	.			trans	-92.1	97	174.1	176.8	17	0	0	0	110	Q68 S72 A74 A75	Q68-D70 PolarHBondContact O-N 2.91Å; D70-S72 PolarHBondContact O-N 2.78Å; D70-S72 WeakPolarHBondContact OD1-CB 3.48Å; D70-S72 PolarHBondContact OD1-N 3.08Å; D70-S72 PolarHBondContact OD1-OG 2.99Å; D70-A74 PolarHBondContact OD2-N 3.28Å; D70-A74 VanDerWaalsContact OD2-N 3.17Å; D70-A75 PolarHBondContact OD2-N 2.89Å
71	P	63.9	Low	85.3	Confident	132 Å²	132	72.4 Å²	72.4	86%	0.857	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.6	179.9	31.1	-37.1	0	0	0	112.9	L69	L69-P71 WeakPolarHBondContact O-CD 3.17Å
72	S	74.8	Confident	85.6	Confident	74 Å²	74	68.5 Å²	68.5	52%	0.517	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.6	-174	73.6	0	0	0	0	114	D70 A74	D70-S72 PolarHBondContact O-N 2.78Å; D70-S72 WeakPolarHBondContact OD1-CB 3.48Å; D70-S72 PolarHBondContact OD1-N 3.08Å; D70-S72 PolarHBondContact OD1-OG 2.99Å; S72-A74 PolarHBondContact O-N 3.05Å; S72-A74 VanDerWaalsContact OG-CB 3.28Å; S72-A74 WeakPolarHBondContact OG-CB 2.93Å; S72-A74 PolarHBondContact OG-N 3.43Å
73	G	85.8	Confident	86	Confident	35 Å²	35	70.9 Å²	70.9	36%	0.361	42%	0.415	S	S	.	.	S	Bend	trans	69	7.9	-173.5	0	0	0	0	0	114.1	A75 V76 L77	G73-A75 VanDerWaalsContact C-N 3.32Å; G73-A75 PolarHBondContact O-N 2.65Å; G73-V76 PolarHBondContact O-N 3.38Å; G73-L77 PolarHBondContact O-N 3.44Å
74	A	88.6	Confident	86.4	Confident	13 Å²	13	73.5 Å²	73.5	11%	0.107	43%	0.425	C	S	.	.	H	α-helix	trans	-61.5	-39.8	-179.5	0	0	0	0	0	111.6	D70 S72 V76 L77 H78 Y288	D70-A74 PolarHBondContact OD2-N 3.28Å; D70-A74 VanDerWaalsContact OD2-N 3.17Å; S72-A74 PolarHBondContact O-N 3.05Å; S72-A74 VanDerWaalsContact OG-CB 3.28Å; S72-A74 WeakPolarHBondContact OG-CB 2.93Å; S72-A74 PolarHBondContact OG-N 3.43Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 3.23Å; A74-L77 PolarHBondContact O-N 3.31Å; A74-H78 PolarHBondContact O-CD2 2.59Å; A74-H78 PolarHBondContact O-N 2.97Å; A74-Y288 HydrophobicContact CB-CD1 4.44Å; A74-Y288 HydrophobicContact CB-CD2 3.54Å; A74-Y288 HydrophobicContact CB-CE2 3.7Å; A74-Y288 HydrophobicContact CB-CG 3.95Å
75	A	88.2	Confident	86.9	Confident	36 Å²	36	68.4 Å²	68.4	30%	0.298	41%	0.407	S	S	.	.	H	α-helix	trans	-56.1	-46.4	174.8	0	0	0	0	0	112.4	D70 G73 H78 Q79 Y288	D70-A75 PolarHBondContact OD2-N 2.89Å; G73-A75 VanDerWaalsContact C-N 3.32Å; G73-A75 PolarHBondContact O-N 2.65Å; A75-H78 PolarHBondContact O-N 3.47Å; A75-Q79 WeakPolarHBondContact O-CB 3.29Å; A75-Q79 PolarHBondContact O-N 2.79Å; A75-Y288 WeakPolarHBondContact CA-OH 3.3Å; A75-Y288 WeakPolarHBondContact CB-OH 3.26Å
76	V	91.8	Very high	87.4	Confident	111 Å²	111	68.8 Å²	68.8	67%	0.673	41%	0.406	S	S	*	.	H	α-helix	trans	-66.2	-44	178.6	178.4	0	0	0	0	110.8	G73 A74 H78 Q79 A80	G73-V76 PolarHBondContact O-N 3.38Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 3.23Å; V76-H78 PolarHBondContact O-N 3.43Å; V76-Q79 PolarHBondContact O-N 2.93Å; V76-A80 PolarHBondContact O-N 2.88Å
77	L	95.3	Very high	88	Confident	77 Å²	77	68.6 Å²	68.6	40%	0.403	40%	0.398	S	S	.	.	H	α-helix	trans	-59.1	-47.6	176.8	175.4	62.8	0	0	0	111.9	G73 A74 A80 R81	G73-L77 PolarHBondContact O-N 3.44Å; A74-L77 PolarHBondContact O-N 3.31Å; L77-A80 PolarHBondContact O-N 3.35Å; L77-R81 WeakPolarHBondContact O-CG 3.48Å; L77-R81 PolarHBondContact O-N 2.92Å
78	H	95.1	Very high	88.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-71.1	-34.2	-179.7	-68.5	-53.4	0	0	0	112.5	A74 A75 V76 R81 R82 M275 V276 D285 Y288	A74-H78 PolarHBondContact O-CD2 2.59Å; A74-H78 PolarHBondContact O-N 2.97Å; A75-H78 PolarHBondContact O-N 3.47Å; V76-H78 PolarHBondContact O-N 3.43Å; H78-R81 PolarHBondContact O-N 3.48Å; H78-R82 WeakPolarHBondContact O-CG 3.49Å; H78-R82 PolarHBondContact O-N 3.49Å; H78-M275 HydrophobicContact CB-CG 4.35Å; H78-M275 WeakPolarHBondContact CE1-CE 3.36Å; H78-M275 WeakPolarHBondContact NE2-CE 3.3Å; H78-V276 PolarHBondContact ND1-O 3.21Å; H78-D285 IonicContact CE1-OD1 3.84Å; H78-D285 PolarHBondContact CE1-OD1 3.12Å; H78-D285 VanDerWaalsContact CE1-OD1 3.22Å; H78-D285 IonicContact CE1-OD2 3.72Å; H78-D285 IonicContact NE2-OD1 2.69Å; H78-Y288 AromaticContact CD2-CD1 3.51Å; H78-Y288 AromaticContact CD2-CE1 3.6Å; H78-Y288 AromaticContact NE2-CD1 3.82Å
79	Q	94.8	Very high	89.7	Confident	73 Å²	73	58.4 Å²	58.4	34%	0.341	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-50.6	169.7	-178.8	62.8	58	0	0	110.9	A75 V76 R81 R82 D83	A75-Q79 WeakPolarHBondContact O-CB 3.29Å; A75-Q79 PolarHBondContact O-N 2.79Å; V76-Q79 PolarHBondContact O-N 2.93Å; Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 3.44Å; Q79-R82 WeakPolarHBondContact O-CB 3.32Å; Q79-R82 PolarHBondContact O-N 3.2Å; Q79-R82 VanDerWaalsContact O-N 3.1Å; Q79-D83 PolarHBondContact NE2-OD1 2.83Å; Q79-D83 PolarHBondContact NE2-OD2 3.16Å; Q79-D83 VanDerWaalsContact O-CG 3.3Å; Q79-D83 PolarHBondContact O-N 2.73Å
80	A	97.5	Very high	90.7	Very high	57 Å²	57	57.3 Å²	57.3	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-38.7	178.1	0	0	0	0	0	112.8	V76 L77 K84	V76-A80 PolarHBondContact O-N 2.88Å; L77-A80 PolarHBondContact O-N 3.35Å; A80-K84 PolarHBondContact O-N 2.88Å; A80-K84 VanDerWaalsContact O-N 3.08Å
81	R	97.9	Very high	91.6	Very high	32 Å²	32	57.7 Å²	57.7	12%	0.121	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-42.2	175.2	-69.2	174.4	-176.6	-176.8	1.9	111.9	L77 H78 Q79 K84 V85 V276 T281 D285	L77-R81 WeakPolarHBondContact O-CG 3.48Å; L77-R81 PolarHBondContact O-N 2.92Å; H78-R81 PolarHBondContact O-N 3.48Å; Q79-R81 VanDerWaalsContact C-N 3.29Å; Q79-R81 PolarHBondContact O-N 3.44Å; R81-K84 PolarHBondContact O-N 3.4Å; R81-V85 WeakPolarHBondContact O-CG2 3.38Å; R81-V85 PolarHBondContact O-N 2.75Å; R81-V276 HydrophobicContact CB-CB 4.18Å; R81-V276 WeakPolarHBondContact CD-O 3.36Å; R81-V276 PolarHBondContact NH1-O 3.47Å; R81-T281 PolarHBondContact NH2-OG1 3.48Å; R81-D285 IonicContact CZ-OD2 3.79Å; R81-D285 IonicContact NH1-OD1 2.75Å; R81-D285 PolarHBondContact NH1-OD1 2.97Å; R81-D285 IonicContact NH1-OD2 3.02Å; R81-D285 PolarHBondContact NH1-OD2 3.28Å; R81-D285 IonicContact NH2-OD1 3.84Å; R81-D285 IonicContact NH2-OD2 3.73Å
82	R	96.5	Very high	92.6	Very high	12 Å²	12	53.5 Å²	53.5	5%	0.045	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-47.1	174.8	-74.5	-166.2	-64.3	-84.2	4.4	111.8	H78 Q79 K84 V85 V86 Y273 D274	H78-R82 WeakPolarHBondContact O-CG 3.49Å; H78-R82 PolarHBondContact O-N 3.49Å; Q79-R82 WeakPolarHBondContact O-CB 3.32Å; Q79-R82 PolarHBondContact O-N 3.2Å; Q79-R82 VanDerWaalsContact O-N 3.1Å; R82-K84 VanDerWaalsContact C-N 3.25Å; R82-K84 PolarHBondContact O-N 2.93Å; R82-V85 WeakPolarHBondContact O-CB 3.48Å; R82-V85 PolarHBondContact O-N 3.1Å; R82-V86 WeakPolarHBondContact O-CG2 3.45Å; R82-V86 PolarHBondContact O-N 3.42Å; R82-Y273 WeakPolarHBondContact CD-O 3.29Å; R82-Y273 WeakPolarHBondContact CG-O 3.25Å; R82-D274 VanDerWaalsContact CD-O 3.26Å; R82-D274 WeakPolarHBondContact CD-O 3.49Å; R82-D274 PolarHBondContact NH1-O 3.06Å
83	D	96.9	Very high	92.9	Very high	81 Å²	81	52.9 Å²	52.9	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-38.5	-178.7	-67.1	-27	0	0	0	111.1	Q79 V85 V86 E87	Q79-D83 PolarHBondContact NE2-OD1 2.83Å; Q79-D83 PolarHBondContact NE2-OD2 3.16Å; Q79-D83 VanDerWaalsContact O-CG 3.3Å; Q79-D83 PolarHBondContact O-N 2.73Å; D83-V85 VanDerWaalsContact C-N 3.34Å; D83-V85 PolarHBondContact O-N 2.81Å; D83-V86 PolarHBondContact O-N 2.93Å; D83-E87 WeakPolarHBondContact O-CB 3.16Å; D83-E87 PolarHBondContact O-N 3.45Å
84	K	97.9	Very high	92.2	Very high	75 Å²	75	55 Å²	55	33%	0.326	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-40.5	173.8	-177.2	64.9	179.5	-175.7	0	113	A80 R81 R82 S88 L339 N342	A80-K84 PolarHBondContact O-N 2.88Å; A80-K84 VanDerWaalsContact O-N 3.08Å; R81-K84 PolarHBondContact O-N 3.4Å; R82-K84 VanDerWaalsContact C-N 3.25Å; R82-K84 PolarHBondContact O-N 2.93Å; K84-S88 WeakPolarHBondContact O-CB 3.34Å; K84-S88 PolarHBondContact O-N 3.36Å; K84-S88 PolarHBondContact O-OG 3.33Å; K84-L339 WeakPolarHBondContact CE-O 3.39Å; K84-N342 HydrophobicContact CG-CB 4.11Å
85	V	97.6	Very high	91.1	Very high	12 Å²	12	62.5 Å²	62.5	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-49	176.1	172.8	0	0	0	0	110.3	R81 R82 D83 E87 S88 C89 P268 V276 M340 F341	R81-V85 WeakPolarHBondContact O-CG2 3.38Å; R81-V85 PolarHBondContact O-N 2.75Å; R82-V85 WeakPolarHBondContact O-CB 3.48Å; R82-V85 PolarHBondContact O-N 3.1Å; D83-V85 VanDerWaalsContact C-N 3.34Å; D83-V85 PolarHBondContact O-N 2.81Å; V85-E87 VanDerWaalsContact C-N 3.34Å; V85-E87 PolarHBondContact O-N 2.84Å; V85-S88 PolarHBondContact O-N 2.63Å; V85-C89 WeakPolarHBondContact O-CB 3.28Å; V85-C89 PolarHBondContact O-N 3.09Å; V85-C89 PolarHBondContact O-SG 3.35Å; V85-C89 VanDerWaalsContact O-SG 3.35Å; V85-P268 HydrophobicContact CG1-CB 3.83Å; V85-V276 HydrophobicContact CG2-CG2 4.13Å; V85-M340 HydrophobicContact CB-CG 4.13Å; V85-M340 HydrophobicContact CG1-CG 3.94Å; V85-M340 HydrophobicContact CG1-SD 4.04Å; V85-M340 HydrophobicContact CG2-CG 3.84Å; V85-F341 HydrophobicContact CG2-CD1 4.04Å; V85-F341 HydrophobicContact CG2-CE1 3.86Å
86	V	95.6	Very high	90.1	Very high	75 Å²	75	63.8 Å²	63.8	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-46.9	178.8	172.1	0	0	0	0	110.8	R82 D83 S88 C89 R90	R82-V86 WeakPolarHBondContact O-CG2 3.45Å; R82-V86 PolarHBondContact O-N 3.42Å; D83-V86 PolarHBondContact O-N 2.93Å; V86-S88 PolarHBondContact O-N 3.26Å; V86-C89 WeakPolarHBondContact O-CB 3.28Å; V86-C89 PolarHBondContact O-N 3.08Å; V86-R90 PolarHBondContact O-N 3.19Å
87	E	95.8	Very high	88.4	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-44.4	179.3	177.7	56.2	-167	0	0	111.7	D83 V85 C89 R90 V91	D83-E87 WeakPolarHBondContact O-CB 3.16Å; D83-E87 PolarHBondContact O-N 3.45Å; V85-E87 VanDerWaalsContact C-N 3.34Å; V85-E87 PolarHBondContact O-N 2.84Å; E87-C89 VanDerWaalsContact C-N 3.27Å; E87-C89 PolarHBondContact O-N 3.38Å; E87-R90 WeakPolarHBondContact O-CB 3.19Å; E87-R90 PolarHBondContact O-N 3.01Å; E87-R90 VanDerWaalsContact O-N 3.16Å; E87-R90 IonicContact OE1-CZ 2.72Å; E87-R90 IonicContact OE1-NE 3.69Å; E87-R90 IonicContact OE1-NH2 3.88Å; E87-R90 PolarHBondContact OE1-NH2 3.27Å; E87-R90 IonicContact OE2-CZ 3.18Å; E87-R90 IonicContact OE2-NE 3.47Å; E87-R90 PolarHBondContact OE2-NE 3.18Å; E87-R90 IonicContact OE2-NH2 2.78Å; E87-R90 PolarHBondContact OE2-NH2 3.38Å; E87-V91 WeakPolarHBondContact O-CG2 3.46Å; E87-V91 PolarHBondContact O-N 3.29Å; E87-V91 WeakPolarHBondContact OE1-CG2 3.23Å
88	S	95.2	Very high	86.6	Confident	13 Å²	13	75.7 Å²	75.7	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-37.1	177.6	-57.4	0	0	0	0	111.8	K84 V85 V86 N92 L339 M340	K84-S88 WeakPolarHBondContact O-CB 3.34Å; K84-S88 PolarHBondContact O-N 3.36Å; K84-S88 PolarHBondContact O-OG 3.33Å; V85-S88 PolarHBondContact O-N 2.63Å; V86-S88 PolarHBondContact O-N 3.26Å; S88-N92 VanDerWaalsContact O-CB 3.25Å; S88-N92 WeakPolarHBondContact O-CB 3.4Å; S88-N92 PolarHBondContact O-N 2.85Å; S88-L339 PolarHBondContact OG-O 2.93Å; S88-M340 WeakPolarHBondContact OG-CA 3.42Å
89	C	93.5	Very high	85.1	Confident	14 Å²	14	86.6 Å²	86.6	10%	0.095	42%	0.423	C	S	.	.	H	α-helix	trans	-66.6	-42.9	173.7	-75.1	0	0	0	0	112.5	V85 V86 E87 N92 S93 C269 M340	V85-C89 WeakPolarHBondContact O-CB 3.28Å; V85-C89 PolarHBondContact O-N 3.09Å; V85-C89 PolarHBondContact O-SG 3.35Å; V85-C89 VanDerWaalsContact O-SG 3.35Å; V86-C89 WeakPolarHBondContact O-CB 3.28Å; V86-C89 PolarHBondContact O-N 3.08Å; E87-C89 VanDerWaalsContact C-N 3.27Å; E87-C89 PolarHBondContact O-N 3.38Å; C89-N92 PolarHBondContact O-N 3.12Å; C89-S93 VanDerWaalsContact O-CB 3.23Å; C89-S93 WeakPolarHBondContact O-CB 3.15Å; C89-S93 PolarHBondContact O-N 3.17Å; C89-S93 PolarHBondContact O-OG 2.95Å; C89-C269 WeakPolarHBondContact CA-SG 3.35Å; C89-C269 HydrophobicContact CB-CB 3.7Å; C89-C269 WeakPolarHBondContact CB-SG 3.47Å; C89-C269 WeakPolarHBondContact SG-CA 3.48Å; C89-C269 WeakPolarHBondContact SG-CB 3.22Å; C89-C269 PolarHBondContact SG-N 3.22Å; C89-C269 CovalentContact SG-SG 2.04Å; C89-C269 PolarHBondContact SG-SG 3.37Å; C89-M340 VanDerWaalsContact SG-CE 3.51Å
90	R	91.8	Very high	84.4	Confident	148 Å²	148	89.3 Å²	89.3	56%	0.558	43%	0.431	S	S	*	.	H	α-helix	trans	-59.2	-52	176.4	-170.8	-172.2	70.4	81.5	4.1	110.5	V86 E87 N92 S93 A94	V86-R90 PolarHBondContact O-N 3.19Å; E87-R90 WeakPolarHBondContact O-CB 3.19Å; E87-R90 PolarHBondContact O-N 3.01Å; E87-R90 VanDerWaalsContact O-N 3.16Å; E87-R90 IonicContact OE1-CZ 2.72Å; E87-R90 IonicContact OE1-NE 3.69Å; E87-R90 IonicContact OE1-NH2 3.88Å; E87-R90 PolarHBondContact OE1-NH2 3.27Å; E87-R90 IonicContact OE2-CZ 3.18Å; E87-R90 IonicContact OE2-NE 3.47Å; E87-R90 PolarHBondContact OE2-NE 3.18Å; E87-R90 IonicContact OE2-NH2 2.78Å; E87-R90 PolarHBondContact OE2-NH2 3.38Å; R90-N92 PolarHBondContact O-N 3.09Å; R90-S93 PolarHBondContact O-N 3.12Å; R90-S93 PolarHBondContact O-OG 2.96Å; R90-A94 PolarHBondContact O-N 2.75Å; R90-A94 VanDerWaalsContact O-N 3.12Å
91	V	89.2	Confident	83.9	Confident	61 Å²	61	92.6 Å²	92.6	37%	0.37	44%	0.444	S	S	.	.	H	α-helix	trans	-58.4	-50.4	178	174.2	0	0	0	0	110.8	E87 S93 A94 F95	E87-V91 WeakPolarHBondContact O-CG2 3.46Å; E87-V91 PolarHBondContact O-N 3.29Å; E87-V91 WeakPolarHBondContact OE1-CG2 3.23Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 2.68Å; V91-A94 WeakPolarHBondContact O-CB 3.32Å; V91-A94 PolarHBondContact O-N 3.18Å; V91-F95 HydrophobicContact CG1-CD2 4.36Å; V91-F95 HydrophobicContact CG1-CE2 3.84Å; V91-F95 WeakPolarHBondContact O-CD2 3.2Å
92	N	85.3	Confident	83.5	Confident	44 Å²	44	93.1 Å²	93.1	24%	0.235	45%	0.449	C	S	.	.	H	α-helix	trans	-64.5	-36.2	-179.6	-175	59.4	0	0	0	113.1	S88 C89 R90 A94 F95 S96 Y263 M336	S88-N92 VanDerWaalsContact O-CB 3.25Å; S88-N92 WeakPolarHBondContact O-CB 3.4Å; S88-N92 PolarHBondContact O-N 2.85Å; C89-N92 PolarHBondContact O-N 3.12Å; R90-N92 PolarHBondContact O-N 3.09Å; N92-A94 VanDerWaalsContact C-N 3.31Å; N92-A94 PolarHBondContact O-N 2.9Å; N92-F95 PolarHBondContact O-N 3.46Å; N92-S96 PolarHBondContact O-N 3.18Å; N92-S96 VanDerWaalsContact O-N 3.16Å; N92-Y263 PolarHBondContact ND2-OH 3.23Å; N92-M336 HydrophobicContact CB-CE 3.77Å; N92-M336 HydrophobicContact CB-SD 4.32Å
93	S	81.1	Confident	83.3	Confident	61 Å²	61	95.7 Å²	95.7	43%	0.427	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-30.1	177.4	73.3	0	0	0	0	113	C89 R90 V91 F95 S96	C89-S93 VanDerWaalsContact O-CB 3.23Å; C89-S93 WeakPolarHBondContact O-CB 3.15Å; C89-S93 PolarHBondContact O-N 3.17Å; C89-S93 PolarHBondContact O-OG 2.95Å; R90-S93 PolarHBondContact O-N 3.12Å; R90-S93 PolarHBondContact O-OG 2.96Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 2.68Å; S93-F95 PolarHBondContact O-N 2.91Å; S93-S96 PolarHBondContact O-N 3.45Å; S93-S96 VanDerWaalsContact O-O 3.05Å
94	A	71.7	Confident	83	Confident	81 Å²	81	94.7 Å²	94.7	67%	0.669	47%	0.465	S	S	*	.	H	α-helix	trans	-63.3	-29.2	174.1	0	0	0	0	0	112.1	R90 V91 N92	R90-A94 PolarHBondContact O-N 2.75Å; R90-A94 VanDerWaalsContact O-N 3.12Å; V91-A94 WeakPolarHBondContact O-CB 3.32Å; V91-A94 PolarHBondContact O-N 3.18Å; N92-A94 VanDerWaalsContact C-N 3.31Å; N92-A94 PolarHBondContact O-N 2.9Å
95	F	65.4	Low	82.7	Confident	169 Å²	169	93.3 Å²	93.3	74%	0.741	47%	0.472	S	S	*	.	H	α-helix	trans	-90.7	-15.5	177.2	-62.4	-70.7	0	0	0	113.7	V91 N92 S93	V91-F95 HydrophobicContact CG1-CD2 4.36Å; V91-F95 HydrophobicContact CG1-CE2 3.84Å; V91-F95 WeakPolarHBondContact O-CD2 3.2Å; N92-F95 PolarHBondContact O-N 3.46Å; S93-F95 PolarHBondContact O-N 2.91Å
96	S	67.1	Low	82.5	Confident	63 Å²	63	93.7 Å²	93.7	44%	0.441	47%	0.473	S	S	.	.			trans	-111.9	109.9	-176.6	-174.7	0	0	0	0	112.2	N92 S93 K98	N92-S96 PolarHBondContact O-N 3.18Å; N92-S96 VanDerWaalsContact O-N 3.16Å; S93-S96 PolarHBondContact O-N 3.45Å; S93-S96 VanDerWaalsContact O-O 3.05Å; S96-K98 VanDerWaalsContact C-N 3.27Å; S96-K98 PolarHBondContact O-N 3.35Å
97	R	55.8	Low	82.6	Confident	253 Å²	253	90.5 Å²	90.5	96%	0.955	45%	0.454	S	S	*	.			trans	-76.2	-0.3	-176.8	-63.5	-174.3	-173.8	177.7	2	115.3
98	K	57.8	Low	82.6	Confident	186 Å²	186	91.9 Å²	91.9	81%	0.809	46%	0.458	S	S	*	.			trans	-118.5	107	-176.8	-70.7	-175.7	179.5	-179.6	0	111.1	S96 R100	S96-K98 VanDerWaalsContact C-N 3.27Å; S96-K98 PolarHBondContact O-N 3.35Å; K98-R100 PolarHBondContact O-N 2.84Å
99	R	63.9	Low	82.7	Confident	230 Å²	230	91.4 Å²	91.4	87%	0.868	46%	0.455	S	S	*	.			trans	-78.3	106.9	164.1	-76.6	-175	173	-179.3	-1.9	108.5
100	R	79.4	Confident	82.9	Confident	130 Å²	130	90.9 Å²	90.9	49%	0.491	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-78.2	134.2	174.1	175.9	178.1	170.5	-159.3	-9	108.9	K98 D106 H270	K98-R100 PolarHBondContact O-N 2.84Å; R100-D106 IonicContact CZ-OD1 3.26Å; R100-D106 IonicContact CZ-OD2 3.22Å; R100-D106 IonicContact NH1-OD1 3.71Å; R100-D106 IonicContact NH2-OD1 3.45Å; R100-D106 PolarHBondContact NH2-OD1 2.98Å; R100-D106 IonicContact NH2-OD2 3.94Å; R100-D106 PolarHBondContact NH2-OD2 2.75Å; R100-H270 PolarHBondContact O-CD2 3.37Å; R100-H270 PolarHBondContact O-NE2 2.87Å
101	V	85.8	Confident	83.3	Confident	126 Å²	126	83.9 Å²	83.9	76%	0.764	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-79.6	133.1	169.9	-178.6	0	0	0	0	108.7
102	L	90.8	Very high	83.7	Confident	42 Å²	42	81.2 Å²	81.2	22%	0.22	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-68	136.5	175.6	-62.9	-175.3	0	0	0	110.3	D106 L107 H267 H270 I271	L102-D106 HydrophobicContact CB-CB 4.45Å; L102-D106 HydrophobicContact CD2-CB 4.15Å; L102-L107 HydrophobicContact CD1-CD2 3.94Å; L102-H267 HydrophobicContact CD1-CB 4.35Å; L102-H267 HydrophobicContact CD2-CB 3.94Å; L102-H270 HydrophobicContact CD1-CB 3.66Å; L102-H270 HydrophobicContact CD2-CB 4.03Å; L102-H270 HydrophobicContact CG-CB 3.85Å; L102-I271 HydrophobicContact CD1-CD1 3.98Å; L102-I271 HydrophobicContact CD1-CG1 3.85Å
103	T	91.2	Very high	84.2	Confident	66 Å²	66	79.1 Å²	79.1	41%	0.405	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-99.9	161.6	172.5	66.9	0	0	0	0	109.8	G105 D106	T103-G105 PolarHBondContact O-N 3.38Å; T103-G105 VanDerWaalsContact O-N 3.1Å; T103-D106 PolarHBondContact N-OD2 2.73Å; T103-D106 VanDerWaalsContact O-CB 3.28Å; T103-D106 WeakPolarHBondContact O-CB 3.48Å; T103-D106 PolarHBondContact O-N 2.8Å; T103-D106 PolarHBondContact OG1-OD2 3.46Å
104	P	90.6	Very high	84.9	Confident	61 Å²	61	79.4 Å²	79.4	40%	0.396	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-52.7	-34.4	173.4	-28.5	36.2	0	0	0	113.2	D106 L107 N165 I169	P104-D106 PolarHBondContact O-N 2.91Å; P104-L107 PolarHBondContact O-N 3.15Å; P104-N165 HydrophobicContact CB-CB 4.27Å; P104-N165 WeakPolarHBondContact O-CB 3.47Å; P104-I169 HydrophobicContact CG-CD1 4.38Å
105	G	91.3	Very high	85.9	Confident	46 Å²	46	79 Å²	79	47%	0.474	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.9	176.4	0	0	0	0	0	114.4	T103 L107 K108	T103-G105 PolarHBondContact O-N 3.38Å; T103-G105 VanDerWaalsContact O-N 3.1Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.36Å; G105-K108 WeakPolarHBondContact O-CG 3.32Å
106	D	94.5	Very high	87.2	Confident	20 Å²	20	72.8 Å²	72.8	11%	0.107	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-74.4	-18.2	176.7	-61.4	-52.3	0	0	0	112	R100 L102 T103 P104 H267	R100-D106 IonicContact CZ-OD1 3.26Å; R100-D106 IonicContact CZ-OD2 3.22Å; R100-D106 IonicContact NH1-OD1 3.71Å; R100-D106 IonicContact NH2-OD1 3.45Å; R100-D106 PolarHBondContact NH2-OD1 2.98Å; R100-D106 IonicContact NH2-OD2 3.94Å; R100-D106 PolarHBondContact NH2-OD2 2.75Å; L102-D106 HydrophobicContact CB-CB 4.45Å; L102-D106 HydrophobicContact CD2-CB 4.15Å; T103-D106 PolarHBondContact N-OD2 2.73Å; T103-D106 VanDerWaalsContact O-CB 3.28Å; T103-D106 WeakPolarHBondContact O-CB 3.48Å; T103-D106 PolarHBondContact O-N 2.8Å; T103-D106 PolarHBondContact OG1-OD2 3.46Å; P104-D106 PolarHBondContact O-N 2.91Å; D106-H267 WeakPolarHBondContact CB-NE2 3.35Å; D106-H267 PolarHBondContact O-CD2 2.69Å; D106-H267 PolarHBondContact O-NE2 3.19Å; D106-H267 IonicContact OD1-CE1 3.62Å; D106-H267 IonicContact OD1-NE2 2.71Å
107	L	96.9	Very high	88.6	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.042	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-98	4.1	-174.2	-54	179.6	0	0	0	113.7	L102 P104 G105 H109 L110 L164 N165 I172 I271	L102-L107 HydrophobicContact CD1-CD2 3.94Å; P104-L107 PolarHBondContact O-N 3.15Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.36Å; L107-H109 PolarHBondContact O-N 3.49Å; L107-L110 HydrophobicContact CB-CD1 4.05Å; L107-L110 HydrophobicContact CD2-CD1 3.62Å; L107-L110 HydrophobicContact CG-CD1 4.41Å; L107-L110 WeakPolarHBondContact O-CB 3.42Å; L107-L110 PolarHBondContact O-N 3.06Å; L107-L164 HydrophobicContact CB-CB 4.26Å; L107-L164 HydrophobicContact CB-CD2 4.5Å; L107-L164 HydrophobicContact CD1-CD2 4.23Å; L107-L164 HydrophobicContact CD1-CG 4.4Å; L107-L164 HydrophobicContact CD2-CD2 4.46Å; L107-N165 HydrophobicContact CB-CB 4.12Å; L107-I172 HydrophobicContact CD1-CD1 3.95Å; L107-I172 HydrophobicContact CD1-CG1 4.42Å; L107-I172 HydrophobicContact CD1-CG2 3.63Å; L107-I271 HydrophobicContact CD2-CD1 4.04Å
108	K	96.4	Very high	90.6	Very high	107 Å²	107	60.9 Å²	60.9	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.8	-177.8	73.8	-175.8	-179.5	-177.1	0	114.6	G105 Y122 N165	G105-K108 WeakPolarHBondContact O-CG 3.32Å; K108-Y122 WeakPolarHBondContact O-CE1 3.5Å; K108-Y122 PolarHBondContact O-OH 3Å; K108-N165 WeakPolarHBondContact CA-OD1 3.45Å
109	H	97.5	Very high	92.5	Very high	4 Å²	4	52 Å²	52	2%	0.019	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.8	177.9	-78.9	-93	0	0	0	113.3	L107 V111 C121 Y122 E257	L107-H109 PolarHBondContact O-N 3.49Å; H109-V111 PolarHBondContact O-N 2.91Å; H109-C121 CarbonylContact O-C 3.44Å; H109-C121 VanDerWaalsContact O-CA 3.31Å; H109-C121 WeakPolarHBondContact O-CA 3.16Å; H109-Y122 VanDerWaalsContact CA-CE1 3.45Å; H109-Y122 HydrophobicContact CB-CD1 4.48Å; H109-Y122 HydrophobicContact CB-CE1 4.28Å; H109-Y122 AromaticContact CE1-CE2 3.47Å; H109-Y122 VanDerWaalsContact CE1-CE2 3.47Å; H109-Y122 WeakPolarHBondContact CE1-CE2 3.24Å; H109-Y122 AromaticContact CE1-CZ 3.74Å; H109-Y122 AromaticContact CG-CZ 3.99Å; H109-Y122 AromaticContact ND1-CD2 3.67Å; H109-Y122 AromaticContact ND1-CE2 3.27Å; H109-Y122 VanDerWaalsContact ND1-CE2 3.27Å; H109-Y122 WeakPolarHBondContact ND1-CE2 3.36Å; H109-Y122 AromaticContact ND1-CZ 3.45Å; H109-Y122 PolarHBondContact ND1-O 2.94Å; H109-Y122 WeakPolarHBondContact O-CD1 3.19Å; H109-Y122 PolarHBondContact O-N 2.99Å; H109-E257 IonicContact CE1-OE2 3.89Å; H109-E257 PolarHBondContact CE1-OE2 3.33Å
110	L	98.4	Very high	94.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	96.7	-174.8	-61.3	167.5	0	0	0	109.3	L107 I119 C121 T163 L164 I271 Y273	L107-L110 HydrophobicContact CB-CD1 4.05Å; L107-L110 HydrophobicContact CD2-CD1 3.62Å; L107-L110 HydrophobicContact CG-CD1 4.41Å; L107-L110 WeakPolarHBondContact O-CB 3.42Å; L107-L110 PolarHBondContact O-N 3.06Å; L110-I119 HydrophobicContact CB-CG2 3.74Å; L110-I119 HydrophobicContact CD2-CG2 3.74Å; L110-I119 HydrophobicContact CG-CG2 4.25Å; L110-C121 HydrophobicContact CD2-CB 3.7Å; L110-T163 CarbonylContact O-C 3.43Å; L110-T163 WeakPolarHBondContact O-CA 3.36Å; L110-T163 WeakPolarHBondContact O-CB 3.27Å; L110-L164 HydrophobicContact CB-CB 3.69Å; L110-L164 HydrophobicContact CB-CD2 4.25Å; L110-L164 HydrophobicContact CD1-CB 4.25Å; L110-L164 HydrophobicContact CD1-CD2 3.5Å; L110-L164 VanDerWaalsContact CD1-CD2 3.5Å; L110-L164 PolarHBondContact O-N 2.04Å; L110-I271 HydrophobicContact CD1-CD1 3.6Å; L110-I271 HydrophobicContact CD2-CD1 4.4Å; L110-Y273 HydrophobicContact CD2-CE1 4.4Å; L110-Y273 WeakPolarHBondContact CD2-OH 3.11Å
111	V	98.3	Very high	95.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.5	172.9	172.2	0	0	0	0	108.7	H109 I119 Y120 Y122 M135 L161 T163	H109-V111 PolarHBondContact O-N 2.91Å; V111-I119 CarbonylContact O-C 3.44Å; V111-I119 VanDerWaalsContact O-CA 3.32Å; V111-I119 WeakPolarHBondContact O-CA 3.41Å; V111-Y120 PolarHBondContact N-O 3Å; V111-Y120 PolarHBondContact O-N 3.2Å; V111-Y122 HydrophobicContact CG2-CD1 3.85Å; V111-Y122 HydrophobicContact CG2-CE1 4.29Å; V111-M135 HydrophobicContact CG1-CB 4.21Å; V111-M135 HydrophobicContact CG1-CE 3.88Å; V111-M135 HydrophobicContact CG1-CG 4.18Å; V111-L161 HydrophobicContact CG1-CB 3.94Å; V111-L161 HydrophobicContact CG1-CD1 4.11Å; V111-L161 HydrophobicContact CG1-CD2 4Å; V111-L161 HydrophobicContact CG1-CG 4.25Å; V111-L161 HydrophobicContact CG2-CB 4.36Å; V111-L161 HydrophobicContact CG2-CD1 4.35Å; V111-T163 HydrophobicContact CG2-CG2 4.07Å
112	V	98.2	Very high	95.7	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.1	-176.8	-177.2	0	0	0	0	109.9	E114 L118 K162 L164 Y167 Y179	V112-E114 WeakPolarHBondContact CG1-OE1 3.47Å; V112-L118 WeakPolarHBondContact CA-O 3.4Å; V112-K162 PolarHBondContact N-O 3.49Å; V112-L164 HydrophobicContact CG2-CB 3.91Å; V112-L164 HydrophobicContact CG2-CD1 3.85Å; V112-L164 HydrophobicContact CG2-CG 4.49Å; V112-Y167 HydrophobicContact CB-CE2 4.11Å; V112-Y167 HydrophobicContact CG1-CE2 4.36Å; V112-Y167 HydrophobicContact CG2-CE2 3.92Å; V112-Y179 HydrophobicContact CG1-CD2 4.18Å; V112-Y179 HydrophobicContact CG1-CE2 3.79Å
113	D	96.6	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.9	164.5	-179.3	-3.5	0	0	0	108.4	D115 H116 E117 L118 M135 L138 T139	D113-D115 PolarHBondContact OD1-N 3.34Å; D113-H116 PolarHBondContact OD1-N 2.95Å; D113-H116 IonicContact OD1-ND1 3.58Å; D113-H116 PolarHBondContact OD1-ND1 2.83Å; D113-H116 IonicContact OD2-CE1 3.44Å; D113-H116 IonicContact OD2-CG 2.78Å; D113-H116 IonicContact OD2-ND1 3.72Å; D113-H116 PolarHBondContact OD2-ND1 3.25Å; D113-E117 WeakPolarHBondContact O-CA 3.37Å; D113-E117 PolarHBondContact O-N 3.24Å; D113-E117 VanDerWaalsContact O-N 3.16Å; D113-L118 HydrophobicContact CB-CB 4.09Å; D113-L118 PolarHBondContact N-O 2.83Å; D113-L118 PolarHBondContact O-N 2.73Å; D113-M135 HydrophobicContact CB-CE 3.67Å; D113-L138 VanDerWaalsContact OD2-CB 3.29Å; D113-L138 WeakPolarHBondContact OD2-CB 3.44Å; D113-T139 HydrophobicContact CB-CG2 3.7Å; D113-T139 VanDerWaalsContact CG-CG2 3.49Å; D113-T139 WeakPolarHBondContact OD1-CG2 3.29Å
114	E	94.8	Very high	96.3	Very high	68 Å²	68	25.3 Å²	25.3	32%	0.318	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-35.9	179.5	-62.2	-69.3	146.5	0	0	112.1	V112 H116 E117 Y167 R175 Y179	V112-E114 WeakPolarHBondContact CG1-OE1 3.47Å; E114-H116 VanDerWaalsContact C-N 3.27Å; E114-H116 PolarHBondContact O-N 2.99Å; E114-E117 PolarHBondContact O-N 2.78Å; E114-Y167 WeakPolarHBondContact OE1-CE1 3.25Å; E114-Y167 PolarHBondContact OE1-OH 2.93Å; E114-R175 IonicContact OE1-CZ 3.22Å; E114-R175 VanDerWaalsContact OE1-CZ 3.22Å; E114-R175 IonicContact OE1-NE 2.7Å; E114-R175 PolarHBondContact OE1-NE 3.26Å; E114-R175 IonicContact OE1-NH2 2.93Å; E114-R175 PolarHBondContact OE1-NH2 2.93Å; E114-R175 IonicContact OE2-CZ 3.51Å; E114-R175 IonicContact OE2-NE 3.6Å; E114-R175 IonicContact OE2-NH2 2.71Å; E114-R175 PolarHBondContact OE2-NH2 2.8Å; E114-Y179 PolarHBondContact OE2-OH 3.1Å
115	D	92.4	Very high	96.6	Very high	73 Å²	73	24.2 Å²	24.2	39%	0.39	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-28	-169.7	-65.2	-25.3	0	0	0	110.3	D113 R141	D113-D115 PolarHBondContact OD1-N 3.34Å; D115-R141 IonicContact OD1-NH2 3.59Å; D115-R141 IonicContact OD2-NE 3.51Å
116	H	93.8	Very high	96.8	Very high	37 Å²	37	22 Å²	22	17%	0.171	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	5.4	178.3	-53.4	88.6	0	0	0	114	D113 E114 L118 V293	D113-H116 PolarHBondContact OD1-N 2.95Å; D113-H116 IonicContact OD1-ND1 3.58Å; D113-H116 PolarHBondContact OD1-ND1 2.83Å; D113-H116 IonicContact OD2-CE1 3.44Å; D113-H116 IonicContact OD2-CG 2.78Å; D113-H116 IonicContact OD2-ND1 3.72Å; D113-H116 PolarHBondContact OD2-ND1 3.25Å; E114-H116 VanDerWaalsContact C-N 3.27Å; E114-H116 PolarHBondContact O-N 2.99Å; H116-L118 HydrophobicContact CB-CD1 3.84Å; H116-L118 HydrophobicContact CB-CD2 4.45Å; H116-L118 HydrophobicContact CB-CG 3.76Å; H116-L118 WeakPolarHBondContact O-CD2 3.31Å; H116-L118 WeakPolarHBondContact O-CG 3.06Å; H116-L118 PolarHBondContact O-N 3.47Å; H116-V293 HydrophobicContact CB-CG1 4.04Å
117	E	96.4	Very high	96.7	Very high	65 Å²	65	22 Å²	22	30%	0.304	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	49.6	-177.6	-56.8	-177.2	134.7	0	0	113.2	N58 D113 E114 Y179 F180	N58-E117 WeakPolarHBondContact CB-OE2 3.43Å; N58-E117 PolarHBondContact ND2-OE2 3.22Å; D113-E117 WeakPolarHBondContact O-CA 3.37Å; D113-E117 PolarHBondContact O-N 3.24Å; D113-E117 VanDerWaalsContact O-N 3.16Å; E114-E117 PolarHBondContact O-N 2.78Å; E117-Y179 VanDerWaalsContact C-CD2 3.43Å; E117-Y179 HydrophobicContact CB-CD1 3.7Å; E117-Y179 HydrophobicContact CB-CD2 4.31Å; E117-Y179 HydrophobicContact CB-CE1 3.82Å; E117-Y179 HydrophobicContact CB-CE2 4.42Å; E117-Y179 HydrophobicContact CB-CG 3.96Å; E117-Y179 HydrophobicContact CG-CD1 4.17Å; E117-Y179 HydrophobicContact CG-CE1 3.81Å; E117-Y179 CarbonylContact O-C 3.35Å; E117-Y179 WeakPolarHBondContact O-CA 3Å; E117-Y179 WeakPolarHBondContact O-CB 3.44Å; E117-F180 PolarHBondContact O-N 3.32Å
118	L	97.7	Very high	96.6	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149	-177.2	-47	175.4	0	0	0	112.6	A59 V112 D113 H116 M135 L138 F180 V293	A59-L118 HydrophobicContact CB-CD2 4.03Å; V112-L118 WeakPolarHBondContact CA-O 3.4Å; D113-L118 HydrophobicContact CB-CB 4.09Å; D113-L118 PolarHBondContact N-O 2.83Å; D113-L118 PolarHBondContact O-N 2.73Å; H116-L118 HydrophobicContact CB-CD1 3.84Å; H116-L118 HydrophobicContact CB-CD2 4.45Å; H116-L118 HydrophobicContact CB-CG 3.76Å; H116-L118 WeakPolarHBondContact O-CD2 3.31Å; H116-L118 WeakPolarHBondContact O-CG 3.06Å; H116-L118 PolarHBondContact O-N 3.47Å; L118-M135 HydrophobicContact CB-CE 4.49Å; L118-L138 HydrophobicContact CD1-CD1 4.08Å; L118-F180 CarbonylContact C-O 3.56Å; L118-F180 WeakPolarHBondContact CA-O 3.23Å; L118-F180 HydrophobicContact CD2-CB 3.9Å; L118-F180 HydrophobicContact CD2-CD1 3.97Å; L118-F180 HydrophobicContact CD2-CG 4.34Å; L118-V293 HydrophobicContact CD1-CG1 4.05Å; L118-V293 HydrophobicContact CD1-CG2 3.64Å; L118-V293 HydrophobicContact CD2-CG2 3.79Å; L118-V293 HydrophobicContact CG-CG2 4.35Å
119	I	98.6	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.4	167.4	-57	178.6	0	0	0	109.2	L110 V111 L164 R175 L176 Y179 F180 K181 F182	L110-I119 HydrophobicContact CB-CG2 3.74Å; L110-I119 HydrophobicContact CD2-CG2 3.74Å; L110-I119 HydrophobicContact CG-CG2 4.25Å; V111-I119 CarbonylContact O-C 3.44Å; V111-I119 VanDerWaalsContact O-CA 3.32Å; V111-I119 WeakPolarHBondContact O-CA 3.41Å; I119-L164 HydrophobicContact CD1-CD2 4.46Å; I119-R175 HydrophobicContact CD1-CB 4.05Å; I119-L176 HydrophobicContact CD1-CD2 4.44Å; I119-Y179 HydrophobicContact CD1-CD2 4.44Å; I119-Y179 HydrophobicContact CG1-CD2 3.96Å; I119-Y179 HydrophobicContact CG1-CG 4.36Å; I119-F180 PolarHBondContact N-O 2.83Å; I119-K181 HydrophobicContact CB-CG 3.86Å; I119-K181 HydrophobicContact CD1-CD 4.37Å; I119-K181 HydrophobicContact CD1-CG 3.95Å; I119-K181 HydrophobicContact CG1-CG 4.28Å; I119-K181 HydrophobicContact CG2-CG 4.47Å; I119-K181 CarbonylContact O-C 3.57Å; I119-K181 WeakPolarHBondContact O-CA 3.32Å; I119-F182 PolarHBondContact O-N 3.4Å
120	Y	98.6	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.6	174.2	170.4	-128.4	0	0	0	110.7	V111 Y122 C128 W131 M135 F182	V111-Y120 PolarHBondContact N-O 3Å; V111-Y120 PolarHBondContact O-N 3.2Å; Y120-Y122 VanDerWaalsContact CE1-CB 3.41Å; Y120-Y122 PolarHBondContact O-N 3.24Å; Y120-C128 WeakPolarHBondContact OH-CA 3.34Å; Y120-W131 HydrophobicContact CD1-CB 4.01Å; Y120-W131 HydrophobicContact CE1-CB 3.29Å; Y120-W131 HydrophobicContact CE1-CG 4.1Å; Y120-W131 HydrophobicContact CE2-CB 4.08Å; Y120-W131 HydrophobicContact CE2-CD2 4.48Å; Y120-W131 AromaticContact CE2-CG 3.99Å; Y120-W131 HydrophobicContact CE2-CG 3.99Å; Y120-W131 AromaticContact CZ-CG 3.68Å; Y120-W131 WeakPolarHBondContact OH-CB 3.33Å; Y120-M135 HydrophobicContact CD1-CG 4.19Å; Y120-F182 AromaticContact CD2-CD2 3.75Å; Y120-F182 HydrophobicContact CD2-CD2 3.75Å; Y120-F182 AromaticContact CD2-CE2 3.31Å; Y120-F182 HydrophobicContact CD2-CE2 3.31Å; Y120-F182 AromaticContact CD2-CZ 3.83Å; Y120-F182 HydrophobicContact CD2-CZ 3.83Å; Y120-F182 HydrophobicContact CE2-CD2 4.43Å; Y120-F182 HydrophobicContact CE2-CE2 4.04Å; Y120-F182 AromaticContact CG-CE2 3.9Å; Y120-F182 HydrophobicContact CG-CE2 3.9Å; Y120-F182 AromaticContact CG-CZ 3.93Å; Y120-F182 HydrophobicContact CG-CZ 3.93Å
121	C	98.7	Very high	96.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108.4	167.2	-168.1	0	0	0	0	110.7	H109 L110 V123 F182 L183 C266 Y273	H109-C121 CarbonylContact O-C 3.44Å; H109-C121 VanDerWaalsContact O-CA 3.31Å; H109-C121 WeakPolarHBondContact O-CA 3.16Å; L110-C121 HydrophobicContact CD2-CB 3.7Å; C121-V123 PolarHBondContact O-N 3.48Å; C121-F182 PolarHBondContact N-O 3.05Å; C121-L183 HydrophobicContact CB-CB 3.98Å; C121-C266 HydrophobicContact CB-CB 3.95Å; C121-C266 WeakPolarHBondContact CB-SG 3.41Å; C121-C266 WeakPolarHBondContact SG-CA 3.42Å; C121-C266 WeakPolarHBondContact SG-CB 3.38Å; C121-C266 CovalentContact SG-SG 2.04Å; C121-C266 PolarHBondContact SG-SG 3.4Å; C121-Y273 HydrophobicContact CB-CE1 3.74Å; C121-Y273 WeakPolarHBondContact CB-OH 3.47Å
122	Y	98.1	Very high	96.2	Very high	29 Å²	29	19.2 Å²	19.2	11%	0.114	10%	0.097	C	C	.	.			trans	-80	123.8	179	73.7	-93.4	0	0	0	112.3	K108 H109 V111 Y120 K132	K108-Y122 WeakPolarHBondContact O-CE1 3.5Å; K108-Y122 PolarHBondContact O-OH 3Å; H109-Y122 VanDerWaalsContact CA-CE1 3.45Å; H109-Y122 HydrophobicContact CB-CD1 4.48Å; H109-Y122 HydrophobicContact CB-CE1 4.28Å; H109-Y122 AromaticContact CE1-CE2 3.47Å; H109-Y122 VanDerWaalsContact CE1-CE2 3.47Å; H109-Y122 WeakPolarHBondContact CE1-CE2 3.24Å; H109-Y122 AromaticContact CE1-CZ 3.74Å; H109-Y122 AromaticContact CG-CZ 3.99Å; H109-Y122 AromaticContact ND1-CD2 3.67Å; H109-Y122 AromaticContact ND1-CE2 3.27Å; H109-Y122 VanDerWaalsContact ND1-CE2 3.27Å; H109-Y122 WeakPolarHBondContact ND1-CE2 3.36Å; H109-Y122 AromaticContact ND1-CZ 3.45Å; H109-Y122 PolarHBondContact ND1-O 2.94Å; H109-Y122 WeakPolarHBondContact O-CD1 3.19Å; H109-Y122 PolarHBondContact O-N 2.99Å; V111-Y122 HydrophobicContact CG2-CD1 3.85Å; V111-Y122 HydrophobicContact CG2-CE1 4.29Å; Y120-Y122 VanDerWaalsContact CE1-CB 3.41Å; Y120-Y122 PolarHBondContact O-N 3.24Å; Y122-K132 VanDerWaalsContact CG-CE 3.45Å
123	V	98.2	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.			trans	-110.4	120.2	172.3	-178.2	0	0	0	0	108.7	C121 V126 C128 V262 L265 C266	C121-V123 PolarHBondContact O-N 3.48Å; V123-V126 HydrophobicContact CB-CB 4.35Å; V123-V126 HydrophobicContact CB-CG2 3.98Å; V123-V126 HydrophobicContact CG1-CG2 3.63Å; V123-V126 PolarHBondContact O-N 3.15Å; V123-C128 WeakPolarHBondContact O-CB 3.34Å; V123-V262 HydrophobicContact CG1-CG2 3.77Å; V123-V262 HydrophobicContact CG2-CG1 4.01Å; V123-V262 HydrophobicContact CG2-CG2 4.25Å; V123-L265 HydrophobicContact CG1-CD1 4.38Å; V123-C266 VanDerWaalsContact CG2-SG 3.59Å
124	P	97.3	Very high	96.1	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.026	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	152.5	178.3	-26.7	34.9	0	0	0	113.1	V126 R191 E257 H258	P124-V126 PolarHBondContact O-N 3.23Å; P124-R191 PolarHBondContact O-NH1 3.09Å; P124-E257 HydrophobicContact CG-CB 4.21Å; P124-E257 HydrophobicContact CG-CG 4.14Å; P124-H258 VanDerWaalsContact CB-ND1 3.3Å; P124-H258 WeakPolarHBondContact CB-ND1 3.17Å
125	K	95.7	Very high	96.2	Very high	37 Å²	37	16.4 Å²	16.4	16%	0.161	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	12.3	177.3	-42.5	-55.8	167.6	-155.7	0	115.4	R186 R191 A195 N198	K125-R186 PolarHBondContact O-NH1 3.44Å; K125-R191 HydrophobicContact CB-CG 3.88Å; K125-A195 HydrophobicContact CG-CB 4.02Å; K125-N198 HydrophobicContact CD-CB 4.47Å; K125-N198 PolarHBondContact NZ-OD1 3.34Å
126	V	95.8	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	53.4	171.7	-161.7	0	0	0	0	109.8	V123 P124 C128 F184 V185 R186 R191 Y279	V123-V126 HydrophobicContact CB-CB 4.35Å; V123-V126 HydrophobicContact CB-CG2 3.98Å; V123-V126 HydrophobicContact CG1-CG2 3.63Å; V123-V126 PolarHBondContact O-N 3.15Å; P124-V126 PolarHBondContact O-N 3.23Å; V126-C128 PolarHBondContact O-N 3.08Å; V126-F184 HydrophobicContact CG1-CB 3.63Å; V126-V185 WeakPolarHBondContact CG1-O 3.5Å; V126-R186 HydrophobicContact CG1-CB 4.15Å; V126-R186 HydrophobicContact CG2-CB 3.82Å; V126-R191 HydrophobicContact CG2-CG 4.25Å; V126-Y279 HydrophobicContact CG1-CD2 4.16Å; V126-Y279 HydrophobicContact CG1-CG 4.47Å
127	A	93.3	Very high	96.5	Very high	19 Å²	19	11.7 Å²	11.7	16%	0.157	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	23.9	-175.5	0	0	0	0	0	115.8	T129 N130 W131 Y279 L282 F301	A127-T129 PolarHBondContact O-N 3.15Å; A127-T129 VanDerWaalsContact O-N 3.09Å; A127-N130 PolarHBondContact O-N 3.35Å; A127-W131 PolarHBondContact O-N 2.92Å; A127-W131 VanDerWaalsContact O-N 3.09Å; A127-Y279 HydrophobicContact CB-CD2 4.34Å; A127-Y279 HydrophobicContact CB-CE2 4.05Å; A127-L282 HydrophobicContact CB-CD1 3.94Å; A127-L282 HydrophobicContact CB-CD2 3.5Å; A127-L282 VanDerWaalsContact CB-CD2 3.5Å; A127-L282 HydrophobicContact CB-CG 4.37Å; A127-F301 HydrophobicContact CB-CZ 4.02Å
128	C	94.3	Very high	96.3	Very high	10 Å²	10	9.2 Å²	9.2	7%	0.068	5%	0.048	C	C	.	.	H	α-helix	trans	-56.8	-31.1	-176.7	63.7	0	0	0	0	114.1	Y120 V123 V126 K132	Y120-C128 WeakPolarHBondContact OH-CA 3.34Å; V123-C128 WeakPolarHBondContact O-CB 3.34Å; V126-C128 PolarHBondContact O-N 3.08Å; C128-K132 WeakPolarHBondContact O-CB 2.89Å; C128-K132 VanDerWaalsContact O-CG 3.24Å; C128-K132 WeakPolarHBondContact O-CG 3.5Å; C128-K132 PolarHBondContact O-N 2.88Å
129	T	94.2	Very high	96.1	Very high	28 Å²	28	10.9 Å²	10.9	17%	0.172	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-44.1	176.4	-51.8	0	0	0	0	110.5	A127 K132 R133 S152 A155 H156	A127-T129 PolarHBondContact O-N 3.15Å; A127-T129 VanDerWaalsContact O-N 3.09Å; T129-K132 PolarHBondContact O-N 3.43Å; T129-R133 VanDerWaalsContact O-CG 3.23Å; T129-R133 WeakPolarHBondContact O-CG 3.38Å; T129-R133 PolarHBondContact O-N 2.88Å; T129-S152 WeakPolarHBondContact CG2-OG 3.27Å; T129-A155 HydrophobicContact CG2-CB 4.11Å; T129-H156 PolarHBondContact OG1-NE2 3.14Å
130	N	95	Very high	95.5	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-68.6	-43.1	178.7	-73.9	-0.7	0	0	0	111.6	A127 K132 R133 V134 F301 P302 Y304	A127-N130 PolarHBondContact O-N 3.35Å; N130-K132 VanDerWaalsContact C-N 3.33Å; N130-K132 PolarHBondContact O-N 3.29Å; N130-R133 WeakPolarHBondContact O-CB 3.45Å; N130-R133 PolarHBondContact O-N 3.4Å; N130-R133 VanDerWaalsContact O-N 3.16Å; N130-R133 PolarHBondContact OD1-NH1 2.9Å; N130-V134 WeakPolarHBondContact O-CG2 3.48Å; N130-V134 PolarHBondContact O-N 3.39Å; N130-F301 HydrophobicContact CB-CE1 4.18Å; N130-F301 HydrophobicContact CB-CE2 3.92Å; N130-F301 HydrophobicContact CB-CZ 3.54Å; N130-P302 HydrophobicContact CB-CB 4.44Å; N130-P302 HydrophobicContact CB-CG 4.29Å; N130-P302 PolarHBondContact ND2-O 3.25Å; N130-Y304 VanDerWaalsContact ND2-CD2 3.33Å; N130-Y304 WeakPolarHBondContact ND2-CD2 3.41Å; N130-Y304 WeakPolarHBondContact ND2-CE2 3.45Å; N130-Y304 VanDerWaalsContact OD1-CE2 3.29Å; N130-Y304 WeakPolarHBondContact OD1-CE2 3.45Å
131	W	96.7	Very high	94.8	Very high	3 Å²	3	21 Å²	21	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-41.9	173.1	-84.1	111.7	0	0	0	112.3	Y120 A127 R133 V134 M135 F182 F184 A286 I289 F301	Y120-W131 HydrophobicContact CD1-CB 4.01Å; Y120-W131 HydrophobicContact CE1-CB 3.29Å; Y120-W131 HydrophobicContact CE1-CG 4.1Å; Y120-W131 HydrophobicContact CE2-CB 4.08Å; Y120-W131 HydrophobicContact CE2-CD2 4.48Å; Y120-W131 AromaticContact CE2-CG 3.99Å; Y120-W131 HydrophobicContact CE2-CG 3.99Å; Y120-W131 AromaticContact CZ-CG 3.68Å; Y120-W131 WeakPolarHBondContact OH-CB 3.33Å; A127-W131 PolarHBondContact O-N 2.92Å; A127-W131 VanDerWaalsContact O-N 3.09Å; W131-R133 VanDerWaalsContact C-N 3.3Å; W131-R133 PolarHBondContact O-N 2.83Å; W131-V134 HydrophobicContact CE3-CB 4.35Å; W131-V134 HydrophobicContact CE3-CG1 4.17Å; W131-V134 HydrophobicContact CZ3-CG1 4.09Å; W131-V134 WeakPolarHBondContact O-CB 3.45Å; W131-V134 PolarHBondContact O-N 3.16Å; W131-M135 VanDerWaalsContact O-CG 3.25Å; W131-M135 WeakPolarHBondContact O-CG 3.27Å; W131-M135 PolarHBondContact O-N 2.99Å; W131-F182 AromaticContact CD2-CE2 3.94Å; W131-F182 HydrophobicContact CD2-CE2 3.94Å; W131-F182 AromaticContact CE3-CE2 3.63Å; W131-F182 HydrophobicContact CE3-CE2 3.63Å; W131-F182 AromaticContact CE3-CZ 3.79Å; W131-F182 HydrophobicContact CE3-CZ 3.79Å; W131-F182 AromaticContact CH2-CE2 3.82Å; W131-F182 HydrophobicContact CH2-CE2 3.82Å; W131-F182 HydrophobicContact CH2-CZ 4.25Å; W131-F182 HydrophobicContact CZ2-CE2 4.12Å; W131-F182 AromaticContact CZ3-CE2 3.55Å; W131-F182 HydrophobicContact CZ3-CE2 3.55Å; W131-F182 AromaticContact CZ3-CZ 3.62Å; W131-F182 HydrophobicContact CZ3-CZ 3.62Å; W131-F184 HydrophobicContact CD2-CE2 4.45Å; W131-F184 AromaticContact CE2-CD2 3.69Å; W131-F184 AromaticContact CE2-CE2 3.33Å; W131-F184 AromaticContact CE2-CZ 3.81Å; W131-F184 HydrophobicContact CH2-CE2 4.07Å; W131-F184 HydrophobicContact CH2-CZ 4.4Å; W131-F184 AromaticContact CZ2-CD2 3.97Å; W131-F184 HydrophobicContact CZ2-CD2 3.97Å; W131-F184 HydrophobicContact CZ2-CE1 4.31Å; W131-F184 AromaticContact CZ2-CE2 3.11Å; W131-F184 HydrophobicContact CZ2-CE2 3.11Å; W131-F184 AromaticContact CZ2-CZ 3.34Å; W131-F184 HydrophobicContact CZ2-CZ 3.34Å; W131-F184 AromaticContact NE1-CD2 3.29Å; W131-F184 VanDerWaalsContact NE1-CD2 3.29Å; W131-F184 AromaticContact NE1-CE2 3.37Å; W131-F184 AromaticContact NE1-CG 3.66Å; W131-F184 AromaticContact NE1-CZ 3.78Å; W131-A286 HydrophobicContact CH2-CB 3.93Å; W131-A286 HydrophobicContact CZ2-CB 3.43Å; W131-A286 VanDerWaalsContact CZ2-CB 3.43Å; W131-I289 HydrophobicContact CH2-CB 4.1Å; W131-I289 HydrophobicContact CH2-CD1 3.82Å; W131-I289 HydrophobicContact CH2-CG2 4.1Å; W131-I289 HydrophobicContact CZ2-CD1 4.05Å; W131-I289 HydrophobicContact CZ3-CG2 4.41Å; W131-F301 AromaticContact CD1-CE2 3.76Å; W131-F301 AromaticContact CD1-CZ 3.98Å; W131-F301 HydrophobicContact CD2-CD2 4.38Å; W131-F301 AromaticContact CD2-CE2 3.72Å; W131-F301 HydrophobicContact CD2-CE2 3.72Å; W131-F301 AromaticContact CE2-CE2 3.52Å; W131-F301 HydrophobicContact CE3-CE2 4.39Å; W131-F301 AromaticContact CG-CE2 3.85Å; W131-F301 HydrophobicContact CG-CE2 3.85Å; W131-F301 HydrophobicContact CG-CZ 4.46Å; W131-F301 HydrophobicContact CH2-CD2 4.47Å; W131-F301 HydrophobicContact CZ2-CD2 4.13Å; W131-F301 HydrophobicContact CZ2-CE2 4.01Å; W131-F301 AromaticContact NE1-CE2 3.55Å; W131-F301 AromaticContact NE1-CZ 3.84Å
132	K	96.7	Very high	94.1	Very high	21 Å²	21	22.1 Å²	22.1	9%	0.091	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-37.9	174.7	-74.7	-175.1	-174.9	-163.7	0	112.4	Y122 C128 T129 N130 M135 M136 A155 L161	Y122-K132 VanDerWaalsContact CG-CE 3.45Å; C128-K132 WeakPolarHBondContact O-CB 2.89Å; C128-K132 VanDerWaalsContact O-CG 3.24Å; C128-K132 WeakPolarHBondContact O-CG 3.5Å; C128-K132 PolarHBondContact O-N 2.88Å; T129-K132 PolarHBondContact O-N 3.43Å; N130-K132 VanDerWaalsContact C-N 3.33Å; N130-K132 PolarHBondContact O-N 3.29Å; K132-M135 PolarHBondContact O-N 2.86Å; K132-M136 WeakPolarHBondContact O-CB 3.46Å; K132-M136 VanDerWaalsContact O-CG 3.26Å; K132-M136 WeakPolarHBondContact O-CG 3.35Å; K132-M136 PolarHBondContact O-N 3.17Å; K132-A155 HydrophobicContact CB-CB 4.24Å; K132-A155 WeakPolarHBondContact CD-O 3.34Å; K132-L161 HydrophobicContact CB-CD1 3.72Å; K132-L161 HydrophobicContact CD-CD1 4.25Å; K132-L161 HydrophobicContact CG-CD1 3.72Å
133	R	96.4	Very high	93.6	Very high	14 Å²	14	27.4 Å²	27.4	5%	0.053	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-44.9	173.7	-65.9	162.1	156	162.9	-10.6	112	T129 N130 W131 M136 V137 P147 I150 A155 Y304	T129-R133 VanDerWaalsContact O-CG 3.23Å; T129-R133 WeakPolarHBondContact O-CG 3.38Å; T129-R133 PolarHBondContact O-N 2.88Å; N130-R133 WeakPolarHBondContact O-CB 3.45Å; N130-R133 PolarHBondContact O-N 3.4Å; N130-R133 VanDerWaalsContact O-N 3.16Å; N130-R133 PolarHBondContact OD1-NH1 2.9Å; W131-R133 VanDerWaalsContact C-N 3.3Å; W131-R133 PolarHBondContact O-N 2.83Å; R133-M136 WeakPolarHBondContact O-CB 3.41Å; R133-M136 PolarHBondContact O-N 3.22Å; R133-M136 VanDerWaalsContact O-N 3.15Å; R133-V137 WeakPolarHBondContact O-CG2 3.49Å; R133-V137 PolarHBondContact O-N 2.98Å; R133-P147 HydrophobicContact CB-CB 3.65Å; R133-P147 WeakPolarHBondContact CB-O 3.24Å; R133-P147 WeakPolarHBondContact CD-O 3.25Å; R133-P147 WeakPolarHBondContact CG-O 3.37Å; R133-I150 HydrophobicContact CB-CB 4.49Å; R133-I150 HydrophobicContact CB-CD1 4.23Å; R133-I150 HydrophobicContact CG-CB 3.99Å; R133-I150 HydrophobicContact CG-CG2 4.09Å; R133-I150 VanDerWaalsContact CZ-O 3.3Å; R133-I150 PolarHBondContact NE-O 3.31Å; R133-I150 PolarHBondContact NH2-O 2.93Å; R133-A155 HydrophobicContact CG-CB 3.87Å; R133-Y304 PolarHBondContact NH1-OH 3.37Å
134	V	96.4	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-50	173.4	167.6	0	0	0	0	110.2	N130 W131 M136 V137 L138 P147 L290 L299 F301	N130-V134 WeakPolarHBondContact O-CG2 3.48Å; N130-V134 PolarHBondContact O-N 3.39Å; W131-V134 HydrophobicContact CE3-CB 4.35Å; W131-V134 HydrophobicContact CE3-CG1 4.17Å; W131-V134 HydrophobicContact CZ3-CG1 4.09Å; W131-V134 WeakPolarHBondContact O-CB 3.45Å; W131-V134 PolarHBondContact O-N 3.16Å; V134-M136 VanDerWaalsContact C-N 3.27Å; V134-M136 PolarHBondContact O-N 3.33Å; V134-V137 WeakPolarHBondContact O-CB 3.2Å; V134-V137 PolarHBondContact O-N 2.98Å; V134-V137 VanDerWaalsContact O-N 3.08Å; V134-L138 HydrophobicContact CG1-CD1 4.1Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CG 3.11Å; V134-L138 PolarHBondContact O-N 3.46Å; V134-P147 HydrophobicContact CG2-CB 4.35Å; V134-P147 HydrophobicContact CG2-CG 3.96Å; V134-L290 HydrophobicContact CG1-CD2 3.97Å; V134-L299 HydrophobicContact CG1-CD2 4.02Å; V134-F301 HydrophobicContact CG2-CD2 4.06Å; V134-F301 HydrophobicContact CG2-CE2 4.49Å
135	M	96.6	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-36.7	176.4	-63.2	-57.3	-72.7	0	0	112.2	V111 D113 L118 Y120 W131 K132 L138 T139 L161 F182	V111-M135 HydrophobicContact CG1-CB 4.21Å; V111-M135 HydrophobicContact CG1-CE 3.88Å; V111-M135 HydrophobicContact CG1-CG 4.18Å; D113-M135 HydrophobicContact CB-CE 3.67Å; L118-M135 HydrophobicContact CB-CE 4.49Å; Y120-M135 HydrophobicContact CD1-CG 4.19Å; W131-M135 VanDerWaalsContact O-CG 3.25Å; W131-M135 WeakPolarHBondContact O-CG 3.27Å; W131-M135 PolarHBondContact O-N 2.99Å; K132-M135 PolarHBondContact O-N 2.86Å; M135-L138 PolarHBondContact O-N 3.12Å; M135-L138 HydrophobicContact SD-CD1 4.41Å; M135-T139 WeakPolarHBondContact O-CB 3.26Å; M135-T139 WeakPolarHBondContact O-CG2 3.48Å; M135-T139 PolarHBondContact O-N 3.35Å; M135-T139 PolarHBondContact O-OG1 2.96Å; M135-L161 HydrophobicContact CB-CD1 4.27Å; M135-L161 HydrophobicContact CB-CD2 3.74Å; M135-F182 HydrophobicContact SD-CZ 4.36Å
136	M	96	Very high	92.6	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-30.4	176.3	-76.4	177.4	66.4	0	0	113	K132 R133 V134 G140 Y144 I150 A155 N160 L161	K132-M136 WeakPolarHBondContact O-CB 3.46Å; K132-M136 VanDerWaalsContact O-CG 3.26Å; K132-M136 WeakPolarHBondContact O-CG 3.35Å; K132-M136 PolarHBondContact O-N 3.17Å; R133-M136 WeakPolarHBondContact O-CB 3.41Å; R133-M136 PolarHBondContact O-N 3.22Å; R133-M136 VanDerWaalsContact O-N 3.15Å; V134-M136 VanDerWaalsContact C-N 3.27Å; V134-M136 PolarHBondContact O-N 3.33Å; M136-G140 WeakPolarHBondContact O-CA 3.44Å; M136-G140 PolarHBondContact O-N 3.27Å; M136-Y144 HydrophobicContact CE-CE2 3.82Å; M136-I150 HydrophobicContact CB-CD1 3.71Å; M136-I150 HydrophobicContact CE-CD1 4.29Å; M136-I150 HydrophobicContact CE-CG2 3.82Å; M136-I150 HydrophobicContact SD-CD1 4.48Å; M136-I150 HydrophobicContact SD-CG2 3.96Å; M136-A155 HydrophobicContact SD-CB 4.44Å; M136-N160 HydrophobicContact CE-CB 3.96Å; M136-N160 HydrophobicContact SD-CB 4.08Å; M136-L161 HydrophobicContact CG-CD1 4.11Å; M136-L161 HydrophobicContact CG-CD2 3.71Å; M136-L161 HydrophobicContact CG-CG 3.79Å
137	V	95.3	Very high	92.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-68.7	-48.2	171	171.1	0	0	0	0	109.6	F46 R133 V134 G140 P147 I150 L299	F46-V137 HydrophobicContact CD2-CG1 4.47Å; F46-V137 HydrophobicContact CE2-CG1 4.15Å; F46-V137 HydrophobicContact CZ-CG1 4.15Å; R133-V137 WeakPolarHBondContact O-CG2 3.49Å; R133-V137 PolarHBondContact O-N 2.98Å; V134-V137 WeakPolarHBondContact O-CB 3.2Å; V134-V137 PolarHBondContact O-N 2.98Å; V134-V137 VanDerWaalsContact O-N 3.08Å; V137-G140 PolarHBondContact O-N 2.97Å; V137-P147 HydrophobicContact CG2-CB 4.37Å; V137-P147 HydrophobicContact CG2-CG 3.95Å; V137-I150 HydrophobicContact CG2-CD1 4.08Å; V137-L299 HydrophobicContact CB-CD1 4.49Å; V137-L299 HydrophobicContact CG1-CD1 3.93Å; V137-L299 HydrophobicContact CG1-CD2 4.22Å
138	L	93.6	Very high	92.5	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-48.3	-179.5	-65.1	175.6	0	0	0	112.7	D113 L118 V134 M135 V295 L299	D113-L138 VanDerWaalsContact OD2-CB 3.29Å; D113-L138 WeakPolarHBondContact OD2-CB 3.44Å; L118-L138 HydrophobicContact CD1-CD1 4.08Å; V134-L138 HydrophobicContact CG1-CD1 4.1Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CG 3.11Å; V134-L138 PolarHBondContact O-N 3.46Å; M135-L138 PolarHBondContact O-N 3.12Å; M135-L138 HydrophobicContact SD-CD1 4.41Å; L138-V295 HydrophobicContact CD2-CG1 4.16Å; L138-V295 HydrophobicContact CD2-CG2 4.11Å; L138-L299 HydrophobicContact CD2-CD2 3.73Å; L138-L299 HydrophobicContact CG-CD2 4.09Å
139	T	92.6	Very high	92.4	Very high	38 Å²	38	41.5 Å²	41.5	23%	0.233	21%	0.209	C	C	.	.	H	α-helix	trans	-84.4	-11.1	-179.5	58.9	0	0	0	0	113.7	D113 M135 R141	D113-T139 HydrophobicContact CB-CG2 3.7Å; D113-T139 VanDerWaalsContact CG-CG2 3.49Å; D113-T139 WeakPolarHBondContact OD1-CG2 3.29Å; M135-T139 WeakPolarHBondContact O-CB 3.26Å; M135-T139 WeakPolarHBondContact O-CG2 3.48Å; M135-T139 PolarHBondContact O-N 3.35Å; M135-T139 PolarHBondContact O-OG1 2.96Å; T139-R141 PolarHBondContact O-N 3.03Å
140	G	86.3	Confident	92.3	Very high	21 Å²	21	40.1 Å²	40.1	22%	0.216	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.9	-171	0	0	0	0	0	114.7	M136 V137 G142 K143	M136-G140 WeakPolarHBondContact O-CA 3.44Å; M136-G140 PolarHBondContact O-N 3.27Å; V137-G140 PolarHBondContact O-N 2.97Å; G140-G142 PolarHBondContact O-N 3.06Å; G140-G142 VanDerWaalsContact O-N 3.09Å; G140-K143 WeakPolarHBondContact O-CB 3.5Å; G140-K143 PolarHBondContact O-N 3.24Å
141	R	84.3	Confident	92.2	Very high	190 Å²	190	42.6 Å²	42.6	72%	0.717	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	40.4	178.4	-61.7	-177.3	176.1	175.2	-2.8	113.2	N44 D115 T139	N44-R141 PolarHBondContact ND2-O 3.47Å; D115-R141 IonicContact OD1-NH2 3.59Å; D115-R141 IonicContact OD2-NE 3.51Å; T139-R141 PolarHBondContact O-N 3.03Å
142	G	82.7	Confident	91.9	Very high	24 Å²	24	45.1 Å²	45.1	25%	0.247	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	2.7	177	0	0	0	0	0	115.2	N44 G140 Y144	N44-G142 WeakPolarHBondContact ND2-CA 3.46Å; N44-G142 PolarHBondContact ND2-N 3.28Å; N44-G142 WeakPolarHBondContact OD1-CA 3.42Å; G140-G142 PolarHBondContact O-N 3.06Å; G140-G142 VanDerWaalsContact O-N 3.09Å; G142-Y144 PolarHBondContact O-N 3.24Å
143	K	89.1	Confident	91.6	Very high	141 Å²	141	49.9 Å²	49.9	61%	0.613	26%	0.261	S	S	*	.	S	Bend	trans	-59.6	-32.6	171.3	-176.4	179.9	179.4	-166	0	112.6	G140	G140-K143 WeakPolarHBondContact O-CB 3.5Å; G140-K143 PolarHBondContact O-N 3.24Å
144	Y	89.4	Confident	91.4	Very high	31 Å²	31	52.7 Å²	52.7	12%	0.122	28%	0.275	C	S	.	.			trans	-132.5	142.8	178.8	-56.3	-70.9	0	0	0	108.8	M136 G142 I150 Q154	M136-Y144 HydrophobicContact CE-CE2 3.82Å; G142-Y144 PolarHBondContact O-N 3.24Å; Y144-I150 HydrophobicContact CD1-CD1 4.18Å; Y144-I150 HydrophobicContact CD1-CG1 3.6Å; Y144-I150 HydrophobicContact CD2-CD1 3.76Å; Y144-I150 HydrophobicContact CD2-CG1 4.03Å; Y144-I150 HydrophobicContact CE1-CG1 3.86Å; Y144-I150 HydrophobicContact CE2-CD1 4.25Å; Y144-I150 HydrophobicContact CE2-CG1 4.27Å; Y144-I150 HydrophobicContact CG-CD1 3.72Å; Y144-I150 HydrophobicContact CG-CG1 3.68Å; Y144-Q154 PolarHBondContact OH-OE1 3.14Å
145	S	88.8	Confident	91.3	Very high	58 Å²	58	52.8 Å²	52.8	41%	0.406	28%	0.276	S	S	.	.	S	Bend	trans	-113.7	-29	173.6	44.8	0	0	0	0	113.8	F46	F46-S145 WeakPolarHBondContact CZ-O 3.43Å
146	D	91.2	Very high	91	Very high	72 Å²	72	56.7 Å²	56.7	39%	0.385	29%	0.294	S	S	.	.			trans	-116.9	124	175.9	178.4	-1.8	0	0	0	109.6	M148 E149	D146-M148 PolarHBondContact O-N 3.3Å; D146-M148 WeakPolarHBondContact OD1-CB 3.48Å; D146-M148 PolarHBondContact OD1-N 3Å; D146-E149 HydrophobicContact CB-CG 3.97Å; D146-E149 WeakPolarHBondContact O-CB 3.5Å; D146-E149 PolarHBondContact O-N 2.04Å
147	P	93.6	Very high	90.8	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.019	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-53.3	-27.6	174.1	-25.1	32.8	0	0	0	114	R133 V134 V137 E149 I150 L299 P302	R133-P147 HydrophobicContact CB-CB 3.65Å; R133-P147 WeakPolarHBondContact CB-O 3.24Å; R133-P147 WeakPolarHBondContact CD-O 3.25Å; R133-P147 WeakPolarHBondContact CG-O 3.37Å; V134-P147 HydrophobicContact CG2-CB 4.35Å; V134-P147 HydrophobicContact CG2-CG 3.96Å; V137-P147 HydrophobicContact CG2-CB 4.37Å; V137-P147 HydrophobicContact CG2-CG 3.95Å; P147-E149 VanDerWaalsContact C-N 3.32Å; P147-I150 PolarHBondContact O-N 3.15Å; P147-L299 HydrophobicContact CG-CD1 3.65Å; P147-P302 HydrophobicContact CB-CG 3.56Å; P147-P302 HydrophobicContact CG-CG 4.12Å
148	M	93.1	Very high	90.3	Very high	88 Å²	88	64.5 Å²	64.5	43%	0.433	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-75	-18.5	-179.2	-70	-61.2	-71.9	0	0	114	D146 I150 P302	D146-M148 PolarHBondContact O-N 3.3Å; D146-M148 WeakPolarHBondContact OD1-CB 3.48Å; D146-M148 PolarHBondContact OD1-N 3Å; M148-I150 PolarHBondContact O-N 2.97Å; M148-P302 HydrophobicContact CG-CB 3.96Å; M148-P302 HydrophobicContact CG-CG 4.3Å; M148-P302 HydrophobicContact SD-CB 3.57Å; M148-P302 VanDerWaalsContact SD-CB 3.57Å; M148-P302 HydrophobicContact SD-CG 4.21Å
149	E	92.5	Very high	90.1	Very high	113 Å²	113	68.8 Å²	68.8	53%	0.528	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-68.1	-21.2	171.5	-68.4	170.2	163.5	0	0	112	D146 P147 P151	D146-E149 HydrophobicContact CB-CG 3.97Å; D146-E149 WeakPolarHBondContact O-CB 3.5Å; D146-E149 PolarHBondContact O-N 2.04Å; P147-E149 VanDerWaalsContact C-N 3.32Å; E149-P151 VanDerWaalsContact O-CD 3.25Å; E149-P151 WeakPolarHBondContact O-CD 3.47Å
150	I	93.1	Very high	90.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-85.3	115.3	-177.4	-58.1	168.1	0	0	0	109.4	R133 M136 V137 Y144 P147 M148 Q154 A155	R133-I150 HydrophobicContact CB-CB 4.49Å; R133-I150 HydrophobicContact CB-CD1 4.23Å; R133-I150 HydrophobicContact CG-CB 3.99Å; R133-I150 HydrophobicContact CG-CG2 4.09Å; R133-I150 VanDerWaalsContact CZ-O 3.3Å; R133-I150 PolarHBondContact NE-O 3.31Å; R133-I150 PolarHBondContact NH2-O 2.93Å; M136-I150 HydrophobicContact CB-CD1 3.71Å; M136-I150 HydrophobicContact CE-CD1 4.29Å; M136-I150 HydrophobicContact CE-CG2 3.82Å; M136-I150 HydrophobicContact SD-CD1 4.48Å; M136-I150 HydrophobicContact SD-CG2 3.96Å; V137-I150 HydrophobicContact CG2-CD1 4.08Å; Y144-I150 HydrophobicContact CD1-CD1 4.18Å; Y144-I150 HydrophobicContact CD1-CG1 3.6Å; Y144-I150 HydrophobicContact CD2-CD1 3.76Å; Y144-I150 HydrophobicContact CD2-CG1 4.03Å; Y144-I150 HydrophobicContact CE1-CG1 3.86Å; Y144-I150 HydrophobicContact CE2-CD1 4.25Å; Y144-I150 HydrophobicContact CE2-CG1 4.27Å; Y144-I150 HydrophobicContact CG-CD1 3.72Å; Y144-I150 HydrophobicContact CG-CG1 3.68Å; P147-I150 PolarHBondContact O-N 3.15Å; M148-I150 PolarHBondContact O-N 2.97Å; I150-Q154 HydrophobicContact CG2-CB 4.2Å; I150-A155 HydrophobicContact CG2-CB 4.34Å
151	P	93.1	Very high	90.5	Very high	54 Å²	54	69.2 Å²	69.2	35%	0.351	37%	0.371	S	S	.	.			trans	-60.9	146.6	176.8	-25.2	37.4	0	0	0	112.2	E149 N153 Q154 A155	E149-P151 VanDerWaalsContact O-CD 3.25Å; E149-P151 WeakPolarHBondContact O-CD 3.47Å; P151-N153 VanDerWaalsContact C-N 3.3Å; P151-N153 WeakPolarHBondContact CB-OD1 3.27Å; P151-N153 PolarHBondContact O-N 3.03Å; P151-Q154 HydrophobicContact CB-CG 4.23Å; P151-Q154 HydrophobicContact CG-CG 4.28Å; P151-Q154 WeakPolarHBondContact O-CB 3.41Å; P151-Q154 PolarHBondContact O-N 3.13Å; P151-A155 PolarHBondContact O-N 3.05Å; P151-A155 VanDerWaalsContact O-N 3.1Å
152	S	89.4	Confident	91.1	Very high	57 Å²	57	64.9 Å²	64.9	40%	0.399	36%	0.357	S	S	.	.	H	α-helix	trans	-56.7	-42	-176.8	177.8	0	0	0	0	112.7	T129 Q154 A155 H156	T129-S152 WeakPolarHBondContact CG2-OG 3.27Å; S152-Q154 VanDerWaalsContact C-N 3.32Å; S152-Q154 PolarHBondContact O-N 3.13Å; S152-A155 PolarHBondContact O-N 3.26Å; S152-H156 PolarHBondContact O-CD2 2.91Å; S152-H156 PolarHBondContact O-N 3.28Å
153	N	91.2	Very high	91.8	Very high	121 Å²	121	64.8 Å²	64.8	65%	0.647	35%	0.352	S	S	*	.	H	α-helix	trans	-62.1	-37.4	176.4	62.2	-36.8	0	0	0	112.4	P151 H156	P151-N153 VanDerWaalsContact C-N 3.3Å; P151-N153 WeakPolarHBondContact CB-OD1 3.27Å; P151-N153 PolarHBondContact O-N 3.03Å; N153-H156 PolarHBondContact O-N 3.02Å
154	Q	92.1	Very high	92.2	Very high	73 Å²	73	58 Å²	58	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-67.2	-38	175.9	-67.4	-168.1	12.9	0	0	112.1	Y144 I150 P151 S152 H156 V157 N160	Y144-Q154 PolarHBondContact OH-OE1 3.14Å; I150-Q154 HydrophobicContact CG2-CB 4.2Å; P151-Q154 HydrophobicContact CB-CG 4.23Å; P151-Q154 HydrophobicContact CG-CG 4.28Å; P151-Q154 WeakPolarHBondContact O-CB 3.41Å; P151-Q154 PolarHBondContact O-N 3.13Å; S152-Q154 VanDerWaalsContact C-N 3.32Å; S152-Q154 PolarHBondContact O-N 3.13Å; Q154-H156 PolarHBondContact O-N 2.66Å; Q154-H156 VanDerWaalsContact O-N 3.09Å; Q154-V157 PolarHBondContact O-N 2.75Å; Q154-V157 VanDerWaalsContact O-N 3.15Å; Q154-N160 PolarHBondContact O-ND2 3.41Å
155	A	92.6	Very high	92.6	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-14.6	175.8	0	0	0	0	0	113.5	T129 K132 R133 M136 I150 P151 S152	T129-A155 HydrophobicContact CG2-CB 4.11Å; K132-A155 HydrophobicContact CB-CB 4.24Å; K132-A155 WeakPolarHBondContact CD-O 3.34Å; R133-A155 HydrophobicContact CG-CB 3.87Å; M136-A155 HydrophobicContact SD-CB 4.44Å; I150-A155 HydrophobicContact CG2-CB 4.34Å; P151-A155 PolarHBondContact O-N 3.05Å; P151-A155 VanDerWaalsContact O-N 3.1Å; S152-A155 PolarHBondContact O-N 3.26Å
156	H	90.6	Very high	92.9	Very high	82 Å²	82	61.4 Å²	61.4	38%	0.38	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	2	178.9	-71.5	-66.8	0	0	0	114.1	T129 S152 N153 Q154 P158	T129-H156 PolarHBondContact OG1-NE2 3.14Å; S152-H156 PolarHBondContact O-CD2 2.91Å; S152-H156 PolarHBondContact O-N 3.28Å; N153-H156 PolarHBondContact O-N 3.02Å; Q154-H156 PolarHBondContact O-N 2.66Å; Q154-H156 VanDerWaalsContact O-N 3.09Å; H156-P158 WeakPolarHBondContact O-CD 3.1Å
157	V	92.1	Very high	93.2	Very high	60 Å²	60	58.9 Å²	58.9	36%	0.364	32%	0.32	S	S	.	.			trans	-74.2	121.5	176.1	177.6	0	0	0	0	109.6	Q154 S159 N160	Q154-V157 PolarHBondContact O-N 2.75Å; Q154-V157 VanDerWaalsContact O-N 3.15Å; V157-S159 VanDerWaalsContact C-N 3.25Å; V157-S159 VanDerWaalsContact CG1-OG 3.32Å; V157-S159 WeakPolarHBondContact CG1-OG 3.02Å; V157-S159 PolarHBondContact O-N 2.68Å; V157-S159 VanDerWaalsContact O-N 3.17Å; V157-N160 PolarHBondContact O-N 3.47Å; V157-N160 VanDerWaalsContact O-N 3.12Å
158	P	85.9	Confident	93.4	Very high	113 Å²	113	61.6 Å²	61.6	73%	0.734	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-59	-29.7	-175.2	-27.6	35.9	0	0	0	115.2	H156 N160	H156-P158 WeakPolarHBondContact O-CD 3.1Å; P158-N160 VanDerWaalsContact C-N 3.26Å; P158-N160 PolarHBondContact O-N 2.64Å
159	S	88.3	Confident	93.5	Very high	103 Å²	103	62.5 Å²	62.5	72%	0.72	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-75.6	-10.8	-179.4	59.5	0	0	0	0	114.3	V157	V157-S159 VanDerWaalsContact C-N 3.25Å; V157-S159 VanDerWaalsContact CG1-OG 3.32Å; V157-S159 WeakPolarHBondContact CG1-OG 3.02Å; V157-S159 PolarHBondContact O-N 2.68Å; V157-S159 VanDerWaalsContact O-N 3.17Å
160	N	92.2	Very high	93.7	Very high	54 Å²	54	60.7 Å²	60.7	29%	0.289	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-83.6	-18.2	-176.5	-74.5	-10	0	0	0	113.5	M136 Q154 V157 P158	M136-N160 HydrophobicContact CE-CB 3.96Å; M136-N160 HydrophobicContact SD-CB 4.08Å; Q154-N160 PolarHBondContact O-ND2 3.41Å; V157-N160 PolarHBondContact O-N 3.47Å; V157-N160 VanDerWaalsContact O-N 3.12Å; P158-N160 VanDerWaalsContact C-N 3.26Å; P158-N160 PolarHBondContact O-N 2.64Å
161	L	95.2	Very high	93.9	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.079	37%	0.367	C	S	.	.	S	Bend	trans	-139	123.2	-178	-73.2	173.2	0	0	0	109.1	V111 K132 M135 M136	V111-L161 HydrophobicContact CG1-CB 3.94Å; V111-L161 HydrophobicContact CG1-CD1 4.11Å; V111-L161 HydrophobicContact CG1-CD2 4Å; V111-L161 HydrophobicContact CG1-CG 4.25Å; V111-L161 HydrophobicContact CG2-CB 4.36Å; V111-L161 HydrophobicContact CG2-CD1 4.35Å; K132-L161 HydrophobicContact CB-CD1 3.72Å; K132-L161 HydrophobicContact CD-CD1 4.25Å; K132-L161 HydrophobicContact CG-CD1 3.72Å; M135-L161 HydrophobicContact CB-CD1 4.27Å; M135-L161 HydrophobicContact CB-CD2 3.74Å; M136-L161 HydrophobicContact CG-CD1 4.11Å; M136-L161 HydrophobicContact CG-CD2 3.71Å; M136-L161 HydrophobicContact CG-CG 3.79Å
162	K	96.5	Very high	94.1	Very high	99 Å²	99	62.2 Å²	62.2	43%	0.43	35%	0.351	S	S	.	.			trans	-74.7	134.3	177.8	-163.1	170	172.3	-166	0	109.8	V112 Q166 Y167	V112-K162 PolarHBondContact N-O 3.49Å; K162-Q166 VanDerWaalsContact CA-OE1 3.31Å; K162-Q166 HydrophobicContact CG-CB 4.35Å; K162-Y167 HydrophobicContact CD-CE1 4.23Å; K162-Y167 HydrophobicContact CD-CE2 3.83Å; K162-Y167 VanDerWaalsContact CD-OH 3.29Å; K162-Y167 WeakPolarHBondContact CD-OH 3.38Å; K162-Y167 VanDerWaalsContact CE-CE2 3.49Å; K162-Y167 HydrophobicContact CG-CE2 3.77Å
163	T	97.6	Very high	94.4	Very high	21 Å²	21	64 Å²	64	13%	0.129	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-110.1	153.4	178.6	51.4	0	0	0	0	111.4	L110 V111 N165 Q166 Y167	L110-T163 CarbonylContact O-C 3.43Å; L110-T163 WeakPolarHBondContact O-CA 3.36Å; L110-T163 WeakPolarHBondContact O-CB 3.27Å; V111-T163 HydrophobicContact CG2-CG2 4.07Å; T163-N165 VanDerWaalsContact CB-OD1 3.29Å; T163-N165 WeakPolarHBondContact CB-OD1 3.2Å; T163-N165 PolarHBondContact O-N 3.35Å; T163-N165 VanDerWaalsContact O-N 3.12Å; T163-N165 PolarHBondContact OG1-OD1 2.85Å; T163-Q166 WeakPolarHBondContact O-CB 3.38Å; T163-Q166 PolarHBondContact O-N 3.45Å; T163-Q166 PolarHBondContact OG1-OE1 3.35Å; T163-Y167 WeakPolarHBondContact O-CD2 3.35Å
164	L	97.6	Very high	94.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.9	-170.8	-168.9	65.1	0	0	0	112.9	L107 L110 V112 I119 Q166 Y167 I172 R175 L176	L107-L164 HydrophobicContact CB-CB 4.26Å; L107-L164 HydrophobicContact CB-CD2 4.5Å; L107-L164 HydrophobicContact CD1-CD2 4.23Å; L107-L164 HydrophobicContact CD1-CG 4.4Å; L107-L164 HydrophobicContact CD2-CD2 4.46Å; L110-L164 HydrophobicContact CB-CB 3.69Å; L110-L164 HydrophobicContact CB-CD2 4.25Å; L110-L164 HydrophobicContact CD1-CB 4.25Å; L110-L164 HydrophobicContact CD1-CD2 3.5Å; L110-L164 VanDerWaalsContact CD1-CD2 3.5Å; L110-L164 PolarHBondContact O-N 2.04Å; V112-L164 HydrophobicContact CG2-CB 3.91Å; V112-L164 HydrophobicContact CG2-CD1 3.85Å; V112-L164 HydrophobicContact CG2-CG 4.49Å; I119-L164 HydrophobicContact CD1-CD2 4.46Å; L164-Q166 PolarHBondContact O-N 3.22Å; L164-Q166 VanDerWaalsContact O-N 3.16Å; L164-Y167 HydrophobicContact CD1-CD2 4.45Å; L164-Y167 WeakPolarHBondContact O-CD2 3.3Å; L164-Y167 PolarHBondContact O-N 3.26Å; L164-I172 HydrophobicContact CD1-CG1 4.28Å; L164-I172 HydrophobicContact CD2-CG2 4.18Å; L164-I172 HydrophobicContact CG-CG1 4.13Å; L164-I172 HydrophobicContact CG-CG2 4.23Å; L164-I172 WeakPolarHBondContact O-CG1 3.49Å; L164-R175 HydrophobicContact CD1-CB 3.91Å; L164-L176 HydrophobicContact CD2-CD1 4.42Å; L164-L176 HydrophobicContact CD2-CD2 3.64Å; L164-L176 HydrophobicContact CD2-CG 3.9Å
165	N	97.1	Very high	94.9	Very high	53 Å²	53	60.3 Å²	60.3	28%	0.283	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-67.4	-9	175.6	74	-64.3	0	0	0	115	P104 L107 K108 T163 Y167	P104-N165 HydrophobicContact CB-CB 4.27Å; P104-N165 WeakPolarHBondContact O-CB 3.47Å; L107-N165 HydrophobicContact CB-CB 4.12Å; K108-N165 WeakPolarHBondContact CA-OD1 3.45Å; T163-N165 VanDerWaalsContact CB-OD1 3.29Å; T163-N165 WeakPolarHBondContact CB-OD1 3.2Å; T163-N165 PolarHBondContact O-N 3.35Å; T163-N165 VanDerWaalsContact O-N 3.12Å; T163-N165 PolarHBondContact OG1-OD1 2.85Å; N165-Y167 VanDerWaalsContact C-N 3.34Å
166	Q	97	Very high	95.1	Very high	106 Å²	106	62.2 Å²	62.2	50%	0.495	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-91.7	3.7	178.5	-58.3	178.4	-70.7	0	0	112.7	K162 T163 L164	K162-Q166 VanDerWaalsContact CA-OE1 3.31Å; K162-Q166 HydrophobicContact CG-CB 4.35Å; T163-Q166 WeakPolarHBondContact O-CB 3.38Å; T163-Q166 PolarHBondContact O-N 3.45Å; T163-Q166 PolarHBondContact OG1-OE1 3.35Å; L164-Q166 PolarHBondContact O-N 3.22Å; L164-Q166 VanDerWaalsContact O-N 3.16Å
167	Y	97.3	Very high	95.4	Very high	19 Å²	19	66.1 Å²	66.1	8%	0.075	36%	0.36	C	S	.	.	S	Bend	trans	-105	159.8	178.5	-65.6	-97	0	0	0	111.2	V112 E114 K162 T163 L164 N165 E171 I172 R175	V112-Y167 HydrophobicContact CB-CE2 4.11Å; V112-Y167 HydrophobicContact CG1-CE2 4.36Å; V112-Y167 HydrophobicContact CG2-CE2 3.92Å; E114-Y167 WeakPolarHBondContact OE1-CE1 3.25Å; E114-Y167 PolarHBondContact OE1-OH 2.93Å; K162-Y167 HydrophobicContact CD-CE1 4.23Å; K162-Y167 HydrophobicContact CD-CE2 3.83Å; K162-Y167 VanDerWaalsContact CD-OH 3.29Å; K162-Y167 WeakPolarHBondContact CD-OH 3.38Å; K162-Y167 VanDerWaalsContact CE-CE2 3.49Å; K162-Y167 HydrophobicContact CG-CE2 3.77Å; T163-Y167 WeakPolarHBondContact O-CD2 3.35Å; L164-Y167 HydrophobicContact CD1-CD2 4.45Å; L164-Y167 WeakPolarHBondContact O-CD2 3.3Å; L164-Y167 PolarHBondContact O-N 3.26Å; N165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-E171 HydrophobicContact CD1-CB 4.18Å; Y167-E171 HydrophobicContact CG-CB 4.44Å; Y167-I172 WeakPolarHBondContact O-CD1 3.49Å; Y167-R175 VanDerWaalsContact CD1-CZ 3.49Å; Y167-R175 VanDerWaalsContact CE1-NE 3.29Å; Y167-R175 VanDerWaalsContact CE1-NH2 3.29Å
168	S	97.1	Very high	95.6	Very high	61 Å²	61	65.9 Å²	65.9	43%	0.427	36%	0.356	S	S	.	.			trans	-65.2	160.1	170.7	68.1	0	0	0	0	111.4	A170 E171 I172	S168-A170 VanDerWaalsContact C-N 3.27Å; S168-A170 PolarHBondContact O-N 2.97Å; S168-E171 VanDerWaalsContact CB-OE2 3.31Å; S168-E171 WeakPolarHBondContact CB-OE2 3.16Å; S168-E171 PolarHBondContact N-OE2 3.44Å; S168-E171 WeakPolarHBondContact O-CB 3.46Å; S168-E171 PolarHBondContact O-N 2.85Å; S168-E171 VanDerWaalsContact O-N 3.12Å; S168-E171 WeakPolarHBondContact OG-CB 3.26Å; S168-E171 VanDerWaalsContact OG-CD 3.3Å; S168-E171 VanDerWaalsContact OG-CG 3.26Å; S168-E171 WeakPolarHBondContact OG-CG 3.23Å; S168-E171 PolarHBondContact OG-N 2.89Å; S168-E171 PolarHBondContact OG-OE2 3.03Å; S168-I172 VanDerWaalsContact O-CG1 3.29Å; S168-I172 WeakPolarHBondContact O-CG1 3.4Å; S168-I172 PolarHBondContact O-N 3.5Å
169	I	95.3	Very high	96.1	Very high	106 Å²	106	61 Å²	61	54%	0.544	32%	0.323	S	S	.	.	H	α-helix	trans	-58.1	-39.3	-179.2	-60.5	-60.1	0	0	0	112.2	P104 I172 N173	P104-I169 HydrophobicContact CG-CD1 4.38Å; I169-I172 HydrophobicContact CD1-CD1 4.28Å; I169-I172 PolarHBondContact O-N 2.97Å; I169-N173 PolarHBondContact O-N 3.32Å; I169-N173 PolarHBondContact O-ND2 3.47Å
170	A	96.6	Very high	96.6	Very high	75 Å²	75	56.1 Å²	56.1	62%	0.62	29%	0.289	S	S	*	.	H	α-helix	trans	-63.6	-43.8	177.5	0	0	0	0	0	111.6	S168 N173 H174	S168-A170 VanDerWaalsContact C-N 3.27Å; S168-A170 PolarHBondContact O-N 2.97Å; A170-N173 PolarHBondContact O-N 3.29Å; A170-H174 PolarHBondContact O-N 2.81Å
171	E	97.5	Very high	96.9	Very high	81 Å²	81	53.9 Å²	53.9	38%	0.379	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-37	176.8	-78.3	173.6	130.6	0	0	113.1	Y167 S168 R175	Y167-E171 HydrophobicContact CD1-CB 4.18Å; Y167-E171 HydrophobicContact CG-CB 4.44Å; S168-E171 VanDerWaalsContact CB-OE2 3.31Å; S168-E171 WeakPolarHBondContact CB-OE2 3.16Å; S168-E171 PolarHBondContact N-OE2 3.44Å; S168-E171 WeakPolarHBondContact O-CB 3.46Å; S168-E171 PolarHBondContact O-N 2.85Å; S168-E171 VanDerWaalsContact O-N 3.12Å; S168-E171 WeakPolarHBondContact OG-CB 3.26Å; S168-E171 VanDerWaalsContact OG-CD 3.3Å; S168-E171 VanDerWaalsContact OG-CG 3.26Å; S168-E171 WeakPolarHBondContact OG-CG 3.23Å; S168-E171 PolarHBondContact OG-N 2.89Å; S168-E171 PolarHBondContact OG-OE2 3.03Å; E171-R175 WeakPolarHBondContact O-CG 3.5Å; E171-R175 PolarHBondContact O-N 3.32Å; E171-R175 VanDerWaalsContact O-N 3.11Å; E171-R175 PolarHBondContact O-NH1 3.1Å
172	I	97.4	Very high	97.1	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-51.5	173.6	-71.7	168.3	0	0	0	109.7	L107 L164 Y167 S168 I169 H174 R175 L176	L107-I172 HydrophobicContact CD1-CD1 3.95Å; L107-I172 HydrophobicContact CD1-CG1 4.42Å; L107-I172 HydrophobicContact CD1-CG2 3.63Å; L164-I172 HydrophobicContact CD1-CG1 4.28Å; L164-I172 HydrophobicContact CD2-CG2 4.18Å; L164-I172 HydrophobicContact CG-CG1 4.13Å; L164-I172 HydrophobicContact CG-CG2 4.23Å; L164-I172 WeakPolarHBondContact O-CG1 3.49Å; Y167-I172 WeakPolarHBondContact O-CD1 3.49Å; S168-I172 VanDerWaalsContact O-CG1 3.29Å; S168-I172 WeakPolarHBondContact O-CG1 3.4Å; S168-I172 PolarHBondContact O-N 3.5Å; I169-I172 HydrophobicContact CD1-CD1 4.28Å; I169-I172 PolarHBondContact O-N 2.97Å; I172-H174 VanDerWaalsContact C-N 3.32Å; I172-H174 PolarHBondContact O-N 3.23Å; I172-R175 PolarHBondContact O-N 3.16Å; I172-L176 HydrophobicContact CG2-CD1 3.77Å; I172-L176 HydrophobicContact CG2-CG 4.29Å; I172-L176 WeakPolarHBondContact O-CG 3.14Å; I172-L176 PolarHBondContact O-N 3.16Å
173	N	95.3	Very high	97.2	Very high	95 Å²	95	48.5 Å²	48.5	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-39.6	-179	-72.4	-31.3	0	0	0	112.1	I169 A170 K177	I169-N173 PolarHBondContact O-N 3.32Å; I169-N173 PolarHBondContact O-ND2 3.47Å; A170-N173 PolarHBondContact O-N 3.29Å; N173-K177 WeakPolarHBondContact O-CB 3.43Å; N173-K177 PolarHBondContact O-N 3.21Å; N173-K177 VanDerWaalsContact O-N 3.13Å
174	H	97	Very high	97.2	Very high	93 Å²	93	47.5 Å²	47.5	43%	0.431	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-50.3	174.3	176.8	90.8	0	0	0	111.6	A170 I172 K177 N178	A170-H174 PolarHBondContact O-N 2.81Å; I172-H174 VanDerWaalsContact C-N 3.32Å; I172-H174 PolarHBondContact O-N 3.23Å; H174-K177 PolarHBondContact O-N 3.12Å; H174-N178 PolarHBondContact CE1-ND2 3.49Å; H174-N178 PolarHBondContact ND1-ND2 3.3Å; H174-N178 VanDerWaalsContact ND1-ND2 3.17Å; H174-N178 PolarHBondContact NE2-ND2 2.93Å; H174-N178 WeakPolarHBondContact O-CB 3.45Å; H174-N178 PolarHBondContact O-N 3.39Å; H174-N178 PolarHBondContact O-ND2 3.07Å; H174-N178 VanDerWaalsContact O-ND2 3.08Å
175	R	97.8	Very high	97.2	Very high	22 Å²	22	47.6 Å²	47.6	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-67.6	-44.4	-177.8	-71.5	168.9	178.1	67.1	4.8	112.1	E114 I119 L164 Y167 E171 I172 K177 N178 Y179	E114-R175 IonicContact OE1-CZ 3.22Å; E114-R175 VanDerWaalsContact OE1-CZ 3.22Å; E114-R175 IonicContact OE1-NE 2.7Å; E114-R175 PolarHBondContact OE1-NE 3.26Å; E114-R175 IonicContact OE1-NH2 2.93Å; E114-R175 PolarHBondContact OE1-NH2 2.93Å; E114-R175 IonicContact OE2-CZ 3.51Å; E114-R175 IonicContact OE2-NE 3.6Å; E114-R175 IonicContact OE2-NH2 2.71Å; E114-R175 PolarHBondContact OE2-NH2 2.8Å; I119-R175 HydrophobicContact CD1-CB 4.05Å; L164-R175 HydrophobicContact CD1-CB 3.91Å; Y167-R175 VanDerWaalsContact CD1-CZ 3.49Å; Y167-R175 VanDerWaalsContact CE1-NE 3.29Å; Y167-R175 VanDerWaalsContact CE1-NH2 3.29Å; E171-R175 WeakPolarHBondContact O-CG 3.5Å; E171-R175 PolarHBondContact O-N 3.32Å; E171-R175 VanDerWaalsContact O-N 3.11Å; E171-R175 PolarHBondContact O-NH1 3.1Å; I172-R175 PolarHBondContact O-N 3.16Å; R175-K177 PolarHBondContact O-N 3.32Å; R175-N178 PolarHBondContact O-N 3.07Å; R175-Y179 HydrophobicContact CB-CD1 4.43Å; R175-Y179 HydrophobicContact CB-CD2 4.17Å; R175-Y179 HydrophobicContact CB-CE2 4.4Å; R175-Y179 HydrophobicContact CB-CG 4.19Å; R175-Y179 HydrophobicContact CG-CD1 4.31Å; R175-Y179 HydrophobicContact CG-CD2 4.04Å; R175-Y179 HydrophobicContact CG-CE1 4.07Å; R175-Y179 HydrophobicContact CG-CE2 3.77Å; R175-Y179 HydrophobicContact CG-CG 4.32Å; R175-Y179 VanDerWaalsContact O-CB 3.28Å; R175-Y179 WeakPolarHBondContact O-CB 3.04Å; R175-Y179 PolarHBondContact O-N 3.42Å
176	L	96.6	Very high	97.3	Very high	42 Å²	42	45.3 Å²	45.3	22%	0.22	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-32.4	176.1	-72.5	176.1	0	0	0	112.5	I119 L164 I172 K181 I271	I119-L176 HydrophobicContact CD1-CD2 4.44Å; L164-L176 HydrophobicContact CD2-CD1 4.42Å; L164-L176 HydrophobicContact CD2-CD2 3.64Å; L164-L176 HydrophobicContact CD2-CG 3.9Å; I172-L176 HydrophobicContact CG2-CD1 3.77Å; I172-L176 HydrophobicContact CG2-CG 4.29Å; I172-L176 WeakPolarHBondContact O-CG 3.14Å; I172-L176 PolarHBondContact O-N 3.16Å; L176-K181 HydrophobicContact CD2-CD 4.42Å; L176-K181 WeakPolarHBondContact O-CE 3.42Å; L176-K181 PolarHBondContact O-NZ 3.35Å; L176-I271 HydrophobicContact CD2-CG1 4.32Å; L176-I271 HydrophobicContact CD2-CG2 4.13Å
177	K	95.9	Very high	97.3	Very high	164 Å²	164	41 Å²	41	71%	0.713	21%	0.214	S	C	*	.	H	α-helix	trans	-78.5	-42.3	178	-173.4	179.3	177.3	-179.1	0	113	N173 H174 R175	N173-K177 WeakPolarHBondContact O-CB 3.43Å; N173-K177 PolarHBondContact O-N 3.21Å; N173-K177 VanDerWaalsContact O-N 3.13Å; H174-K177 PolarHBondContact O-N 3.12Å; R175-K177 PolarHBondContact O-N 3.32Å
178	N	96.1	Very high	97.4	Very high	55 Å²	55	40.2 Å²	40.2	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-107.1	-21.8	-163.2	-59.8	-38.9	0	0	0	114.6	L60 H174 R175	L60-N178 WeakPolarHBondContact CD2-O 3.25Å; H174-N178 PolarHBondContact CE1-ND2 3.49Å; H174-N178 PolarHBondContact ND1-ND2 3.3Å; H174-N178 VanDerWaalsContact ND1-ND2 3.17Å; H174-N178 PolarHBondContact NE2-ND2 2.93Å; H174-N178 WeakPolarHBondContact O-CB 3.45Å; H174-N178 PolarHBondContact O-N 3.39Å; H174-N178 PolarHBondContact O-ND2 3.07Å; H174-N178 VanDerWaalsContact O-ND2 3.08Å; R175-N178 PolarHBondContact O-N 3.07Å
179	Y	97.6	Very high	97.4	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.043	19%	0.191	C	C	.	.	S	Bend	trans	-89.6	150.3	-172.6	-74.9	21.6	0	0	0	110.9	V112 E114 E117 I119 R175 K181	V112-Y179 HydrophobicContact CG1-CD2 4.18Å; V112-Y179 HydrophobicContact CG1-CE2 3.79Å; E114-Y179 PolarHBondContact OE2-OH 3.1Å; E117-Y179 VanDerWaalsContact C-CD2 3.43Å; E117-Y179 HydrophobicContact CB-CD1 3.7Å; E117-Y179 HydrophobicContact CB-CD2 4.31Å; E117-Y179 HydrophobicContact CB-CE1 3.82Å; E117-Y179 HydrophobicContact CB-CE2 4.42Å; E117-Y179 HydrophobicContact CB-CG 3.96Å; E117-Y179 HydrophobicContact CG-CD1 4.17Å; E117-Y179 HydrophobicContact CG-CE1 3.81Å; E117-Y179 CarbonylContact O-C 3.35Å; E117-Y179 WeakPolarHBondContact O-CA 3Å; E117-Y179 WeakPolarHBondContact O-CB 3.44Å; I119-Y179 HydrophobicContact CD1-CD2 4.44Å; I119-Y179 HydrophobicContact CG1-CD2 3.96Å; I119-Y179 HydrophobicContact CG1-CG 4.36Å; R175-Y179 HydrophobicContact CB-CD1 4.43Å; R175-Y179 HydrophobicContact CB-CD2 4.17Å; R175-Y179 HydrophobicContact CB-CE2 4.4Å; R175-Y179 HydrophobicContact CB-CG 4.19Å; R175-Y179 HydrophobicContact CG-CD1 4.31Å; R175-Y179 HydrophobicContact CG-CD2 4.04Å; R175-Y179 HydrophobicContact CG-CE1 4.07Å; R175-Y179 HydrophobicContact CG-CE2 3.77Å; R175-Y179 HydrophobicContact CG-CG 4.32Å; R175-Y179 VanDerWaalsContact O-CB 3.28Å; R175-Y179 WeakPolarHBondContact O-CB 3.04Å; R175-Y179 PolarHBondContact O-N 3.42Å; Y179-K181 PolarHBondContact O-N 2.98Å; Y179-K181 PolarHBondContact O-NZ 2.88Å
180	F	97.9	Very high	97.5	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.1	171.4	176.3	-90.6	0	0	0	110.6	A59 L60 L63 E117 L118 I119 F182 D274 M275 I289 L292	A59-F180 HydrophobicContact CB-CB 3.87Å; A59-F180 HydrophobicContact CB-CD1 4.38Å; A59-F180 HydrophobicContact CB-CD2 4.18Å; A59-F180 HydrophobicContact CB-CG 3.91Å; L60-F180 HydrophobicContact CB-CB 4.32Å; L60-F180 HydrophobicContact CD1-CD2 4.34Å; L63-F180 HydrophobicContact CB-CE2 4.42Å; L63-F180 HydrophobicContact CD2-CE2 4Å; E117-F180 PolarHBondContact O-N 3.32Å; L118-F180 CarbonylContact C-O 3.56Å; L118-F180 WeakPolarHBondContact CA-O 3.23Å; L118-F180 HydrophobicContact CD2-CB 3.9Å; L118-F180 HydrophobicContact CD2-CD1 3.97Å; L118-F180 HydrophobicContact CD2-CG 4.34Å; I119-F180 PolarHBondContact N-O 2.83Å; F180-F182 AromaticContact CD1-CD1 3.87Å; F180-F182 HydrophobicContact CD1-CD1 3.87Å; F180-F182 HydrophobicContact CE1-CB 3.88Å; F180-F182 AromaticContact CE1-CD1 3.69Å; F180-F182 HydrophobicContact CE1-CD1 3.69Å; F180-F182 HydrophobicContact CE1-CG 4.09Å; F180-F182 HydrophobicContact CZ-CB 4.5Å; F180-D274 WeakPolarHBondContact CA-OD2 3.28Å; F180-D274 HydrophobicContact CD2-CB 3.72Å; F180-D274 HydrophobicContact CE2-CB 3.79Å; F180-D274 HydrophobicContact CG-CB 4.45Å; F180-M275 HydrophobicContact CE1-CB 4.46Å; F180-M275 HydrophobicContact CE2-CB 4.42Å; F180-M275 HydrophobicContact CZ-CB 3.72Å; F180-M275 HydrophobicContact CZ-SD 4.38Å; F180-I289 HydrophobicContact CE1-CG1 4.4Å; F180-I289 HydrophobicContact CE1-CG2 4.24Å; F180-L292 HydrophobicContact CE2-CD1 4Å; F180-L292 HydrophobicContact CZ-CD1 3.99Å
181	K	98.6	Very high	97.6	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.5	-171.8	-69	160.3	-57.5	-51.3	0	110	I119 L176 Y179 I271 H272 Y273 D274 M275	I119-K181 HydrophobicContact CB-CG 3.86Å; I119-K181 HydrophobicContact CD1-CD 4.37Å; I119-K181 HydrophobicContact CD1-CG 3.95Å; I119-K181 HydrophobicContact CG1-CG 4.28Å; I119-K181 HydrophobicContact CG2-CG 4.47Å; I119-K181 CarbonylContact O-C 3.57Å; I119-K181 WeakPolarHBondContact O-CA 3.32Å; L176-K181 HydrophobicContact CD2-CD 4.42Å; L176-K181 WeakPolarHBondContact O-CE 3.42Å; L176-K181 PolarHBondContact O-NZ 3.35Å; Y179-K181 PolarHBondContact O-N 2.98Å; Y179-K181 PolarHBondContact O-NZ 2.88Å; K181-I271 HydrophobicContact CD-CG2 4.22Å; K181-H272 WeakPolarHBondContact CD-O 3.46Å; K181-H272 WeakPolarHBondContact CE-O 3.29Å; K181-Y273 HydrophobicContact CB-CD1 4.05Å; K181-Y273 CarbonylContact O-C 3.5Å; K181-D274 WeakPolarHBondContact CB-OD2 3.49Å; K181-D274 PolarHBondContact N-OD2 2.91Å; K181-D274 IonicContact NZ-OD1 2.88Å; K181-D274 IonicContact NZ-OD2 3.67Å; K181-D274 PolarHBondContact NZ-OD2 3.17Å; K181-D274 WeakPolarHBondContact O-CA 3.47Å; K181-D274 PolarHBondContact O-N 3.45Å; K181-M275 PolarHBondContact O-N 3.12Å; K181-M275 VanDerWaalsContact O-N 3.14Å
182	F	98.6	Very high	97.6	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.7	177.1	69.7	-82.7	0	0	0	113.1	I119 Y120 C121 W131 M135 F180 F184 M275 I289	I119-F182 PolarHBondContact O-N 3.4Å; Y120-F182 AromaticContact CD2-CD2 3.75Å; Y120-F182 HydrophobicContact CD2-CD2 3.75Å; Y120-F182 AromaticContact CD2-CE2 3.31Å; Y120-F182 HydrophobicContact CD2-CE2 3.31Å; Y120-F182 AromaticContact CD2-CZ 3.83Å; Y120-F182 HydrophobicContact CD2-CZ 3.83Å; Y120-F182 HydrophobicContact CE2-CD2 4.43Å; Y120-F182 HydrophobicContact CE2-CE2 4.04Å; Y120-F182 AromaticContact CG-CE2 3.9Å; Y120-F182 HydrophobicContact CG-CE2 3.9Å; Y120-F182 AromaticContact CG-CZ 3.93Å; Y120-F182 HydrophobicContact CG-CZ 3.93Å; C121-F182 PolarHBondContact N-O 3.05Å; W131-F182 AromaticContact CD2-CE2 3.94Å; W131-F182 HydrophobicContact CD2-CE2 3.94Å; W131-F182 AromaticContact CE3-CE2 3.63Å; W131-F182 HydrophobicContact CE3-CE2 3.63Å; W131-F182 AromaticContact CE3-CZ 3.79Å; W131-F182 HydrophobicContact CE3-CZ 3.79Å; W131-F182 AromaticContact CH2-CE2 3.82Å; W131-F182 HydrophobicContact CH2-CE2 3.82Å; W131-F182 HydrophobicContact CH2-CZ 4.25Å; W131-F182 HydrophobicContact CZ2-CE2 4.12Å; W131-F182 AromaticContact CZ3-CE2 3.55Å; W131-F182 HydrophobicContact CZ3-CE2 3.55Å; W131-F182 AromaticContact CZ3-CZ 3.62Å; W131-F182 HydrophobicContact CZ3-CZ 3.62Å; M135-F182 HydrophobicContact SD-CZ 4.36Å; F180-F182 AromaticContact CD1-CD1 3.87Å; F180-F182 HydrophobicContact CD1-CD1 3.87Å; F180-F182 HydrophobicContact CE1-CB 3.88Å; F180-F182 AromaticContact CE1-CD1 3.69Å; F180-F182 HydrophobicContact CE1-CD1 3.69Å; F180-F182 HydrophobicContact CE1-CG 4.09Å; F180-F182 HydrophobicContact CZ-CB 4.5Å; F182-F184 HydrophobicContact CD2-CD2 4.16Å; F182-F184 AromaticContact CD2-CE2 3.91Å; F182-F184 HydrophobicContact CD2-CE2 3.91Å; F182-F184 HydrophobicContact CE2-CD2 4.48Å; F182-F184 HydrophobicContact CE2-CE2 4.2Å; F182-M275 VanDerWaalsContact CA-O 3.27Å; F182-M275 WeakPolarHBondContact CA-O 3.46Å; F182-M275 HydrophobicContact CB-CB 4.02Å; F182-I289 HydrophobicContact CB-CD1 4.18Å; F182-I289 HydrophobicContact CD2-CD1 3.52Å; F182-I289 HydrophobicContact CE1-CG2 4.38Å; F182-I289 HydrophobicContact CE2-CD1 3.96Å; F182-I289 HydrophobicContact CG-CD1 3.86Å; F182-I289 HydrophobicContact CZ-CG2 4.43Å
183	L	98.6	Very high	97.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.8	169.2	74.7	140	0	0	0	110.7	C121 V185 V262 C266 Y273 M275 V276 G277 F341	C121-L183 HydrophobicContact CB-CB 3.98Å; L183-V185 HydrophobicContact CD1-CG1 3.46Å; L183-V185 VanDerWaalsContact CD1-CG1 3.46Å; L183-V185 HydrophobicContact CG-CG1 4.36Å; L183-V262 HydrophobicContact CD1-CG1 3.57Å; L183-C266 HydrophobicContact CD1-CB 4.42Å; L183-Y273 HydrophobicContact CB-CD1 4.3Å; L183-Y273 HydrophobicContact CB-CE1 4.18Å; L183-Y273 HydrophobicContact CD2-CD1 3.34Å; L183-Y273 HydrophobicContact CD2-CD2 3.55Å; L183-Y273 HydrophobicContact CD2-CE1 3.75Å; L183-Y273 HydrophobicContact CD2-CE2 3.93Å; L183-Y273 HydrophobicContact CD2-CG 3.23Å; L183-Y273 HydrophobicContact CG-CD1 4.43Å; L183-M275 PolarHBondContact N-O 3.46Å; L183-M275 VanDerWaalsContact N-O 3.15Å; L183-V276 HydrophobicContact CD2-CG2 4.17Å; L183-G277 PolarHBondContact O-N 2.98Å; L183-F341 HydrophobicContact CD1-CE1 4.21Å; L183-F341 HydrophobicContact CD1-CZ 4.14Å
184	F	98.5	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.3	169.1	-81	-107	0	0	0	110	V126 W131 F182 G277 L282 D285 A286 I289	V126-F184 HydrophobicContact CG1-CB 3.63Å; W131-F184 HydrophobicContact CD2-CE2 4.45Å; W131-F184 AromaticContact CE2-CD2 3.69Å; W131-F184 AromaticContact CE2-CE2 3.33Å; W131-F184 AromaticContact CE2-CZ 3.81Å; W131-F184 HydrophobicContact CH2-CE2 4.07Å; W131-F184 HydrophobicContact CH2-CZ 4.4Å; W131-F184 AromaticContact CZ2-CD2 3.97Å; W131-F184 HydrophobicContact CZ2-CD2 3.97Å; W131-F184 HydrophobicContact CZ2-CE1 4.31Å; W131-F184 AromaticContact CZ2-CE2 3.11Å; W131-F184 HydrophobicContact CZ2-CE2 3.11Å; W131-F184 AromaticContact CZ2-CZ 3.34Å; W131-F184 HydrophobicContact CZ2-CZ 3.34Å; W131-F184 AromaticContact NE1-CD2 3.29Å; W131-F184 VanDerWaalsContact NE1-CD2 3.29Å; W131-F184 AromaticContact NE1-CE2 3.37Å; W131-F184 AromaticContact NE1-CG 3.66Å; W131-F184 AromaticContact NE1-CZ 3.78Å; F182-F184 HydrophobicContact CD2-CD2 4.16Å; F182-F184 AromaticContact CD2-CE2 3.91Å; F182-F184 HydrophobicContact CD2-CE2 3.91Å; F182-F184 HydrophobicContact CE2-CD2 4.48Å; F182-F184 HydrophobicContact CE2-CE2 4.2Å; F184-G277 CarbonylContact C-O 3.3Å; F184-G277 WeakPolarHBondContact CA-O 3.45Å; F184-L282 HydrophobicContact CD1-CD1 3.53Å; F184-L282 HydrophobicContact CE1-CD1 3.63Å; F184-L282 HydrophobicContact CG-CD1 4.39Å; F184-D285 HydrophobicContact CE1-CB 3.63Å; F184-D285 HydrophobicContact CZ-CB 3.79Å; F184-A286 HydrophobicContact CZ-CB 4.38Å; F184-I289 HydrophobicContact CE2-CD1 3.52Å; F184-I289 HydrophobicContact CZ-CD1 3.85Å
185	V	98.4	Very high	97.8	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	165.6	176.7	-57.9	0	0	0	0	111.5	V126 L183 V262 V276 G277 K278 Y279 F341 Y343	V126-V185 WeakPolarHBondContact CG1-O 3.5Å; L183-V185 HydrophobicContact CD1-CG1 3.46Å; L183-V185 VanDerWaalsContact CD1-CG1 3.46Å; L183-V185 HydrophobicContact CG-CG1 4.36Å; V185-V262 HydrophobicContact CG1-CG1 3.88Å; V185-V262 HydrophobicContact CG1-CG2 4.37Å; V185-V276 HydrophobicContact CG1-CG1 4.44Å; V185-V276 HydrophobicContact CG2-CG1 4.11Å; V185-G277 WeakPolarHBondContact CG2-O 3.37Å; V185-G277 PolarHBondContact N-O 3.09Å; V185-K278 HydrophobicContact CG2-CG 4.03Å; V185-K278 CarbonylContact O-C 3.51Å; V185-K278 WeakPolarHBondContact O-CA 3.05Å; V185-Y279 WeakPolarHBondContact O-CB 3.42Å; V185-Y279 PolarHBondContact O-N 3.42Å; V185-F341 HydrophobicContact CB-CB 4.48Å; V185-F341 HydrophobicContact CB-CD1 4.25Å; V185-F341 HydrophobicContact CB-CD2 4.22Å; V185-F341 HydrophobicContact CB-CG 4.03Å; V185-F341 HydrophobicContact CG1-CD1 3.68Å; V185-F341 HydrophobicContact CG1-CD2 3.89Å; V185-F341 HydrophobicContact CG1-CE1 3.6Å; V185-F341 HydrophobicContact CG1-CE2 3.86Å; V185-F341 HydrophobicContact CG1-CG 3.83Å; V185-F341 HydrophobicContact CG1-CZ 3.7Å; V185-F341 HydrophobicContact CG2-CB 3.87Å; V185-F341 HydrophobicContact CG2-CD1 3.89Å; V185-F341 HydrophobicContact CG2-CD2 4.46Å; V185-F341 HydrophobicContact CG2-CG 3.79Å; V185-Y343 HydrophobicContact CG2-CE2 4.02Å
186	R	97.6	Very high	97.7	Very high	6 Å²	6	17.3 Å²	17.3	2%	0.023	8%	0.082	C	C	.	.			trans	-142.7	154.2	178.7	-177.2	173.9	-177	163.6	10	108.1	K125 V126 E190 R191 Y279 T310 Y343	K125-R186 PolarHBondContact O-NH1 3.44Å; V126-R186 HydrophobicContact CG1-CB 4.15Å; V126-R186 HydrophobicContact CG2-CB 3.82Å; R186-E190 HydrophobicContact CG-CB 4.44Å; R186-E190 IonicContact CZ-OE2 3.72Å; R186-E190 IonicContact NE-OE2 3.56Å; R186-E190 PolarHBondContact NE-OE2 3.46Å; R186-E190 IonicContact NH2-OE2 3.24Å; R186-E190 PolarHBondContact NH2-OE2 2.77Å; R186-R191 HydrophobicContact CB-CB 4.3Å; R186-R191 HydrophobicContact CG-CB 4.39Å; R186-Y279 HydrophobicContact CB-CG 4.39Å; R186-Y279 HydrophobicContact CG-CD1 4.03Å; R186-Y279 HydrophobicContact CG-CG 4.13Å; R186-T310 PolarHBondContact NH2-O 2.59Å; R186-Y343 VanDerWaalsContact C-OH 3.25Å; R186-Y343 WeakPolarHBondContact CA-OH 3.45Å; R186-Y343 PolarHBondContact N-OH 3.09Å
187	E	98	Very high	97.7	Very high	15 Å²	15	19.1 Å²	19.1	7%	0.07	9%	0.086	C	C	.	.			trans	-45.3	124.1	169	-162.2	-70.3	136.1	0	0	109.9	F189 E190 R191 E280 F338 Y343	E187-F189 VanDerWaalsContact C-N 3.31Å; E187-F189 PolarHBondContact O-N 3.02Å; E187-F189 PolarHBondContact OE1-N 2.99Å; E187-F189 WeakPolarHBondContact OE2-CA 3.4Å; E187-F189 PolarHBondContact OE2-N 2.88Å; E187-E190 HydrophobicContact CB-CB 4.29Å; E187-E190 HydrophobicContact CB-CG 4.17Å; E187-E190 PolarHBondContact O-N 3.16Å; E187-E190 PolarHBondContact OE2-N 3.31Å; E187-R191 PolarHBondContact O-N 3.39Å; E187-E280 PolarHBondContact N-OE1 2.98Å; E187-F338 WeakPolarHBondContact OE1-CE1 3.17Å; E187-F338 WeakPolarHBondContact OE1-CZ 3.25Å; E187-Y343 HydrophobicContact CB-CD1 3.92Å; E187-Y343 HydrophobicContact CB-CE1 3.9Å; E187-Y343 HydrophobicContact CG-CD1 4.01Å; E187-Y343 HydrophobicContact CG-CE1 4.49Å; E187-Y343 HydrophobicContact CG-CG 4.46Å; E187-Y343 PolarHBondContact N-OH 3.32Å
188	P	98.3	Very high	97.6	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.013	6%	0.063	C	C	.	.	H	α-helix	trans	-57.6	-37	-166.8	-30.8	37.2	0	0	0	115	R191 L192 Y334 D337 F338	P188-R191 WeakPolarHBondContact O-CB 3.19Å; P188-L192 WeakPolarHBondContact O-CB 3.19Å; P188-L192 PolarHBondContact O-N 3.46Å; P188-Y334 HydrophobicContact CB-CD1 4.23Å; P188-Y334 HydrophobicContact CB-CG 4.3Å; P188-D337 HydrophobicContact CG-CB 3.82Å; P188-F338 HydrophobicContact CB-CD2 4.14Å; P188-F338 HydrophobicContact CB-CE2 3.65Å; P188-F338 HydrophobicContact CB-CZ 3.91Å; P188-F338 HydrophobicContact CG-CD1 4.17Å; P188-F338 HydrophobicContact CG-CD2 3.75Å; P188-F338 HydrophobicContact CG-CE1 4.1Å; P188-F338 HydrophobicContact CG-CE2 3.69Å; P188-F338 HydrophobicContact CG-CG 3.99Å; P188-F338 HydrophobicContact CG-CZ 3.87Å
189	F	98.2	Very high	97.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-84.4	-32.5	-176.1	-71.3	-3.5	0	0	0	112.8	E187 R191 L192 V193 T315 F319 L330 Y334 F338 P346 L349	E187-F189 VanDerWaalsContact C-N 3.31Å; E187-F189 PolarHBondContact O-N 3.02Å; E187-F189 PolarHBondContact OE1-N 2.99Å; E187-F189 WeakPolarHBondContact OE2-CA 3.4Å; E187-F189 PolarHBondContact OE2-N 2.88Å; F189-R191 VanDerWaalsContact C-N 3.3Å; F189-R191 PolarHBondContact O-N 2.98Å; F189-L192 PolarHBondContact O-N 3.04Å; F189-V193 WeakPolarHBondContact O-CG2 3.41Å; F189-V193 PolarHBondContact O-N 3.42Å; F189-T315 HydrophobicContact CB-CG2 3.93Å; F189-F319 HydrophobicContact CB-CE2 4.07Å; F189-F319 HydrophobicContact CB-CZ 4.03Å; F189-F319 HydrophobicContact CD1-CZ 4.26Å; F189-F319 AromaticContact CD2-CE1 3.75Å; F189-F319 HydrophobicContact CD2-CE1 3.75Å; F189-F319 HydrophobicContact CD2-CE2 4.12Å; F189-F319 AromaticContact CD2-CZ 3.43Å; F189-F319 HydrophobicContact CD2-CZ 3.43Å; F189-F319 VanDerWaalsContact CD2-CZ 3.43Å; F189-F319 AromaticContact CE2-CE1 3.73Å; F189-F319 HydrophobicContact CE2-CE1 3.73Å; F189-F319 AromaticContact CE2-CZ 3.81Å; F189-F319 HydrophobicContact CE2-CZ 3.81Å; F189-F319 HydrophobicContact CG-CE1 4.41Å; F189-F319 HydrophobicContact CG-CE2 4.21Å; F189-F319 AromaticContact CG-CZ 3.66Å; F189-F319 HydrophobicContact CG-CZ 3.66Å; F189-F319 HydrophobicContact CZ-CE1 4.41Å; F189-F319 HydrophobicContact CZ-CZ 4.4Å; F189-L330 HydrophobicContact CD1-CD2 4.44Å; F189-L330 HydrophobicContact CE1-CD2 3.87Å; F189-L330 HydrophobicContact CE1-CG 3.83Å; F189-L330 HydrophobicContact CE2-CD2 4.44Å; F189-L330 HydrophobicContact CZ-CB 4.33Å; F189-L330 HydrophobicContact CZ-CD2 3.87Å; F189-L330 HydrophobicContact CZ-CG 3.93Å; F189-Y334 HydrophobicContact CD1-CD2 4.48Å; F189-Y334 AromaticContact CE1-CD2 3.86Å; F189-Y334 HydrophobicContact CE1-CD2 3.86Å; F189-Y334 HydrophobicContact CE1-CG 4.3Å; F189-F338 HydrophobicContact CD1-CE2 4.18Å; F189-F338 HydrophobicContact CD1-CZ 4.25Å; F189-F338 HydrophobicContact CD2-CZ 4.29Å; F189-F338 AromaticContact CE1-CE2 3.95Å; F189-F338 HydrophobicContact CE1-CE2 3.95Å; F189-F338 HydrophobicContact CE1-CZ 4.38Å; F189-F338 HydrophobicContact CE2-CZ 4.45Å; F189-F338 HydrophobicContact CG-CZ 4.21Å; F189-F338 HydrophobicContact CZ-CE2 4.16Å; F189-F338 HydrophobicContact CZ-CZ 4.48Å; F189-P346 HydrophobicContact CD2-CG 4.46Å; F189-L349 HydrophobicContact CD2-CD1 4Å; F189-L349 HydrophobicContact CD2-CD2 3.98Å; F189-L349 HydrophobicContact CD2-CG 4.46Å; F189-L349 HydrophobicContact CE2-CD1 3.44Å; F189-L349 VanDerWaalsContact CE2-CD1 3.44Å; F189-L349 HydrophobicContact CE2-CD2 3.65Å; F189-L349 HydrophobicContact CE2-CG 4.14Å; F189-L349 HydrophobicContact CZ-CD1 4.43Å
190	E	97.9	Very high	97.4	Very high	13 Å²	13	11.3 Å²	11.3	6%	0.061	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-41.9	165.5	-70.8	-162	178.1	0	0	110.9	R186 E187 L192 S194 D312	R186-E190 HydrophobicContact CG-CB 4.44Å; R186-E190 IonicContact CZ-OE2 3.72Å; R186-E190 IonicContact NE-OE2 3.56Å; R186-E190 PolarHBondContact NE-OE2 3.46Å; R186-E190 IonicContact NH2-OE2 3.24Å; R186-E190 PolarHBondContact NH2-OE2 2.77Å; E187-E190 HydrophobicContact CB-CB 4.29Å; E187-E190 HydrophobicContact CB-CG 4.17Å; E187-E190 PolarHBondContact O-N 3.16Å; E187-E190 PolarHBondContact OE2-N 3.31Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.91Å; E190-S194 VanDerWaalsContact O-CB 3.25Å; E190-S194 WeakPolarHBondContact O-CB 3.45Å; E190-S194 PolarHBondContact O-N 3.2Å; E190-D312 PolarHBondContact OE1-N 2.89Å
191	R	98	Very high	97	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.011	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-43.9	175.2	-164.8	-173	102	79.9	-2.6	110.5	P124 K125 V126 R186 E187 P188 F189 S194 A195 E257 H258 Q260	P124-R191 PolarHBondContact O-NH1 3.09Å; K125-R191 HydrophobicContact CB-CG 3.88Å; V126-R191 HydrophobicContact CG2-CG 4.25Å; R186-R191 HydrophobicContact CB-CB 4.3Å; R186-R191 HydrophobicContact CG-CB 4.39Å; E187-R191 PolarHBondContact O-N 3.39Å; P188-R191 WeakPolarHBondContact O-CB 3.19Å; F189-R191 VanDerWaalsContact C-N 3.3Å; F189-R191 PolarHBondContact O-N 2.98Å; R191-S194 WeakPolarHBondContact O-CB 3.49Å; R191-S194 PolarHBondContact O-N 3.39Å; R191-A195 PolarHBondContact O-N 3.19Å; R191-E257 PolarHBondContact NH2-O 3.45Å; R191-E257 VanDerWaalsContact NH2-O 3.16Å; R191-H258 PolarHBondContact NH1-O 3.04Å; R191-H258 PolarHBondContact NH2-O 3.45Å; R191-Q260 PolarHBondContact NH2-O 2.89Å
192	L	98.4	Very high	96.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-47	179.9	-176	60.2	0	0	0	112.5	P188 F189 E190 S194 A195 Y196 F240 I241 L244 W259 L330 Y334	P188-L192 WeakPolarHBondContact O-CB 3.19Å; P188-L192 PolarHBondContact O-N 3.46Å; F189-L192 PolarHBondContact O-N 3.04Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.91Å; L192-S194 VanDerWaalsContact C-N 3.32Å; L192-S194 PolarHBondContact O-N 2.92Å; L192-A195 WeakPolarHBondContact O-CB 3.44Å; L192-A195 PolarHBondContact O-N 3.4Å; L192-A195 VanDerWaalsContact O-N 3.12Å; L192-Y196 PolarHBondContact O-N 2.9Å; L192-F240 HydrophobicContact CD1-CE1 3.58Å; L192-F240 HydrophobicContact CD1-CZ 3.88Å; L192-F240 HydrophobicContact CG-CE1 4.15Å; L192-I241 HydrophobicContact CD2-CD1 3.81Å; L192-L244 HydrophobicContact CD1-CD1 3.74Å; L192-L244 HydrophobicContact CD2-CD1 4.14Å; L192-W259 HydrophobicContact CD1-CB 3.8Å; L192-L330 HydrophobicContact CD2-CD1 4.01Å; L192-L330 HydrophobicContact CD2-CD2 3.82Å; L192-L330 HydrophobicContact CD2-CG 4.32Å; L192-Y334 WeakPolarHBondContact CD1-OH 3.44Å; L192-Y334 HydrophobicContact CD2-CE2 4.07Å
193	V	97.9	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-40.3	176.2	169.3	0	0	0	0	110.6	F189 A195 Y196 R197 F237 T310 T315 F318 F319	F189-V193 WeakPolarHBondContact O-CG2 3.41Å; F189-V193 PolarHBondContact O-N 3.42Å; V193-A195 VanDerWaalsContact C-N 3.28Å; V193-A195 PolarHBondContact O-N 3.01Å; V193-Y196 PolarHBondContact O-N 2.87Å; V193-R197 HydrophobicContact CG1-CG 4.23Å; V193-R197 WeakPolarHBondContact O-CB 3.23Å; V193-R197 VanDerWaalsContact O-CG 3.3Å; V193-R197 WeakPolarHBondContact O-CG 3.43Å; V193-R197 PolarHBondContact O-N 3.35Å; V193-F237 HydrophobicContact CG2-CE2 3.99Å; V193-F237 HydrophobicContact CG2-CZ 3.82Å; V193-T310 HydrophobicContact CB-CG2 3.92Å; V193-T310 HydrophobicContact CG1-CG2 3.58Å; V193-T315 HydrophobicContact CG2-CG2 3.8Å; V193-F318 HydrophobicContact CB-CD2 4.45Å; V193-F318 HydrophobicContact CG1-CD2 3.37Å; V193-F318 HydrophobicContact CG1-CE2 3.55Å; V193-F318 HydrophobicContact CG1-CG 4.07Å; V193-F318 HydrophobicContact CG1-CZ 4.36Å; V193-F318 HydrophobicContact CG2-CB 4.01Å; V193-F318 HydrophobicContact CG2-CD2 4.17Å; V193-F318 HydrophobicContact CG2-CG 4.16Å; V193-F319 HydrophobicContact CG2-CE2 4.24Å
194	S	96.7	Very high	95.2	Very high	22 Å²	22	34.5 Å²	34.5	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-39.5	172.9	-176.1	0	0	0	0	112	E190 R191 L192 N198	E190-S194 VanDerWaalsContact O-CB 3.25Å; E190-S194 WeakPolarHBondContact O-CB 3.45Å; E190-S194 PolarHBondContact O-N 3.2Å; R191-S194 WeakPolarHBondContact O-CB 3.49Å; R191-S194 PolarHBondContact O-N 3.39Å; L192-S194 VanDerWaalsContact C-N 3.32Å; L192-S194 PolarHBondContact O-N 2.92Å; S194-N198 VanDerWaalsContact O-CB 3.26Å; S194-N198 WeakPolarHBondContact O-CB 3.43Å; S194-N198 PolarHBondContact O-N 3.1Å
195	A	97.3	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-49.2	175.4	0	0	0	0	0	112	K125 R191 L192 V193 N198 K199 H258	K125-A195 HydrophobicContact CG-CB 4.02Å; R191-A195 PolarHBondContact O-N 3.19Å; L192-A195 WeakPolarHBondContact O-CB 3.44Å; L192-A195 PolarHBondContact O-N 3.4Å; L192-A195 VanDerWaalsContact O-N 3.12Å; V193-A195 VanDerWaalsContact C-N 3.28Å; V193-A195 PolarHBondContact O-N 3.01Å; A195-N198 PolarHBondContact O-N 2.6Å; A195-K199 WeakPolarHBondContact O-CB 3.17Å; A195-K199 WeakPolarHBondContact O-CG 3.04Å; A195-K199 PolarHBondContact O-N 3.23Å; A195-H258 HydrophobicContact CB-CB 4.3Å; A195-H258 WeakPolarHBondContact CB-O 3.45Å
196	Y	97.6	Very high	94.4	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.078	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-52.8	177.8	168.5	-96.2	0	0	0	111.6	L192 V193 N198 K199 F200 T201 V235 F237 F240 F318	L192-Y196 PolarHBondContact O-N 2.9Å; V193-Y196 PolarHBondContact O-N 2.87Å; Y196-N198 VanDerWaalsContact C-N 3.29Å; Y196-N198 PolarHBondContact O-N 3.14Å; Y196-K199 PolarHBondContact O-N 2.88Å; Y196-K199 VanDerWaalsContact O-N 3.13Å; Y196-F200 HydrophobicContact CD2-CB 4.14Å; Y196-F200 AromaticContact CD2-CD2 3.72Å; Y196-F200 HydrophobicContact CD2-CD2 3.72Å; Y196-F200 HydrophobicContact CD2-CG 4.32Å; Y196-F200 HydrophobicContact CE2-CB 4.02Å; Y196-F200 HydrophobicContact CE2-CD2 4.27Å; Y196-F200 HydrophobicContact CE2-CG 4.47Å; Y196-F200 HydrophobicContact CG-CD2 4.49Å; Y196-F200 PolarHBondContact O-N 3.39Å; Y196-T201 HydrophobicContact CD1-CG2 4.27Å; Y196-T201 HydrophobicContact CE1-CG2 3.7Å; Y196-V235 PolarHBondContact OH-O 2.84Å; Y196-F237 HydrophobicContact CD1-CB 4.46Å; Y196-F237 AromaticContact CD1-CD2 3.76Å; Y196-F237 HydrophobicContact CD1-CD2 3.76Å; Y196-F237 AromaticContact CD2-CD2 3.86Å; Y196-F237 HydrophobicContact CD2-CD2 3.86Å; Y196-F237 HydrophobicContact CE1-CB 4.03Å; Y196-F237 HydrophobicContact CE1-CD2 4.19Å; Y196-F237 HydrophobicContact CE2-CB 4.09Å; Y196-F237 HydrophobicContact CE2-CD2 4.25Å; Y196-F237 AromaticContact CG-CD2 3.59Å; Y196-F237 HydrophobicContact CG-CD2 3.59Å; Y196-F237 HydrophobicContact CG-CE2 4.25Å; Y196-F237 PolarHBondContact OH-N 3.36Å; Y196-F240 HydrophobicContact CD2-CB 3.92Å; Y196-F240 AromaticContact CD2-CD1 3.72Å; Y196-F240 HydrophobicContact CD2-CD1 3.72Å; Y196-F240 HydrophobicContact CD2-CE1 4.45Å; Y196-F240 AromaticContact CD2-CG 3.93Å; Y196-F240 HydrophobicContact CD2-CG 3.93Å; Y196-F240 HydrophobicContact CE2-CB 4.19Å; Y196-F240 HydrophobicContact CG-CD1 4.2Å; Y196-F318 AromaticContact CD1-CE1 3.91Å; Y196-F318 HydrophobicContact CD1-CE1 3.91Å; Y196-F318 HydrophobicContact CD1-CZ 4.38Å; Y196-F318 HydrophobicContact CE1-CD1 4.39Å; Y196-F318 AromaticContact CE1-CE1 3.6Å; Y196-F318 HydrophobicContact CE1-CE1 3.6Å; Y196-F318 HydrophobicContact CE1-CZ 4.27Å
197	R	95.4	Very high	94.2	Very high	79 Å²	79	42.3 Å²	42.3	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-57	-45.3	177.9	-69.4	176.5	68.4	-142	1.1	110.9	V193 K199 T201 T310 M314 F318	V193-R197 HydrophobicContact CG1-CG 4.23Å; V193-R197 WeakPolarHBondContact O-CB 3.23Å; V193-R197 VanDerWaalsContact O-CG 3.3Å; V193-R197 WeakPolarHBondContact O-CG 3.43Å; V193-R197 PolarHBondContact O-N 3.35Å; R197-K199 VanDerWaalsContact C-N 3.35Å; R197-K199 PolarHBondContact O-N 3.23Å; R197-T201 PolarHBondContact O-N 2.78Å; R197-T201 PolarHBondContact O-OG1 2.96Å; R197-T310 PolarHBondContact NH1-OG1 2.81Å; R197-T310 VanDerWaalsContact NH1-OG1 3.08Å; R197-M314 PolarHBondContact NH1-SD 3.15Å; R197-F318 HydrophobicContact CG-CE2 4.23Å; R197-F318 HydrophobicContact CG-CZ 3.95Å
198	N	93	Very high	94.1	Very high	42 Å²	42	43 Å²	43	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-33.9	179.7	-178.5	-111.7	0	0	0	113.5	K125 S194 A195 Y196 N205	K125-N198 HydrophobicContact CD-CB 4.47Å; K125-N198 PolarHBondContact NZ-OD1 3.34Å; S194-N198 VanDerWaalsContact O-CB 3.26Å; S194-N198 WeakPolarHBondContact O-CB 3.43Å; S194-N198 PolarHBondContact O-N 3.1Å; A195-N198 PolarHBondContact O-N 2.6Å; Y196-N198 VanDerWaalsContact C-N 3.29Å; Y196-N198 PolarHBondContact O-N 3.14Å; N198-N205 PolarHBondContact O-ND2 3.17Å
199	K	95.4	Very high	94	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-100.5	-23	-170.2	-65.8	-47.7	-171.3	-168.8	0	115.7	A195 Y196 R197 F208 H209 H258	A195-K199 WeakPolarHBondContact O-CB 3.17Å; A195-K199 WeakPolarHBondContact O-CG 3.04Å; A195-K199 PolarHBondContact O-N 3.23Å; Y196-K199 PolarHBondContact O-N 2.88Å; Y196-K199 VanDerWaalsContact O-N 3.13Å; R197-K199 VanDerWaalsContact C-N 3.35Å; R197-K199 PolarHBondContact O-N 3.23Å; K199-F208 HydrophobicContact CB-CB 4.5Å; K199-F208 HydrophobicContact CB-CD1 3.99Å; K199-F208 HydrophobicContact CB-CG 4.32Å; K199-F208 HydrophobicContact CD-CD1 3.8Å; K199-F208 HydrophobicContact CD-CD2 3.93Å; K199-F208 HydrophobicContact CD-CE1 3.87Å; K199-F208 HydrophobicContact CD-CE2 3.99Å; K199-F208 HydrophobicContact CD-CG 3.84Å; K199-F208 HydrophobicContact CD-CZ 3.97Å; K199-F208 HydrophobicContact CG-CD1 3.85Å; K199-F208 HydrophobicContact CG-CE1 3.98Å; K199-F208 HydrophobicContact CG-CG 4.32Å; K199-H209 PolarHBondContact O-CD2 3.35Å; K199-H209 VanDerWaalsContact O-CD2 3.23Å; K199-H209 PolarHBondContact O-NE2 3.06Å; K199-H258 WeakPolarHBondContact CE-CD2 3.43Å; K199-H258 WeakPolarHBondContact CE-NE2 3.33Å; K199-H258 PolarHBondContact NZ-NE2 3.45Å
200	F	94.9	Very high	93.9	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-122.9	-15.5	-173.4	-62.9	-68.3	0	0	0	114.4	Y196 F212 I216 V235 F240 W259	Y196-F200 HydrophobicContact CD2-CB 4.14Å; Y196-F200 AromaticContact CD2-CD2 3.72Å; Y196-F200 HydrophobicContact CD2-CD2 3.72Å; Y196-F200 HydrophobicContact CD2-CG 4.32Å; Y196-F200 HydrophobicContact CE2-CB 4.02Å; Y196-F200 HydrophobicContact CE2-CD2 4.27Å; Y196-F200 HydrophobicContact CE2-CG 4.47Å; Y196-F200 HydrophobicContact CG-CD2 4.49Å; Y196-F200 PolarHBondContact O-N 3.39Å; F200-F212 HydrophobicContact CE1-CB 4.01Å; F200-F212 HydrophobicContact CZ-CB 3.92Å; F200-I216 HydrophobicContact CE1-CD1 4.23Å; F200-I216 HydrophobicContact CZ-CD1 3.84Å; F200-V235 HydrophobicContact CB-CB 4.3Å; F200-V235 HydrophobicContact CD1-CB 3.96Å; F200-V235 HydrophobicContact CD1-CG1 4.45Å; F200-V235 HydrophobicContact CD1-CG2 3.77Å; F200-V235 HydrophobicContact CE1-CG2 4.1Å; F200-V235 HydrophobicContact CG-CB 4.19Å; F200-V235 HydrophobicContact CG-CG2 4.49Å; F200-F240 HydrophobicContact CD2-CD2 4.45Å; F200-F240 AromaticContact CE2-CD2 3.71Å; F200-F240 HydrophobicContact CE2-CD2 3.71Å; F200-F240 AromaticContact CE2-CE2 3.79Å; F200-F240 HydrophobicContact CE2-CE2 3.79Å; F200-F240 HydrophobicContact CE2-CG 4.33Å; F200-F240 HydrophobicContact CE2-CZ 4.45Å; F200-F240 HydrophobicContact CZ-CD2 4.35Å; F200-F240 HydrophobicContact CZ-CE2 4.5Å; F200-W259 HydrophobicContact CE2-CZ3 4.33Å; F200-W259 HydrophobicContact CZ-CH2 4.42Å; F200-W259 HydrophobicContact CZ-CZ3 4.45Å
201	T	90.5	Very high	93.7	Very high	75 Å²	75	55.6 Å²	55.6	46%	0.46	27%	0.265	S	S	.	.	S	Bend	trans	-101.5	-8.5	-179.4	76.2	0	0	0	0	113.7	Y196 R197	Y196-T201 HydrophobicContact CD1-CG2 4.27Å; Y196-T201 HydrophobicContact CE1-CG2 3.7Å; R197-T201 PolarHBondContact O-N 2.78Å; R197-T201 PolarHBondContact O-OG1 2.96Å
202	L	88.7	Confident	93.7	Very high	60 Å²	60	56.2 Å²	56.2	31%	0.314	27%	0.267	S	S	.	.	S	Bend	trans	-105	115	-177.5	-61.1	179.1	0	0	0	110.1	Y204 N205 H209	L202-Y204 HydrophobicContact CB-CD1 4.18Å; L202-Y204 HydrophobicContact CB-CE1 3.78Å; L202-Y204 HydrophobicContact CD1-CE1 3.9Å; L202-Y204 WeakPolarHBondContact CD1-OH 3.3Å; L202-Y204 HydrophobicContact CG-CE1 4.31Å; L202-Y204 PolarHBondContact O-N 3.05Å; L202-N205 PolarHBondContact O-N 3.35Å; L202-H209 PolarHBondContact O-CE1 3.29Å; L202-H209 PolarHBondContact O-NE2 3.38Å
203	K	83.6	Confident	93.6	Very high	198 Å²	198	56.1 Å²	56.1	86%	0.861	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-33	-172.3	-66.9	-173.9	177.7	-177.4	0	114.6	N205	K203-N205 VanDerWaalsContact C-N 3.28Å; K203-N205 PolarHBondContact O-N 3.22Å
204	Y	85.3	Confident	93.6	Very high	163 Å²	163	56.7 Å²	56.7	64%	0.639	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.4	-176.7	64.9	-104.9	0	0	0	114.5	L202 S206	L202-Y204 HydrophobicContact CB-CD1 4.18Å; L202-Y204 HydrophobicContact CB-CE1 3.78Å; L202-Y204 HydrophobicContact CD1-CE1 3.9Å; L202-Y204 WeakPolarHBondContact CD1-OH 3.3Å; L202-Y204 HydrophobicContact CG-CE1 4.31Å; L202-Y204 PolarHBondContact O-N 3.05Å; Y204-S206 PolarHBondContact O-N 2.89Å
205	N	89.4	Confident	93.5	Very high	17 Å²	17	59.2 Å²	59.2	9%	0.091	28%	0.277	C	S	.	.			trans	-82.1	45.1	178.4	-70.5	-67.9	0	0	0	112.9	N198 L202 K203 S207 F208 H209	N198-N205 PolarHBondContact O-ND2 3.17Å; L202-N205 PolarHBondContact O-N 3.35Å; K203-N205 VanDerWaalsContact C-N 3.28Å; K203-N205 PolarHBondContact O-N 3.22Å; N205-S207 PolarHBondContact O-N 3.02Å; N205-S207 VanDerWaalsContact O-N 3.11Å; N205-F208 HydrophobicContact CB-CB 4.36Å; N205-F208 PolarHBondContact O-N 2.56Å; N205-H209 PolarHBondContact O-CD2 3.01Å; N205-H209 VanDerWaalsContact O-CG 3.27Å; N205-H209 PolarHBondContact O-N 2.96Å
206	S	90.7	Very high	93.6	Very high	74 Å²	74	59.2 Å²	59.2	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-53.6	-36.1	-176.6	59.9	0	0	0	0	112.9	Y204 F208 H209 K210	Y204-S206 PolarHBondContact O-N 2.89Å; S206-F208 PolarHBondContact O-N 2.9Å; S206-H209 PolarHBondContact O-N 3.1Å; S206-K210 WeakPolarHBondContact O-CB 3.39Å; S206-K210 VanDerWaalsContact O-CG 3.25Å; S206-K210 WeakPolarHBondContact O-CG 3.45Å; S206-K210 PolarHBondContact O-N 2.94Å
207	S	92.9	Very high	93.6	Very high	79 Å²	79	58.3 Å²	58.3	55%	0.552	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-41.3	176.8	61.8	0	0	0	0	113.1	N205 R211	N205-S207 PolarHBondContact O-N 3.02Å; N205-S207 VanDerWaalsContact O-N 3.11Å; S207-R211 WeakPolarHBondContact O-CB 3.42Å; S207-R211 PolarHBondContact O-N 2.87Å
208	F	95.4	Very high	93.6	Very high	31 Å²	31	62.2 Å²	62.2	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-71.9	-40.9	175.5	-88.2	-98	0	0	0	111.6	K199 N205 S206 K210 R211 F212 G213 H258 W259	K199-F208 HydrophobicContact CB-CB 4.5Å; K199-F208 HydrophobicContact CB-CD1 3.99Å; K199-F208 HydrophobicContact CB-CG 4.32Å; K199-F208 HydrophobicContact CD-CD1 3.8Å; K199-F208 HydrophobicContact CD-CD2 3.93Å; K199-F208 HydrophobicContact CD-CE1 3.87Å; K199-F208 HydrophobicContact CD-CE2 3.99Å; K199-F208 HydrophobicContact CD-CG 3.84Å; K199-F208 HydrophobicContact CD-CZ 3.97Å; K199-F208 HydrophobicContact CG-CD1 3.85Å; K199-F208 HydrophobicContact CG-CE1 3.98Å; K199-F208 HydrophobicContact CG-CG 4.32Å; N205-F208 HydrophobicContact CB-CB 4.36Å; N205-F208 PolarHBondContact O-N 2.56Å; S206-F208 PolarHBondContact O-N 2.9Å; F208-K210 PolarHBondContact O-N 3.49Å; F208-R211 PolarHBondContact O-N 2.97Å; F208-F212 AromaticContact CD1-CD2 3.67Å; F208-F212 HydrophobicContact CD1-CD2 3.67Å; F208-F212 AromaticContact CD1-CE2 3.93Å; F208-F212 HydrophobicContact CD1-CE2 3.93Å; F208-F212 HydrophobicContact CE1-CD2 4.1Å; F208-F212 AromaticContact CE1-CE2 3.89Å; F208-F212 HydrophobicContact CE1-CE2 3.89Å; F208-F212 HydrophobicContact CG-CD2 4.42Å; F208-F212 PolarHBondContact O-N 3.26Å; F208-G213 PolarHBondContact O-N 3.38Å; F208-H258 AromaticContact CE1-CD2 3.65Å; F208-H258 AromaticContact CZ-CD2 3.43Å; F208-H258 VanDerWaalsContact CZ-CD2 3.43Å; F208-H258 WeakPolarHBondContact CZ-CD2 3.29Å; F208-H258 AromaticContact CZ-NE2 3.59Å; F208-W259 HydrophobicContact CD1-CH2 4.47Å; F208-W259 HydrophobicContact CD1-CZ3 4.38Å; F208-W259 HydrophobicContact CE1-CH2 4.37Å; F208-W259 HydrophobicContact CE1-CZ3 4.19Å
209	H	96	Very high	93.8	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.019	30%	0.296	C	S	.	.	I	π-helix	trans	-59.7	-47	176.6	-59.1	168.6	0	0	0	111	K199 L202 N205 S206 G213 T214 N231 G232 A233	K199-H209 PolarHBondContact O-CD2 3.35Å; K199-H209 VanDerWaalsContact O-CD2 3.23Å; K199-H209 PolarHBondContact O-NE2 3.06Å; L202-H209 PolarHBondContact O-CE1 3.29Å; L202-H209 PolarHBondContact O-NE2 3.38Å; N205-H209 PolarHBondContact O-CD2 3.01Å; N205-H209 VanDerWaalsContact O-CG 3.27Å; N205-H209 PolarHBondContact O-N 2.96Å; S206-H209 PolarHBondContact O-N 3.1Å; H209-G213 CarbonylContact O-C 3.56Å; H209-G213 WeakPolarHBondContact O-CA 3.49Å; H209-G213 PolarHBondContact O-N 3.47Å; H209-T214 PolarHBondContact O-N 3.25Å; H209-N231 CarbonylContact C-O 3.56Å; H209-N231 WeakPolarHBondContact CB-O 3.46Å; H209-G232 WeakPolarHBondContact CB-O 3.4Å; H209-A233 HydrophobicContact CB-CB 4.36Å; H209-A233 WeakPolarHBondContact ND1-CB 3.04Å
210	K	96.1	Very high	93.8	Very high	93 Å²	93	65.7 Å²	65.7	40%	0.404	30%	0.297	S	S	.	.	I	π-helix	trans	-66.4	-47.5	176.8	-66.5	-64.9	-178	175.8	0	112.1	S206 F208 T214 I230 N231	S206-K210 WeakPolarHBondContact O-CB 3.39Å; S206-K210 VanDerWaalsContact O-CG 3.25Å; S206-K210 WeakPolarHBondContact O-CG 3.45Å; S206-K210 PolarHBondContact O-N 2.94Å; F208-K210 PolarHBondContact O-N 3.49Å; K210-T214 PolarHBondContact O-OG1 3.49Å; K210-I230 VanDerWaalsContact CD-O 3.28Å; K210-I230 WeakPolarHBondContact CD-O 3.16Å; K210-I230 WeakPolarHBondContact CE-O 3.17Å; K210-I230 PolarHBondContact NZ-O 2.9Å; K210-N231 PolarHBondContact NZ-OD1 3.49Å
211	R	95.3	Very high	93.9	Very high	182 Å²	182	67.3 Å²	67.3	69%	0.687	30%	0.303	S	S	*	.	I	π-helix	trans	-72.4	-45.8	-174.3	-177.3	175.1	179.1	175.6	2.2	113.8	S207 F208	S207-R211 WeakPolarHBondContact O-CB 3.42Å; S207-R211 PolarHBondContact O-N 2.87Å; F208-R211 PolarHBondContact O-N 2.97Å
212	F	96.8	Very high	94.1	Very high	15 Å²	15	72.8 Å²	72.8	7%	0.066	32%	0.321	C	S	.	.	I	π-helix	trans	-107.7	-44.1	-174.9	-64.4	-76.8	0	0	0	111.5	F200 F208 T214 R215 I216 N256 W259	F200-F212 HydrophobicContact CE1-CB 4.01Å; F200-F212 HydrophobicContact CZ-CB 3.92Å; F208-F212 AromaticContact CD1-CD2 3.67Å; F208-F212 HydrophobicContact CD1-CD2 3.67Å; F208-F212 AromaticContact CD1-CE2 3.93Å; F208-F212 HydrophobicContact CD1-CE2 3.93Å; F208-F212 HydrophobicContact CE1-CD2 4.1Å; F208-F212 AromaticContact CE1-CE2 3.89Å; F208-F212 HydrophobicContact CE1-CE2 3.89Å; F208-F212 HydrophobicContact CG-CD2 4.42Å; F208-F212 PolarHBondContact O-N 3.26Å; F212-T214 PolarHBondContact O-N 3.2Å; F212-R215 PolarHBondContact O-N 2.74Å; F212-I216 HydrophobicContact CB-CD1 4.43Å; F212-I216 VanDerWaalsContact O-CG1 3.25Å; F212-I216 WeakPolarHBondContact O-CG1 3.49Å; F212-I216 PolarHBondContact O-N 3.08Å; F212-N256 HydrophobicContact CE1-CB 4.38Å; F212-N256 HydrophobicContact CZ-CB 3.95Å; F212-W259 HydrophobicContact CB-CH2 4.39Å; F212-W259 AromaticContact CD1-CH2 3.84Å; F212-W259 HydrophobicContact CD1-CH2 3.84Å; F212-W259 AromaticContact CD1-CZ2 3.74Å; F212-W259 HydrophobicContact CD1-CZ2 3.74Å; F212-W259 AromaticContact CD2-CH2 3.82Å; F212-W259 HydrophobicContact CD2-CH2 3.82Å; F212-W259 AromaticContact CE1-CH2 3.99Å; F212-W259 HydrophobicContact CE1-CH2 3.99Å; F212-W259 AromaticContact CE1-CZ2 3.73Å; F212-W259 HydrophobicContact CE1-CZ2 3.73Å; F212-W259 AromaticContact CE2-CH2 3.96Å; F212-W259 HydrophobicContact CE2-CH2 3.96Å; F212-W259 HydrophobicContact CE2-CZ2 4.49Å; F212-W259 AromaticContact CG-CH2 3.75Å; F212-W259 HydrophobicContact CG-CH2 3.75Å; F212-W259 HydrophobicContact CG-CZ2 4.14Å; F212-W259 HydrophobicContact CZ-CH2 4.05Å; F212-W259 HydrophobicContact CZ-CZ2 4.13Å
213	G	97.3	Very high	94.4	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	35%	0.348	C	S	.	.	I	π-helix	trans	-62.7	-47	-173.6	0	0	0	0	0	113.6	F208 H209 R215 I216 I217 G232	F208-G213 PolarHBondContact O-N 3.38Å; H209-G213 CarbonylContact O-C 3.56Å; H209-G213 WeakPolarHBondContact O-CA 3.49Å; H209-G213 PolarHBondContact O-N 3.47Å; G213-R215 VanDerWaalsContact C-N 3.28Å; G213-R215 PolarHBondContact O-N 2.99Å; G213-I216 PolarHBondContact O-N 2.9Å; G213-I217 WeakPolarHBondContact O-CB 3.08Å; G213-I217 VanDerWaalsContact O-CG1 3.3Å; G213-I217 WeakPolarHBondContact O-CG1 3.32Å; G213-I217 PolarHBondContact O-N 2.78Å; G213-G232 WeakPolarHBondContact CA-O 3.37Å
214	T	97.1	Very high	95	Very high	11 Å²	11	69.5 Å²	69.5	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-38	176.3	66.2	0	0	0	0	112.1	H209 K210 F212 R218 I230	H209-T214 PolarHBondContact O-N 3.25Å; K210-T214 PolarHBondContact O-OG1 3.49Å; F212-T214 PolarHBondContact O-N 3.2Å; T214-R218 WeakPolarHBondContact O-CB 3.09Å; T214-R218 WeakPolarHBondContact O-CD 3.32Å; T214-R218 WeakPolarHBondContact O-CG 3.38Å; T214-R218 PolarHBondContact O-N 3.41Å; T214-I230 WeakPolarHBondContact CG2-O 3.19Å
215	R	95.9	Very high	95.6	Very high	76 Å²	76	65.9 Å²	65.9	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-43.9	177.7	178	174.7	171.5	-173.4	-7.8	112	F212 G213 R219 D252	F212-R215 PolarHBondContact O-N 2.74Å; G213-R215 VanDerWaalsContact C-N 3.28Å; G213-R215 PolarHBondContact O-N 2.99Å; R215-R219 WeakPolarHBondContact O-CG 3.26Å; R215-R219 PolarHBondContact O-N 2.97Å; R215-D252 IonicContact CZ-OD2 3.46Å; R215-D252 IonicContact NH2-OD2 3.54Å; R215-D252 PolarHBondContact NH2-OD2 3.44Å
216	I	97.6	Very high	95.9	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-50.4	177	-68.5	168	0	0	0	109.5	F200 F212 G213 R218 R219 Y220 V235 E239 F240 Y243	F200-I216 HydrophobicContact CE1-CD1 4.23Å; F200-I216 HydrophobicContact CZ-CD1 3.84Å; F212-I216 HydrophobicContact CB-CD1 4.43Å; F212-I216 VanDerWaalsContact O-CG1 3.25Å; F212-I216 WeakPolarHBondContact O-CG1 3.49Å; F212-I216 PolarHBondContact O-N 3.08Å; G213-I216 PolarHBondContact O-N 2.9Å; I216-R218 PolarHBondContact O-N 2.82Å; I216-R219 PolarHBondContact O-N 3.11Å; I216-Y220 HydrophobicContact CG2-CD2 4.01Å; I216-Y220 WeakPolarHBondContact O-CD2 3.38Å; I216-Y220 PolarHBondContact O-N 3.33Å; I216-V235 HydrophobicContact CB-CG1 4.43Å; I216-V235 HydrophobicContact CD1-CG1 4.3Å; I216-V235 HydrophobicContact CG2-CG1 3.77Å; I216-E239 HydrophobicContact CG2-CB 3.72Å; I216-F240 HydrophobicContact CD1-CD2 4.15Å; I216-Y243 HydrophobicContact CD1-CD1 4.04Å; I216-Y243 HydrophobicContact CD1-CG 4.04Å; I216-Y243 HydrophobicContact CG1-CD1 4.19Å; I216-Y243 HydrophobicContact CG1-CD2 3.83Å; I216-Y243 HydrophobicContact CG1-CE2 4.41Å; I216-Y243 HydrophobicContact CG1-CG 3.69Å
217	I	98	Very high	96.1	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-46.1	-178.9	-68.6	175.7	0	0	0	111.2	G213 R219 Y220 R221 A224 A228 L229 D234 V235	G213-I217 WeakPolarHBondContact O-CB 3.08Å; G213-I217 VanDerWaalsContact O-CG1 3.3Å; G213-I217 WeakPolarHBondContact O-CG1 3.32Å; G213-I217 PolarHBondContact O-N 2.78Å; I217-R219 PolarHBondContact O-N 3.26Å; I217-Y220 PolarHBondContact O-N 2.71Å; I217-R221 HydrophobicContact CG2-CB 3.94Å; I217-R221 VanDerWaalsContact O-CB 3.28Å; I217-R221 WeakPolarHBondContact O-CB 3.25Å; I217-R221 PolarHBondContact O-N 2.74Å; I217-A224 HydrophobicContact CG2-CB 3.75Å; I217-A228 HydrophobicContact CD1-CB 4.12Å; I217-A228 HydrophobicContact CG2-CB 4.13Å; I217-L229 HydrophobicContact CG2-CD2 4.13Å; I217-D234 VanDerWaalsContact CD1-OD1 3.22Å; I217-D234 WeakPolarHBondContact CD1-OD1 2.95Å; I217-V235 HydrophobicContact CD1-CG2 4.14Å; I217-V235 HydrophobicContact CG1-CG2 4.12Å
218	R	96.5	Very high	96.2	Very high	162 Å²	162	68.9 Å²	68.9	61%	0.611	31%	0.312	S	S	*	.	H	α-helix	trans	-57.9	-34.6	178	-78.5	171	-165.6	163.7	7.8	113.4	T214 I216 L229	T214-R218 WeakPolarHBondContact O-CB 3.09Å; T214-R218 WeakPolarHBondContact O-CD 3.32Å; T214-R218 WeakPolarHBondContact O-CG 3.38Å; T214-R218 PolarHBondContact O-N 3.41Å; I216-R218 PolarHBondContact O-N 2.82Å; R218-L229 HydrophobicContact CB-CD2 4.46Å; R218-L229 HydrophobicContact CG-CD2 3.55Å; R218-L229 PolarHBondContact NH2-O 3Å
219	R	95.7	Very high	96.3	Very high	103 Å²	103	69.4 Å²	69.4	39%	0.389	32%	0.316	S	S	.	.	H	α-helix	trans	-83.2	-42.2	-177	-73.5	-176.1	-178.2	-169.4	-3.3	112.7	R215 I216 I217 D252	R215-R219 WeakPolarHBondContact O-CG 3.26Å; R215-R219 PolarHBondContact O-N 2.97Å; I216-R219 PolarHBondContact O-N 3.11Å; I217-R219 PolarHBondContact O-N 3.26Å; R219-D252 IonicContact CZ-OD2 3.81Å; R219-D252 IonicContact NH1-OD2 3.47Å; R219-D252 PolarHBondContact NH1-OD2 2.94Å; R219-D252 IonicContact NH2-OD2 2.75Å; R219-D252 PolarHBondContact NH2-OD2 2.97Å
220	Y	96.1	Very high	96.2	Very high	34 Å²	34	73.2 Å²	73.2	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-116.1	-18.2	-164	-49.9	-68.3	0	0	0	114.3	I216 I217 E242 Y243 D246	I216-Y220 HydrophobicContact CG2-CD2 4.01Å; I216-Y220 WeakPolarHBondContact O-CD2 3.38Å; I216-Y220 PolarHBondContact O-N 3.33Å; I217-Y220 PolarHBondContact O-N 2.71Å; Y220-E242 HydrophobicContact CD1-CB 4.19Å; Y220-E242 HydrophobicContact CD1-CG 3.55Å; Y220-E242 WeakPolarHBondContact CD1-OE1 3.29Å; Y220-E242 HydrophobicContact CE1-CG 3.91Å; Y220-E242 HydrophobicContact CG-CB 4.28Å; Y220-E242 HydrophobicContact CG-CG 4.1Å; Y220-Y243 HydrophobicContact CE2-CD2 4.14Å; Y220-Y243 HydrophobicContact CE2-CG 4.39Å; Y220-D246 HydrophobicContact CE1-CB 4.37Å; Y220-D246 WeakPolarHBondContact CE1-OD2 3.25Å; Y220-D246 WeakPolarHBondContact OH-CB 3.15Å; Y220-D246 PolarHBondContact OH-OD2 3.42Å
221	R	97.4	Very high	96.1	Very high	36 Å²	36	71.5 Å²	71.5	14%	0.136	33%	0.33	C	S	.	.			trans	-88	116.1	-178.6	-172	174.4	-63.1	175.7	-0.1	111.6	I217 A224 D234 E239	I217-R221 HydrophobicContact CG2-CB 3.94Å; I217-R221 VanDerWaalsContact O-CB 3.28Å; I217-R221 WeakPolarHBondContact O-CB 3.25Å; I217-R221 PolarHBondContact O-N 2.74Å; R221-A224 HydrophobicContact CB-CB 4.22Å; R221-A224 HydrophobicContact CG-CB 4.04Å; R221-D234 IonicContact CZ-OD1 3.5Å; R221-D234 IonicContact CZ-OD2 3.56Å; R221-D234 IonicContact NH1-OD1 3.36Å; R221-D234 PolarHBondContact NH1-OD1 3.47Å; R221-D234 IonicContact NH1-OD2 3.58Å; R221-D234 PolarHBondContact NH1-OD2 3.19Å; R221-D234 PolarHBondContact NH2-O 3.2Å; R221-D234 IonicContact NH2-OD1 2.76Å; R221-D234 IonicContact NH2-OD2 2.75Å; R221-E239 WeakPolarHBondContact CB-OE1 3.39Å; R221-E239 WeakPolarHBondContact CG-OE1 3.33Å; R221-E239 IonicContact CZ-OE1 3.7Å; R221-E239 IonicContact CZ-OE2 2.77Å; R221-E239 IonicContact NE-OE1 3.32Å; R221-E239 PolarHBondContact NE-OE1 3.05Å; R221-E239 IonicContact NE-OE2 3.33Å; R221-E239 IonicContact NH2-OE1 2.92Å; R221-E239 PolarHBondContact NH2-OE1 3Å; R221-E239 IonicContact NH2-OE2 2.59Å; R221-E239 PolarHBondContact NH2-OE2 3.24Å
222	K	94.9	Very high	96.1	Very high	190 Å²	190	62.8 Å²	62.8	83%	0.826	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	137	168.2	-59.8	-173.7	-178.5	-176	0	110.3	A224	K222-A224 PolarHBondContact O-N 2.69Å
223	N	95.1	Very high	95.9	Very high	164 Å²	164	64.3 Å²	64.3	88%	0.877	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	46.2	178.3	-56.2	-25.9	0	0	0	113.5
224	A	96.4	Very high	95.8	Very high	26 Å²	26	67.9 Å²	67.9	22%	0.215	33%	0.332	C	S	.	.			trans	-64	137.3	177.8	0	0	0	0	0	111.6	I217 R221 K222 L229	I217-A224 HydrophobicContact CG2-CB 3.75Å; R221-A224 HydrophobicContact CB-CB 4.22Å; R221-A224 HydrophobicContact CG-CB 4.04Å; K222-A224 PolarHBondContact O-N 2.69Å; A224-L229 HydrophobicContact CB-CD1 4.26Å; A224-L229 HydrophobicContact CB-CD2 3.81Å; A224-L229 HydrophobicContact CB-CG 3.82Å
225	T	96.9	Very high	95.8	Very high	87 Å²	87	67.6 Å²	67.6	53%	0.534	33%	0.33	S	S	.	.			trans	-68	154.7	173	63.7	0	0	0	0	110.5	D227 A228 L229	T225-D227 PolarHBondContact O-N 2.92Å; T225-A228 PolarHBondContact O-N 2.98Å; T225-A228 VanDerWaalsContact O-N 3.12Å; T225-A228 WeakPolarHBondContact OG1-CB 3.39Å; T225-A228 PolarHBondContact OG1-N 3.4Å; T225-L229 WeakPolarHBondContact O-CG 3.24Å; T225-L229 PolarHBondContact O-N 2.9Å
226	Q	96.4	Very high	95.8	Very high	133 Å²	133	70.1 Å²	70.1	62%	0.621	34%	0.343	S	S	*	.	H	α-helix	trans	-58.4	-37.5	176	-169.9	63	10.2	0	0	111.7	L229 I230	Q226-L229 PolarHBondContact O-N 3.49Å; Q226-I230 HydrophobicContact CG-CD1 3.86Å; Q226-I230 WeakPolarHBondContact O-CB 3.21Å; Q226-I230 VanDerWaalsContact O-CG1 3.29Å; Q226-I230 WeakPolarHBondContact O-CG1 3.48Å; Q226-I230 PolarHBondContact O-N 2.86Å
227	D	94.9	Very high	95.8	Very high	100 Å²	100	70.7 Å²	70.7	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-48.3	174.6	-176.8	68.5	0	0	0	111.9	T225 L229 I230 N231	T225-D227 PolarHBondContact O-N 2.92Å; D227-L229 VanDerWaalsContact C-N 3.32Å; D227-L229 PolarHBondContact O-N 2.93Å; D227-I230 PolarHBondContact O-N 3.36Å; D227-N231 WeakPolarHBondContact O-CB 3.36Å; D227-N231 PolarHBondContact O-N 3.01Å; D227-N231 PolarHBondContact OD1-ND2 3.49Å
228	A	95.2	Very high	95.8	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-40.1	178.4	0	0	0	0	0	112.2	I217 T225 I230 G232	I217-A228 HydrophobicContact CD1-CB 4.12Å; I217-A228 HydrophobicContact CG2-CB 4.13Å; T225-A228 PolarHBondContact O-N 2.98Å; T225-A228 VanDerWaalsContact O-N 3.12Å; T225-A228 WeakPolarHBondContact OG1-CB 3.39Å; T225-A228 PolarHBondContact OG1-N 3.4Å; A228-I230 VanDerWaalsContact C-N 3.32Å; A228-I230 PolarHBondContact O-N 2.96Å; A228-G232 WeakPolarHBondContact O-CA 3.33Å; A228-G232 PolarHBondContact O-N 2.77Å
229	L	95.9	Very high	95.9	Very high	42 Å²	42	68.7 Å²	68.7	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-68.8	-28.7	179.2	-68.4	170.5	0	0	0	113.5	I217 R218 A224 T225 Q226 D227	I217-L229 HydrophobicContact CG2-CD2 4.13Å; R218-L229 HydrophobicContact CB-CD2 4.46Å; R218-L229 HydrophobicContact CG-CD2 3.55Å; R218-L229 PolarHBondContact NH2-O 3Å; A224-L229 HydrophobicContact CB-CD1 4.26Å; A224-L229 HydrophobicContact CB-CD2 3.81Å; A224-L229 HydrophobicContact CB-CG 3.82Å; T225-L229 WeakPolarHBondContact O-CG 3.24Å; T225-L229 PolarHBondContact O-N 2.9Å; Q226-L229 PolarHBondContact O-N 3.49Å; D227-L229 VanDerWaalsContact C-N 3.32Å; D227-L229 PolarHBondContact O-N 2.93Å
230	I	94.9	Very high	96	Very high	83 Å²	83	63.8 Å²	63.8	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-86.5	-47.4	177.7	-68.6	170.9	0	0	0	110.4	K210 T214 Q226 D227 A228	K210-I230 VanDerWaalsContact CD-O 3.28Å; K210-I230 WeakPolarHBondContact CD-O 3.16Å; K210-I230 WeakPolarHBondContact CE-O 3.17Å; K210-I230 PolarHBondContact NZ-O 2.9Å; T214-I230 WeakPolarHBondContact CG2-O 3.19Å; Q226-I230 HydrophobicContact CG-CD1 3.86Å; Q226-I230 WeakPolarHBondContact O-CB 3.21Å; Q226-I230 VanDerWaalsContact O-CG1 3.29Å; Q226-I230 WeakPolarHBondContact O-CG1 3.48Å; Q226-I230 PolarHBondContact O-N 2.86Å; D227-I230 PolarHBondContact O-N 3.36Å; A228-I230 VanDerWaalsContact C-N 3.32Å; A228-I230 PolarHBondContact O-N 2.96Å
231	N	93.9	Very high	96.1	Very high	57 Å²	57	62.2 Å²	62.2	31%	0.305	32%	0.317	S	S	.	.	H	α-helix	trans	-94.3	-37.2	-167.8	-72.1	-38.1	0	0	0	114	H209 K210 D227 A233	H209-N231 CarbonylContact C-O 3.56Å; H209-N231 WeakPolarHBondContact CB-O 3.46Å; K210-N231 PolarHBondContact NZ-OD1 3.49Å; D227-N231 WeakPolarHBondContact O-CB 3.36Å; D227-N231 PolarHBondContact O-N 3.01Å; D227-N231 PolarHBondContact OD1-ND2 3.49Å; N231-A233 PolarHBondContact O-N 3.26Å
232	G	94.7	Very high	96	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.			trans	65.3	18.7	177.2	0	0	0	0	0	114.9	H209 G213 A228	H209-G232 WeakPolarHBondContact CB-O 3.4Å; G213-G232 WeakPolarHBondContact CA-O 3.37Å; A228-G232 WeakPolarHBondContact O-CA 3.33Å; A228-G232 PolarHBondContact O-N 2.77Å
233	A	93.3	Very high	96.2	Very high	47 Å²	47	55.1 Å²	55.1	39%	0.388	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.6	-169.7	0	0	0	0	0	114.1	H209 N231	H209-A233 HydrophobicContact CB-CB 4.36Å; H209-A233 WeakPolarHBondContact ND1-CB 3.04Å; N231-A233 PolarHBondContact O-N 3.26Å
234	D	94.6	Very high	96.3	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	28.7	-172.4	72.1	-29.2	0	0	0	112.1	I217 R221 K236	I217-D234 VanDerWaalsContact CD1-OD1 3.22Å; I217-D234 WeakPolarHBondContact CD1-OD1 2.95Å; R221-D234 IonicContact CZ-OD1 3.5Å; R221-D234 IonicContact CZ-OD2 3.56Å; R221-D234 IonicContact NH1-OD1 3.36Å; R221-D234 PolarHBondContact NH1-OD1 3.47Å; R221-D234 IonicContact NH1-OD2 3.58Å; R221-D234 PolarHBondContact NH1-OD2 3.19Å; R221-D234 PolarHBondContact NH2-O 3.2Å; R221-D234 IonicContact NH2-OD1 2.76Å; R221-D234 IonicContact NH2-OD2 2.75Å; D234-K236 PolarHBondContact O-N 3.32Å
235	V	97	Very high	96.3	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	24%	0.243	C	C	.	.			trans	-53	130.1	175.2	177.9	0	0	0	0	109.7	Y196 F200 I216 I217 E239 F240	Y196-V235 PolarHBondContact OH-O 2.84Å; F200-V235 HydrophobicContact CB-CB 4.3Å; F200-V235 HydrophobicContact CD1-CB 3.96Å; F200-V235 HydrophobicContact CD1-CG1 4.45Å; F200-V235 HydrophobicContact CD1-CG2 3.77Å; F200-V235 HydrophobicContact CE1-CG2 4.1Å; F200-V235 HydrophobicContact CG-CB 4.19Å; F200-V235 HydrophobicContact CG-CG2 4.49Å; I216-V235 HydrophobicContact CB-CG1 4.43Å; I216-V235 HydrophobicContact CD1-CG1 4.3Å; I216-V235 HydrophobicContact CG2-CG1 3.77Å; I217-V235 HydrophobicContact CD1-CG2 4.14Å; I217-V235 HydrophobicContact CG1-CG2 4.12Å; V235-E239 HydrophobicContact CG1-CB 4.45Å; V235-F240 HydrophobicContact CG1-CB 4.25Å
236	K	96.8	Very high	96.2	Very high	129 Å²	129	45 Å²	45	56%	0.561	23%	0.227	S	C	*	.			trans	-85.4	149.5	175.9	-61.3	177.1	-179.7	177.8	0	110.4	D234 K238 E239 F240	D234-K236 PolarHBondContact O-N 3.32Å; K236-K238 VanDerWaalsContact C-N 3.26Å; K236-K238 PolarHBondContact O-N 3.28Å; K236-E239 HydrophobicContact CB-CG 4.07Å; K236-E239 PolarHBondContact N-OE2 2.67Å; K236-E239 WeakPolarHBondContact O-CB 3.41Å; K236-E239 PolarHBondContact O-N 3.23Å; K236-F240 PolarHBondContact O-N 3.06Å
237	F	97.8	Very high	96.1	Very high	13 Å²	13	42.4 Å²	42.4	6%	0.057	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-39.6	179.5	-174.9	-111.6	0	0	0	112.4	V193 Y196 E239 F240 I241 F318 F319 I322	V193-F237 HydrophobicContact CG2-CE2 3.99Å; V193-F237 HydrophobicContact CG2-CZ 3.82Å; Y196-F237 HydrophobicContact CD1-CB 4.46Å; Y196-F237 AromaticContact CD1-CD2 3.76Å; Y196-F237 HydrophobicContact CD1-CD2 3.76Å; Y196-F237 AromaticContact CD2-CD2 3.86Å; Y196-F237 HydrophobicContact CD2-CD2 3.86Å; Y196-F237 HydrophobicContact CE1-CB 4.03Å; Y196-F237 HydrophobicContact CE1-CD2 4.19Å; Y196-F237 HydrophobicContact CE2-CB 4.09Å; Y196-F237 HydrophobicContact CE2-CD2 4.25Å; Y196-F237 AromaticContact CG-CD2 3.59Å; Y196-F237 HydrophobicContact CG-CD2 3.59Å; Y196-F237 HydrophobicContact CG-CE2 4.25Å; Y196-F237 PolarHBondContact OH-N 3.36Å; F237-E239 PolarHBondContact O-N 3.37Å; F237-F240 HydrophobicContact CD2-CD1 4.17Å; F237-F240 HydrophobicContact CE2-CD1 4.17Å; F237-F240 WeakPolarHBondContact O-CB 3.33Å; F237-F240 PolarHBondContact O-N 3.5Å; F237-F240 VanDerWaalsContact O-N 3.15Å; F237-I241 HydrophobicContact CD1-CG1 4.11Å; F237-I241 HydrophobicContact CE1-CD1 4Å; F237-I241 HydrophobicContact CE1-CG1 3.73Å; F237-I241 HydrophobicContact CE2-CD1 3.95Å; F237-I241 HydrophobicContact CE2-CG1 4.32Å; F237-I241 HydrophobicContact CZ-CD1 3.59Å; F237-I241 HydrophobicContact CZ-CG1 3.86Å; F237-I241 WeakPolarHBondContact O-CG1 3.47Å; F237-I241 PolarHBondContact O-N 2.97Å; F237-F318 HydrophobicContact CB-CD1 3.74Å; F237-F318 HydrophobicContact CB-CE1 4.23Å; F237-F318 HydrophobicContact CD1-CB 3.78Å; F237-F318 AromaticContact CD1-CD1 3.9Å; F237-F318 HydrophobicContact CD1-CD1 3.9Å; F237-F318 HydrophobicContact CD1-CG 4.3Å; F237-F318 VanDerWaalsContact CD1-O 3.3Å; F237-F318 WeakPolarHBondContact CD1-O 3.46Å; F237-F318 AromaticContact CD2-CD1 3.98Å; F237-F318 HydrophobicContact CD2-CD1 3.98Å; F237-F318 HydrophobicContact CE1-CB 3.71Å; F237-F318 HydrophobicContact CG-CB 4.3Å; F237-F318 AromaticContact CG-CD1 3.59Å; F237-F318 HydrophobicContact CG-CD1 3.59Å; F237-F318 HydrophobicContact CG-CE1 4.4Å; F237-F318 HydrophobicContact CG-CG 4.34Å; F237-F318 HydrophobicContact CZ-CB 4.17Å; F237-F319 HydrophobicContact CE1-CD2 4.13Å; F237-F319 HydrophobicContact CE1-CE2 4.06Å; F237-F319 HydrophobicContact CZ-CD2 4.37Å; F237-F319 AromaticContact CZ-CE2 3.89Å; F237-F319 HydrophobicContact CZ-CE2 3.89Å; F237-F319 HydrophobicContact CZ-CZ 4.36Å; F237-I322 HydrophobicContact CD1-CD1 4.01Å; F237-I322 HydrophobicContact CD1-CG1 4.27Å; F237-I322 HydrophobicContact CE1-CD1 4.33Å; F237-I322 HydrophobicContact CE1-CG1 4.2Å
238	K	97.4	Very high	96	Very high	105 Å²	105	38.7 Å²	38.7	46%	0.457	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-43.3	174.8	-175.3	176.4	178.8	174.8	0	113	K236 F240 I241 E242 I322	K236-K238 VanDerWaalsContact C-N 3.26Å; K236-K238 PolarHBondContact O-N 3.28Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 2.61Å; K238-I241 PolarHBondContact O-N 3.45Å; K238-E242 WeakPolarHBondContact O-CB 3.37Å; K238-E242 PolarHBondContact O-N 3.34Å; K238-I322 HydrophobicContact CB-CD1 3.85Å; K238-I322 HydrophobicContact CG-CD1 4.07Å
239	E	97.8	Very high	96	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-35.8	177.5	-60.4	165	163.4	0	0	110.8	I216 R221 V235 K236 F237 Y243	I216-E239 HydrophobicContact CG2-CB 3.72Å; R221-E239 WeakPolarHBondContact CB-OE1 3.39Å; R221-E239 WeakPolarHBondContact CG-OE1 3.33Å; R221-E239 IonicContact CZ-OE1 3.7Å; R221-E239 IonicContact CZ-OE2 2.77Å; R221-E239 IonicContact NE-OE1 3.32Å; R221-E239 PolarHBondContact NE-OE1 3.05Å; R221-E239 IonicContact NE-OE2 3.33Å; R221-E239 IonicContact NH2-OE1 2.92Å; R221-E239 PolarHBondContact NH2-OE1 3Å; R221-E239 IonicContact NH2-OE2 2.59Å; R221-E239 PolarHBondContact NH2-OE2 3.24Å; V235-E239 HydrophobicContact CG1-CB 4.45Å; K236-E239 HydrophobicContact CB-CG 4.07Å; K236-E239 PolarHBondContact N-OE2 2.67Å; K236-E239 WeakPolarHBondContact O-CB 3.41Å; K236-E239 PolarHBondContact O-N 3.23Å; F237-E239 PolarHBondContact O-N 3.37Å; E239-Y243 WeakPolarHBondContact O-CB 3.34Å; E239-Y243 PolarHBondContact O-N 3.2Å
240	F	98.1	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-42.2	173.4	176.5	-120.3	0	0	0	112.3	L192 Y196 F200 I216 V235 K236 F237 K238 Y243 L244 W259	L192-F240 HydrophobicContact CD1-CE1 3.58Å; L192-F240 HydrophobicContact CD1-CZ 3.88Å; L192-F240 HydrophobicContact CG-CE1 4.15Å; Y196-F240 HydrophobicContact CD2-CB 3.92Å; Y196-F240 AromaticContact CD2-CD1 3.72Å; Y196-F240 HydrophobicContact CD2-CD1 3.72Å; Y196-F240 HydrophobicContact CD2-CE1 4.45Å; Y196-F240 AromaticContact CD2-CG 3.93Å; Y196-F240 HydrophobicContact CD2-CG 3.93Å; Y196-F240 HydrophobicContact CE2-CB 4.19Å; Y196-F240 HydrophobicContact CG-CD1 4.2Å; F200-F240 HydrophobicContact CD2-CD2 4.45Å; F200-F240 AromaticContact CE2-CD2 3.71Å; F200-F240 HydrophobicContact CE2-CD2 3.71Å; F200-F240 AromaticContact CE2-CE2 3.79Å; F200-F240 HydrophobicContact CE2-CE2 3.79Å; F200-F240 HydrophobicContact CE2-CG 4.33Å; F200-F240 HydrophobicContact CE2-CZ 4.45Å; F200-F240 HydrophobicContact CZ-CD2 4.35Å; F200-F240 HydrophobicContact CZ-CE2 4.5Å; I216-F240 HydrophobicContact CD1-CD2 4.15Å; V235-F240 HydrophobicContact CG1-CB 4.25Å; K236-F240 PolarHBondContact O-N 3.06Å; F237-F240 HydrophobicContact CD2-CD1 4.17Å; F237-F240 HydrophobicContact CE2-CD1 4.17Å; F237-F240 WeakPolarHBondContact O-CB 3.33Å; F237-F240 PolarHBondContact O-N 3.5Å; F237-F240 VanDerWaalsContact O-N 3.15Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 2.61Å; F240-Y243 HydrophobicContact CD2-CD1 4.31Å; F240-Y243 HydrophobicContact CE2-CD1 4.45Å; F240-Y243 WeakPolarHBondContact O-CB 3.35Å; F240-Y243 PolarHBondContact O-N 2.75Å; F240-L244 HydrophobicContact CD1-CD1 4.34Å; F240-L244 HydrophobicContact CE1-CD1 3.86Å; F240-L244 HydrophobicContact CE2-CD1 4.15Å; F240-L244 HydrophobicContact CE2-CD2 4.13Å; F240-L244 HydrophobicContact CE2-CG 4.19Å; F240-L244 HydrophobicContact CZ-CD1 3.76Å; F240-L244 HydrophobicContact CZ-CD2 4.32Å; F240-L244 HydrophobicContact CZ-CG 4.29Å; F240-L244 WeakPolarHBondContact O-CG 3.28Å; F240-L244 PolarHBondContact O-N 3.19Å; F240-W259 AromaticContact CE2-CD2 3.95Å; F240-W259 HydrophobicContact CE2-CD2 3.95Å; F240-W259 HydrophobicContact CE2-CE3 4.03Å; F240-W259 HydrophobicContact CE2-CG 4.29Å; F240-W259 HydrophobicContact CE2-CZ3 4.45Å; F240-W259 HydrophobicContact CZ-CB 4Å; F240-W259 AromaticContact CZ-CD2 3.98Å; F240-W259 HydrophobicContact CZ-CD2 3.98Å; F240-W259 HydrophobicContact CZ-CE3 4.01Å; F240-W259 HydrophobicContact CZ-CG 4.02Å
241	I	98	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-45.3	174.3	-64.9	-47.2	0	0	0	110.9	L192 F237 K238 Y243 L244 V245 I322 Q326 L330	L192-I241 HydrophobicContact CD2-CD1 3.81Å; F237-I241 HydrophobicContact CD1-CG1 4.11Å; F237-I241 HydrophobicContact CE1-CD1 4Å; F237-I241 HydrophobicContact CE1-CG1 3.73Å; F237-I241 HydrophobicContact CE2-CD1 3.95Å; F237-I241 HydrophobicContact CE2-CG1 4.32Å; F237-I241 HydrophobicContact CZ-CD1 3.59Å; F237-I241 HydrophobicContact CZ-CG1 3.86Å; F237-I241 WeakPolarHBondContact O-CG1 3.47Å; F237-I241 PolarHBondContact O-N 2.97Å; K238-I241 PolarHBondContact O-N 3.45Å; I241-Y243 VanDerWaalsContact C-N 3.28Å; I241-Y243 PolarHBondContact O-N 3.01Å; I241-L244 HydrophobicContact CD1-CD1 4.34Å; I241-L244 PolarHBondContact O-N 3.35Å; I241-V245 HydrophobicContact CG2-CG1 4.44Å; I241-V245 WeakPolarHBondContact O-CG2 3.34Å; I241-V245 PolarHBondContact O-N 3.05Å; I241-V245 VanDerWaalsContact O-N 3.1Å; I241-I322 HydrophobicContact CB-CD1 4.4Å; I241-I322 HydrophobicContact CG1-CD1 4.11Å; I241-I322 HydrophobicContact CG2-CG2 4.16Å; I241-Q326 HydrophobicContact CG2-CB 4.15Å; I241-L330 HydrophobicContact CD1-CD1 4.2Å; I241-L330 HydrophobicContact CD1-CD2 3.67Å; I241-L330 HydrophobicContact CG1-CD2 4.47Å; I241-L330 HydrophobicContact CG2-CD2 4.32Å
242	E	97.1	Very high	95.2	Very high	70 Å²	70	47 Å²	47	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-57	-43.4	177.2	-162.9	169.6	167.2	0	0	111.5	Y220 K238 L244 V245 D246	Y220-E242 HydrophobicContact CD1-CB 4.19Å; Y220-E242 HydrophobicContact CD1-CG 3.55Å; Y220-E242 WeakPolarHBondContact CD1-OE1 3.29Å; Y220-E242 HydrophobicContact CE1-CG 3.91Å; Y220-E242 HydrophobicContact CG-CB 4.28Å; Y220-E242 HydrophobicContact CG-CG 4.1Å; K238-E242 WeakPolarHBondContact O-CB 3.37Å; K238-E242 PolarHBondContact O-N 3.34Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.58Å; E242-V245 PolarHBondContact O-N 2.94Å; E242-D246 VanDerWaalsContact O-CB 3.29Å; E242-D246 WeakPolarHBondContact O-CB 3.47Å; E242-D246 PolarHBondContact O-N 2.59Å
243	Y	97.4	Very high	95	Very high	8 Å²	8	48.2 Å²	48.2	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-41	172.2	168.1	-103.7	0	0	0	113.8	I216 Y220 E239 F240 I241 T249 W259	I216-Y243 HydrophobicContact CD1-CD1 4.04Å; I216-Y243 HydrophobicContact CD1-CG 4.04Å; I216-Y243 HydrophobicContact CG1-CD1 4.19Å; I216-Y243 HydrophobicContact CG1-CD2 3.83Å; I216-Y243 HydrophobicContact CG1-CE2 4.41Å; I216-Y243 HydrophobicContact CG1-CG 3.69Å; Y220-Y243 HydrophobicContact CE2-CD2 4.14Å; Y220-Y243 HydrophobicContact CE2-CG 4.39Å; E239-Y243 WeakPolarHBondContact O-CB 3.34Å; E239-Y243 PolarHBondContact O-N 3.2Å; F240-Y243 HydrophobicContact CD2-CD1 4.31Å; F240-Y243 HydrophobicContact CE2-CD1 4.45Å; F240-Y243 WeakPolarHBondContact O-CB 3.35Å; F240-Y243 PolarHBondContact O-N 2.75Å; I241-Y243 VanDerWaalsContact C-N 3.28Å; I241-Y243 PolarHBondContact O-N 3.01Å; Y243-T249 HydrophobicContact CD1-CG2 4.43Å; Y243-T249 HydrophobicContact CD2-CG2 3.87Å; Y243-T249 WeakPolarHBondContact CD2-OG1 3.49Å; Y243-T249 HydrophobicContact CE1-CG2 3.98Å; Y243-T249 HydrophobicContact CE2-CG2 3.37Å; Y243-T249 HydrophobicContact CG-CG2 4.38Å; Y243-T249 VanDerWaalsContact CZ-CG2 3.42Å; Y243-T249 WeakPolarHBondContact O-CB 3.11Å; Y243-T249 VanDerWaalsContact O-CG2 3.32Å; Y243-T249 WeakPolarHBondContact O-CG2 3.48Å; Y243-T249 PolarHBondContact O-OG1 3.46Å; Y243-W259 HydrophobicContact CE1-CZ2 4.07Å; Y243-W259 AromaticContact CE1-NE1 3.97Å
244	L	97.4	Very high	94.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-73.7	-38.7	-176.4	-66.3	174.9	0	0	0	113.2	L192 F240 I241 E242 Q250 L255 W259 L330 L333	L192-L244 HydrophobicContact CD1-CD1 3.74Å; L192-L244 HydrophobicContact CD2-CD1 4.14Å; F240-L244 HydrophobicContact CD1-CD1 4.34Å; F240-L244 HydrophobicContact CE1-CD1 3.86Å; F240-L244 HydrophobicContact CE2-CD1 4.15Å; F240-L244 HydrophobicContact CE2-CD2 4.13Å; F240-L244 HydrophobicContact CE2-CG 4.19Å; F240-L244 HydrophobicContact CZ-CD1 3.76Å; F240-L244 HydrophobicContact CZ-CD2 4.32Å; F240-L244 HydrophobicContact CZ-CG 4.29Å; F240-L244 WeakPolarHBondContact O-CG 3.28Å; F240-L244 PolarHBondContact O-N 3.19Å; I241-L244 HydrophobicContact CD1-CD1 4.34Å; I241-L244 PolarHBondContact O-N 3.35Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.58Å; L244-Q250 PolarHBondContact O-NE2 3.35Å; L244-L255 HydrophobicContact CD2-CD1 4.3Å; L244-L255 HydrophobicContact CD2-CD2 3.96Å; L244-W259 HydrophobicContact CD2-CB 4.36Å; L244-W259 HydrophobicContact CD2-CG 3.84Å; L244-L330 HydrophobicContact CB-CD1 4.32Å; L244-L330 HydrophobicContact CD1-CD1 4.15Å; L244-L333 HydrophobicContact CB-CD2 4.25Å
245	V	96.3	Very high	95	Very high	22 Å²	22	48.7 Å²	48.7	13%	0.133	25%	0.25	C	C	.	.	H	α-helix	trans	-86.7	-12.9	-177	-56.4	0	0	0	0	112.8	I241 E242 P247 Q329 L330	I241-V245 HydrophobicContact CG2-CG1 4.44Å; I241-V245 WeakPolarHBondContact O-CG2 3.34Å; I241-V245 PolarHBondContact O-N 3.05Å; I241-V245 VanDerWaalsContact O-N 3.1Å; E242-V245 PolarHBondContact O-N 2.94Å; V245-P247 VanDerWaalsContact O-CD 3.29Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å; V245-Q329 HydrophobicContact CB-CB 3.83Å; V245-Q329 HydrophobicContact CG1-CB 3.77Å; V245-L330 HydrophobicContact CG1-CB 3.99Å; V245-L330 HydrophobicContact CG1-CD1 4.1Å
246	D	96	Very high	95	Very high	40 Å²	40	49.7 Å²	49.7	21%	0.214	26%	0.255	C	S	.	.			trans	-64.4	118.7	174.9	-176	-9.4	0	0	0	111.2	Y220 E242 A248 T249	Y220-D246 HydrophobicContact CE1-CB 4.37Å; Y220-D246 WeakPolarHBondContact CE1-OD2 3.25Å; Y220-D246 WeakPolarHBondContact OH-CB 3.15Å; Y220-D246 PolarHBondContact OH-OD2 3.42Å; E242-D246 VanDerWaalsContact O-CB 3.29Å; E242-D246 WeakPolarHBondContact O-CB 3.47Å; E242-D246 PolarHBondContact O-N 2.59Å; D246-A248 PolarHBondContact O-N 2.77Å; D246-A248 VanDerWaalsContact O-N 3.15Å; D246-A248 VanDerWaalsContact OD1-CB 3.25Å; D246-A248 WeakPolarHBondContact OD1-CB 3.36Å; D246-A248 PolarHBondContact OD1-N 3.06Å; D246-T249 WeakPolarHBondContact O-CB 3.46Å; D246-T249 PolarHBondContact O-N 2.97Å
247	P	93.5	Very high	95	Very high	79 Å²	79	46.6 Å²	46.6	51%	0.513	24%	0.242	S	C	.	.	H	α-helix	trans	-56.8	-28.3	175.7	-25.9	36.2	0	0	0	113.9	V245 T249 Q250 R251	V245-P247 VanDerWaalsContact O-CD 3.29Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å; P247-T249 VanDerWaalsContact C-N 3.32Å; P247-Q250 PolarHBondContact O-N 2.79Å; P247-R251 WeakPolarHBondContact O-CG 3.17Å; P247-R251 PolarHBondContact O-N 2.78Å; P247-R251 VanDerWaalsContact O-N 3.1Å
248	A	93.8	Very high	94.9	Very high	22 Å²	22	47 Å²	47	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-39.2	175.6	0	0	0	0	0	111.7	D246 Q250 R251 D252	D246-A248 PolarHBondContact O-N 2.77Å; D246-A248 VanDerWaalsContact O-N 3.15Å; D246-A248 VanDerWaalsContact OD1-CB 3.25Å; D246-A248 WeakPolarHBondContact OD1-CB 3.36Å; D246-A248 PolarHBondContact OD1-N 3.06Å; A248-Q250 VanDerWaalsContact C-N 3.3Å; A248-Q250 PolarHBondContact O-N 3.15Å; A248-R251 PolarHBondContact O-N 3.27Å; A248-D252 PolarHBondContact O-N 2.75Å
249	T	93.8	Very high	95	Very high	3 Å²	3	42 Å²	42	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-41	176.4	-62.9	0	0	0	0	111.7	Y243 D246 P247 R251 D252 L255	Y243-T249 HydrophobicContact CD1-CG2 4.43Å; Y243-T249 HydrophobicContact CD2-CG2 3.87Å; Y243-T249 WeakPolarHBondContact CD2-OG1 3.49Å; Y243-T249 HydrophobicContact CE1-CG2 3.98Å; Y243-T249 HydrophobicContact CE2-CG2 3.37Å; Y243-T249 HydrophobicContact CG-CG2 4.38Å; Y243-T249 VanDerWaalsContact CZ-CG2 3.42Å; Y243-T249 WeakPolarHBondContact O-CB 3.11Å; Y243-T249 VanDerWaalsContact O-CG2 3.32Å; Y243-T249 WeakPolarHBondContact O-CG2 3.48Å; Y243-T249 PolarHBondContact O-OG1 3.46Å; D246-T249 WeakPolarHBondContact O-CB 3.46Å; D246-T249 PolarHBondContact O-N 2.97Å; P247-T249 VanDerWaalsContact C-N 3.32Å; T249-R251 VanDerWaalsContact C-N 3.33Å; T249-D252 PolarHBondContact O-N 2.69Å; T249-L255 HydrophobicContact CG2-CD2 3.93Å
250	Q	86.5	Confident	95	Very high	78 Å²	78	42.3 Å²	42.3	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-70.1	-30.9	178.5	-59	-66.3	-23.1	0	0	112.2	L244 P247 A248	L244-Q250 PolarHBondContact O-NE2 3.35Å; P247-Q250 PolarHBondContact O-N 2.79Å; A248-Q250 VanDerWaalsContact C-N 3.3Å; A248-Q250 PolarHBondContact O-N 3.15Å
251	R	91.6	Very high	94.9	Very high	186 Å²	186	42.6 Å²	42.6	70%	0.702	23%	0.226	S	C	*	.	H	α-helix	trans	-70.3	-32.9	172.9	-72	-171.3	-62.6	-91.2	4.1	112.7	P247 A248 T249 G253	P247-R251 WeakPolarHBondContact O-CG 3.17Å; P247-R251 PolarHBondContact O-N 2.78Å; P247-R251 VanDerWaalsContact O-N 3.1Å; A248-R251 PolarHBondContact O-N 3.27Å; T249-R251 VanDerWaalsContact C-N 3.33Å; R251-G253 PolarHBondContact O-N 3.17Å
252	D	91	Very high	95	Very high	90 Å²	90	42.7 Å²	42.7	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.5	179.3	-66.4	-34.9	0	0	0	112.8	R215 R219 A248 T249	R215-D252 IonicContact CZ-OD2 3.46Å; R215-D252 IonicContact NH2-OD2 3.54Å; R215-D252 PolarHBondContact NH2-OD2 3.44Å; R219-D252 IonicContact CZ-OD2 3.81Å; R219-D252 IonicContact NH1-OD2 3.47Å; R219-D252 PolarHBondContact NH1-OD2 2.94Å; R219-D252 IonicContact NH2-OD2 2.75Å; R219-D252 PolarHBondContact NH2-OD2 2.97Å; A248-D252 PolarHBondContact O-N 2.75Å; T249-D252 PolarHBondContact O-N 2.69Å
253	G	90.1	Very high	94.9	Very high	25 Å²	25	41.7 Å²	41.7	26%	0.258	22%	0.22	S	C	.	.			trans	138.2	-176	175.2	0	0	0	0	0	113.3	R251	R251-G253 PolarHBondContact O-N 3.17Å
254	P	91.3	Very high	94.8	Very high	121 Å²	121	45.1 Å²	45.1	79%	0.786	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-64	143	179.5	27.3	-34.2	0	0	0	111.4
255	L	95.8	Very high	94.8	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.058	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57	151	171	-65.6	178.2	0	0	0	111.5	L244 T249 Q260 L333	L244-L255 HydrophobicContact CD2-CD1 4.3Å; L244-L255 HydrophobicContact CD2-CD2 3.96Å; T249-L255 HydrophobicContact CG2-CD2 3.93Å; L255-Q260 HydrophobicContact CB-CB 4.47Å; L255-L333 HydrophobicContact CD1-CD1 4.38Å; L255-L333 HydrophobicContact CD1-CD2 4.09Å
256	N	97.1	Very high	94.9	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.139	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-61.8	143.9	173.7	-177.2	-88.4	0	0	0	110.4	F212 H258 W259 Q260	F212-N256 HydrophobicContact CE1-CB 4.38Å; F212-N256 HydrophobicContact CZ-CB 3.95Å; N256-H258 PolarHBondContact O-N 3.47Å; N256-H258 WeakPolarHBondContact OD1-CB 3.25Å; N256-H258 PolarHBondContact OD1-CD2 2.75Å; N256-H258 PolarHBondContact OD1-N 3.26Å; N256-W259 HydrophobicContact CB-CD2 3.92Å; N256-W259 VanDerWaalsContact CB-CE2 3.4Å; N256-W259 HydrophobicContact CB-CE3 4.2Å; N256-W259 HydrophobicContact CB-CH2 3.57Å; N256-W259 HydrophobicContact CB-CZ2 3.24Å; N256-W259 HydrophobicContact CB-CZ3 4.04Å; N256-W259 CarbonylContact O-C 3.59Å; N256-W259 PolarHBondContact O-N 3.36Å; N256-Q260 WeakPolarHBondContact O-CB 3.33Å; N256-Q260 PolarHBondContact O-N 3.26Å
257	E	96.8	Very high	95	Very high	63 Å²	63	43.4 Å²	43.4	29%	0.294	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.4	-178.7	60.6	175.8	152.6	0	0	114.8	H109 P124 R191 W259 L265	H109-E257 IonicContact CE1-OE2 3.89Å; H109-E257 PolarHBondContact CE1-OE2 3.33Å; P124-E257 HydrophobicContact CG-CB 4.21Å; P124-E257 HydrophobicContact CG-CG 4.14Å; R191-E257 PolarHBondContact NH2-O 3.45Å; R191-E257 VanDerWaalsContact NH2-O 3.16Å; E257-W259 PolarHBondContact O-N 3.16Å; E257-L265 HydrophobicContact CB-CD2 4.15Å
258	H	97.4	Very high	95.1	Very high	21 Å²	21	40.1 Å²	40.1	10%	0.097	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.5	-178.8	-67.1	-54.4	0	0	0	113.5	P124 R191 A195 K199 F208 N256	P124-H258 VanDerWaalsContact CB-ND1 3.3Å; P124-H258 WeakPolarHBondContact CB-ND1 3.17Å; R191-H258 PolarHBondContact NH1-O 3.04Å; R191-H258 PolarHBondContact NH2-O 3.45Å; A195-H258 HydrophobicContact CB-CB 4.3Å; A195-H258 WeakPolarHBondContact CB-O 3.45Å; K199-H258 WeakPolarHBondContact CE-CD2 3.43Å; K199-H258 WeakPolarHBondContact CE-NE2 3.33Å; K199-H258 PolarHBondContact NZ-NE2 3.45Å; F208-H258 AromaticContact CE1-CD2 3.65Å; F208-H258 AromaticContact CZ-CD2 3.43Å; F208-H258 VanDerWaalsContact CZ-CD2 3.43Å; F208-H258 WeakPolarHBondContact CZ-CD2 3.29Å; F208-H258 AromaticContact CZ-NE2 3.59Å; N256-H258 PolarHBondContact O-N 3.47Å; N256-H258 WeakPolarHBondContact OD1-CB 3.25Å; N256-H258 PolarHBondContact OD1-CD2 2.75Å; N256-H258 PolarHBondContact OD1-N 3.26Å
259	W	97.8	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	13.9	177.2	55.8	80.7	0	0	0	112.7	L192 F200 F208 F212 F240 Y243 L244 N256 E257 Y334	L192-W259 HydrophobicContact CD1-CB 3.8Å; F200-W259 HydrophobicContact CE2-CZ3 4.33Å; F200-W259 HydrophobicContact CZ-CH2 4.42Å; F200-W259 HydrophobicContact CZ-CZ3 4.45Å; F208-W259 HydrophobicContact CD1-CH2 4.47Å; F208-W259 HydrophobicContact CD1-CZ3 4.38Å; F208-W259 HydrophobicContact CE1-CH2 4.37Å; F208-W259 HydrophobicContact CE1-CZ3 4.19Å; F212-W259 HydrophobicContact CB-CH2 4.39Å; F212-W259 AromaticContact CD1-CH2 3.84Å; F212-W259 HydrophobicContact CD1-CH2 3.84Å; F212-W259 AromaticContact CD1-CZ2 3.74Å; F212-W259 HydrophobicContact CD1-CZ2 3.74Å; F212-W259 AromaticContact CD2-CH2 3.82Å; F212-W259 HydrophobicContact CD2-CH2 3.82Å; F212-W259 AromaticContact CE1-CH2 3.99Å; F212-W259 HydrophobicContact CE1-CH2 3.99Å; F212-W259 AromaticContact CE1-CZ2 3.73Å; F212-W259 HydrophobicContact CE1-CZ2 3.73Å; F212-W259 AromaticContact CE2-CH2 3.96Å; F212-W259 HydrophobicContact CE2-CH2 3.96Å; F212-W259 HydrophobicContact CE2-CZ2 4.49Å; F212-W259 AromaticContact CG-CH2 3.75Å; F212-W259 HydrophobicContact CG-CH2 3.75Å; F212-W259 HydrophobicContact CG-CZ2 4.14Å; F212-W259 HydrophobicContact CZ-CH2 4.05Å; F212-W259 HydrophobicContact CZ-CZ2 4.13Å; F240-W259 AromaticContact CE2-CD2 3.95Å; F240-W259 HydrophobicContact CE2-CD2 3.95Å; F240-W259 HydrophobicContact CE2-CE3 4.03Å; F240-W259 HydrophobicContact CE2-CG 4.29Å; F240-W259 HydrophobicContact CE2-CZ3 4.45Å; F240-W259 HydrophobicContact CZ-CB 4Å; F240-W259 AromaticContact CZ-CD2 3.98Å; F240-W259 HydrophobicContact CZ-CD2 3.98Å; F240-W259 HydrophobicContact CZ-CE3 4.01Å; F240-W259 HydrophobicContact CZ-CG 4.02Å; Y243-W259 HydrophobicContact CE1-CZ2 4.07Å; Y243-W259 AromaticContact CE1-NE1 3.97Å; L244-W259 HydrophobicContact CD2-CB 4.36Å; L244-W259 HydrophobicContact CD2-CG 3.84Å; N256-W259 HydrophobicContact CB-CD2 3.92Å; N256-W259 VanDerWaalsContact CB-CE2 3.4Å; N256-W259 HydrophobicContact CB-CE3 4.2Å; N256-W259 HydrophobicContact CB-CH2 3.57Å; N256-W259 HydrophobicContact CB-CZ2 3.24Å; N256-W259 HydrophobicContact CB-CZ3 4.04Å; N256-W259 CarbonylContact O-C 3.59Å; N256-W259 PolarHBondContact O-N 3.36Å; E257-W259 PolarHBondContact O-N 3.16Å; W259-Y334 PolarHBondContact O-OH 3.48Å
260	Q	97.7	Very high	95.1	Very high	23 Å²	23	45.3 Å²	45.3	11%	0.107	23%	0.229	C	C	.	.	S	Bend	trans	-72.5	154.9	168.3	-175.9	55	-86.9	0	0	110.6	R191 L255 N256 Q264 L265	R191-Q260 PolarHBondContact NH2-O 2.89Å; L255-Q260 HydrophobicContact CB-CB 4.47Å; N256-Q260 WeakPolarHBondContact O-CB 3.33Å; N256-Q260 PolarHBondContact O-N 3.26Å; Q260-Q264 HydrophobicContact CG-CB 3.73Å; Q260-L265 HydrophobicContact CB-CD1 4.26Å; Q260-L265 HydrophobicContact CB-CD2 3.82Å; Q260-L265 HydrophobicContact CB-CG 3.94Å; Q260-L265 HydrophobicContact CG-CD2 3.68Å; Q260-L265 HydrophobicContact CG-CG 3.78Å
261	T	97.8	Very high	95.6	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.037	21%	0.213	C	C	.	.			trans	-71.2	150.7	175.4	65.1	0	0	0	0	111.3	Y263 Q264 L265 L333 Y334 D337	T261-Y263 PolarHBondContact O-N 3.02Å; T261-Q264 PolarHBondContact O-N 3.16Å; T261-Q264 VanDerWaalsContact O-N 3.14Å; T261-Q264 WeakPolarHBondContact OG1-CB 3.4Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.26Å; T261-Q264 PolarHBondContact OG1-N 3.44Å; T261-Q264 VanDerWaalsContact OG1-N 3.13Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.21Å; T261-L333 WeakPolarHBondContact CG2-O 3.2Å; T261-Y334 HydrophobicContact CG2-CD1 3.7Å; T261-Y334 HydrophobicContact CG2-CE1 3.95Å; T261-Y334 HydrophobicContact CG2-CG 4.37Å; T261-D337 WeakPolarHBondContact CA-OD2 3.42Å; T261-D337 WeakPolarHBondContact CB-OD2 3.37Å
262	V	98.3	Very high	95.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-39.5	172	-180	0	0	0	0	110.1	V123 L183 V185 Q264 L265 C266 D337 F341	V123-V262 HydrophobicContact CG1-CG2 3.77Å; V123-V262 HydrophobicContact CG2-CG1 4.01Å; V123-V262 HydrophobicContact CG2-CG2 4.25Å; L183-V262 HydrophobicContact CD1-CG1 3.57Å; V185-V262 HydrophobicContact CG1-CG1 3.88Å; V185-V262 HydrophobicContact CG1-CG2 4.37Å; V262-Q264 PolarHBondContact O-N 2.93Å; V262-L265 PolarHBondContact O-N 3.38Å; V262-L265 VanDerWaalsContact O-N 3.13Å; V262-C266 HydrophobicContact CG1-CB 4.38Å; V262-C266 PolarHBondContact O-N 2.79Å; V262-D337 PolarHBondContact N-OD1 3.17Å; V262-D337 PolarHBondContact N-OD2 3.1Å; V262-F341 HydrophobicContact CB-CE2 3.73Å; V262-F341 HydrophobicContact CB-CZ 4.25Å; V262-F341 HydrophobicContact CG1-CE2 3.64Å; V262-F341 HydrophobicContact CG1-CZ 3.62Å; V262-F341 HydrophobicContact CG2-CE2 4.48Å
263	Y	96.7	Very high	96.1	Very high	48 Å²	48	33.7 Å²	33.7	19%	0.188	18%	0.179	C	C	.	.	H	α-helix	trans	-50.4	-43.5	173.4	176.6	-107	0	0	0	112.9	N92 T261 H267 P268 M336 D337 M340	N92-Y263 PolarHBondContact ND2-OH 3.23Å; T261-Y263 PolarHBondContact O-N 3.02Å; Y263-H267 WeakPolarHBondContact O-CA 3.35Å; Y263-H267 PolarHBondContact O-N 3.3Å; Y263-P268 HydrophobicContact CD2-CG 4.41Å; Y263-M336 HydrophobicContact CD1-CB 4.31Å; Y263-M336 HydrophobicContact CD1-CG 4.45Å; Y263-M336 HydrophobicContact CD2-CB 4.34Å; Y263-M336 HydrophobicContact CE2-CE 4.49Å; Y263-M336 HydrophobicContact CG-CB 3.99Å; Y263-D337 WeakPolarHBondContact CB-OD1 3.48Å; Y263-D337 PolarHBondContact N-OD1 3.41Å; Y263-M340 HydrophobicContact CD2-CE 3.64Å; Y263-M340 HydrophobicContact CD2-SD 4.32Å; Y263-M340 HydrophobicContact CE2-CE 4.02Å
264	Q	95.3	Very high	96.5	Very high	81 Å²	81	32.6 Å²	32.6	38%	0.379	17%	0.168	S	C	.	.	H	α-helix	trans	-83.1	-24.5	179.1	-69.6	-66.4	-18.5	0	0	113.9	Q260 T261 V262 H267	Q260-Q264 HydrophobicContact CG-CB 3.73Å; T261-Q264 PolarHBondContact O-N 3.16Å; T261-Q264 VanDerWaalsContact O-N 3.14Å; T261-Q264 WeakPolarHBondContact OG1-CB 3.4Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.26Å; T261-Q264 PolarHBondContact OG1-N 3.44Å; T261-Q264 VanDerWaalsContact OG1-N 3.13Å; V262-Q264 PolarHBondContact O-N 2.93Å; Q264-H267 PolarHBondContact O-CE1 2.99Å; Q264-H267 PolarHBondContact O-NE2 2.7Å
265	L	97.4	Very high	96.8	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-82.7	-39.6	-180	-69.2	177.9	0	0	0	113.2	V123 E257 Q260 T261 V262	V123-L265 HydrophobicContact CG1-CD1 4.38Å; E257-L265 HydrophobicContact CB-CD2 4.15Å; Q260-L265 HydrophobicContact CB-CD1 4.26Å; Q260-L265 HydrophobicContact CB-CD2 3.82Å; Q260-L265 HydrophobicContact CB-CG 3.94Å; Q260-L265 HydrophobicContact CG-CD2 3.68Å; Q260-L265 HydrophobicContact CG-CG 3.78Å; T261-L265 WeakPolarHBondContact O-CG 3.49Å; T261-L265 PolarHBondContact O-N 3.21Å; V262-L265 PolarHBondContact O-N 3.38Å; V262-L265 VanDerWaalsContact O-N 3.13Å
266	C	98	Very high	96.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-111.3	-6.8	-169.3	-68.8	0	0	0	0	113.3	C121 V123 L183 V262 P268 Y273	C121-C266 HydrophobicContact CB-CB 3.95Å; C121-C266 WeakPolarHBondContact CB-SG 3.41Å; C121-C266 WeakPolarHBondContact SG-CA 3.42Å; C121-C266 WeakPolarHBondContact SG-CB 3.38Å; C121-C266 CovalentContact SG-SG 2.04Å; C121-C266 PolarHBondContact SG-SG 3.4Å; V123-C266 VanDerWaalsContact CG2-SG 3.59Å; L183-C266 HydrophobicContact CD1-CB 4.42Å; V262-C266 HydrophobicContact CG1-CB 4.38Å; V262-C266 PolarHBondContact O-N 2.79Å; C266-P268 VanDerWaalsContact C-CD 3.43Å; C266-Y273 HydrophobicContact CB-CE2 4.34Å; C266-Y273 WeakPolarHBondContact CB-OH 3.38Å; C266-Y273 VanDerWaalsContact O-CE2 3.3Å; C266-Y273 WeakPolarHBondContact O-CE2 3.39Å; C266-Y273 PolarHBondContact O-OH 3.01Å
267	H	96.6	Very high	97	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.065	12%	0.123	C	C	.	.			trans	45.8	49.1	177.3	-52.3	-69.6	0	0	0	115.1	L102 D106 Y263 Q264 C269 H270 I271	L102-H267 HydrophobicContact CD1-CB 4.35Å; L102-H267 HydrophobicContact CD2-CB 3.94Å; D106-H267 WeakPolarHBondContact CB-NE2 3.35Å; D106-H267 PolarHBondContact O-CD2 2.69Å; D106-H267 PolarHBondContact O-NE2 3.19Å; D106-H267 IonicContact OD1-CE1 3.62Å; D106-H267 IonicContact OD1-NE2 2.71Å; Y263-H267 WeakPolarHBondContact O-CA 3.35Å; Y263-H267 PolarHBondContact O-N 3.3Å; Q264-H267 PolarHBondContact O-CE1 2.99Å; Q264-H267 PolarHBondContact O-NE2 2.7Å; H267-C269 PolarHBondContact O-N 3.38Å; H267-H270 HydrophobicContact CB-CB 4.35Å; H267-H270 PolarHBondContact O-N 2.78Å; H267-I271 HydrophobicContact CB-CD1 4.38Å; H267-I271 PolarHBondContact O-N 3.06Å
268	P	96.4	Very high	97	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.065	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.3	-173.7	27	-37.3	0	0	0	115.5	V85 Y263 C266 I271 Y273 M340 F341	V85-P268 HydrophobicContact CG1-CB 3.83Å; Y263-P268 HydrophobicContact CD2-CG 4.41Å; C266-P268 VanDerWaalsContact C-CD 3.43Å; P268-I271 CarbonylContact C-O 3.59Å; P268-I271 VanDerWaalsContact O-O 3.1Å; P268-Y273 HydrophobicContact CB-CD2 4.11Å; P268-Y273 HydrophobicContact CB-CE2 4.12Å; P268-M340 HydrophobicContact CB-SD 3.89Å; P268-M340 HydrophobicContact CG-CE 4Å; P268-M340 HydrophobicContact CG-SD 3.16Å; P268-M340 WeakPolarHBondContact CG-SD 3.47Å; P268-F341 HydrophobicContact CG-CZ 4.46Å
269	C	94.6	Very high	96.9	Very high	45 Å²	45	25 Å²	25	30%	0.304	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.6	170.7	-57.2	0	0	0	0	114.4	C89 H267 M340	C89-C269 WeakPolarHBondContact CA-SG 3.35Å; C89-C269 HydrophobicContact CB-CB 3.7Å; C89-C269 WeakPolarHBondContact CB-SG 3.47Å; C89-C269 WeakPolarHBondContact SG-CA 3.48Å; C89-C269 WeakPolarHBondContact SG-CB 3.22Å; C89-C269 PolarHBondContact SG-N 3.22Å; C89-C269 CovalentContact SG-SG 2.04Å; C89-C269 PolarHBondContact SG-SG 3.37Å; H267-C269 PolarHBondContact O-N 3.38Å; C269-M340 VanDerWaalsContact SG-CE 3.6Å
270	H	93.9	Very high	96.7	Very high	89 Å²	89	28.5 Å²	28.5	41%	0.412	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-24.7	176.5	-59.5	89.3	0	0	0	111.7	R100 L102 H267	R100-H270 PolarHBondContact O-CD2 3.37Å; R100-H270 PolarHBondContact O-NE2 2.87Å; L102-H270 HydrophobicContact CD1-CB 3.66Å; L102-H270 HydrophobicContact CD2-CB 4.03Å; L102-H270 HydrophobicContact CG-CB 3.85Å; H267-H270 HydrophobicContact CB-CB 4.35Å; H267-H270 PolarHBondContact O-N 2.78Å
271	I	95.9	Very high	96.6	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	14%	0.142	C	C	.	.	S	Bend	trans	-115	120	178.5	-61.6	169	0	0	0	107.8	L102 L107 L110 L176 K181 H267 P268 Y273	L102-I271 HydrophobicContact CD1-CD1 3.98Å; L102-I271 HydrophobicContact CD1-CG1 3.85Å; L107-I271 HydrophobicContact CD2-CD1 4.04Å; L110-I271 HydrophobicContact CD1-CD1 3.6Å; L110-I271 HydrophobicContact CD2-CD1 4.4Å; L176-I271 HydrophobicContact CD2-CG1 4.32Å; L176-I271 HydrophobicContact CD2-CG2 4.13Å; K181-I271 HydrophobicContact CD-CG2 4.22Å; H267-I271 HydrophobicContact CB-CD1 4.38Å; H267-I271 PolarHBondContact O-N 3.06Å; P268-I271 CarbonylContact C-O 3.59Å; P268-I271 VanDerWaalsContact O-O 3.1Å; I271-Y273 HydrophobicContact CB-CD2 4.45Å; I271-Y273 HydrophobicContact CB-CE2 3.84Å; I271-Y273 HydrophobicContact CG2-CD2 4.17Å; I271-Y273 HydrophobicContact CG2-CE1 4.33Å; I271-Y273 HydrophobicContact CG2-CE2 3.73Å; I271-Y273 VanDerWaalsContact O-CD2 3.25Å; I271-Y273 WeakPolarHBondContact O-CD2 3.38Å; I271-Y273 PolarHBondContact O-N 3.34Å
272	H	96	Very high	96.4	Very high	94 Å²	94	30.3 Å²	30.3	44%	0.435	15%	0.147	S	C	.	.			trans	-69.8	126.9	170.7	-170.7	69.1	0	0	0	108.7	K181 D274	K181-H272 WeakPolarHBondContact CD-O 3.46Å; K181-H272 WeakPolarHBondContact CE-O 3.29Å; H272-D274 IonicContact CD2-OD1 2.69Å
273	Y	98.2	Very high	96.1	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.043	17%	0.169	C	C	.	.			trans	-107.4	126.9	174	-73.3	-88.1	0	0	0	109.3	R82 L110 C121 K181 L183 C266 P268 I271 M275	R82-Y273 WeakPolarHBondContact CD-O 3.29Å; R82-Y273 WeakPolarHBondContact CG-O 3.25Å; L110-Y273 HydrophobicContact CD2-CE1 4.4Å; L110-Y273 WeakPolarHBondContact CD2-OH 3.11Å; C121-Y273 HydrophobicContact CB-CE1 3.74Å; C121-Y273 WeakPolarHBondContact CB-OH 3.47Å; K181-Y273 HydrophobicContact CB-CD1 4.05Å; K181-Y273 CarbonylContact O-C 3.5Å; L183-Y273 HydrophobicContact CB-CD1 4.3Å; L183-Y273 HydrophobicContact CB-CE1 4.18Å; L183-Y273 HydrophobicContact CD2-CD1 3.34Å; L183-Y273 HydrophobicContact CD2-CD2 3.55Å; L183-Y273 HydrophobicContact CD2-CE1 3.75Å; L183-Y273 HydrophobicContact CD2-CE2 3.93Å; L183-Y273 HydrophobicContact CD2-CG 3.23Å; L183-Y273 HydrophobicContact CG-CD1 4.43Å; C266-Y273 HydrophobicContact CB-CE2 4.34Å; C266-Y273 WeakPolarHBondContact CB-OH 3.38Å; C266-Y273 VanDerWaalsContact O-CE2 3.3Å; C266-Y273 WeakPolarHBondContact O-CE2 3.39Å; C266-Y273 PolarHBondContact O-OH 3.01Å; P268-Y273 HydrophobicContact CB-CD2 4.11Å; P268-Y273 HydrophobicContact CB-CE2 4.12Å; I271-Y273 HydrophobicContact CB-CD2 4.45Å; I271-Y273 HydrophobicContact CB-CE2 3.84Å; I271-Y273 HydrophobicContact CG2-CD2 4.17Å; I271-Y273 HydrophobicContact CG2-CE1 4.33Å; I271-Y273 HydrophobicContact CG2-CE2 3.73Å; I271-Y273 VanDerWaalsContact O-CD2 3.25Å; I271-Y273 WeakPolarHBondContact O-CD2 3.38Å; I271-Y273 PolarHBondContact O-N 3.34Å; Y273-M275 VanDerWaalsContact C-N 3.29Å
274	D	97.8	Very high	96	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.187	C	C	.	.	S	Bend	trans	-76.9	-19.3	-179.9	-51.7	-57.9	0	0	0	111.2	L60 L63 R82 F180 K181 H272	L60-D274 HydrophobicContact CD1-CB 4.05Å; L60-D274 WeakPolarHBondContact CD1-OD1 3.29Å; L60-D274 WeakPolarHBondContact CD1-OD2 3.4Å; L63-D274 HydrophobicContact CD2-CB 3.94Å; L63-D274 WeakPolarHBondContact CD2-O 3.17Å; R82-D274 VanDerWaalsContact CD-O 3.26Å; R82-D274 WeakPolarHBondContact CD-O 3.49Å; R82-D274 PolarHBondContact NH1-O 3.06Å; F180-D274 WeakPolarHBondContact CA-OD2 3.28Å; F180-D274 HydrophobicContact CD2-CB 3.72Å; F180-D274 HydrophobicContact CE2-CB 3.79Å; F180-D274 HydrophobicContact CG-CB 4.45Å; K181-D274 WeakPolarHBondContact CB-OD2 3.49Å; K181-D274 PolarHBondContact N-OD2 2.91Å; K181-D274 IonicContact NZ-OD1 2.88Å; K181-D274 IonicContact NZ-OD2 3.67Å; K181-D274 PolarHBondContact NZ-OD2 3.17Å; K181-D274 WeakPolarHBondContact O-CA 3.47Å; K181-D274 PolarHBondContact O-N 3.45Å; H272-D274 IonicContact CD2-OD1 2.69Å
275	M	97.4	Very high	96	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138.8	170.9	-176.7	165.8	159.5	0	0	113.7	H78 F180 K181 F182 L183 Y273 D285 Y288 I289	H78-M275 HydrophobicContact CB-CG 4.35Å; H78-M275 WeakPolarHBondContact CE1-CE 3.36Å; H78-M275 WeakPolarHBondContact NE2-CE 3.3Å; F180-M275 HydrophobicContact CE1-CB 4.46Å; F180-M275 HydrophobicContact CE2-CB 4.42Å; F180-M275 HydrophobicContact CZ-CB 3.72Å; F180-M275 HydrophobicContact CZ-SD 4.38Å; K181-M275 PolarHBondContact O-N 3.12Å; K181-M275 VanDerWaalsContact O-N 3.14Å; F182-M275 VanDerWaalsContact CA-O 3.27Å; F182-M275 WeakPolarHBondContact CA-O 3.46Å; F182-M275 HydrophobicContact CB-CB 4.02Å; L183-M275 PolarHBondContact N-O 3.46Å; L183-M275 VanDerWaalsContact N-O 3.15Å; Y273-M275 VanDerWaalsContact C-N 3.29Å; M275-D285 HydrophobicContact CE-CB 3.85Å; M275-D285 WeakPolarHBondContact CE-O 3.21Å; M275-Y288 HydrophobicContact CE-CD1 3.89Å; M275-Y288 HydrophobicContact SD-CD1 3.64Å; M275-Y288 HydrophobicContact SD-CE1 4.1Å; M275-I289 HydrophobicContact CE-CD1 3.68Å; M275-I289 HydrophobicContact CE-CG1 3.51Å; M275-I289 HydrophobicContact CG-CD1 4.44Å; M275-I289 HydrophobicContact CG-CG1 4.45Å; M275-I289 HydrophobicContact SD-CD1 3.77Å; M275-I289 HydrophobicContact SD-CG1 3.26Å; M275-I289 WeakPolarHBondContact SD-CG1 3.16Å
276	V	98.4	Very high	95.9	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	105.7	172.3	-175.5	0	0	0	0	108.9	H78 R81 V85 L183 V185 F341	H78-V276 PolarHBondContact ND1-O 3.21Å; R81-V276 HydrophobicContact CB-CB 4.18Å; R81-V276 WeakPolarHBondContact CD-O 3.36Å; R81-V276 PolarHBondContact NH1-O 3.47Å; V85-V276 HydrophobicContact CG2-CG2 4.13Å; L183-V276 HydrophobicContact CD2-CG2 4.17Å; V185-V276 HydrophobicContact CG1-CG1 4.44Å; V185-V276 HydrophobicContact CG2-CG1 4.11Å; V276-F341 HydrophobicContact CG1-CD1 3.89Å; V276-F341 HydrophobicContact CG1-CE1 4.1Å
277	G	97.9	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	154.4	171.9	0	0	0	0	0	111.8	L183 F184 V185 D285	L183-G277 PolarHBondContact O-N 2.98Å; F184-G277 CarbonylContact C-O 3.3Å; F184-G277 WeakPolarHBondContact CA-O 3.45Å; V185-G277 WeakPolarHBondContact CG2-O 3.37Å; V185-G277 PolarHBondContact N-O 3.09Å; G277-D285 WeakPolarHBondContact CA-OD2 3.45Å
278	K	97.6	Very high	95.6	Very high	32 Å²	32	35.5 Å²	35.5	14%	0.139	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.9	176	-80	-160.7	175.3	-161.4	0	110	V185 E280 T281 L282 D285 F341 N342 Y343	V185-K278 HydrophobicContact CG2-CG 4.03Å; V185-K278 CarbonylContact O-C 3.51Å; V185-K278 WeakPolarHBondContact O-CA 3.05Å; K278-E280 WeakPolarHBondContact CB-OE2 3.02Å; K278-E280 PolarHBondContact O-N 3.18Å; K278-T281 CarbonylContact O-C 3.46Å; K278-T281 VanDerWaalsContact O-C 3.3Å; K278-T281 PolarHBondContact O-N 3.23Å; K278-T281 VanDerWaalsContact O-N 3.15Å; K278-L282 VanDerWaalsContact O-CA 3.29Å; K278-L282 WeakPolarHBondContact O-CA 3.41Å; K278-L282 PolarHBondContact O-N 2.93Å; K278-D285 PolarHBondContact N-OD2 2.98Å; K278-F341 WeakPolarHBondContact CE-O 3.5Å; K278-F341 PolarHBondContact NZ-O 3.23Å; K278-N342 PolarHBondContact NZ-O 3.01Å; K278-Y343 HydrophobicContact CD-CE1 4.32Å
279	Y	95.4	Very high	95.5	Very high	44 Å²	44	35.1 Å²	35.1	17%	0.173	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-64.1	-26.7	176.8	-169	-107.6	0	0	0	112	V126 A127 V185 R186 T281 L282 R309	V126-Y279 HydrophobicContact CG1-CD2 4.16Å; V126-Y279 HydrophobicContact CG1-CG 4.47Å; A127-Y279 HydrophobicContact CB-CD2 4.34Å; A127-Y279 HydrophobicContact CB-CE2 4.05Å; V185-Y279 WeakPolarHBondContact O-CB 3.42Å; V185-Y279 PolarHBondContact O-N 3.42Å; R186-Y279 HydrophobicContact CB-CG 4.39Å; R186-Y279 HydrophobicContact CG-CD1 4.03Å; R186-Y279 HydrophobicContact CG-CG 4.13Å; Y279-T281 VanDerWaalsContact C-N 3.31Å; Y279-L282 HydrophobicContact CD2-CD2 3.94Å; Y279-L282 HydrophobicContact CE2-CD2 3.84Å; Y279-L282 WeakPolarHBondContact O-CB 3.4Å; Y279-R309 HydrophobicContact CE1-CG 3.66Å
280	E	94.2	Very high	95.5	Very high	74 Å²	74	33.1 Å²	33.1	35%	0.346	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-70.7	-26.5	177.2	-59.4	76.5	-156.6	0	0	112.7	E187 K278 Y343	E187-E280 PolarHBondContact N-OE1 2.98Å; K278-E280 WeakPolarHBondContact CB-OE2 3.02Å; K278-E280 PolarHBondContact O-N 3.18Å; E280-Y343 PolarHBondContact OE2-OH 2.88Å
281	T	94.6	Very high	95.5	Very high	41 Å²	41	34.8 Å²	34.8	25%	0.252	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-121.2	34.6	176.9	54.8	0	0	0	0	111	R81 K278 Y279 E283 E284 D285	R81-T281 PolarHBondContact NH2-OG1 3.48Å; K278-T281 CarbonylContact O-C 3.46Å; K278-T281 VanDerWaalsContact O-C 3.3Å; K278-T281 PolarHBondContact O-N 3.23Å; K278-T281 VanDerWaalsContact O-N 3.15Å; Y279-T281 VanDerWaalsContact C-N 3.31Å; T281-E283 PolarHBondContact O-N 2.86Å; T281-E284 VanDerWaalsContact C-OE2 3.27Å; T281-E284 WeakPolarHBondContact CA-OE2 3.34Å; T281-E284 PolarHBondContact O-N 3.4Å; T281-D285 VanDerWaalsContact O-CB 3.25Å; T281-D285 WeakPolarHBondContact O-CB 3.48Å; T281-D285 PolarHBondContact O-N 2.91Å; T281-D285 PolarHBondContact OG1-OD1 3.25Å; T281-D285 PolarHBondContact OG1-OD2 2.76Å
282	L	93.8	Very high	95.3	Very high	27 Å²	27	35.2 Å²	35.2	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-44.1	-165.1	175.7	63.9	0	0	0	112.9	A127 F184 K278 Y279 A286 F301	A127-L282 HydrophobicContact CB-CD1 3.94Å; A127-L282 HydrophobicContact CB-CD2 3.5Å; A127-L282 VanDerWaalsContact CB-CD2 3.5Å; A127-L282 HydrophobicContact CB-CG 4.37Å; F184-L282 HydrophobicContact CD1-CD1 3.53Å; F184-L282 HydrophobicContact CE1-CD1 3.63Å; F184-L282 HydrophobicContact CG-CD1 4.39Å; K278-L282 VanDerWaalsContact O-CA 3.29Å; K278-L282 WeakPolarHBondContact O-CA 3.41Å; K278-L282 PolarHBondContact O-N 2.93Å; Y279-L282 HydrophobicContact CD2-CD2 3.94Å; Y279-L282 HydrophobicContact CE2-CD2 3.84Å; Y279-L282 WeakPolarHBondContact O-CB 3.4Å; L282-A286 WeakPolarHBondContact O-CB 3.28Å; L282-A286 PolarHBondContact O-N 3.42Å; L282-F301 HydrophobicContact CD1-CE1 3.99Å; L282-F301 HydrophobicContact CD1-CZ 3.95Å; L282-F301 HydrophobicContact CD2-CE1 3.72Å; L282-F301 HydrophobicContact CD2-CZ 4.23Å; L282-F301 HydrophobicContact CG-CD1 4.41Å; L282-F301 HydrophobicContact CG-CE1 3.67Å; L282-F301 HydrophobicContact CG-CZ 4.16Å
283	E	92.4	Very high	95.1	Very high	102 Å²	102	31.8 Å²	31.8	48%	0.477	15%	0.147	S	C	.	.	H	α-helix	trans	-72.7	-44.5	-174.4	-175.8	171.9	171.8	0	0	110.9	T281 A286 N287	T281-E283 PolarHBondContact O-N 2.86Å; E283-A286 PolarHBondContact O-N 3.13Å; E283-N287 VanDerWaalsContact O-CB 3.26Å; E283-N287 WeakPolarHBondContact O-CB 3.48Å; E283-N287 PolarHBondContact O-N 3.17Å; E283-N287 PolarHBondContact O-ND2 2.93Å
284	E	93.6	Very high	94.8	Very high	120 Å²	120	34.3 Å²	34.3	56%	0.561	18%	0.176	S	C	*	.	H	α-helix	trans	-61.7	-49.5	177.3	-61.4	82.2	178.5	0	0	111.1	T281 N287 Y288	T281-E284 VanDerWaalsContact C-OE2 3.27Å; T281-E284 WeakPolarHBondContact CA-OE2 3.34Å; T281-E284 PolarHBondContact O-N 3.4Å; E284-N287 PolarHBondContact O-N 2.97Å; E284-Y288 PolarHBondContact O-N 3.15Å
285	D	96.1	Very high	94.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-41.4	179.5	-67.3	-7.6	0	0	0	111.5	H78 R81 F184 M275 G277 K278 T281 Y288 I289	H78-D285 IonicContact CE1-OD1 3.84Å; H78-D285 PolarHBondContact CE1-OD1 3.12Å; H78-D285 VanDerWaalsContact CE1-OD1 3.22Å; H78-D285 IonicContact CE1-OD2 3.72Å; H78-D285 IonicContact NE2-OD1 2.69Å; R81-D285 IonicContact CZ-OD2 3.79Å; R81-D285 IonicContact NH1-OD1 2.75Å; R81-D285 PolarHBondContact NH1-OD1 2.97Å; R81-D285 IonicContact NH1-OD2 3.02Å; R81-D285 PolarHBondContact NH1-OD2 3.28Å; R81-D285 IonicContact NH2-OD1 3.84Å; R81-D285 IonicContact NH2-OD2 3.73Å; F184-D285 HydrophobicContact CE1-CB 3.63Å; F184-D285 HydrophobicContact CZ-CB 3.79Å; M275-D285 HydrophobicContact CE-CB 3.85Å; M275-D285 WeakPolarHBondContact CE-O 3.21Å; G277-D285 WeakPolarHBondContact CA-OD2 3.45Å; K278-D285 PolarHBondContact N-OD2 2.98Å; T281-D285 VanDerWaalsContact O-CB 3.25Å; T281-D285 WeakPolarHBondContact O-CB 3.48Å; T281-D285 PolarHBondContact O-N 2.91Å; T281-D285 PolarHBondContact OG1-OD1 3.25Å; T281-D285 PolarHBondContact OG1-OD2 2.76Å; D285-Y288 PolarHBondContact O-N 3.34Å; D285-I289 PolarHBondContact O-N 3.01Å; D285-I289 VanDerWaalsContact O-N 3.14Å
286	A	95.9	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-44.1	178.1	0	0	0	0	0	111.6	W131 F184 L282 E283 Y288 I289 L290 F301	W131-A286 HydrophobicContact CH2-CB 3.93Å; W131-A286 HydrophobicContact CZ2-CB 3.43Å; W131-A286 VanDerWaalsContact CZ2-CB 3.43Å; F184-A286 HydrophobicContact CZ-CB 4.38Å; L282-A286 WeakPolarHBondContact O-CB 3.28Å; L282-A286 PolarHBondContact O-N 3.42Å; E283-A286 PolarHBondContact O-N 3.13Å; A286-Y288 VanDerWaalsContact C-N 3.26Å; A286-Y288 PolarHBondContact O-N 3.23Å; A286-I289 PolarHBondContact O-N 3.01Å; A286-L290 WeakPolarHBondContact O-CG 3.42Å; A286-L290 PolarHBondContact O-N 3.48Å; A286-F301 HydrophobicContact CB-CB 3.61Å; A286-F301 HydrophobicContact CB-CD1 3.98Å; A286-F301 HydrophobicContact CB-CD2 3.55Å; A286-F301 HydrophobicContact CB-CE2 4.2Å; A286-F301 HydrophobicContact CB-CG 3.41Å; A286-F301 VanDerWaalsContact CB-CG 3.41Å
287	N	93.3	Very high	93.6	Very high	23 Å²	23	42.4 Å²	42.4	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-33.9	176.4	-74.1	-33.6	0	0	0	111.8	E283 E284 L290 R291	E283-N287 VanDerWaalsContact O-CB 3.26Å; E283-N287 WeakPolarHBondContact O-CB 3.48Å; E283-N287 PolarHBondContact O-N 3.17Å; E283-N287 PolarHBondContact O-ND2 2.93Å; E284-N287 PolarHBondContact O-N 2.97Å; N287-L290 PolarHBondContact O-N 3.31Å; N287-R291 WeakPolarHBondContact O-CG 3.48Å; N287-R291 PolarHBondContact O-N 2.92Å; N287-R291 PolarHBondContact O-NH1 2.93Å
288	Y	94.1	Very high	93.1	Very high	17 Å²	17	45.4 Å²	45.4	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-44.3	173.2	-176.9	-106.5	0	0	0	111.9	L63 A74 A75 H78 M275 E284 D285 A286 R291 L292	L63-Y288 HydrophobicContact CD1-CE1 4.46Å; A74-Y288 HydrophobicContact CB-CD1 4.44Å; A74-Y288 HydrophobicContact CB-CD2 3.54Å; A74-Y288 HydrophobicContact CB-CE2 3.7Å; A74-Y288 HydrophobicContact CB-CG 3.95Å; A75-Y288 WeakPolarHBondContact CA-OH 3.3Å; A75-Y288 WeakPolarHBondContact CB-OH 3.26Å; H78-Y288 AromaticContact CD2-CD1 3.51Å; H78-Y288 AromaticContact CD2-CE1 3.6Å; H78-Y288 AromaticContact NE2-CD1 3.82Å; M275-Y288 HydrophobicContact CE-CD1 3.89Å; M275-Y288 HydrophobicContact SD-CD1 3.64Å; M275-Y288 HydrophobicContact SD-CE1 4.1Å; E284-Y288 PolarHBondContact O-N 3.15Å; D285-Y288 PolarHBondContact O-N 3.34Å; A286-Y288 VanDerWaalsContact C-N 3.26Å; A286-Y288 PolarHBondContact O-N 3.23Å; Y288-R291 PolarHBondContact O-N 3.38Å; Y288-L292 HydrophobicContact CD1-CD1 3.96Å; Y288-L292 HydrophobicContact CD1-CG 4.49Å; Y288-L292 HydrophobicContact CE1-CD1 3.55Å; Y288-L292 HydrophobicContact CE1-CG 4.18Å; Y288-L292 WeakPolarHBondContact O-CG 3.25Å; Y288-L292 PolarHBondContact O-N 3.47Å
289	I	95.2	Very high	92.8	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-48	174.2	-68	166.1	0	0	0	111	W131 F180 F182 F184 M275 D285 A286 R291 L292 V293	W131-I289 HydrophobicContact CH2-CB 4.1Å; W131-I289 HydrophobicContact CH2-CD1 3.82Å; W131-I289 HydrophobicContact CH2-CG2 4.1Å; W131-I289 HydrophobicContact CZ2-CD1 4.05Å; W131-I289 HydrophobicContact CZ3-CG2 4.41Å; F180-I289 HydrophobicContact CE1-CG1 4.4Å; F180-I289 HydrophobicContact CE1-CG2 4.24Å; F182-I289 HydrophobicContact CB-CD1 4.18Å; F182-I289 HydrophobicContact CD2-CD1 3.52Å; F182-I289 HydrophobicContact CE1-CG2 4.38Å; F182-I289 HydrophobicContact CE2-CD1 3.96Å; F182-I289 HydrophobicContact CG-CD1 3.86Å; F182-I289 HydrophobicContact CZ-CG2 4.43Å; F184-I289 HydrophobicContact CE2-CD1 3.52Å; F184-I289 HydrophobicContact CZ-CD1 3.85Å; M275-I289 HydrophobicContact CE-CD1 3.68Å; M275-I289 HydrophobicContact CE-CG1 3.51Å; M275-I289 HydrophobicContact CG-CD1 4.44Å; M275-I289 HydrophobicContact CG-CG1 4.45Å; M275-I289 HydrophobicContact SD-CD1 3.77Å; M275-I289 HydrophobicContact SD-CG1 3.26Å; M275-I289 WeakPolarHBondContact SD-CG1 3.16Å; D285-I289 PolarHBondContact O-N 3.01Å; D285-I289 VanDerWaalsContact O-N 3.14Å; A286-I289 PolarHBondContact O-N 3.01Å; I289-R291 PolarHBondContact O-N 3.12Å; I289-L292 WeakPolarHBondContact O-CB 3.4Å; I289-L292 PolarHBondContact O-N 3.41Å; I289-V293 HydrophobicContact CG2-CG2 4.13Å; I289-V293 VanDerWaalsContact O-CG2 3.27Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 2.91Å
290	L	94.6	Very high	92.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-33.1	-179.1	-65.6	175.7	0	0	0	112.1	V134 A286 N287 G294 V295 G296 L299 F301	V134-L290 HydrophobicContact CG1-CD2 3.97Å; A286-L290 WeakPolarHBondContact O-CG 3.42Å; A286-L290 PolarHBondContact O-N 3.48Å; N287-L290 PolarHBondContact O-N 3.31Å; L290-G294 PolarHBondContact O-N 2.78Å; L290-V295 HydrophobicContact CB-CG2 4.15Å; L290-V295 HydrophobicContact CD2-CG2 3.81Å; L290-V295 CarbonylContact O-C 3.52Å; L290-V295 WeakPolarHBondContact O-CG2 3.29Å; L290-V295 PolarHBondContact O-N 3.02Å; L290-G296 PolarHBondContact O-N 2.87Å; L290-L299 HydrophobicContact CD1-CG 4.5Å; L290-L299 HydrophobicContact CD2-CD2 4.03Å; L290-L299 HydrophobicContact CD2-CG 4.35Å; L290-F301 HydrophobicContact CD1-CB 4.29Å
291	R	92.6	Very high	92.5	Very high	124 Å²	124	45.9 Å²	45.9	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-66.8	-46.2	170.8	-72.9	-168.8	-58.8	-87.7	10	112.5	N287 Y288 I289 V293 G294	N287-R291 WeakPolarHBondContact O-CG 3.48Å; N287-R291 PolarHBondContact O-N 2.92Å; N287-R291 PolarHBondContact O-NH1 2.93Å; Y288-R291 PolarHBondContact O-N 3.38Å; I289-R291 PolarHBondContact O-N 3.12Å; R291-V293 PolarHBondContact O-N 2.63Å; R291-G294 PolarHBondContact O-N 3.36Å
292	L	91.9	Very high	92.3	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-34.6	176.4	-70.1	175.6	0	0	0	112.4	A59 E62 L63 F180 Y288 I289 G294	A59-L292 WeakPolarHBondContact CA-O 3.48Å; A59-L292 HydrophobicContact CB-CB 4.27Å; E62-L292 HydrophobicContact CB-CD2 4.15Å; E62-L292 HydrophobicContact CG-CD2 3.92Å; L63-L292 HydrophobicContact CB-CD1 4.47Å; L63-L292 HydrophobicContact CB-CD2 4.5Å; L63-L292 HydrophobicContact CD1-CD1 4.11Å; F180-L292 HydrophobicContact CE2-CD1 4Å; F180-L292 HydrophobicContact CZ-CD1 3.99Å; Y288-L292 HydrophobicContact CD1-CD1 3.96Å; Y288-L292 HydrophobicContact CD1-CG 4.49Å; Y288-L292 HydrophobicContact CE1-CD1 3.55Å; Y288-L292 HydrophobicContact CE1-CG 4.18Å; Y288-L292 WeakPolarHBondContact O-CG 3.25Å; Y288-L292 PolarHBondContact O-N 3.47Å; I289-L292 WeakPolarHBondContact O-CB 3.4Å; I289-L292 PolarHBondContact O-N 3.41Å; L292-G294 PolarHBondContact O-N 3.4Å
293	V	92.1	Very high	91.5	Very high	21 Å²	21	47.1 Å²	47.1	13%	0.127	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.2	176.7	177.7	0	0	0	0	112.2	A59 H116 L118 I289 R291 V295	A59-V293 HydrophobicContact CB-CG2 4.2Å; H116-V293 HydrophobicContact CB-CG1 4.04Å; L118-V293 HydrophobicContact CD1-CG1 4.05Å; L118-V293 HydrophobicContact CD1-CG2 3.64Å; L118-V293 HydrophobicContact CD2-CG2 3.79Å; L118-V293 HydrophobicContact CG-CG2 4.35Å; I289-V293 HydrophobicContact CG2-CG2 4.13Å; I289-V293 VanDerWaalsContact O-CG2 3.27Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 2.91Å; R291-V293 PolarHBondContact O-N 2.63Å; V293-V295 HydrophobicContact CB-CG2 4.05Å; V293-V295 HydrophobicContact CG1-CG1 4.17Å; V293-V295 HydrophobicContact CG1-CG2 3.88Å
294	G	91.2	Very high	90.4	Very high	64 Å²	64	48.2 Å²	48.2	66%	0.66	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	16.6	-178.4	0	0	0	0	0	114.5	L290 R291 L292	L290-G294 PolarHBondContact O-N 2.78Å; R291-G294 PolarHBondContact O-N 3.36Å; L292-G294 PolarHBondContact O-N 3.4Å
295	V	91.4	Very high	89.1	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.055	25%	0.25	C	S	.	.			trans	-116.1	7.5	-178	-61.9	0	0	0	0	113.1	L138 L290 V293 D297 S298 L299	L138-V295 HydrophobicContact CD2-CG1 4.16Å; L138-V295 HydrophobicContact CD2-CG2 4.11Å; L290-V295 HydrophobicContact CB-CG2 4.15Å; L290-V295 HydrophobicContact CD2-CG2 3.81Å; L290-V295 CarbonylContact O-C 3.52Å; L290-V295 WeakPolarHBondContact O-CG2 3.29Å; L290-V295 PolarHBondContact O-N 3.02Å; V293-V295 HydrophobicContact CB-CG2 4.05Å; V293-V295 HydrophobicContact CG1-CG1 4.17Å; V293-V295 HydrophobicContact CG1-CG2 3.88Å; V295-D297 PolarHBondContact O-N 3.46Å; V295-D297 VanDerWaalsContact O-N 3.12Å; V295-S298 PolarHBondContact O-N 2.93Å; V295-S298 VanDerWaalsContact O-N 3.17Å; V295-S298 PolarHBondContact O-OG 3.1Å; V295-L299 HydrophobicContact CB-CB 4.3Å; V295-L299 HydrophobicContact CG2-CB 4.29Å; V295-L299 HydrophobicContact CG2-CD2 4.42Å; V295-L299 WeakPolarHBondContact O-CB 3.45Å; V295-L299 PolarHBondContact O-N 3.29Å
296	G	89.3	Confident	87.7	Confident	7 Å²	7	54.3 Å²	54.3	7%	0.072	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.7	-174.2	0	0	0	0	0	115.5	L290 R300	L290-G296 PolarHBondContact O-N 2.87Å; G296-R300 PolarHBondContact O-NH2 3.49Å
297	D	88.3	Confident	86.1	Confident	162 Å²	162	59.5 Å²	59.5	87%	0.866	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-30.6	177.6	-65.3	-30	0	0	0	112.8	V295	V295-D297 PolarHBondContact O-N 3.46Å; V295-D297 VanDerWaalsContact O-N 3.12Å
298	S	87.8	Confident	85.1	Confident	64 Å²	64	62.8 Å²	62.8	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-22.8	-175.3	56.6	0	0	0	0	113.6	F46 V295	F46-S298 WeakPolarHBondContact CE1-OG 3.41Å; V295-S298 PolarHBondContact O-N 2.93Å; V295-S298 VanDerWaalsContact O-N 3.17Å; V295-S298 PolarHBondContact O-OG 3.1Å
299	L	91.3	Very high	84.6	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	36%	0.359	C	S	.	.			trans	-124	131.9	-178.1	-169.5	55.6	0	0	0	110.7	F46 V134 V137 L138 P147 L290 V295	F46-L299 HydrophobicContact CE1-CB 4.05Å; V134-L299 HydrophobicContact CG1-CD2 4.02Å; V137-L299 HydrophobicContact CB-CD1 4.49Å; V137-L299 HydrophobicContact CG1-CD1 3.93Å; V137-L299 HydrophobicContact CG1-CD2 4.22Å; L138-L299 HydrophobicContact CD2-CD2 3.73Å; L138-L299 HydrophobicContact CG-CD2 4.09Å; P147-L299 HydrophobicContact CG-CD1 3.65Å; L290-L299 HydrophobicContact CD1-CG 4.5Å; L290-L299 HydrophobicContact CD2-CD2 4.03Å; L290-L299 HydrophobicContact CD2-CG 4.35Å; V295-L299 HydrophobicContact CB-CB 4.3Å; V295-L299 HydrophobicContact CG2-CB 4.29Å; V295-L299 HydrophobicContact CG2-CD2 4.42Å; V295-L299 WeakPolarHBondContact O-CB 3.45Å; V295-L299 PolarHBondContact O-N 3.29Å
300	R	90.3	Very high	84.2	Confident	147 Å²	147	66.1 Å²	66.1	56%	0.555	36%	0.359	S	S	*	.			trans	-117.5	144.5	174.4	-64.9	-64.2	-180	175.4	-6.6	110.7	G296	G296-R300 PolarHBondContact O-NH2 3.49Å
301	F	93.3	Very high	84	Confident	11 Å²	11	68.4 Å²	68.4	5%	0.048	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71.3	132.8	174.7	-171.6	-97.6	0	0	0	110.1	A127 N130 W131 V134 L282 A286 L290 S303	A127-F301 HydrophobicContact CB-CZ 4.02Å; N130-F301 HydrophobicContact CB-CE1 4.18Å; N130-F301 HydrophobicContact CB-CE2 3.92Å; N130-F301 HydrophobicContact CB-CZ 3.54Å; W131-F301 AromaticContact CD1-CE2 3.76Å; W131-F301 AromaticContact CD1-CZ 3.98Å; W131-F301 HydrophobicContact CD2-CD2 4.38Å; W131-F301 AromaticContact CD2-CE2 3.72Å; W131-F301 HydrophobicContact CD2-CE2 3.72Å; W131-F301 AromaticContact CE2-CE2 3.52Å; W131-F301 HydrophobicContact CE3-CE2 4.39Å; W131-F301 AromaticContact CG-CE2 3.85Å; W131-F301 HydrophobicContact CG-CE2 3.85Å; W131-F301 HydrophobicContact CG-CZ 4.46Å; W131-F301 HydrophobicContact CH2-CD2 4.47Å; W131-F301 HydrophobicContact CZ2-CD2 4.13Å; W131-F301 HydrophobicContact CZ2-CE2 4.01Å; W131-F301 AromaticContact NE1-CE2 3.55Å; W131-F301 AromaticContact NE1-CZ 3.84Å; V134-F301 HydrophobicContact CG2-CD2 4.06Å; V134-F301 HydrophobicContact CG2-CE2 4.49Å; L282-F301 HydrophobicContact CD1-CE1 3.99Å; L282-F301 HydrophobicContact CD1-CZ 3.95Å; L282-F301 HydrophobicContact CD2-CE1 3.72Å; L282-F301 HydrophobicContact CD2-CZ 4.23Å; L282-F301 HydrophobicContact CG-CD1 4.41Å; L282-F301 HydrophobicContact CG-CE1 3.67Å; L282-F301 HydrophobicContact CG-CZ 4.16Å; A286-F301 HydrophobicContact CB-CB 3.61Å; A286-F301 HydrophobicContact CB-CD1 3.98Å; A286-F301 HydrophobicContact CB-CD2 3.55Å; A286-F301 HydrophobicContact CB-CE2 4.2Å; A286-F301 HydrophobicContact CB-CG 3.41Å; A286-F301 VanDerWaalsContact CB-CG 3.41Å; L290-F301 HydrophobicContact CD1-CB 4.29Å; F301-S303 PolarHBondContact O-N 3.01Å
302	P	90.4	Very high	84	Confident	10 Å²	10	66 Å²	66	7%	0.065	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-68.3	124.6	-178.3	-21	32.8	0	0	0	112.5	N130 P147 M148	N130-P302 HydrophobicContact CB-CB 4.44Å; N130-P302 HydrophobicContact CB-CG 4.29Å; N130-P302 PolarHBondContact ND2-O 3.25Å; P147-P302 HydrophobicContact CB-CG 3.56Å; P147-P302 HydrophobicContact CG-CG 4.12Å; M148-P302 HydrophobicContact CG-CB 3.96Å; M148-P302 HydrophobicContact CG-CG 4.3Å; M148-P302 HydrophobicContact SD-CB 3.57Å; M148-P302 VanDerWaalsContact SD-CB 3.57Å; M148-P302 HydrophobicContact SD-CG 4.21Å
303	S	76.4	Confident	84.1	Confident	83 Å²	83	68.3 Å²	68.3	58%	0.58	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-89	147.6	174	66.9	0	0	0	0	111.1	F301	F301-S303 PolarHBondContact O-N 3.01Å
304	Y	70	Confident	84.3	Confident	126 Å²	126	69.8 Å²	69.8	49%	0.494	40%	0.396	S	S	.	.			trans	-119.1	155.7	174	-86.8	-69.1	0	0	0	110.6	N130 R133 K306	N130-Y304 VanDerWaalsContact ND2-CD2 3.33Å; N130-Y304 WeakPolarHBondContact ND2-CD2 3.41Å; N130-Y304 WeakPolarHBondContact ND2-CE2 3.45Å; N130-Y304 VanDerWaalsContact OD1-CE2 3.29Å; N130-Y304 WeakPolarHBondContact OD1-CE2 3.45Å; R133-Y304 PolarHBondContact NH1-OH 3.37Å; Y304-K306 PolarHBondContact O-N 2.72Å
305	A	65.7	Low	84.6	Confident	60 Å²	60	66.7 Å²	66.7	50%	0.496	37%	0.365	S	S	.	.			trans	-56.5	124.9	171.9	0	0	0	0	0	110.6	S307 T308	A305-S307 PolarHBondContact O-N 3.49Å; A305-T308 PolarHBondContact O-N 2.96Å; A305-T308 PolarHBondContact O-OG1 3.18Å
306	K	67.6	Low	84.8	Confident	191 Å²	191	67.7 Å²	67.7	83%	0.83	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-53.6	-25.6	179.3	-65.8	-177.4	179.5	179.7	0	112.8	Y304 T308 R309	Y304-K306 PolarHBondContact O-N 2.72Å; K306-T308 VanDerWaalsContact C-N 3.25Å; K306-T308 PolarHBondContact O-N 3.23Å; K306-R309 WeakPolarHBondContact O-CB 3.46Å; K306-R309 PolarHBondContact O-N 3.22Å
307	S	62.3	Low	85.2	Confident	110 Å²	110	74.1 Å²	74.1	77%	0.769	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.6	178.4	56.5	0	0	0	0	114.9	A305 R309	A305-S307 PolarHBondContact O-N 3.49Å; S307-R309 VanDerWaalsContact C-N 3.31Å
308	T	71.1	Confident	85.6	Confident	91 Å²	91	68.9 Å²	68.9	56%	0.558	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-84.3	-9.5	178.8	62.6	0	0	0	0	112.9	A305 K306	A305-T308 PolarHBondContact O-N 2.96Å; A305-T308 PolarHBondContact O-OG1 3.18Å; K306-T308 VanDerWaalsContact C-N 3.25Å; K306-T308 PolarHBondContact O-N 3.23Å
309	R	83.1	Confident	86	Confident	88 Å²	88	66 Å²	66	33%	0.332	35%	0.351	S	S	.	.	S	Bend	trans	-72	131.1	-175.5	-155.3	172.4	70.4	109.3	-2.7	110.4	Y279 K306 S307 T311	Y279-R309 HydrophobicContact CE1-CG 3.66Å; K306-R309 WeakPolarHBondContact O-CB 3.46Å; K306-R309 PolarHBondContact O-N 3.22Å; S307-R309 VanDerWaalsContact C-N 3.31Å; R309-T311 PolarHBondContact O-N 2.9Å
310	T	87.1	Confident	86.2	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	38%	0.376	C	S	.	.			trans	-67.3	129.9	162.5	-56.5	0	0	0	0	107.4	R186 V193 R197 M314	R186-T310 PolarHBondContact NH2-O 2.59Å; V193-T310 HydrophobicContact CB-CG2 3.92Å; V193-T310 HydrophobicContact CG1-CG2 3.58Å; R197-T310 PolarHBondContact NH1-OG1 2.81Å; R197-T310 VanDerWaalsContact NH1-OG1 3.08Å; T310-M314 HydrophobicContact CG2-SD 4.2Å
311	T	91.9	Very high	86.2	Confident	49 Å²	49	68.8 Å²	68.8	30%	0.301	38%	0.383	S	S	.	.			trans	-112.1	163.7	-178.2	58.2	0	0	0	0	110.6	R309 A313 M314 T315	R309-T311 PolarHBondContact O-N 2.9Å; T311-A313 VanDerWaalsContact C-N 3.31Å; T311-A313 PolarHBondContact O-N 3.48Å; T311-M314 PolarHBondContact O-N 3.48Å; T311-M314 PolarHBondContact OG1-N 3.19Å; T311-T315 WeakPolarHBondContact O-CB 3.21Å; T311-T315 PolarHBondContact O-N 3.14Å; T311-T315 PolarHBondContact O-OG1 3.4Å
312	D	92.4	Very high	86.4	Confident	75 Å²	75	68.7 Å²	68.7	40%	0.401	38%	0.383	S	S	.	.	H	α-helix	trans	-48	-50.9	168.5	-176.9	77.1	0	0	0	112.4	E190 M314 T315 A316 Y348	E190-D312 PolarHBondContact OE1-N 2.89Å; D312-M314 VanDerWaalsContact C-N 3.35Å; D312-M314 PolarHBondContact O-N 3.48Å; D312-T315 CarbonylContact O-C 3.56Å; D312-T315 WeakPolarHBondContact O-CA 3.48Å; D312-T315 WeakPolarHBondContact O-CB 3.1Å; D312-T315 PolarHBondContact O-N 3.41Å; D312-A316 PolarHBondContact O-N 3.32Å; D312-Y348 WeakPolarHBondContact OD1-CE1 3.46Å
313	A	94.2	Very high	86.6	Confident	62 Å²	62	70.7 Å²	70.7	51%	0.512	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-41	178.5	0	0	0	0	0	113.4	T311 T315 Q317	T311-A313 VanDerWaalsContact C-N 3.31Å; T311-A313 PolarHBondContact O-N 3.48Å; A313-T315 VanDerWaalsContact C-N 3.35Å; A313-Q317 WeakPolarHBondContact O-CG 3.4Å; A313-Q317 PolarHBondContact O-N 2.99Å
314	M	95.3	Very high	87.6	Confident	52 Å²	52	69.1 Å²	69.1	26%	0.256	39%	0.386	S	S	.	.	H	α-helix	trans	-66.6	-40.4	174.4	179.5	-179.2	-68.1	0	0	111.1	R197 T310 T311 D312 Q317 F318	R197-M314 PolarHBondContact NH1-SD 3.15Å; T310-M314 HydrophobicContact CG2-SD 4.2Å; T311-M314 PolarHBondContact O-N 3.48Å; T311-M314 PolarHBondContact OG1-N 3.19Å; D312-M314 VanDerWaalsContact C-N 3.35Å; D312-M314 PolarHBondContact O-N 3.48Å; M314-Q317 WeakPolarHBondContact O-CB 3.3Å; M314-Q317 PolarHBondContact O-N 2.91Å; M314-F318 HydrophobicContact CG-CD2 4.28Å; M314-F318 HydrophobicContact CG-CE2 4.05Å; M314-F318 WeakPolarHBondContact O-CD2 3.35Å; M314-F318 PolarHBondContact O-N 3.44Å
315	T	96.6	Very high	88.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-44.7	178.7	-55.1	0	0	0	0	109.9	F189 V193 T311 D312 A313 Q317 F318 F319 Y348	F189-T315 HydrophobicContact CB-CG2 3.93Å; V193-T315 HydrophobicContact CG2-CG2 3.8Å; T311-T315 WeakPolarHBondContact O-CB 3.21Å; T311-T315 PolarHBondContact O-N 3.14Å; T311-T315 PolarHBondContact O-OG1 3.4Å; D312-T315 CarbonylContact O-C 3.56Å; D312-T315 WeakPolarHBondContact O-CA 3.48Å; D312-T315 WeakPolarHBondContact O-CB 3.1Å; D312-T315 PolarHBondContact O-N 3.41Å; A313-T315 VanDerWaalsContact C-N 3.35Å; T315-Q317 VanDerWaalsContact C-N 3.26Å; T315-Q317 PolarHBondContact O-N 3.25Å; T315-F318 WeakPolarHBondContact O-CB 3.34Å; T315-F318 PolarHBondContact O-N 3.28Å; T315-F319 HydrophobicContact CG2-CD2 4.01Å; T315-F319 HydrophobicContact CG2-CE2 3.89Å; T315-F319 WeakPolarHBondContact O-CD2 3.22Å; T315-F319 PolarHBondContact O-N 3.02Å; T315-F319 VanDerWaalsContact O-N 3.17Å; T315-Y348 WeakPolarHBondContact CG2-OH 3.04Å
316	A	96.9	Very high	90.3	Very high	29 Å²	29	67.7 Å²	67.7	24%	0.24	37%	0.373	C	S	.	.	H	α-helix	trans	-54.3	-40.4	174.3	0	0	0	0	0	112.8	D312 F318 F319 S320 Y348	D312-A316 PolarHBondContact O-N 3.32Å; A316-F318 VanDerWaalsContact C-N 3.33Å; A316-F318 PolarHBondContact O-N 2.72Å; A316-F319 PolarHBondContact O-N 3.4Å; A316-F319 VanDerWaalsContact O-N 3.16Å; A316-S320 PolarHBondContact O-N 2.75Å; A316-S320 VanDerWaalsContact O-N 3.11Å; A316-Y348 HydrophobicContact CB-CD1 3.56Å; A316-Y348 HydrophobicContact CB-CD2 4.44Å; A316-Y348 HydrophobicContact CB-CE1 4.13Å; A316-Y348 HydrophobicContact CB-CG 3.75Å
317	Q	96.8	Very high	91.7	Very high	142 Å²	142	58.7 Å²	58.7	66%	0.664	33%	0.334	S	S	*	.	H	α-helix	trans	-61.6	-39.7	176.5	-68	174	-2	0	0	112.3	A313 M314 T315 F319 S320	A313-Q317 WeakPolarHBondContact O-CG 3.4Å; A313-Q317 PolarHBondContact O-N 2.99Å; M314-Q317 WeakPolarHBondContact O-CB 3.3Å; M314-Q317 PolarHBondContact O-N 2.91Å; T315-Q317 VanDerWaalsContact C-N 3.26Å; T315-Q317 PolarHBondContact O-N 3.25Å; Q317-F319 VanDerWaalsContact C-N 3.3Å; Q317-F319 PolarHBondContact O-N 2.75Å; Q317-S320 WeakPolarHBondContact O-CB 3.37Å; Q317-S320 PolarHBondContact O-N 3.33Å; Q317-S320 PolarHBondContact O-OG 2.82Å
318	F	96.9	Very high	93.4	Very high	53 Å²	53	55.6 Å²	55.6	23%	0.232	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-32.8	176.2	-84.3	-77.5	0	0	0	112.7	V193 Y196 R197 F237 M314 T315 A316	V193-F318 HydrophobicContact CB-CD2 4.45Å; V193-F318 HydrophobicContact CG1-CD2 3.37Å; V193-F318 HydrophobicContact CG1-CE2 3.55Å; V193-F318 HydrophobicContact CG1-CG 4.07Å; V193-F318 HydrophobicContact CG1-CZ 4.36Å; V193-F318 HydrophobicContact CG2-CB 4.01Å; V193-F318 HydrophobicContact CG2-CD2 4.17Å; V193-F318 HydrophobicContact CG2-CG 4.16Å; Y196-F318 AromaticContact CD1-CE1 3.91Å; Y196-F318 HydrophobicContact CD1-CE1 3.91Å; Y196-F318 HydrophobicContact CD1-CZ 4.38Å; Y196-F318 HydrophobicContact CE1-CD1 4.39Å; Y196-F318 AromaticContact CE1-CE1 3.6Å; Y196-F318 HydrophobicContact CE1-CE1 3.6Å; Y196-F318 HydrophobicContact CE1-CZ 4.27Å; R197-F318 HydrophobicContact CG-CE2 4.23Å; R197-F318 HydrophobicContact CG-CZ 3.95Å; F237-F318 HydrophobicContact CB-CD1 3.74Å; F237-F318 HydrophobicContact CB-CE1 4.23Å; F237-F318 HydrophobicContact CD1-CB 3.78Å; F237-F318 AromaticContact CD1-CD1 3.9Å; F237-F318 HydrophobicContact CD1-CD1 3.9Å; F237-F318 HydrophobicContact CD1-CG 4.3Å; F237-F318 VanDerWaalsContact CD1-O 3.3Å; F237-F318 WeakPolarHBondContact CD1-O 3.46Å; F237-F318 AromaticContact CD2-CD1 3.98Å; F237-F318 HydrophobicContact CD2-CD1 3.98Å; F237-F318 HydrophobicContact CE1-CB 3.71Å; F237-F318 HydrophobicContact CG-CB 4.3Å; F237-F318 AromaticContact CG-CD1 3.59Å; F237-F318 HydrophobicContact CG-CD1 3.59Å; F237-F318 HydrophobicContact CG-CE1 4.4Å; F237-F318 HydrophobicContact CG-CG 4.34Å; F237-F318 HydrophobicContact CZ-CB 4.17Å; M314-F318 HydrophobicContact CG-CD2 4.28Å; M314-F318 HydrophobicContact CG-CE2 4.05Å; M314-F318 WeakPolarHBondContact O-CD2 3.35Å; M314-F318 PolarHBondContact O-N 3.44Å; T315-F318 WeakPolarHBondContact O-CB 3.34Å; T315-F318 PolarHBondContact O-N 3.28Å; A316-F318 VanDerWaalsContact C-N 3.33Å; A316-F318 PolarHBondContact O-N 2.72Å
319	F	97	Very high	94.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-83.1	-11.6	-179.4	-82.7	-101.6	0	0	0	114.1	F189 V193 F237 T315 A316 Q317 N321 I322 Q327 L330 Y348 L349	F189-F319 HydrophobicContact CB-CE2 4.07Å; F189-F319 HydrophobicContact CB-CZ 4.03Å; F189-F319 HydrophobicContact CD1-CZ 4.26Å; F189-F319 AromaticContact CD2-CE1 3.75Å; F189-F319 HydrophobicContact CD2-CE1 3.75Å; F189-F319 HydrophobicContact CD2-CE2 4.12Å; F189-F319 AromaticContact CD2-CZ 3.43Å; F189-F319 HydrophobicContact CD2-CZ 3.43Å; F189-F319 VanDerWaalsContact CD2-CZ 3.43Å; F189-F319 AromaticContact CE2-CE1 3.73Å; F189-F319 HydrophobicContact CE2-CE1 3.73Å; F189-F319 AromaticContact CE2-CZ 3.81Å; F189-F319 HydrophobicContact CE2-CZ 3.81Å; F189-F319 HydrophobicContact CG-CE1 4.41Å; F189-F319 HydrophobicContact CG-CE2 4.21Å; F189-F319 AromaticContact CG-CZ 3.66Å; F189-F319 HydrophobicContact CG-CZ 3.66Å; F189-F319 HydrophobicContact CZ-CE1 4.41Å; F189-F319 HydrophobicContact CZ-CZ 4.4Å; V193-F319 HydrophobicContact CG2-CE2 4.24Å; F237-F319 HydrophobicContact CE1-CD2 4.13Å; F237-F319 HydrophobicContact CE1-CE2 4.06Å; F237-F319 HydrophobicContact CZ-CD2 4.37Å; F237-F319 AromaticContact CZ-CE2 3.89Å; F237-F319 HydrophobicContact CZ-CE2 3.89Å; F237-F319 HydrophobicContact CZ-CZ 4.36Å; T315-F319 HydrophobicContact CG2-CD2 4.01Å; T315-F319 HydrophobicContact CG2-CE2 3.89Å; T315-F319 WeakPolarHBondContact O-CD2 3.22Å; T315-F319 PolarHBondContact O-N 3.02Å; T315-F319 VanDerWaalsContact O-N 3.17Å; A316-F319 PolarHBondContact O-N 3.4Å; A316-F319 VanDerWaalsContact O-N 3.16Å; Q317-F319 VanDerWaalsContact C-N 3.3Å; Q317-F319 PolarHBondContact O-N 2.75Å; F319-N321 PolarHBondContact O-N 2.76Å; F319-N321 VanDerWaalsContact O-N 3.1Å; F319-I322 PolarHBondContact O-N 3.36Å; F319-I322 VanDerWaalsContact O-N 3.11Å; F319-Q327 HydrophobicContact CD1-CG 4.14Å; F319-L330 HydrophobicContact CE1-CD2 3.71Å; F319-L330 HydrophobicContact CZ-CD2 3.67Å; F319-Y348 HydrophobicContact CB-CD2 3.93Å; F319-Y348 HydrophobicContact CB-CE2 4Å; F319-Y348 HydrophobicContact CD1-CE2 4.31Å; F319-Y348 HydrophobicContact CD2-CE2 4.03Å; F319-Y348 HydrophobicContact CG-CD2 4.27Å; F319-Y348 AromaticContact CG-CE2 3.85Å; F319-Y348 HydrophobicContact CG-CE2 3.85Å; F319-L349 HydrophobicContact CD1-CD2 3.67Å; F319-L349 HydrophobicContact CE1-CD2 3.9Å; F319-L349 HydrophobicContact CG-CD2 4.42Å
320	S	94.4	Very high	95.3	Very high	76 Å²	76	50.7 Å²	50.7	53%	0.531	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.3	-178.4	62.5	0	0	0	0	114.3	A316 Q317	A316-S320 PolarHBondContact O-N 2.75Å; A316-S320 VanDerWaalsContact O-N 3.11Å; Q317-S320 WeakPolarHBondContact O-CB 3.37Å; Q317-S320 PolarHBondContact O-N 3.33Å; Q317-S320 PolarHBondContact O-OG 2.82Å
321	N	91.3	Very high	95.8	Very high	131 Å²	131	51.8 Å²	51.8	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	14.2	-176.3	-69.5	-33	0	0	0	114.1	F319	F319-N321 PolarHBondContact O-N 2.76Å; F319-N321 VanDerWaalsContact O-N 3.1Å
322	I	96.9	Very high	96	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.046	30%	0.298	C	S	.	.	S	Bend	trans	-97	132.3	177.9	-53.8	-57.7	0	0	0	108.9	F237 K238 I241 F319 Q326 Q327	F237-I322 HydrophobicContact CD1-CD1 4.01Å; F237-I322 HydrophobicContact CD1-CG1 4.27Å; F237-I322 HydrophobicContact CE1-CD1 4.33Å; F237-I322 HydrophobicContact CE1-CG1 4.2Å; K238-I322 HydrophobicContact CB-CD1 3.85Å; K238-I322 HydrophobicContact CG-CD1 4.07Å; I241-I322 HydrophobicContact CB-CD1 4.4Å; I241-I322 HydrophobicContact CG1-CD1 4.11Å; I241-I322 HydrophobicContact CG2-CG2 4.16Å; F319-I322 PolarHBondContact O-N 3.36Å; F319-I322 VanDerWaalsContact O-N 3.11Å; I322-Q326 HydrophobicContact CG2-CB 3.6Å; I322-Q327 HydrophobicContact CB-CG 4.13Å; I322-Q327 HydrophobicContact CG2-CG 3.73Å; I322-Q327 PolarHBondContact O-NE2 2.83Å
323	S	95.8	Very high	96.2	Very high	52 Å²	52	53 Å²	53	36%	0.364	29%	0.291	S	S	.	.			trans	-68.4	150.8	-178.7	68.7	0	0	0	0	111.6	Q325 Q326 Q327	S323-Q325 PolarHBondContact O-N 2.84Å; S323-Q326 PolarHBondContact O-N 3.01Å; S323-Q326 WeakPolarHBondContact OG-CG 3.43Å; S323-Q326 PolarHBondContact OG-N 3.31Å; S323-Q326 PolarHBondContact OG-OE1 3.06Å; S323-Q327 WeakPolarHBondContact O-CG 3.44Å; S323-Q327 PolarHBondContact O-N 3.08Å
324	S	95.9	Very high	96.4	Very high	50 Å²	50	50.2 Å²	50.2	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-53.8	-41.1	177.8	-48.2	0	0	0	0	111.9	Q326 Q327 V328 K350	S324-Q326 PolarHBondContact O-N 3.19Å; S324-Q327 WeakPolarHBondContact O-CB 3.21Å; S324-Q327 PolarHBondContact O-N 3.01Å; S324-Q327 VanDerWaalsContact O-N 3.13Å; S324-V328 WeakPolarHBondContact O-CG2 3.5Å; S324-V328 PolarHBondContact O-N 3.03Å; S324-K350 WeakPolarHBondContact CB-O 3.46Å; S324-K350 WeakPolarHBondContact OG-CB 3.43Å
325	Q	95.9	Very high	96.5	Very high	138 Å²	138	51.6 Å²	51.6	65%	0.645	27%	0.272	S	S	*	.	H	α-helix	trans	-57.3	-47.5	175	-173.7	-176.7	17.1	0	0	112.6	S323 Q327 V328 Q329	S323-Q325 PolarHBondContact O-N 2.84Å; Q325-Q327 VanDerWaalsContact C-N 3.31Å; Q325-Q327 PolarHBondContact O-N 3.42Å; Q325-V328 PolarHBondContact O-N 3.24Å; Q325-Q329 VanDerWaalsContact O-CG 3.3Å; Q325-Q329 WeakPolarHBondContact O-CG 3.34Å; Q325-Q329 PolarHBondContact O-N 2.81Å
326	Q	96.3	Very high	96.4	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-37.3	177.4	-74.6	178.5	-42.3	0	0	111.2	I241 I322 S323 S324 Q329 L330	I241-Q326 HydrophobicContact CG2-CB 4.15Å; I322-Q326 HydrophobicContact CG2-CB 3.6Å; S323-Q326 PolarHBondContact O-N 3.01Å; S323-Q326 WeakPolarHBondContact OG-CG 3.43Å; S323-Q326 PolarHBondContact OG-N 3.31Å; S323-Q326 PolarHBondContact OG-OE1 3.06Å; S324-Q326 PolarHBondContact O-N 3.19Å; Q326-Q329 PolarHBondContact O-N 2.89Å; Q326-L330 WeakPolarHBondContact O-CB 3.3Å; Q326-L330 PolarHBondContact O-N 3.29Å
327	Q	97.4	Very high	96.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-43.8	176.5	-63.4	-175.3	33.1	0	0	111.8	F319 I322 S323 S324 Q325 L330 Y331 L349	F319-Q327 HydrophobicContact CD1-CG 4.14Å; I322-Q327 HydrophobicContact CB-CG 4.13Å; I322-Q327 HydrophobicContact CG2-CG 3.73Å; I322-Q327 PolarHBondContact O-NE2 2.83Å; S323-Q327 WeakPolarHBondContact O-CG 3.44Å; S323-Q327 PolarHBondContact O-N 3.08Å; S324-Q327 WeakPolarHBondContact O-CB 3.21Å; S324-Q327 PolarHBondContact O-N 3.01Å; S324-Q327 VanDerWaalsContact O-N 3.13Å; Q325-Q327 VanDerWaalsContact C-N 3.31Å; Q325-Q327 PolarHBondContact O-N 3.42Å; Q327-L330 PolarHBondContact O-N 3.18Å; Q327-Y331 WeakPolarHBondContact O-CB 3.34Å; Q327-Y331 PolarHBondContact O-N 2.95Å; Q327-L349 HydrophobicContact CB-CD2 4.48Å; Q327-L349 HydrophobicContact CG-CD2 4.48Å; Q327-L349 VanDerWaalsContact OE1-CA 3.25Å
328	V	97.3	Very high	96.6	Very high	46 Å²	46	45.4 Å²	45.4	28%	0.279	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-49.4	174.8	170.7	0	0	0	0	110.6	S324 Q325 L330 Y331 Q332 L351	S324-V328 WeakPolarHBondContact O-CG2 3.5Å; S324-V328 PolarHBondContact O-N 3.03Å; Q325-V328 PolarHBondContact O-N 3.24Å; V328-L330 VanDerWaalsContact C-N 3.33Å; V328-L330 PolarHBondContact O-N 3.39Å; V328-Y331 PolarHBondContact O-N 2.87Å; V328-Q332 WeakPolarHBondContact O-CG 3.46Å; V328-Q332 PolarHBondContact O-N 3.5Å; V328-L351 HydrophobicContact CG2-CB 4.39Å; V328-L351 HydrophobicContact CG2-CD2 3.98Å
329	Q	97.1	Very high	96.6	Very high	76 Å²	76	46.4 Å²	46.4	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-43.3	179.1	-71.5	173.5	-37.5	0	0	111.9	V245 Q325 Q326 Q332 L333	V245-Q329 HydrophobicContact CB-CB 3.83Å; V245-Q329 HydrophobicContact CG1-CB 3.77Å; Q325-Q329 VanDerWaalsContact O-CG 3.3Å; Q325-Q329 WeakPolarHBondContact O-CG 3.34Å; Q325-Q329 PolarHBondContact O-N 2.81Å; Q326-Q329 PolarHBondContact O-N 2.89Å; Q329-Q332 PolarHBondContact O-N 2.95Å; Q329-L333 PolarHBondContact O-N 3.39Å
330	L	97.7	Very high	96.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-41	177.5	-169.1	71.5	0	0	0	111.5	F189 L192 I241 L244 V245 F319 Q326 Q327 V328 Q332 L333 Y334	F189-L330 HydrophobicContact CD1-CD2 4.44Å; F189-L330 HydrophobicContact CE1-CD2 3.87Å; F189-L330 HydrophobicContact CE1-CG 3.83Å; F189-L330 HydrophobicContact CE2-CD2 4.44Å; F189-L330 HydrophobicContact CZ-CB 4.33Å; F189-L330 HydrophobicContact CZ-CD2 3.87Å; F189-L330 HydrophobicContact CZ-CG 3.93Å; L192-L330 HydrophobicContact CD2-CD1 4.01Å; L192-L330 HydrophobicContact CD2-CD2 3.82Å; L192-L330 HydrophobicContact CD2-CG 4.32Å; I241-L330 HydrophobicContact CD1-CD1 4.2Å; I241-L330 HydrophobicContact CD1-CD2 3.67Å; I241-L330 HydrophobicContact CG1-CD2 4.47Å; I241-L330 HydrophobicContact CG2-CD2 4.32Å; L244-L330 HydrophobicContact CB-CD1 4.32Å; L244-L330 HydrophobicContact CD1-CD1 4.15Å; V245-L330 HydrophobicContact CG1-CB 3.99Å; V245-L330 HydrophobicContact CG1-CD1 4.1Å; F319-L330 HydrophobicContact CE1-CD2 3.71Å; F319-L330 HydrophobicContact CZ-CD2 3.67Å; Q326-L330 WeakPolarHBondContact O-CB 3.3Å; Q326-L330 PolarHBondContact O-N 3.29Å; Q327-L330 PolarHBondContact O-N 3.18Å; V328-L330 VanDerWaalsContact C-N 3.33Å; V328-L330 PolarHBondContact O-N 3.39Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-Q332 PolarHBondContact O-N 2.86Å; L330-L333 HydrophobicContact CD1-CD2 4.36Å; L330-L333 WeakPolarHBondContact O-CB 3.37Å; L330-L333 PolarHBondContact O-N 3.49Å; L330-Y334 HydrophobicContact CD1-CD2 4.16Å; L330-Y334 HydrophobicContact CD1-CE2 3.76Å; L330-Y334 HydrophobicContact CG-CD2 4.23Å; L330-Y334 HydrophobicContact CG-CE2 4.27Å; L330-Y334 WeakPolarHBondContact O-CD2 3.45Å; L330-Y334 PolarHBondContact O-N 3.31Å; L330-Y334 VanDerWaalsContact O-N 3.14Å
331	Y	97.9	Very high	96.7	Very high	24 Å²	24	43 Å²	43	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-44.6	173.9	175.2	-102.7	0	0	0	110.9	Q327 V328 L333 Y334 K335 F338 I345 L351	Q327-Y331 WeakPolarHBondContact O-CB 3.34Å; Q327-Y331 PolarHBondContact O-N 2.95Å; V328-Y331 PolarHBondContact O-N 2.87Å; Y331-L333 VanDerWaalsContact C-N 3.27Å; Y331-L333 PolarHBondContact O-N 2.85Å; Y331-Y334 CarbonylContact O-C 3.59Å; Y331-Y334 PolarHBondContact O-N 3.48Å; Y331-Y334 VanDerWaalsContact O-N 3.16Å; Y331-K335 HydrophobicContact CE1-CD 4.42Å; Y331-K335 HydrophobicContact CE1-CG 4.27Å; Y331-K335 VanDerWaalsContact O-CA 3.3Å; Y331-K335 WeakPolarHBondContact O-CA 3.43Å; Y331-K335 WeakPolarHBondContact O-CB 3.3Å; Y331-K335 PolarHBondContact O-N 3Å; Y331-F338 AromaticContact CD2-CD2 3.89Å; Y331-F338 HydrophobicContact CD2-CD2 3.89Å; Y331-F338 AromaticContact CD2-CE2 3.95Å; Y331-F338 HydrophobicContact CD2-CE2 3.95Å; Y331-F338 HydrophobicContact CE2-CB 4.29Å; Y331-F338 AromaticContact CE2-CD2 3.75Å; Y331-F338 HydrophobicContact CE2-CD2 3.75Å; Y331-F338 HydrophobicContact CE2-CE2 4.21Å; Y331-F338 AromaticContact CE2-CG 3.95Å; Y331-F338 HydrophobicContact CE2-CG 3.95Å; Y331-I345 HydrophobicContact CE2-CD1 4.2Å; Y331-I345 HydrophobicContact CE2-CG1 3.91Å; Y331-L351 HydrophobicContact CD1-CD1 4.36Å; Y331-L351 HydrophobicContact CG-CD1 4.36Å
332	Q	96.6	Very high	97	Very high	104 Å²	104	41.9 Å²	41.9	49%	0.486	22%	0.215	S	C	.	.	H	α-helix	trans	-59.9	-38.3	175.7	-64.8	-53.3	-34.7	0	0	112.2	V328 Q329 L330 Y334 K335	V328-Q332 WeakPolarHBondContact O-CG 3.46Å; V328-Q332 PolarHBondContact O-N 3.5Å; Q329-Q332 PolarHBondContact O-N 2.95Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-Q332 PolarHBondContact O-N 2.86Å; Q332-Y334 VanDerWaalsContact C-N 3.35Å; Q332-Y334 PolarHBondContact O-N 3.13Å; Q332-K335 WeakPolarHBondContact O-CB 3.16Å; Q332-K335 PolarHBondContact O-N 3.21Å; Q332-K335 VanDerWaalsContact OE1-CD 3.32Å
333	L	96.9	Very high	97.1	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-41.3	175.9	179.5	64.3	0	0	0	112.3	L244 L255 T261 Q329 L330 Y331	L244-L333 HydrophobicContact CB-CD2 4.25Å; L255-L333 HydrophobicContact CD1-CD1 4.38Å; L255-L333 HydrophobicContact CD1-CD2 4.09Å; T261-L333 WeakPolarHBondContact CG2-O 3.2Å; Q329-L333 PolarHBondContact O-N 3.39Å; L330-L333 HydrophobicContact CD1-CD2 4.36Å; L330-L333 WeakPolarHBondContact O-CB 3.37Å; L330-L333 PolarHBondContact O-N 3.49Å; Y331-L333 VanDerWaalsContact C-N 3.27Å; Y331-L333 PolarHBondContact O-N 2.85Å
334	Y	97.8	Very high	97.1	Very high	2 Å²	2	45 Å²	45	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-99.6	4	-179	-68.8	-83.9	0	0	0	114.5	P188 F189 L192 W259 T261 L330 Y331 Q332 M336 D337 F338	P188-Y334 HydrophobicContact CB-CD1 4.23Å; P188-Y334 HydrophobicContact CB-CG 4.3Å; F189-Y334 HydrophobicContact CD1-CD2 4.48Å; F189-Y334 AromaticContact CE1-CD2 3.86Å; F189-Y334 HydrophobicContact CE1-CD2 3.86Å; F189-Y334 HydrophobicContact CE1-CG 4.3Å; L192-Y334 WeakPolarHBondContact CD1-OH 3.44Å; L192-Y334 HydrophobicContact CD2-CE2 4.07Å; W259-Y334 PolarHBondContact O-OH 3.48Å; T261-Y334 HydrophobicContact CG2-CD1 3.7Å; T261-Y334 HydrophobicContact CG2-CE1 3.95Å; T261-Y334 HydrophobicContact CG2-CG 4.37Å; L330-Y334 HydrophobicContact CD1-CD2 4.16Å; L330-Y334 HydrophobicContact CD1-CE2 3.76Å; L330-Y334 HydrophobicContact CG-CD2 4.23Å; L330-Y334 HydrophobicContact CG-CE2 4.27Å; L330-Y334 WeakPolarHBondContact O-CD2 3.45Å; L330-Y334 PolarHBondContact O-N 3.31Å; L330-Y334 VanDerWaalsContact O-N 3.14Å; Y331-Y334 CarbonylContact O-C 3.59Å; Y331-Y334 PolarHBondContact O-N 3.48Å; Y331-Y334 VanDerWaalsContact O-N 3.16Å; Q332-Y334 VanDerWaalsContact C-N 3.35Å; Q332-Y334 PolarHBondContact O-N 3.13Å; Y334-M336 PolarHBondContact O-N 3.42Å; Y334-M336 VanDerWaalsContact O-N 3.1Å; Y334-D337 WeakPolarHBondContact O-CB 3.37Å; Y334-D337 PolarHBondContact O-N 3.46Å; Y334-F338 PolarHBondContact O-N 3.4Å
335	K	96.8	Very high	97.1	Very high	82 Å²	82	46.6 Å²	46.6	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-52.7	-40.8	-171.7	178.9	175.4	178.9	-178.3	0	112.8	Y331 Q332 D337 F338 L339	Y331-K335 HydrophobicContact CE1-CD 4.42Å; Y331-K335 HydrophobicContact CE1-CG 4.27Å; Y331-K335 VanDerWaalsContact O-CA 3.3Å; Y331-K335 WeakPolarHBondContact O-CA 3.43Å; Y331-K335 WeakPolarHBondContact O-CB 3.3Å; Y331-K335 PolarHBondContact O-N 3Å; Q332-K335 WeakPolarHBondContact O-CB 3.16Å; Q332-K335 PolarHBondContact O-N 3.21Å; Q332-K335 VanDerWaalsContact OE1-CD 3.32Å; K335-D337 VanDerWaalsContact C-N 3.33Å; K335-D337 PolarHBondContact O-N 3.16Å; K335-F338 PolarHBondContact O-N 3.25Å; K335-L339 HydrophobicContact CG-CD1 3.87Å; K335-L339 HydrophobicContact CG-CG 4.32Å; K335-L339 WeakPolarHBondContact O-CG 3.36Å; K335-L339 PolarHBondContact O-N 3.1Å
336	M	95.9	Very high	97.1	Very high	36 Å²	36	40.5 Å²	40.5	18%	0.177	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-37.8	178.7	-72.6	-52.1	-55.5	0	0	112.5	N92 Y263 Y334 M340	N92-M336 HydrophobicContact CB-CE 3.77Å; N92-M336 HydrophobicContact CB-SD 4.32Å; Y263-M336 HydrophobicContact CD1-CB 4.31Å; Y263-M336 HydrophobicContact CD1-CG 4.45Å; Y263-M336 HydrophobicContact CD2-CB 4.34Å; Y263-M336 HydrophobicContact CE2-CE 4.49Å; Y263-M336 HydrophobicContact CG-CB 3.99Å; Y334-M336 PolarHBondContact O-N 3.42Å; Y334-M336 VanDerWaalsContact O-N 3.1Å; M336-M340 HydrophobicContact CE-CE 3.98Å; M336-M340 WeakPolarHBondContact O-CB 3.38Å; M336-M340 PolarHBondContact O-N 3.11Å
337	D	98.2	Very high	97	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-40.5	177	-70.9	-1	0	0	0	110.9	P188 T261 V262 Y263 Y334 K335 F341	P188-D337 HydrophobicContact CG-CB 3.82Å; T261-D337 WeakPolarHBondContact CA-OD2 3.42Å; T261-D337 WeakPolarHBondContact CB-OD2 3.37Å; V262-D337 PolarHBondContact N-OD1 3.17Å; V262-D337 PolarHBondContact N-OD2 3.1Å; Y263-D337 WeakPolarHBondContact CB-OD1 3.48Å; Y263-D337 PolarHBondContact N-OD1 3.41Å; Y334-D337 WeakPolarHBondContact O-CB 3.37Å; Y334-D337 PolarHBondContact O-N 3.46Å; K335-D337 VanDerWaalsContact C-N 3.33Å; K335-D337 PolarHBondContact O-N 3.16Å; D337-F341 HydrophobicContact CB-CD2 4.25Å; D337-F341 HydrophobicContact CB-CE2 4.49Å; D337-F341 WeakPolarHBondContact O-CB 3.5Å; D337-F341 VanDerWaalsContact O-CD2 3.24Å; D337-F341 WeakPolarHBondContact O-CD2 3.41Å; D337-F341 PolarHBondContact O-N 2.69Å; D337-F341 VanDerWaalsContact O-N 3.16Å
338	F	98.1	Very high	96.8	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-53.7	174.9	-83.5	-78.3	0	0	0	112	E187 P188 F189 Y331 Y334 K335 N342 Y343 P346	E187-F338 WeakPolarHBondContact OE1-CE1 3.17Å; E187-F338 WeakPolarHBondContact OE1-CZ 3.25Å; P188-F338 HydrophobicContact CB-CD2 4.14Å; P188-F338 HydrophobicContact CB-CE2 3.65Å; P188-F338 HydrophobicContact CB-CZ 3.91Å; P188-F338 HydrophobicContact CG-CD1 4.17Å; P188-F338 HydrophobicContact CG-CD2 3.75Å; P188-F338 HydrophobicContact CG-CE1 4.1Å; P188-F338 HydrophobicContact CG-CE2 3.69Å; P188-F338 HydrophobicContact CG-CG 3.99Å; P188-F338 HydrophobicContact CG-CZ 3.87Å; F189-F338 HydrophobicContact CD1-CE2 4.18Å; F189-F338 HydrophobicContact CD1-CZ 4.25Å; F189-F338 HydrophobicContact CD2-CZ 4.29Å; F189-F338 AromaticContact CE1-CE2 3.95Å; F189-F338 HydrophobicContact CE1-CE2 3.95Å; F189-F338 HydrophobicContact CE1-CZ 4.38Å; F189-F338 HydrophobicContact CE2-CZ 4.45Å; F189-F338 HydrophobicContact CG-CZ 4.21Å; F189-F338 HydrophobicContact CZ-CE2 4.16Å; F189-F338 HydrophobicContact CZ-CZ 4.48Å; Y331-F338 AromaticContact CD2-CD2 3.89Å; Y331-F338 HydrophobicContact CD2-CD2 3.89Å; Y331-F338 AromaticContact CD2-CE2 3.95Å; Y331-F338 HydrophobicContact CD2-CE2 3.95Å; Y331-F338 HydrophobicContact CE2-CB 4.29Å; Y331-F338 AromaticContact CE2-CD2 3.75Å; Y331-F338 HydrophobicContact CE2-CD2 3.75Å; Y331-F338 HydrophobicContact CE2-CE2 4.21Å; Y331-F338 AromaticContact CE2-CG 3.95Å; Y331-F338 HydrophobicContact CE2-CG 3.95Å; Y334-F338 PolarHBondContact O-N 3.4Å; K335-F338 PolarHBondContact O-N 3.25Å; F338-N342 PolarHBondContact O-N 3Å; F338-Y343 PolarHBondContact O-N 3.33Å; F338-P346 HydrophobicContact CE1-CG 4.27Å; F338-P346 HydrophobicContact CZ-CG 4.37Å
339	L	96.9	Very high	96.6	Very high	74 Å²	74	46 Å²	46	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-48.1	-176.3	-65.5	176.9	0	0	0	111.8	K84 S88 K335 F341 N342	K84-L339 WeakPolarHBondContact CE-O 3.39Å; S88-L339 PolarHBondContact OG-O 2.93Å; K335-L339 HydrophobicContact CG-CD1 3.87Å; K335-L339 HydrophobicContact CG-CG 4.32Å; K335-L339 WeakPolarHBondContact O-CG 3.36Å; K335-L339 PolarHBondContact O-N 3.1Å; L339-F341 PolarHBondContact O-N 3.23Å; L339-N342 PolarHBondContact O-N 2.82Å
340	M	96.3	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-36.4	-173.3	-177.7	172	-69.8	0	0	113.1	V85 S88 C89 Y263 P268 C269 M336	V85-M340 HydrophobicContact CB-CG 4.13Å; V85-M340 HydrophobicContact CG1-CG 3.94Å; V85-M340 HydrophobicContact CG1-SD 4.04Å; V85-M340 HydrophobicContact CG2-CG 3.84Å; S88-M340 WeakPolarHBondContact OG-CA 3.42Å; C89-M340 VanDerWaalsContact SG-CE 3.51Å; Y263-M340 HydrophobicContact CD2-CE 3.64Å; Y263-M340 HydrophobicContact CD2-SD 4.32Å; Y263-M340 HydrophobicContact CE2-CE 4.02Å; P268-M340 HydrophobicContact CB-SD 3.89Å; P268-M340 HydrophobicContact CG-CE 4Å; P268-M340 HydrophobicContact CG-SD 3.16Å; P268-M340 WeakPolarHBondContact CG-SD 3.47Å; C269-M340 VanDerWaalsContact SG-CE 3.6Å; M336-M340 HydrophobicContact CE-CE 3.98Å; M336-M340 WeakPolarHBondContact O-CB 3.38Å; M336-M340 PolarHBondContact O-N 3.11Å
341	F	98.1	Very high	95.9	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.035	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.5	-177.6	-57.1	-60.5	0	0	0	113.2	V85 L183 V185 V262 P268 V276 K278 D337 L339 Y343	V85-F341 HydrophobicContact CG2-CD1 4.04Å; V85-F341 HydrophobicContact CG2-CE1 3.86Å; L183-F341 HydrophobicContact CD1-CE1 4.21Å; L183-F341 HydrophobicContact CD1-CZ 4.14Å; V185-F341 HydrophobicContact CB-CB 4.48Å; V185-F341 HydrophobicContact CB-CD1 4.25Å; V185-F341 HydrophobicContact CB-CD2 4.22Å; V185-F341 HydrophobicContact CB-CG 4.03Å; V185-F341 HydrophobicContact CG1-CD1 3.68Å; V185-F341 HydrophobicContact CG1-CD2 3.89Å; V185-F341 HydrophobicContact CG1-CE1 3.6Å; V185-F341 HydrophobicContact CG1-CE2 3.86Å; V185-F341 HydrophobicContact CG1-CG 3.83Å; V185-F341 HydrophobicContact CG1-CZ 3.7Å; V185-F341 HydrophobicContact CG2-CB 3.87Å; V185-F341 HydrophobicContact CG2-CD1 3.89Å; V185-F341 HydrophobicContact CG2-CD2 4.46Å; V185-F341 HydrophobicContact CG2-CG 3.79Å; V262-F341 HydrophobicContact CB-CE2 3.73Å; V262-F341 HydrophobicContact CB-CZ 4.25Å; V262-F341 HydrophobicContact CG1-CE2 3.64Å; V262-F341 HydrophobicContact CG1-CZ 3.62Å; V262-F341 HydrophobicContact CG2-CE2 4.48Å; P268-F341 HydrophobicContact CG-CZ 4.46Å; V276-F341 HydrophobicContact CG1-CD1 3.89Å; V276-F341 HydrophobicContact CG1-CE1 4.1Å; K278-F341 WeakPolarHBondContact CE-O 3.5Å; K278-F341 PolarHBondContact NZ-O 3.23Å; D337-F341 HydrophobicContact CB-CD2 4.25Å; D337-F341 HydrophobicContact CB-CE2 4.49Å; D337-F341 WeakPolarHBondContact O-CB 3.5Å; D337-F341 VanDerWaalsContact O-CD2 3.24Å; D337-F341 WeakPolarHBondContact O-CD2 3.41Å; D337-F341 PolarHBondContact O-N 2.69Å; D337-F341 VanDerWaalsContact O-N 3.16Å; L339-F341 PolarHBondContact O-N 3.23Å; F341-Y343 HydrophobicContact CB-CD2 3.73Å; F341-Y343 HydrophobicContact CB-CE2 3.63Å; F341-Y343 PolarHBondContact O-N 3.3Å
342	N	97.8	Very high	94.7	Very high	109 Å²	109	59.4 Å²	59.4	58%	0.583	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	49.4	177.1	-150.3	45.2	0	0	0	112.8	K84 K278 F338 L339	K84-N342 HydrophobicContact CG-CB 4.11Å; K278-N342 PolarHBondContact NZ-O 3.01Å; F338-N342 PolarHBondContact O-N 3Å; L339-N342 PolarHBondContact O-N 2.82Å
343	Y	98.1	Very high	94.6	Very high	28 Å²	28	57.2 Å²	57.2	11%	0.11	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-93.1	135.5	169.8	-72.7	-72.2	0	0	0	109.4	V185 R186 E187 K278 E280 F338 F341	V185-Y343 HydrophobicContact CG2-CE2 4.02Å; R186-Y343 VanDerWaalsContact C-OH 3.25Å; R186-Y343 WeakPolarHBondContact CA-OH 3.45Å; R186-Y343 PolarHBondContact N-OH 3.09Å; E187-Y343 HydrophobicContact CB-CD1 3.92Å; E187-Y343 HydrophobicContact CB-CE1 3.9Å; E187-Y343 HydrophobicContact CG-CD1 4.01Å; E187-Y343 HydrophobicContact CG-CE1 4.49Å; E187-Y343 HydrophobicContact CG-CG 4.46Å; E187-Y343 PolarHBondContact N-OH 3.32Å; K278-Y343 HydrophobicContact CD-CE1 4.32Å; E280-Y343 PolarHBondContact OE2-OH 2.88Å; F338-Y343 PolarHBondContact O-N 3.33Å; F341-Y343 HydrophobicContact CB-CD2 3.73Å; F341-Y343 HydrophobicContact CB-CE2 3.63Å; F341-Y343 PolarHBondContact O-N 3.3Å
344	S	96.4	Very high	94.5	Very high	99 Å²	99	57.7 Å²	57.7	69%	0.692	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-68.5	149.4	171.2	50	0	0	0	0	110.4	P346	S344-P346 WeakPolarHBondContact O-CD 3.43Å
345	I	95.9	Very high	94.3	Very high	83 Å²	83	60.8 Å²	60.8	43%	0.426	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-64.1	125.4	168.1	-58.6	179.5	0	0	0	107.7	Y331 S347 L349 L351	Y331-I345 HydrophobicContact CE2-CD1 4.2Å; Y331-I345 HydrophobicContact CE2-CG1 3.91Å; I345-S347 PolarHBondContact O-N 3.11Å; I345-L349 HydrophobicContact CG2-CD1 4.01Å; I345-L351 HydrophobicContact CD1-CD1 4.12Å; I345-L351 HydrophobicContact CG2-CD1 3.59Å
346	P	95.1	Very high	94.1	Very high	9 Å²	9	59.6 Å²	59.6	6%	0.058	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-62.3	135.9	179.3	-19.9	28.3	0	0	0	112	F189 F338 S344 Y348 L349	F189-P346 HydrophobicContact CD2-CG 4.46Å; F338-P346 HydrophobicContact CE1-CG 4.27Å; F338-P346 HydrophobicContact CZ-CG 4.37Å; S344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-Y348 HydrophobicContact CB-CD1 3.79Å; P346-Y348 HydrophobicContact CB-CD2 4.34Å; P346-Y348 HydrophobicContact CB-CE1 3.27Å; P346-Y348 HydrophobicContact CB-CE2 3.87Å; P346-Y348 HydrophobicContact CB-CG 4.29Å; P346-Y348 HydrophobicContact CG-CE1 4.2Å; P346-Y348 HydrophobicContact CG-CE2 4.45Å; P346-Y348 WeakPolarHBondContact CG-OH 3.4Å; P346-Y348 PolarHBondContact O-N 3.46Å; P346-L349 HydrophobicContact CB-CD1 4.44Å; P346-L349 HydrophobicContact CB-CG 4.2Å; P346-L349 HydrophobicContact CG-CD1 4.14Å; P346-L349 HydrophobicContact CG-CG 4.38Å; P346-L349 WeakPolarHBondContact O-CB 3.5Å; P346-L349 PolarHBondContact O-N 3.07Å
347	S	94.6	Very high	94	Very high	121 Å²	121	61.1 Å²	61.1	85%	0.846	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.6	-174.9	56.6	0	0	0	0	114.2	I345 L349	I345-S347 PolarHBondContact O-N 3.11Å; S347-L349 PolarHBondContact O-N 3.2Å
348	Y	93.6	Very high	93.7	Very high	41 Å²	41	64.9 Å²	64.9	16%	0.161	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.5	175.6	59.1	-104.1	0	0	0	113.4	D312 T315 A316 F319 P346	D312-Y348 WeakPolarHBondContact OD1-CE1 3.46Å; T315-Y348 WeakPolarHBondContact CG2-OH 3.04Å; A316-Y348 HydrophobicContact CB-CD1 3.56Å; A316-Y348 HydrophobicContact CB-CD2 4.44Å; A316-Y348 HydrophobicContact CB-CE1 4.13Å; A316-Y348 HydrophobicContact CB-CG 3.75Å; F319-Y348 HydrophobicContact CB-CD2 3.93Å; F319-Y348 HydrophobicContact CB-CE2 4Å; F319-Y348 HydrophobicContact CD1-CE2 4.31Å; F319-Y348 HydrophobicContact CD2-CE2 4.03Å; F319-Y348 HydrophobicContact CG-CD2 4.27Å; F319-Y348 AromaticContact CG-CE2 3.85Å; F319-Y348 HydrophobicContact CG-CE2 3.85Å; P346-Y348 HydrophobicContact CB-CD1 3.79Å; P346-Y348 HydrophobicContact CB-CD2 4.34Å; P346-Y348 HydrophobicContact CB-CE1 3.27Å; P346-Y348 HydrophobicContact CB-CE2 3.87Å; P346-Y348 HydrophobicContact CB-CG 4.29Å; P346-Y348 HydrophobicContact CG-CE1 4.2Å; P346-Y348 HydrophobicContact CG-CE2 4.45Å; P346-Y348 WeakPolarHBondContact CG-OH 3.4Å; P346-Y348 PolarHBondContact O-N 3.46Å
349	L	93.8	Very high	93.4	Very high	19 Å²	19	69.5 Å²	69.5	10%	0.099	38%	0.38	C	S	.	.			trans	-78.9	140.2	178.2	-63.9	-177.8	0	0	0	112	F189 F319 Q327 I345 P346 S347 L351	F189-L349 HydrophobicContact CD2-CD1 4Å; F189-L349 HydrophobicContact CD2-CD2 3.98Å; F189-L349 HydrophobicContact CD2-CG 4.46Å; F189-L349 HydrophobicContact CE2-CD1 3.44Å; F189-L349 VanDerWaalsContact CE2-CD1 3.44Å; F189-L349 HydrophobicContact CE2-CD2 3.65Å; F189-L349 HydrophobicContact CE2-CG 4.14Å; F189-L349 HydrophobicContact CZ-CD1 4.43Å; F319-L349 HydrophobicContact CD1-CD2 3.67Å; F319-L349 HydrophobicContact CE1-CD2 3.9Å; F319-L349 HydrophobicContact CG-CD2 4.42Å; Q327-L349 HydrophobicContact CB-CD2 4.48Å; Q327-L349 HydrophobicContact CG-CD2 4.48Å; Q327-L349 VanDerWaalsContact OE1-CA 3.25Å; I345-L349 HydrophobicContact CG2-CD1 4.01Å; P346-L349 HydrophobicContact CB-CD1 4.44Å; P346-L349 HydrophobicContact CB-CG 4.2Å; P346-L349 HydrophobicContact CG-CD1 4.14Å; P346-L349 HydrophobicContact CG-CG 4.38Å; P346-L349 WeakPolarHBondContact O-CB 3.5Å; P346-L349 PolarHBondContact O-N 3.07Å; S347-L349 PolarHBondContact O-N 3.2Å; L349-L351 HydrophobicContact CB-CD2 4.21Å; L349-L351 HydrophobicContact CB-CG 4.12Å; L349-L351 HydrophobicContact CD1-CD2 4.46Å
350	K	91.7	Very high	93.2	Very high	117 Å²	117	69.2 Å²	69.2	51%	0.509	38%	0.379	S	S	.	.			trans	-106.4	96.2	174.7	-59.6	175.3	-175.9	176.9	0	107.8	S324	S324-K350 WeakPolarHBondContact CB-O 3.46Å; S324-K350 WeakPolarHBondContact OG-CB 3.43Å
351	L	87.9	Confident	92.9	Very high	52 Å²	52	74.9 Å²	74.9	27%	0.272	41%	0.411	S	S	.	.			trans	-104.2	7.9	-175.5	-59.4	-173.9	0	0	0	114	V328 Y331 I345 L349	V328-L351 HydrophobicContact CG2-CB 4.39Å; V328-L351 HydrophobicContact CG2-CD2 3.98Å; Y331-L351 HydrophobicContact CD1-CD1 4.36Å; Y331-L351 HydrophobicContact CG-CD1 4.36Å; I345-L351 HydrophobicContact CD1-CD1 4.12Å; I345-L351 HydrophobicContact CG2-CD1 3.59Å; L349-L351 HydrophobicContact CB-CD2 4.21Å; L349-L351 HydrophobicContact CB-CG 4.12Å; L349-L351 HydrophobicContact CD1-CD2 4.46Å
352	D	71.9	Confident	92.4	Very high	213 Å²	213	81 Å²	81	100%	1.139	45%	0.445	S	S	*	.			trans	-72.9	0	179.9	-53.5	-35.3	0	0	0	113.3

Retrieved 352 of 352 residues in 265.2 ms (Link to these results)

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