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Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial

Iron-sulfur protein (IP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). Iron-sulfur protein (IP) subunit of the succinate dehydrogenase complex (mitochondrial respiratory chain complex II), responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). SDH also oxidizes malate to the non-canonical enol form of oxaloacetate, enol-oxaloacetate. Enol-oxaloacetate, which is a potent inhibitor of the succinate dehydrogenase activity, is further isomerized into keto-oxaloacetate.

AlphaFold DB , UniProt , Accession A0A087YJP8, Species POEFO (Poecilia formosa, Amazon molly), Gene SDHB, Length 283 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	36.4	Very low	247 Å²	247	147.9 Å²	147.9	100%	1.217	83%	0.833	S	S	*	*				0	138.5	0	-83	172.9	145.9	0	0	108.1
2	S	33.1	Very low	36.8	Very low	127 Å²	127	146.1 Å²	146.1	89%	0.888	84%	0.835	S	S	*	*			trans	-64.2	146.2	-144.3	-60.4	0	0	0	0	119.2
3	V	38.7	Very low	36.9	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	83%	0.827	S	S	*	*			trans	-68.9	143.4	154.6	177.9	0	0	0	0	109.9
4	A	32.8	Very low	37.2	Very low	82 Å²	82	141.9 Å²	141.9	68%	0.678	82%	0.824	S	S	*	*			trans	-158.9	104	152.3	0	0	0	0	0	112.7	F6	A4-F6 HydrophobicContact CB-CE2 4.4Å
5	T	35.3	Very low	37.3	Very low	123 Å²	123	142.3 Å²	142.3	76%	0.755	82%	0.821	S	S	*	*			trans	-54.9	140.6	154.8	-10.8	0	0	0	0	110.6
6	F	31.4	Very low	37.2	Very low	194 Å²	194	139.3 Å²	139.3	85%	0.851	82%	0.817	S	S	*	*			trans	-124.3	107.3	162.8	-92.4	-83.2	0	0	0	111.2	A4	A4-F6 HydrophobicContact CB-CE2 4.4Å
7	T	33.3	Very low	37.2	Very low	107 Å²	107	142.2 Å²	142.2	66%	0.656	82%	0.818	S	S	*	*			trans	-60.1	130.8	163.9	42.6	0	0	0	0	111.1	L9	T7-L9 PolarHBondContact O-N 3.3Å
8	S	34.7	Very low	37.2	Very low	127 Å²	127	148.2 Å²	148.2	89%	0.888	83%	0.825	S	S	*	*			trans	-72.1	103.9	165.7	179.7	0	0	0	0	109.1
9	L	37	Very low	37.4	Very low	139 Å²	139	146.1 Å²	146.1	73%	0.728	82%	0.821	S	S	*	*			trans	-99.9	115.5	167.5	-95.2	147.2	0	0	0	107.8	T7 R11	T7-L9 PolarHBondContact O-N 3.3Å; L9-R11 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact O-N 3.08Å
10	S	45.6	Very low	37.8	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	82%	0.819	S	S	*	*			trans	-48.7	112.7	165.3	-78.9	0	0	0	0	110.1
11	R	37.9	Very low	38.4	Very low	228 Å²	228	143 Å²	143	86%	0.86	82%	0.823	S	S	*	*			trans	-107.5	109	161.6	-82.1	-173.1	169.3	-157.2	-2	108.4	L9 S13	L9-R11 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact O-N 3.08Å; R11-S13 PolarHBondContact O-N 3.14Å; R11-S13 VanDerWaalsContact O-N 3.1Å
12	C	41.8	Very low	38.6	Very low	126 Å²	126	134.5 Å²	134.5	85%	0.851	80%	0.799	S	S	*	*			trans	-62.9	101.4	160.1	-129.2	0	0	0	0	107.2	V14	C12-V14 PolarHBondContact O-N 3.34Å
13	S	38	Very low	39.3	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	80%	0.802	S	S	*	*			trans	-81.9	99	173.1	-58.8	0	0	0	0	108.8	R11 L15	R11-S13 PolarHBondContact O-N 3.14Å; R11-S13 VanDerWaalsContact O-N 3.1Å; S13-L15 PolarHBondContact O-N 3.33Å
14	V	40.3	Very low	39.4	Very low	129 Å²	129	138.6 Å²	138.6	78%	0.782	80%	0.804	S	S	*	*			trans	-83	100.5	167	-176.8	0	0	0	0	107.5	C12 A16	C12-V14 PolarHBondContact O-N 3.34Å; V14-A16 PolarHBondContact O-N 3.3Å
15	L	38.5	Very low	40.3	Very low	148 Å²	148	139 Å²	139	78%	0.775	81%	0.807	S	S	*	*			trans	-80	98.5	167.9	-89.6	153.4	0	0	0	108.4	S13 F17	S13-L15 PolarHBondContact O-N 3.33Å; L15-F17 HydrophobicContact CD2-CE2 4.43Å; L15-F17 PolarHBondContact O-N 3.41Å
16	A	35.8	Very low	40.9	Very low	93 Å²	93	138 Å²	138	77%	0.769	80%	0.801	S	S	*	*			trans	-87.1	97.8	171.2	0	0	0	0	0	109.7	V14	V14-A16 PolarHBondContact O-N 3.3Å
17	F	38.3	Very low	41.7	Very low	189 Å²	189	140 Å²	140	83%	0.829	80%	0.803	S	S	*	*			trans	-85.3	118.9	163.6	-97.2	-90.2	0	0	0	109.1	L15	L15-F17 HydrophobicContact CD2-CE2 4.43Å; L15-F17 PolarHBondContact O-N 3.41Å
18	R	37.1	Very low	42.5	Very low	250 Å²	250	144.6 Å²	144.6	94%	0.943	81%	0.809	S	S	*	*			trans	-79.8	116.9	166.4	-89.7	-177.8	162.8	-174.8	-4.5	108.8
19	S	40.1	Very low	43.5	Very low	108 Å²	108	143 Å²	143	76%	0.755	80%	0.804	S	S	*	*			trans	-137.7	139	159	-156.9	0	0	0	0	108.2
20	P	45.7	Very low	44.4	Very low	118 Å²	118	145.1 Å²	145.1	77%	0.766	81%	0.81	S	S	*	*	S	Bend	trans	-81.1	140	179.1	32.9	-29.4	0	0	0	109.9
21	A	51.3	Low	45	Very low	110 Å²	110	145.8 Å²	145.8	91%	0.909	81%	0.81	S	S	*	*	S	Bend	trans	66.8	97.4	177	0	0	0	0	0	116.5
22	G	44.8	Very low	46	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	81%	0.805	S	S	*	*			trans	171.8	123.7	164.5	0	0	0	0	0	110.9	L24	G22-L24 PolarHBondContact O-N 3.4Å
23	L	46.1	Very low	47	Very low	181 Å²	181	137.8 Å²	137.8	95%	0.948	80%	0.801	S	S	*	*			trans	-50.1	122.9	178.8	-81.4	94.3	0	0	0	111.3	A25	L23-A25 PolarHBondContact O-N 2.83Å
24	L	42.1	Very low	48.2	Very low	164 Å²	164	137.5 Å²	137.5	86%	0.859	81%	0.805	S	S	*	*			trans	-72.3	91.4	169.7	-98.1	144.5	0	0	0	109.1	G22 V26	G22-L24 PolarHBondContact O-N 3.4Å; L24-V26 PolarHBondContact O-N 2.71Å; L24-V26 VanDerWaalsContact O-N 3.08Å
25	A	50.6	Low	49.4	Very low	90 Å²	90	135.8 Å²	135.8	74%	0.744	81%	0.805	S	S	*	*			trans	-71.2	96.8	165	0	0	0	0	0	108.8	L23 R27	L23-A25 PolarHBondContact O-N 2.83Å; A25-R27 PolarHBondContact O-N 3.02Å
26	V	49.1	Very low	51	Low	102 Å²	102	133 Å²	133	62%	0.618	80%	0.803	S	S	*	*			trans	-69.5	97.8	169.7	-179.1	0	0	0	0	107.6	L24 Y28	L24-V26 PolarHBondContact O-N 2.71Å; L24-V26 VanDerWaalsContact O-N 3.08Å; V26-Y28 HydrophobicContact CG1-CD2 4.05Å; V26-Y28 HydrophobicContact CG1-CE2 3.93Å; V26-Y28 PolarHBondContact O-N 2.81Å
27	R	48.3	Very low	53.4	Low	238 Å²	238	134.2 Å²	134.2	90%	0.898	80%	0.8	S	S	*	*			trans	-69.6	98.2	167.1	-78.4	-173.3	172.7	-170.4	-1.5	108	A25 A29	A25-R27 PolarHBondContact O-N 3.02Å; R27-A29 PolarHBondContact O-N 3Å
28	Y	49.9	Very low	55.9	Low	202 Å²	202	132.5 Å²	132.5	79%	0.792	80%	0.795	S	S	*	*			trans	-62.1	103	161.4	-82	-90.8	0	0	0	107.6	V26 Q30	V26-Y28 HydrophobicContact CG1-CD2 4.05Å; V26-Y28 HydrophobicContact CG1-CE2 3.93Å; V26-Y28 PolarHBondContact O-N 2.81Å; Y28-Q30 VanDerWaalsContact C-N 3.26Å; Y28-Q30 PolarHBondContact O-N 3.48Å
29	A	54.9	Low	58.7	Low	94 Å²	94	124.2 Å²	124.2	78%	0.777	77%	0.773	S	S	*	*			trans	-68.7	93	163.8	0	0	0	0	0	106.8	R27 T31	R27-A29 PolarHBondContact O-N 3Å; A29-T31 PolarHBondContact O-N 3.29Å
30	Q	56.6	Low	61.4	Low	183 Å²	183	123.7 Å²	123.7	86%	0.855	76%	0.755	S	S	*	*			trans	-60.5	104.9	162	-80.3	173.3	-31.2	0	0	106.5	Y28 A32	Y28-Q30 VanDerWaalsContact C-N 3.26Å; Y28-Q30 PolarHBondContact O-N 3.48Å; Q30-A32 VanDerWaalsContact C-N 3.25Å; Q30-A32 PolarHBondContact O-N 3.5Å
31	T	58.1	Low	63.9	Low	135 Å²	135	121.1 Å²	121.1	83%	0.828	73%	0.734	S	S	*	*			trans	-59.4	97.9	159.7	43.5	0	0	0	0	106.2	A29 A33	A29-T31 PolarHBondContact O-N 3.29Å; T31-A33 PolarHBondContact O-N 2.91Å
32	A	58.7	Low	66.2	Low	92 Å²	92	115.9 Å²	115.9	76%	0.76	69%	0.691	S	S	*	*			trans	-54.2	113.8	169.3	0	0	0	0	0	106.8	Q30 A34	Q30-A32 VanDerWaalsContact C-N 3.25Å; Q30-A32 PolarHBondContact O-N 3.5Å; A32-A34 PolarHBondContact O-N 3.21Å; A32-A34 VanDerWaalsContact O-N 3.13Å
33	A	62.5	Low	68.8	Low	94 Å²	94	117.1 Å²	117.1	78%	0.777	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-50.7	124.4	168.7	0	0	0	0	0	106.9	T31 A35	T31-A33 PolarHBondContact O-N 2.91Å; A33-A35 PolarHBondContact O-N 3.11Å; A33-A35 VanDerWaalsContact O-N 3.11Å
34	A	63.1	Low	71.3	Confident	99 Å²	99	108.5 Å²	108.5	82%	0.818	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-50.5	124.8	177	0	0	0	0	0	108.1	A32 A36	A32-A34 PolarHBondContact O-N 3.21Å; A32-A34 VanDerWaalsContact O-N 3.13Å; A34-A36 PolarHBondContact O-N 2.99Å
35	A	65.1	Low	74	Confident	93 Å²	93	103.1 Å²	103.1	77%	0.769	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.5	127.9	-178.1	0	0	0	0	0	109.2	A33 V37	A33-A35 PolarHBondContact O-N 3.11Å; A33-A35 VanDerWaalsContact O-N 3.11Å; A35-V37 PolarHBondContact O-N 2.81Å; A35-V37 VanDerWaalsContact O-N 3.17Å
36	A	73.8	Confident	76.3	Confident	89 Å²	89	98.9 Å²	98.9	74%	0.736	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-55.8	123.9	179.4	0	0	0	0	0	109.3	A34 Q38	A34-A36 PolarHBondContact O-N 2.99Å; A36-Q38 PolarHBondContact O-N 3.37Å
37	V	85.4	Confident	78.6	Confident	118 Å²	118	95.6 Å²	95.6	72%	0.715	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-60.9	123.2	179.3	-179.9	0	0	0	0	108.1	A35	A35-V37 PolarHBondContact O-N 2.81Å; A35-V37 VanDerWaalsContact O-N 3.17Å
38	Q	91.4	Very high	81.1	Confident	154 Å²	154	84.7 Å²	84.7	72%	0.72	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-62.7	133	-179	-68.9	-67.6	-12.6	0	0	110.5	A36 N68	A36-Q38 PolarHBondContact O-N 3.37Å; Q38-N68 PolarHBondContact O-ND2 3.15Å
39	P	95	Very high	83.4	Confident	75 Å²	75	78.2 Å²	78.2	49%	0.487	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-65.7	139.5	-177.1	26.7	-33.7	0	0	0	111	I41	P39-I41 HydrophobicContact CB-CD1 3.9Å; P39-I41 HydrophobicContact CB-CG1 4.33Å
40	R	97.6	Very high	85.5	Confident	97 Å²	97	75.7 Å²	75.7	37%	0.366	45%	0.45	S	S	.	.			trans	-106.8	79.6	179.6	-71.9	-179.9	60.5	-148.2	-3.1	109.4	K42 D66 L67 N68 L123	R40-K42 PolarHBondContact O-N 3Å; R40-D66 PolarHBondContact N-OD1 2.89Å; R40-L67 HydrophobicContact CB-CB 4.12Å; R40-L67 WeakPolarHBondContact O-CG 3.17Å; R40-L67 PolarHBondContact O-N 3.45Å; R40-N68 WeakPolarHBondContact CD-OD1 3.37Å; R40-L123 HydrophobicContact CB-CD1 4.12Å; R40-L123 HydrophobicContact CB-CD2 4.48Å; R40-L123 HydrophobicContact CG-CD1 4.45Å
41	I	98.4	Very high	87.4	Confident	65 Å²	65	69.7 Å²	69.7	33%	0.333	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	116.9	-173.3	-52.9	-54.7	0	0	0	111.5	P39 E64 I65 D66	P39-I41 HydrophobicContact CB-CD1 3.9Å; P39-I41 HydrophobicContact CB-CG1 4.33Å; I41-E64 HydrophobicContact CG2-CB 3.72Å; I41-E64 HydrophobicContact CG2-CG 4.08Å; I41-I65 WeakPolarHBondContact CA-O 3.35Å; I41-D66 HydrophobicContact CD1-CB 3.91Å
42	K	98.5	Very high	89.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.3	172.7	-179.7	66.8	179.2	-163.7	0	110.4	R40 F44 I65 L67 I119 D120 N122 L123 K125 S127	R40-K42 PolarHBondContact O-N 3Å; K42-F44 HydrophobicContact CB-CE2 4.07Å; K42-F44 HydrophobicContact CG-CD2 4.26Å; K42-F44 HydrophobicContact CG-CE2 3.66Å; K42-F44 HydrophobicContact CG-CZ 3.92Å; K42-I65 PolarHBondContact N-O 2.7Å; K42-I65 PolarHBondContact O-N 2.92Å; K42-L67 HydrophobicContact CB-CD1 3.96Å; K42-L67 HydrophobicContact CB-CD2 3.62Å; K42-L67 HydrophobicContact CB-CG 3.75Å; K42-L67 HydrophobicContact CG-CD2 4.26Å; K42-I119 HydrophobicContact CG-CG2 4.23Å; K42-D120 WeakPolarHBondContact CD-O 3.42Å; K42-D120 WeakPolarHBondContact CE-O 3.34Å; K42-D120 PolarHBondContact NZ-O 3.2Å; K42-D120 IonicContact NZ-OD2 2.71Å; K42-N122 PolarHBondContact NZ-O 2.99Å; K42-L123 HydrophobicContact CB-CD2 4.2Å; K42-K125 VanDerWaalsContact CE-O 3.26Å; K42-K125 WeakPolarHBondContact CE-O 3.34Å; K42-K125 PolarHBondContact NZ-O 3.08Å; K42-S127 VanDerWaalsContact CE-OG 3.22Å; K42-S127 WeakPolarHBondContact CE-OG 3.46Å
43	K	98.8	Very high	91.2	Very high	94 Å²	94	68.1 Å²	68.1	41%	0.409	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.4	174.8	-68.4	178.1	-177	-164	0	111.3	T62 Y63 E64 P126 S127	K43-T62 HydrophobicContact CB-CG2 4.24Å; K43-T62 HydrophobicContact CG-CG2 4.33Å; K43-Y63 CarbonylContact C-O 3.52Å; K43-Y63 WeakPolarHBondContact CA-O 3.43Å; K43-E64 WeakPolarHBondContact CE-OE1 3.27Å; K43-E64 HydrophobicContact CG-CG 4.02Å; K43-E64 IonicContact NZ-OE1 2.72Å; K43-P126 HydrophobicContact CB-CB 3.92Å; K43-P126 CarbonylContact O-C 3.57Å; K43-P126 VanDerWaalsContact O-CA 3.31Å; K43-P126 WeakPolarHBondContact O-CA 3.17Å; K43-S127 PolarHBondContact O-N 3.01Å
44	F	98.9	Very high	92.8	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.9	170.5	-68	-89.6	0	0	0	109.3	K42 V46 T62 Y63 I65 A77 I81 I119 S127 I129	K42-F44 HydrophobicContact CB-CE2 4.07Å; K42-F44 HydrophobicContact CG-CD2 4.26Å; K42-F44 HydrophobicContact CG-CE2 3.66Å; K42-F44 HydrophobicContact CG-CZ 3.92Å; F44-V46 HydrophobicContact CB-CG2 4.28Å; F44-T62 CarbonylContact O-C 3.57Å; F44-T62 VanDerWaalsContact O-CA 3.28Å; F44-T62 WeakPolarHBondContact O-CA 3.46Å; F44-Y63 PolarHBondContact N-O 2.78Å; F44-Y63 PolarHBondContact O-N 2.89Å; F44-I65 HydrophobicContact CD2-CB 4.32Å; F44-I65 HydrophobicContact CD2-CG1 4.17Å; F44-I65 HydrophobicContact CE2-CB 4.08Å; F44-I65 HydrophobicContact CE2-CG1 4.28Å; F44-A77 HydrophobicContact CD2-CB 4.49Å; F44-A77 HydrophobicContact CE1-CB 4.04Å; F44-A77 HydrophobicContact CE2-CB 3.83Å; F44-A77 HydrophobicContact CZ-CB 3.56Å; F44-I81 HydrophobicContact CB-CD1 4.34Å; F44-I119 HydrophobicContact CE1-CG2 4.49Å; F44-I119 HydrophobicContact CZ-CD1 4.09Å; F44-I119 HydrophobicContact CZ-CG1 4.07Å; F44-I119 HydrophobicContact CZ-CG2 3.82Å; F44-S127 CarbonylContact C-O 3.52Å; F44-S127 WeakPolarHBondContact CA-O 3.45Å; F44-I129 HydrophobicContact CD1-CD1 3.93Å
45	Q	98.9	Very high	94.4	Very high	51 Å²	51	68.2 Å²	68.2	24%	0.238	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.9	173.2	-71.9	-179.4	-17.4	0	0	108.2	M60 Q61 P126 S127 K128 I129	Q45-M60 HydrophobicContact CB-CE 3.81Å; Q45-M60 WeakPolarHBondContact O-CE 3.29Å; Q45-Q61 CarbonylContact C-O 3.55Å; Q45-Q61 WeakPolarHBondContact CA-O 3.23Å; Q45-P126 HydrophobicContact CG-CB 4.04Å; Q45-S127 PolarHBondContact N-O 3.05Å; Q45-K128 HydrophobicContact CB-CG 4.24Å; Q45-K128 CarbonylContact O-C 3.59Å; Q45-K128 WeakPolarHBondContact O-CA 3.32Å; Q45-K128 VanDerWaalsContact OE1-CE 3.31Å; Q45-I129 PolarHBondContact O-N 3.09Å
46	V	98.9	Very high	96	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.3	-172.4	-170.5	0	0	0	0	109.8	F44 R48 Q61 Y63 L89 I129 L141	F44-V46 HydrophobicContact CB-CG2 4.28Å; V46-R48 PolarHBondContact O-N 2.91Å; V46-Q61 PolarHBondContact N-O 2.84Å; V46-Q61 PolarHBondContact O-N 2.84Å; V46-Y63 HydrophobicContact CB-CD2 4.39Å; V46-Y63 HydrophobicContact CB-CE2 4.08Å; V46-Y63 HydrophobicContact CG2-CD2 3.88Å; V46-Y63 HydrophobicContact CG2-CE2 4.02Å; V46-L89 HydrophobicContact CG1-CD1 3.89Å; V46-I129 HydrophobicContact CG1-CB 4.44Å; V46-I129 HydrophobicContact CG2-CB 4.41Å; V46-I129 HydrophobicContact CG2-CD1 4.32Å; V46-L141 HydrophobicContact CG1-CD1 3.83Å; V46-L141 HydrophobicContact CG1-CD2 4.02Å; V46-L141 HydrophobicContact CG1-CG 4.07Å
47	Y	98.9	Very high	97.1	Very high	34 Å²	34	69 Å²	69	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.3	170.6	176.5	-79.2	0	0	0	110.6	W49 P58 I129 Y130 P131 V137 D140	Y47-W49 HydrophobicContact CE1-CB 3.73Å; Y47-P58 HydrophobicContact CE2-CB 3.64Å; Y47-P58 HydrophobicContact CE2-CG 4.39Å; Y47-P58 WeakPolarHBondContact OH-CB 3.18Å; Y47-P58 WeakPolarHBondContact OH-CG 3.49Å; Y47-I129 PolarHBondContact N-O 3.46Å; Y47-Y130 AromaticContact CD2-CD1 3.95Å; Y47-Y130 HydrophobicContact CD2-CD1 3.95Å; Y47-Y130 HydrophobicContact CD2-CE1 4.37Å; Y47-Y130 HydrophobicContact CG-CD1 4.35Å; Y47-P131 HydrophobicContact CD1-CG 3.75Å; Y47-P131 HydrophobicContact CE1-CG 4.06Å; Y47-P131 HydrophobicContact CG-CG 4.09Å; Y47-V137 HydrophobicContact CE1-CG1 3.98Å; Y47-V137 HydrophobicContact CE1-CG2 4.34Å; Y47-D140 VanDerWaalsContact CD1-O 3.27Å; Y47-D140 WeakPolarHBondContact CD1-O 3.41Å; Y47-D140 WeakPolarHBondContact CE1-O 3.31Å
48	R	98.9	Very high	97.7	Very high	9 Å²	9	67 Å²	67	3%	0.034	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.1	177	-55.4	-58.5	-53.1	-85.1	9.7	110.4	V46 P58 R59 Q61 Y63 D86 T88 D140	V46-R48 PolarHBondContact O-N 2.91Å; R48-P58 WeakPolarHBondContact O-CA 3.2Å; R48-R59 HydrophobicContact CB-CG 3.97Å; R48-R59 PolarHBondContact N-O 2.81Å; R48-R59 PolarHBondContact O-N 2.83Å; R48-Q61 HydrophobicContact CG-CB 3.63Å; R48-Y63 PolarHBondContact NH1-OH 2.56Å; R48-D86 IonicContact CZ-OD2 3.52Å; R48-D86 IonicContact NH1-OD2 2.9Å; R48-D86 PolarHBondContact NH1-OD2 2.86Å; R48-D86 IonicContact NH2-OD2 2.72Å; R48-T88 PolarHBondContact NH2-O 3.11Å; R48-T88 PolarHBondContact NH2-OG1 2.81Å; R48-D140 VanDerWaalsContact CA-OD1 3.29Å; R48-D140 WeakPolarHBondContact CA-OD1 3.48Å; R48-D140 IonicContact CZ-OD1 3.67Å; R48-D140 IonicContact CZ-OD2 2.83Å; R48-D140 IonicContact NE-OD1 3.6Å; R48-D140 PolarHBondContact NE-OD1 3.16Å; R48-D140 IonicContact NE-OD2 2.68Å; R48-D140 PolarHBondContact NE-OD2 3.18Å; R48-D140 IonicContact NH2-OD1 2.76Å; R48-D140 IonicContact NH2-OD2 3.82Å; R48-D140 PolarHBondContact NH2-OD2 3.16Å
49	W	98.8	Very high	98.1	Very high	65 Å²	65	65.1 Å²	65.1	25%	0.246	35%	0.347	C	S	.	.			trans	-160.8	131.9	168.8	178.9	68.2	0	0	0	109.3	Y47 P51 D56 P58 V137 V138 D140	Y47-W49 HydrophobicContact CE1-CB 3.73Å; W49-P51 HydrophobicContact CH2-CB 3.59Å; W49-P51 HydrophobicContact CZ2-CB 4.3Å; W49-P51 HydrophobicContact CZ3-CB 3.74Å; W49-P51 HydrophobicContact CZ3-CG 4.31Å; W49-D56 PolarHBondContact NE1-O 2.93Å; W49-P58 HydrophobicContact CG-CG 4.42Å; W49-V137 HydrophobicContact CE3-CG1 4.24Å; W49-V137 WeakPolarHBondContact CZ3-O 3.3Å; W49-V138 VanDerWaalsContact CZ3-O 3.26Å; W49-V138 WeakPolarHBondContact CZ3-O 3.35Å; W49-D140 PolarHBondContact N-OD1 3.26Å; W49-D140 VanDerWaalsContact N-OD1 3.09Å; W49-D140 PolarHBondContact O-N 3.24Å
50	D	98.6	Very high	98.3	Very high	41 Å²	41	64.8 Å²	64.8	22%	0.219	34%	0.34	C	S	.	.			trans	-112.8	113.6	-179.4	-171.4	21.8	0	0	0	111.9	D52 T53 D56 K139	D50-D52 PolarHBondContact O-N 3.47Å; D50-D52 PolarHBondContact OD1-N 2.78Å; D50-T53 PolarHBondContact O-N 2.91Å; D50-T53 PolarHBondContact OD2-OG1 3.44Å; D50-D56 PolarHBondContact N-OD2 2.73Å; D50-K139 IonicContact OD1-NZ 3.11Å; D50-K139 PolarHBondContact OD1-NZ 2.7Å
51	P	98.1	Very high	98.3	Very high	58 Å²	58	62.5 Å²	62.5	38%	0.377	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.3	177.9	29	-38	0	0	0	113.1	W49 T53 V138 K139	W49-P51 HydrophobicContact CH2-CB 3.59Å; W49-P51 HydrophobicContact CZ2-CB 4.3Å; W49-P51 HydrophobicContact CZ3-CB 3.74Å; W49-P51 HydrophobicContact CZ3-CG 4.31Å; P51-T53 VanDerWaalsContact C-N 3.3Å; P51-V138 VanDerWaalsContact CG-O 3.32Å; P51-V138 WeakPolarHBondContact CG-O 3.48Å; P51-K139 HydrophobicContact CG-CB 4.34Å; P51-K139 HydrophobicContact CG-CD 4.46Å
52	D	98	Very high	98.3	Very high	125 Å²	125	62.7 Å²	62.7	67%	0.668	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.2	-173.8	-56.6	-47.6	0	0	0	112.2	D50 P54 K139	D50-D52 PolarHBondContact O-N 3.47Å; D50-D52 PolarHBondContact OD1-N 2.78Å; D52-P54 WeakPolarHBondContact O-CD 3.3Å; D52-K139 IonicContact OD2-NZ 2.71Å; D52-K139 PolarHBondContact OD2-NZ 3.49Å
53	T	97.5	Very high	98.4	Very high	68 Å²	68	63.1 Å²	63.1	42%	0.417	34%	0.34	S	S	.	.	S	Bend	trans	-100.3	108.8	178.6	-63.8	0	0	0	0	110	D50 P51 G55 D56	D50-T53 PolarHBondContact O-N 2.91Å; D50-T53 PolarHBondContact OD2-OG1 3.44Å; P51-T53 VanDerWaalsContact C-N 3.3Å; T53-G55 PolarHBondContact O-N 3.23Å; T53-D56 HydrophobicContact CG2-CB 3.99Å; T53-D56 WeakPolarHBondContact O-CB 3.26Å; T53-D56 PolarHBondContact O-N 3.12Å; T53-D56 VanDerWaalsContact O-N 3.14Å
54	P	96.7	Very high	98.4	Very high	127 Å²	127	63.5 Å²	63.5	83%	0.825	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128.5	-177.4	-25.3	35	0	0	0	112.7	D52 D56	D52-P54 WeakPolarHBondContact O-CD 3.3Å; P54-D56 VanDerWaalsContact C-N 3.26Å; P54-D56 PolarHBondContact O-N 2.88Å
55	G	96.4	Very high	98.3	Very high	69 Å²	69	63.7 Å²	63.7	71%	0.711	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	1.9	178.5	0	0	0	0	0	115.3	T53	T53-G55 PolarHBondContact O-N 3.23Å
56	D	97.7	Very high	98.3	Very high	43 Å²	43	62.9 Å²	62.9	23%	0.23	34%	0.341	C	S	.	.			trans	-57.8	140.5	178.8	-168.5	35	0	0	0	111.5	W49 D50 T53 P54	W49-D56 PolarHBondContact NE1-O 2.93Å; D50-D56 PolarHBondContact N-OD2 2.73Å; T53-D56 HydrophobicContact CG2-CB 3.99Å; T53-D56 WeakPolarHBondContact O-CB 3.26Å; T53-D56 PolarHBondContact O-N 3.12Å; T53-D56 VanDerWaalsContact O-N 3.14Å; P54-D56 VanDerWaalsContact C-N 3.26Å; P54-D56 PolarHBondContact O-N 2.88Å
57	K	98.1	Very high	98.3	Very high	155 Å²	155	63.9 Å²	63.9	67%	0.674	35%	0.346	S	S	*	.			trans	-114.1	141.1	-179.2	-62.9	-59.3	-177.7	-173.2	0	109.6	R59	K57-R59 PolarHBondContact O-N 2.82Å
58	P	98.6	Very high	98.2	Very high	75 Å²	75	65.4 Å²	65.4	49%	0.487	36%	0.357	S	S	.	.			trans	-50.6	133.2	173.5	-30.2	37.4	0	0	0	112.5	Y47 R48 W49	Y47-P58 HydrophobicContact CE2-CB 3.64Å; Y47-P58 HydrophobicContact CE2-CG 4.39Å; Y47-P58 WeakPolarHBondContact OH-CB 3.18Å; Y47-P58 WeakPolarHBondContact OH-CG 3.49Å; R48-P58 WeakPolarHBondContact O-CA 3.2Å; W49-P58 HydrophobicContact CG-CG 4.42Å
59	R	98.7	Very high	98.2	Very high	116 Å²	116	69.1 Å²	69.1	44%	0.438	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	161.6	-178.5	62.6	-175.9	173.1	78.2	2.5	111.4	R48 K57	R48-R59 HydrophobicContact CB-CG 3.97Å; R48-R59 PolarHBondContact N-O 2.81Å; R48-R59 PolarHBondContact O-N 2.83Å; K57-R59 PolarHBondContact O-N 2.82Å
60	M	98.8	Very high	98.1	Very high	67 Å²	67	67.1 Å²	67.1	33%	0.33	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.4	170.1	-63.8	-56.9	-66.7	0	0	109.4	Q45 Y130	Q45-M60 HydrophobicContact CB-CE 3.81Å; Q45-M60 WeakPolarHBondContact O-CE 3.29Å; M60-Y130 HydrophobicContact CE-CE1 3.97Å; M60-Y130 HydrophobicContact CE-CE2 4.25Å; M60-Y130 HydrophobicContact SD-CD1 4.17Å; M60-Y130 HydrophobicContact SD-CE1 3.36Å; M60-Y130 WeakPolarHBondContact SD-CE1 3.46Å
61	Q	98.8	Very high	98.1	Very high	50 Å²	50	66.6 Å²	66.6	23%	0.234	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.4	172.6	-173.6	167.1	-21.7	0	0	110	Q45 V46 R48 Y63 D86	Q45-Q61 CarbonylContact C-O 3.55Å; Q45-Q61 WeakPolarHBondContact CA-O 3.23Å; V46-Q61 PolarHBondContact N-O 2.84Å; V46-Q61 PolarHBondContact O-N 2.84Å; R48-Q61 HydrophobicContact CG-CB 3.63Å; Q61-Y63 HydrophobicContact CB-CE2 4.09Å; Q61-Y63 HydrophobicContact CG-CE1 4.32Å; Q61-Y63 HydrophobicContact CG-CE2 3.91Å; Q61-Y63 PolarHBondContact NE2-OH 3.1Å; Q61-Y63 VanDerWaalsContact NE2-OH 3.12Å; Q61-Y63 PolarHBondContact OE1-OH 2.84Å; Q61-D86 PolarHBondContact NE2-OD2 2.91Å
62	T	98.8	Very high	98.2	Very high	69 Å²	69	68.1 Å²	68.1	42%	0.423	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.9	178.4	-57.2	0	0	0	0	110.1	K43 F44	K43-T62 HydrophobicContact CB-CG2 4.24Å; K43-T62 HydrophobicContact CG-CG2 4.33Å; F44-T62 CarbonylContact O-C 3.57Å; F44-T62 VanDerWaalsContact O-CA 3.28Å; F44-T62 WeakPolarHBondContact O-CA 3.46Å
63	Y	98.8	Very high	98.2	Very high	9 Å²	9	64.3 Å²	64.3	4%	0.035	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.8	171.1	-57.1	-87	0	0	0	109.8	K43 F44 V46 R48 Q61 I81 M85 D86	K43-Y63 CarbonylContact C-O 3.52Å; K43-Y63 WeakPolarHBondContact CA-O 3.43Å; F44-Y63 PolarHBondContact N-O 2.78Å; F44-Y63 PolarHBondContact O-N 2.89Å; V46-Y63 HydrophobicContact CB-CD2 4.39Å; V46-Y63 HydrophobicContact CB-CE2 4.08Å; V46-Y63 HydrophobicContact CG2-CD2 3.88Å; V46-Y63 HydrophobicContact CG2-CE2 4.02Å; R48-Y63 PolarHBondContact NH1-OH 2.56Å; Q61-Y63 HydrophobicContact CB-CE2 4.09Å; Q61-Y63 HydrophobicContact CG-CE1 4.32Å; Q61-Y63 HydrophobicContact CG-CE2 3.91Å; Q61-Y63 PolarHBondContact NE2-OH 3.1Å; Q61-Y63 VanDerWaalsContact NE2-OH 3.12Å; Q61-Y63 PolarHBondContact OE1-OH 2.84Å; Y63-I81 HydrophobicContact CD1-CG1 4.44Å; Y63-I81 HydrophobicContact CD1-CG2 3.43Å; Y63-I81 VanDerWaalsContact CD1-CG2 3.43Å; Y63-I81 HydrophobicContact CD2-CD1 4.03Å; Y63-I81 HydrophobicContact CD2-CG2 4.07Å; Y63-I81 HydrophobicContact CE1-CG2 3.51Å; Y63-I81 HydrophobicContact CE2-CG2 4.13Å; Y63-I81 HydrophobicContact CG-CD1 3.92Å; Y63-I81 HydrophobicContact CG-CG1 4.1Å; Y63-I81 HydrophobicContact CG-CG2 3.71Å; Y63-M85 HydrophobicContact CD1-CE 4.27Å; Y63-M85 HydrophobicContact CD1-SD 4.45Å; Y63-D86 HydrophobicContact CE1-CB 3.72Å; Y63-D86 PolarHBondContact OH-OD2 3.35Å
64	E	98.6	Very high	98.3	Very high	102 Å²	102	61.1 Å²	61.1	48%	0.477	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.6	178.3	-71	-171	179.6	0	0	109.2	I41 K43 M85	I41-E64 HydrophobicContact CG2-CB 3.72Å; I41-E64 HydrophobicContact CG2-CG 4.08Å; K43-E64 WeakPolarHBondContact CE-OE1 3.27Å; K43-E64 HydrophobicContact CG-CG 4.02Å; K43-E64 IonicContact NZ-OE1 2.72Å; E64-M85 WeakPolarHBondContact O-CE 3.07Å
65	I	98.3	Very high	98.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.4	-176.8	-66.8	-68.6	0	0	0	109.4	I41 K42 F44 L67 C70 K80 I81 M85	I41-I65 WeakPolarHBondContact CA-O 3.35Å; K42-I65 PolarHBondContact N-O 2.7Å; K42-I65 PolarHBondContact O-N 2.92Å; F44-I65 HydrophobicContact CD2-CB 4.32Å; F44-I65 HydrophobicContact CD2-CG1 4.17Å; F44-I65 HydrophobicContact CE2-CB 4.08Å; F44-I65 HydrophobicContact CE2-CG1 4.28Å; I65-L67 PolarHBondContact O-N 2.78Å; I65-C70 HydrophobicContact CG2-CB 3.82Å; I65-K80 HydrophobicContact CD1-CB 4.44Å; I65-K80 HydrophobicContact CD1-CD 4.1Å; I65-K80 HydrophobicContact CD1-CG 4.09Å; I65-K80 HydrophobicContact CG2-CD 4.04Å; I65-I81 HydrophobicContact CD1-CG1 3.7Å; I65-I81 HydrophobicContact CG1-CD1 4.3Å; I65-I81 HydrophobicContact CG1-CG1 3.86Å; I65-M85 HydrophobicContact CD1-SD 3.45Å; I65-M85 WeakPolarHBondContact CD1-SD 3.44Å; I65-M85 HydrophobicContact CG1-SD 4.4Å
66	D	98.3	Very high	98.5	Very high	35 Å²	35	54.6 Å²	54.6	19%	0.187	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	113.6	167.5	-178.4	13.1	0	0	0	110.4	R40 I41 N68 T69	R40-D66 PolarHBondContact N-OD1 2.89Å; I41-D66 HydrophobicContact CD1-CB 3.91Å; D66-N68 PolarHBondContact O-N 3.28Å; D66-N68 WeakPolarHBondContact OD1-CB 3.36Å; D66-N68 PolarHBondContact OD1-N 3.19Å; D66-N68 PolarHBondContact OD1-ND2 2.83Å; D66-T69 PolarHBondContact O-N 2.8Å; D66-T69 VanDerWaalsContact O-N 3.16Å; D66-T69 PolarHBondContact O-OG1 2.73Å
67	L	98.2	Very high	98.5	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.105	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-66.1	-18.4	179.8	-60.8	-171	0	0	0	113.3	R40 K42 I65 T69 I119 L123	R40-L67 HydrophobicContact CB-CB 4.12Å; R40-L67 WeakPolarHBondContact O-CG 3.17Å; R40-L67 PolarHBondContact O-N 3.45Å; K42-L67 HydrophobicContact CB-CD1 3.96Å; K42-L67 HydrophobicContact CB-CD2 3.62Å; K42-L67 HydrophobicContact CB-CG 3.75Å; K42-L67 HydrophobicContact CG-CD2 4.26Å; I65-L67 PolarHBondContact O-N 2.78Å; L67-T69 PolarHBondContact O-N 3.08Å; L67-I119 HydrophobicContact CD1-CG2 4.23Å; L67-I119 HydrophobicContact CD2-CD1 4.15Å; L67-I119 HydrophobicContact CD2-CG2 3.84Å; L67-L123 HydrophobicContact CD1-CD2 3.79Å; L67-L123 HydrophobicContact CG-CD2 4.44Å
68	N	97.7	Very high	98.6	Very high	67 Å²	67	45.2 Å²	45.2	36%	0.358	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-69.1	-20.7	175.4	-63.3	-33.7	0	0	0	112.6	Q38 R40 D66	Q38-N68 PolarHBondContact O-ND2 3.15Å; R40-N68 WeakPolarHBondContact CD-OD1 3.37Å; D66-N68 PolarHBondContact O-N 3.28Å; D66-N68 WeakPolarHBondContact OD1-CB 3.36Å; D66-N68 PolarHBondContact OD1-N 3.19Å; D66-N68 PolarHBondContact OD1-ND2 2.83Å
69	T	97.9	Very high	98.6	Very high	86 Å²	86	44.2 Å²	44.2	53%	0.528	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-118.9	20.4	-177.3	65.1	0	0	0	0	112.6	D66 L67 K80	D66-T69 PolarHBondContact O-N 2.8Å; D66-T69 VanDerWaalsContact O-N 3.16Å; D66-T69 PolarHBondContact O-OG1 2.73Å; L67-T69 PolarHBondContact O-N 3.08Å; T69-K80 WeakPolarHBondContact O-CE 3.35Å; T69-K80 PolarHBondContact O-NZ 3.09Å; T69-K80 WeakPolarHBondContact OG1-CE 3.44Å
70	C	98.5	Very high	98.6	Very high	24 Å²	24	40 Å²	40	16%	0.162	22%	0.224	C	C	.	.	S	Bend	trans	-126.3	145.7	-178.9	-174.6	0	0	0	0	110.3	I65 K80	I65-C70 HydrophobicContact CG2-CB 3.82Å; C70-K80 HydrophobicContact CB-CD 4Å
71	G	98.4	Very high	98.6	Very high	30 Å²	30	36.9 Å²	36.9	31%	0.309	21%	0.208	S	C	.	.			trans	-62.1	164.7	168.8	0	0	0	0	0	112.1	M73 D76 I119	G71-M73 VanDerWaalsContact C-N 3.32Å; G71-M73 PolarHBondContact O-N 3.38Å; G71-D76 WeakPolarHBondContact CA-OD2 3.26Å; G71-I119 WeakPolarHBondContact O-CD1 3.26Å
72	P	98.6	Very high	98.6	Very high	89 Å²	89	37.5 Å²	37.5	58%	0.578	21%	0.21	S	C	*	.	S	Bend	trans	-75.9	-14.2	-170.1	30.8	-35.8	0	0	0	114.5	D76 K118 I119	P72-D76 WeakPolarHBondContact CD-OD2 3.5Å; P72-K118 WeakPolarHBondContact O-CA 3.14Å; P72-I119 PolarHBondContact O-N 3.35Å
73	M	98.8	Very high	98.6	Very high	46 Å²	46	39.9 Å²	39.9	23%	0.227	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-101.4	153.5	-173	-55.4	-60	-176.4	0	0	112.1	G71 L75 D76 A77 C115 N117 K118 I119	G71-M73 VanDerWaalsContact C-N 3.32Å; G71-M73 PolarHBondContact O-N 3.38Å; M73-L75 PolarHBondContact O-N 3.45Å; M73-D76 WeakPolarHBondContact CB-OD2 3.28Å; M73-D76 PolarHBondContact N-OD2 3.22Å; M73-D76 VanDerWaalsContact O-CB 3.3Å; M73-D76 WeakPolarHBondContact O-CB 3.11Å; M73-D76 PolarHBondContact O-N 2.96Å; M73-A77 PolarHBondContact O-N 3.04Å; M73-C115 WeakPolarHBondContact CG-O 3.31Å; M73-N117 CarbonylContact C-O 3.54Å; M73-N117 WeakPolarHBondContact CA-O 3.39Å; M73-K118 HydrophobicContact CE-CG 4.4Å; M73-K118 HydrophobicContact SD-CG 3.93Å; M73-I119 WeakPolarHBondContact O-CD1 3.43Å
74	V	98.9	Very high	98.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-32.4	177.6	174.6	0	0	0	0	111.6	D76 A77 L78 I107 A114 N117 I119 I129	V74-D76 VanDerWaalsContact C-N 3.28Å; V74-D76 PolarHBondContact O-N 2.92Å; V74-A77 PolarHBondContact O-N 3.08Å; V74-L78 HydrophobicContact CG1-CD1 4.35Å; V74-L78 HydrophobicContact CG1-CG 4.39Å; V74-L78 WeakPolarHBondContact O-CG 3.13Å; V74-L78 PolarHBondContact O-N 2.85Å; V74-I107 HydrophobicContact CB-CD1 4Å; V74-I107 HydrophobicContact CG1-CD1 3.82Å; V74-I107 HydrophobicContact CG2-CD1 4.26Å; V74-I107 HydrophobicContact CG2-CG2 4.31Å; V74-A114 HydrophobicContact CG1-CB 4.48Å; V74-A114 PolarHBondContact N-O 2.67Å; V74-N117 HydrophobicContact CG2-CB 4.35Å; V74-N117 WeakPolarHBondContact CG2-OD1 3.39Å; V74-N117 PolarHBondContact N-O 3.03Å; V74-I119 HydrophobicContact CG2-CG1 4.14Å; V74-I129 HydrophobicContact CG1-CD1 3.54Å; V74-I129 HydrophobicContact CG1-CG1 4.46Å
75	L	98.9	Very high	98.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-36.9	172.9	-179.2	61.8	0	0	0	112.4	M73 A77 L78 I79 F91 R93 R96 A114 C115	M73-L75 PolarHBondContact O-N 3.45Å; L75-A77 VanDerWaalsContact C-N 3.32Å; L75-A77 PolarHBondContact O-N 2.77Å; L75-L78 PolarHBondContact O-N 3.31Å; L75-I79 HydrophobicContact CD1-CD1 4.05Å; L75-I79 HydrophobicContact CD1-CG1 4.16Å; L75-I79 HydrophobicContact CD2-CD1 4.41Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 HydrophobicContact CG-CG1 4.39Å; L75-I79 WeakPolarHBondContact O-CG1 3.07Å; L75-I79 PolarHBondContact O-N 2.92Å; L75-F91 HydrophobicContact CD1-CD2 4.2Å; L75-F91 HydrophobicContact CD1-CE2 3.74Å; L75-R93 HydrophobicContact CD1-CB 3.82Å; L75-R93 HydrophobicContact CD1-CG 4.33Å; L75-R93 HydrophobicContact CD2-CB 4.25Å; L75-R96 HydrophobicContact CD2-CB 4.37Å; L75-A114 HydrophobicContact CB-CB 3.98Å; L75-A114 PolarHBondContact N-O 3.25Å; L75-C115 HydrophobicContact CB-CB 4.18Å; L75-C115 HydrophobicContact CD2-CB 3.6Å
76	D	98.9	Very high	98.6	Very high	55 Å²	55	46.2 Å²	46.2	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-42.6	178.2	-54.3	-40.7	0	0	0	110.1	G71 P72 M73 V74 I79 K80	G71-D76 WeakPolarHBondContact CA-OD2 3.26Å; P72-D76 WeakPolarHBondContact CD-OD2 3.5Å; M73-D76 WeakPolarHBondContact CB-OD2 3.28Å; M73-D76 PolarHBondContact N-OD2 3.22Å; M73-D76 VanDerWaalsContact O-CB 3.3Å; M73-D76 WeakPolarHBondContact O-CB 3.11Å; M73-D76 PolarHBondContact O-N 2.96Å; V74-D76 VanDerWaalsContact C-N 3.28Å; V74-D76 PolarHBondContact O-N 2.92Å; D76-I79 PolarHBondContact O-N 2.76Å; D76-K80 WeakPolarHBondContact O-CB 3.2Å; D76-K80 PolarHBondContact O-N 3.06Å
77	A	98.9	Very high	98.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-44.2	174.4	0	0	0	0	0	112.1	F44 M73 V74 L75 I79 K80 I81 I119	F44-A77 HydrophobicContact CD2-CB 4.49Å; F44-A77 HydrophobicContact CE1-CB 4.04Å; F44-A77 HydrophobicContact CE2-CB 3.83Å; F44-A77 HydrophobicContact CZ-CB 3.56Å; M73-A77 PolarHBondContact O-N 3.04Å; V74-A77 PolarHBondContact O-N 3.08Å; L75-A77 VanDerWaalsContact C-N 3.32Å; L75-A77 PolarHBondContact O-N 2.77Å; A77-I79 PolarHBondContact O-N 3.02Å; A77-K80 PolarHBondContact O-N 3.06Å; A77-I81 VanDerWaalsContact O-CG1 3.22Å; A77-I81 WeakPolarHBondContact O-CG1 3.43Å; A77-I81 PolarHBondContact O-N 3.21Å; A77-I119 HydrophobicContact CB-CD1 3.93Å
78	L	98.9	Very high	98.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-40.9	177.7	-71	174.1	0	0	0	112.4	V74 L75 K82 L89 F91 M105 A114 I129 L141	V74-L78 HydrophobicContact CG1-CD1 4.35Å; V74-L78 HydrophobicContact CG1-CG 4.39Å; V74-L78 WeakPolarHBondContact O-CG 3.13Å; V74-L78 PolarHBondContact O-N 2.85Å; L75-L78 PolarHBondContact O-N 3.31Å; L78-K82 WeakPolarHBondContact O-CB 3.37Å; L78-K82 PolarHBondContact O-N 2.95Å; L78-L89 HydrophobicContact CD2-CD2 4.14Å; L78-F91 HydrophobicContact CB-CD1 4.28Å; L78-F91 HydrophobicContact CB-CE1 3.79Å; L78-F91 HydrophobicContact CB-CE2 4.15Å; L78-F91 HydrophobicContact CB-CZ 3.72Å; L78-F91 WeakPolarHBondContact O-CE1 3.22Å; L78-M105 HydrophobicContact CD1-CE 3.77Å; L78-M105 HydrophobicContact CD1-SD 3.72Å; L78-A114 HydrophobicContact CD1-CB 4.29Å; L78-I129 HydrophobicContact CD2-CD1 3.89Å; L78-I129 HydrophobicContact CG-CD1 4.34Å; L78-L141 HydrophobicContact CD1-CD1 4.34Å; L78-L141 HydrophobicContact CD2-CD1 4.15Å
79	I	98.9	Very high	98.7	Very high	54 Å²	54	48.5 Å²	48.5	28%	0.277	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-43.9	175.6	-69.4	170.2	0	0	0	110.4	L75 D76 A77 K82 N83 F91	L75-I79 HydrophobicContact CD1-CD1 4.05Å; L75-I79 HydrophobicContact CD1-CG1 4.16Å; L75-I79 HydrophobicContact CD2-CD1 4.41Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 HydrophobicContact CG-CG1 4.39Å; L75-I79 WeakPolarHBondContact O-CG1 3.07Å; L75-I79 PolarHBondContact O-N 2.92Å; D76-I79 PolarHBondContact O-N 2.76Å; A77-I79 PolarHBondContact O-N 3.02Å; I79-K82 PolarHBondContact O-N 2.88Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.43Å; I79-N83 WeakPolarHBondContact O-CB 3.38Å; I79-N83 VanDerWaalsContact O-CG 3.24Å; I79-N83 PolarHBondContact O-N 2.94Å; I79-F91 HydrophobicContact CG1-CE2 4.09Å; I79-F91 HydrophobicContact CG1-CZ 3.95Å
80	K	98.9	Very high	98.8	Very high	28 Å²	28	46.3 Å²	46.3	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-47.9	177	-171.9	173.6	177.4	68.8	0	111.7	I65 T69 C70 D76 A77 K82 N83 E84	I65-K80 HydrophobicContact CD1-CB 4.44Å; I65-K80 HydrophobicContact CD1-CD 4.1Å; I65-K80 HydrophobicContact CD1-CG 4.09Å; I65-K80 HydrophobicContact CG2-CD 4.04Å; T69-K80 WeakPolarHBondContact O-CE 3.35Å; T69-K80 PolarHBondContact O-NZ 3.09Å; T69-K80 WeakPolarHBondContact OG1-CE 3.44Å; C70-K80 HydrophobicContact CB-CD 4Å; D76-K80 WeakPolarHBondContact O-CB 3.2Å; D76-K80 PolarHBondContact O-N 3.06Å; A77-K80 PolarHBondContact O-N 3.06Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.35Å; K80-N83 PolarHBondContact O-N 3.26Å; K80-E84 WeakPolarHBondContact CE-OE2 3.36Å; K80-E84 HydrophobicContact CG-CG 4.46Å; K80-E84 IonicContact NZ-OE1 3.24Å; K80-E84 PolarHBondContact NZ-OE1 3.15Å; K80-E84 IonicContact NZ-OE2 3.6Å; K80-E84 PolarHBondContact NZ-OE2 3.17Å; K80-E84 WeakPolarHBondContact O-CB 3.38Å; K80-E84 PolarHBondContact O-N 3.05Å
81	I	98.9	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.5	-50	174.1	-68.3	163.3	0	0	0	109.9	F44 Y63 I65 A77 N83 M85 D86 L89	F44-I81 HydrophobicContact CB-CD1 4.34Å; Y63-I81 HydrophobicContact CD1-CG1 4.44Å; Y63-I81 HydrophobicContact CD1-CG2 3.43Å; Y63-I81 VanDerWaalsContact CD1-CG2 3.43Å; Y63-I81 HydrophobicContact CD2-CD1 4.03Å; Y63-I81 HydrophobicContact CD2-CG2 4.07Å; Y63-I81 HydrophobicContact CE1-CG2 3.51Å; Y63-I81 HydrophobicContact CE2-CG2 4.13Å; Y63-I81 HydrophobicContact CG-CD1 3.92Å; Y63-I81 HydrophobicContact CG-CG1 4.1Å; Y63-I81 HydrophobicContact CG-CG2 3.71Å; I65-I81 HydrophobicContact CD1-CG1 3.7Å; I65-I81 HydrophobicContact CG1-CD1 4.3Å; I65-I81 HydrophobicContact CG1-CG1 3.86Å; A77-I81 VanDerWaalsContact O-CG1 3.22Å; A77-I81 WeakPolarHBondContact O-CG1 3.43Å; A77-I81 PolarHBondContact O-N 3.21Å; I81-N83 PolarHBondContact O-N 2.96Å; I81-M85 HydrophobicContact CG1-SD 4.12Å; I81-M85 CarbonylContact O-C 3.58Å; I81-M85 WeakPolarHBondContact O-CA 3.18Å; I81-M85 WeakPolarHBondContact O-CB 3.35Å; I81-M85 PolarHBondContact O-N 2.81Å; I81-D86 PolarHBondContact O-N 2.85Å; I81-L89 HydrophobicContact CB-CD2 4.04Å; I81-L89 HydrophobicContact CG2-CD2 3.55Å
82	K	98.9	Very high	98.8	Very high	64 Å²	64	49.8 Å²	49.8	28%	0.278	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-41.5	-178.4	-172	179.3	178.9	62.6	0	113	L78 I79 K80 D86 S87 L89 F91	L78-K82 WeakPolarHBondContact O-CB 3.37Å; L78-K82 PolarHBondContact O-N 2.95Å; I79-K82 PolarHBondContact O-N 2.88Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.35Å; K82-D86 WeakPolarHBondContact CA-O 3.22Å; K82-D86 CarbonylContact O-C 3.58Å; K82-S87 PolarHBondContact NZ-O 3.41Å; K82-S87 WeakPolarHBondContact O-CA 3.45Å; K82-S87 PolarHBondContact O-N 2.72Å; K82-L89 WeakPolarHBondContact CD-O 3.48Å; K82-L89 PolarHBondContact NZ-O 2.82Å; K82-F91 HydrophobicContact CB-CE1 4.17Å; K82-F91 HydrophobicContact CD-CE1 4.12Å; K82-F91 HydrophobicContact CD-CZ 4.39Å
83	N	98.9	Very high	98.8	Very high	119 Å²	119	52.3 Å²	52.3	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-79.1	-34.9	-173.9	-70.5	-6.7	0	0	0	112.8	I79 K80 I81	I79-N83 WeakPolarHBondContact CG2-ND2 3.43Å; I79-N83 WeakPolarHBondContact O-CB 3.38Å; I79-N83 VanDerWaalsContact O-CG 3.24Å; I79-N83 PolarHBondContact O-N 2.94Å; K80-N83 PolarHBondContact O-N 3.26Å; I81-N83 PolarHBondContact O-N 2.96Å
84	E	98.7	Very high	98.8	Very high	129 Å²	129	54.1 Å²	54.1	60%	0.603	28%	0.278	S	S	*	.	H	α-helix	trans	-114	-17.9	-166.4	-59.2	176	-159.2	0	0	113.7	K80	K80-E84 WeakPolarHBondContact CE-OE2 3.36Å; K80-E84 HydrophobicContact CG-CG 4.46Å; K80-E84 IonicContact NZ-OE1 3.24Å; K80-E84 PolarHBondContact NZ-OE1 3.15Å; K80-E84 IonicContact NZ-OE2 3.6Å; K80-E84 PolarHBondContact NZ-OE2 3.17Å; K80-E84 WeakPolarHBondContact O-CB 3.38Å; K80-E84 PolarHBondContact O-N 3.05Å
85	M	98.6	Very high	98.8	Very high	94 Å²	94	55.1 Å²	55.1	46%	0.463	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-49.5	-172.6	-51.9	175.7	75.6	0	0	113.4	Y63 E64 I65 I81	Y63-M85 HydrophobicContact CD1-CE 4.27Å; Y63-M85 HydrophobicContact CD1-SD 4.45Å; E64-M85 WeakPolarHBondContact O-CE 3.07Å; I65-M85 HydrophobicContact CD1-SD 3.45Å; I65-M85 WeakPolarHBondContact CD1-SD 3.44Å; I65-M85 HydrophobicContact CG1-SD 4.4Å; I81-M85 HydrophobicContact CG1-SD 4.12Å; I81-M85 CarbonylContact O-C 3.58Å; I81-M85 WeakPolarHBondContact O-CA 3.18Å; I81-M85 WeakPolarHBondContact O-CB 3.35Å; I81-M85 PolarHBondContact O-N 2.81Å
86	D	98.7	Very high	98.8	Very high	24 Å²	24	63.8 Å²	63.8	13%	0.128	32%	0.317	C	S	.	.			trans	-149.7	91.5	-172.7	-179.2	3.4	0	0	0	111.2	R48 Q61 Y63 I81 K82 T88 L89	R48-D86 IonicContact CZ-OD2 3.52Å; R48-D86 IonicContact NH1-OD2 2.9Å; R48-D86 PolarHBondContact NH1-OD2 2.86Å; R48-D86 IonicContact NH2-OD2 2.72Å; Q61-D86 PolarHBondContact NE2-OD2 2.91Å; Y63-D86 HydrophobicContact CE1-CB 3.72Å; Y63-D86 PolarHBondContact OH-OD2 3.35Å; I81-D86 PolarHBondContact O-N 2.85Å; K82-D86 WeakPolarHBondContact CA-O 3.22Å; K82-D86 CarbonylContact O-C 3.58Å; D86-T88 PolarHBondContact O-N 3.37Å; D86-T88 VanDerWaalsContact O-N 3.11Å; D86-T88 VanDerWaalsContact OD1-CB 3.3Å; D86-T88 WeakPolarHBondContact OD1-CB 3.33Å; D86-T88 PolarHBondContact OD1-N 3.28Å; D86-T88 PolarHBondContact OD1-OG1 2.62Å; D86-T88 PolarHBondContact OD2-OG1 3.43Å; D86-L89 WeakPolarHBondContact O-CB 3.39Å; D86-L89 PolarHBondContact O-N 3.43Å; D86-L89 VanDerWaalsContact O-N 3.15Å
87	S	98.6	Very high	98.8	Very high	92 Å²	92	66.7 Å²	66.7	64%	0.643	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9	179.5	63.3	0	0	0	0	114	K82	K82-S87 PolarHBondContact NZ-O 3.41Å; K82-S87 WeakPolarHBondContact O-CA 3.45Å; K82-S87 PolarHBondContact O-N 2.72Å
88	T	98.8	Very high	98.7	Very high	79 Å²	79	66.7 Å²	66.7	49%	0.485	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.7	174.8	77.3	0	0	0	0	112.8	R48 D86 T90	R48-T88 PolarHBondContact NH2-O 3.11Å; R48-T88 PolarHBondContact NH2-OG1 2.81Å; D86-T88 PolarHBondContact O-N 3.37Å; D86-T88 VanDerWaalsContact O-N 3.11Å; D86-T88 VanDerWaalsContact OD1-CB 3.3Å; D86-T88 WeakPolarHBondContact OD1-CB 3.33Å; D86-T88 PolarHBondContact OD1-N 3.28Å; D86-T88 PolarHBondContact OD1-OG1 2.62Å; D86-T88 PolarHBondContact OD2-OG1 3.43Å; T88-T90 PolarHBondContact O-N 3.08Å; T88-T90 PolarHBondContact O-OG1 2.8Å
89	L	98.9	Very high	98.7	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.352	C	S	.	.			trans	-58.6	122.7	177.8	175.5	61.8	0	0	0	110.6	V46 L78 I81 K82 D86 F91 D140	V46-L89 HydrophobicContact CG1-CD1 3.89Å; L78-L89 HydrophobicContact CD2-CD2 4.14Å; I81-L89 HydrophobicContact CB-CD2 4.04Å; I81-L89 HydrophobicContact CG2-CD2 3.55Å; K82-L89 WeakPolarHBondContact CD-O 3.48Å; K82-L89 PolarHBondContact NZ-O 2.82Å; D86-L89 WeakPolarHBondContact O-CB 3.39Å; D86-L89 PolarHBondContact O-N 3.43Å; D86-L89 VanDerWaalsContact O-N 3.15Å; L89-F91 HydrophobicContact CD2-CD1 4.38Å; L89-F91 HydrophobicContact CD2-CE1 4.2Å; L89-F91 HydrophobicContact CG-CD1 4.05Å; L89-F91 HydrophobicContact CG-CE1 4.19Å; L89-D140 WeakPolarHBondContact CA-OD2 3.36Å
90	T	98.9	Very high	98.7	Very high	40 Å²	40	71 Å²	71	25%	0.245	36%	0.355	C	S	.	.			trans	-118.8	129.4	-172.8	-55.6	0	0	0	0	112.3	T88 D140 L141 V142	T88-T90 PolarHBondContact O-N 3.08Å; T88-T90 PolarHBondContact O-OG1 2.8Å; T90-D140 PolarHBondContact N-OD2 2.68Å; T90-D140 VanDerWaalsContact O-CB 3.23Å; T90-D140 WeakPolarHBondContact O-CB 3.49Å; T90-L141 PolarHBondContact O-N 3.11Å; T90-V142 HydrophobicContact CG2-CG2 3.86Å
91	F	98.9	Very high	98.7	Very high	21 Å²	21	70.1 Å²	70.1	9%	0.092	35%	0.353	C	S	.	.			trans	-156.1	157.1	176.8	54.5	-89.2	0	0	0	110.6	L75 L78 I79 K82 L89 R93 L141	L75-F91 HydrophobicContact CD1-CD2 4.2Å; L75-F91 HydrophobicContact CD1-CE2 3.74Å; L78-F91 HydrophobicContact CB-CD1 4.28Å; L78-F91 HydrophobicContact CB-CE1 3.79Å; L78-F91 HydrophobicContact CB-CE2 4.15Å; L78-F91 HydrophobicContact CB-CZ 3.72Å; L78-F91 WeakPolarHBondContact O-CE1 3.22Å; I79-F91 HydrophobicContact CG1-CE2 4.09Å; I79-F91 HydrophobicContact CG1-CZ 3.95Å; K82-F91 HydrophobicContact CB-CE1 4.17Å; K82-F91 HydrophobicContact CD-CE1 4.12Å; K82-F91 HydrophobicContact CD-CZ 4.39Å; L89-F91 HydrophobicContact CD2-CD1 4.38Å; L89-F91 HydrophobicContact CD2-CE1 4.2Å; L89-F91 HydrophobicContact CG-CD1 4.05Å; L89-F91 HydrophobicContact CG-CE1 4.19Å; F91-R93 HydrophobicContact CD2-CB 4.36Å; F91-R93 HydrophobicContact CE2-CB 4.35Å; F91-R93 HydrophobicContact CE2-CG 4.26Å; F91-L141 HydrophobicContact CB-CB 4.03Å; F91-L141 HydrophobicContact CB-CD1 4.19Å
92	R	98.9	Very high	98.7	Very high	105 Å²	105	72.4 Å²	72.4	40%	0.396	37%	0.369	S	S	.	.			trans	-87.3	136.2	174.8	-68.1	-167.6	-178	104.3	-0.9	111.2	S102 C103 V142 P143	R92-S102 VanDerWaalsContact CB-O 3.31Å; R92-S102 WeakPolarHBondContact CB-O 3.47Å; R92-C103 VanDerWaalsContact O-CA 3.32Å; R92-C103 WeakPolarHBondContact O-CA 3.46Å; R92-C103 WeakPolarHBondContact O-CB 3.46Å; R92-V142 HydrophobicContact CG-CG1 4.22Å; R92-V142 HydrophobicContact CG-CG2 4.38Å; R92-V142 VanDerWaalsContact NH1-CG1 3.3Å; R92-V142 VanDerWaalsContact NH2-CG1 3.27Å; R92-P143 PolarHBondContact NH1-O 3.31Å; R92-P143 PolarHBondContact NH2-O 3.2Å
93	R	98.8	Very high	98.7	Very high	142 Å²	142	69.6 Å²	69.6	54%	0.536	36%	0.357	S	S	.	.			trans	-156.6	152.1	171.8	84.3	-61.1	173.8	-82	-0.5	111	L75 F91	L75-R93 HydrophobicContact CD1-CB 3.82Å; L75-R93 HydrophobicContact CD1-CG 4.33Å; L75-R93 HydrophobicContact CD2-CB 4.25Å; F91-R93 HydrophobicContact CD2-CB 4.36Å; F91-R93 HydrophobicContact CE2-CB 4.35Å; F91-R93 HydrophobicContact CE2-CG 4.26Å
94	S	98.7	Very high	98.7	Very high	85 Å²	85	64.4 Å²	64.4	59%	0.594	33%	0.331	S	S	*	.	S	Bend	trans	-148.1	-80.4	171.5	-178	0	0	0	0	111.7	R96	S94-R96 VanDerWaalsContact C-N 3.35Å; S94-R96 PolarHBondContact O-N 2.96Å
95	C	98.6	Very high	98.7	Very high	21 Å²	21	58.3 Å²	58.3	14%	0.142	30%	0.302	C	S	.	.			trans	-70.2	-14.7	-166.5	72.5	0	0	0	0	117.3	E97 G98 I99 C100	C95-E97 HydrophobicContact CB-CG 4.32Å; C95-E97 WeakPolarHBondContact O-CG 3.43Å; C95-E97 PolarHBondContact O-N 3.19Å; C95-G98 PolarHBondContact SG-N 3.43Å; C95-G98 VanDerWaalsContact SG-N 3.43Å; C95-I99 HydrophobicContact CB-CG2 3.74Å; C95-I99 PolarHBondContact SG-N 3.37Å; C95-I99 VanDerWaalsContact SG-N 3.35Å; C95-C100 HydrophobicContact CB-CB 3.91Å; C95-C100 PolarHBondContact N-SG 3.25Å; C95-C100 PolarHBondContact SG-N 2.92Å; C95-C100 PolarHBondContact SG-SG 3.06Å
96	R	98.3	Very high	98.7	Very high	187 Å²	187	54.7 Å²	54.7	71%	0.706	29%	0.285	S	S	*	.	S	Bend	trans	51.4	5.9	-174.8	59.2	168.5	164.2	74.8	-1.2	118.5	L75 S94	L75-R96 HydrophobicContact CD2-CB 4.37Å; S94-R96 VanDerWaalsContact C-N 3.35Å; S94-R96 PolarHBondContact O-N 2.96Å
97	E	98.4	Very high	98.7	Very high	115 Å²	115	53.9 Å²	53.9	54%	0.537	28%	0.28	S	S	.	.	S	Bend	trans	-130.7	14.1	-178.5	63.9	-130.7	176.4	0	0	114.2	C95 I99	C95-E97 HydrophobicContact CB-CG 4.32Å; C95-E97 WeakPolarHBondContact O-CG 3.43Å; C95-E97 PolarHBondContact O-N 3.19Å; E97-I99 HydrophobicContact CG-CG2 4.17Å
98	G	98.4	Very high	98.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	27%	0.271	C	S	.	.	S	Bend	trans	79.2	23.5	170.1	0	0	0	0	0	116	C95 C115	C95-G98 PolarHBondContact SG-N 3.43Å; C95-G98 VanDerWaalsContact SG-N 3.43Å; G98-C115 VanDerWaalsContact CA-SG 3.57Å; G98-C115 PolarHBondContact N-SG 3.03Å
99	I	98.6	Very high	98.7	Very high	98 Å²	98	52.6 Å²	52.6	50%	0.503	28%	0.278	S	S	.	.	S	Bend	trans	-102.4	-32.3	177.5	-163.4	61.3	0	0	0	114.2	C95 E97 I189	C95-I99 HydrophobicContact CB-CG2 3.74Å; C95-I99 PolarHBondContact SG-N 3.37Å; C95-I99 VanDerWaalsContact SG-N 3.35Å; E97-I99 HydrophobicContact CG-CG2 4.17Å; I99-I189 HydrophobicContact CD1-CG2 4.23Å; I99-I189 WeakPolarHBondContact O-CB 3.3Å; I99-I189 WeakPolarHBondContact O-CG2 3.17Å
100	C	98.6	Very high	98.7	Very high	48 Å²	48	54.2 Å²	54.2	32%	0.324	29%	0.294	S	S	.	.	S	Bend	trans	-83.9	-16.3	-176.2	72.4	0	0	0	0	115.4	C95 S102	C95-C100 HydrophobicContact CB-CB 3.91Å; C95-C100 PolarHBondContact N-SG 3.25Å; C95-C100 PolarHBondContact SG-N 2.92Å; C95-C100 PolarHBondContact SG-SG 3.06Å; C100-S102 PolarHBondContact O-N 3.27Å; C100-S102 PolarHBondContact SG-N 2.87Å; C100-S102 PolarHBondContact SG-OG 2.56Å
101	G	98.6	Very high	98.7	Very high	8 Å²	8	52.7 Å²	52.7	8%	0.082	28%	0.284	C	S	.	.			trans	73.9	-5.3	-178.2	0	0	0	0	0	117	C103 A104	G101-C103 PolarHBondContact O-N 3.42Å; G101-A104 PolarHBondContact O-N 3.16Å
102	S	98.8	Very high	98.7	Very high	48 Å²	48	52.9 Å²	52.9	34%	0.336	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.8	-170	-47.9	0	0	0	0	115.8	R92 C100 A104	R92-S102 VanDerWaalsContact CB-O 3.31Å; R92-S102 WeakPolarHBondContact CB-O 3.47Å; C100-S102 PolarHBondContact O-N 3.27Å; C100-S102 PolarHBondContact SG-N 2.87Å; C100-S102 PolarHBondContact SG-OG 2.56Å; S102-A104 VanDerWaalsContact C-N 3.28Å; S102-A104 PolarHBondContact O-N 2.99Å
103	C	98.9	Very high	98.7	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.034	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	31.1	-174.8	65.5	0	0	0	0	113.3	R92 G101 M105 A114 C115	R92-C103 VanDerWaalsContact O-CA 3.32Å; R92-C103 WeakPolarHBondContact O-CA 3.46Å; R92-C103 WeakPolarHBondContact O-CB 3.46Å; G101-C103 PolarHBondContact O-N 3.42Å; C103-M105 PolarHBondContact O-N 3.47Å; C103-A114 HydrophobicContact CB-CB 4.25Å; C103-A114 PolarHBondContact O-N 3.49Å; C103-C115 PolarHBondContact SG-SG 3.3Å
104	A	98.9	Very high	98.7	Very high	10 Å²	10	41.1 Å²	41.1	8%	0.083	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.8	173.4	0	0	0	0	0	110.5	G101 S102 T112 L113 L132 C191	G101-A104 PolarHBondContact O-N 3.16Å; S102-A104 VanDerWaalsContact C-N 3.28Å; S102-A104 PolarHBondContact O-N 2.99Å; A104-T112 WeakPolarHBondContact CA-O 3.42Å; A104-L113 HydrophobicContact CB-CD2 4.03Å; A104-L132 HydrophobicContact CB-CD1 4.11Å; A104-L132 HydrophobicContact CB-CD2 4.13Å; A104-L132 HydrophobicContact CB-CG 4.44Å; A104-C191 HydrophobicContact CB-CB 4.1Å; A104-C191 WeakPolarHBondContact CB-O 3.27Å
105	M	98.9	Very high	98.7	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	171.8	179.9	61.4	-174.7	69.9	0	0	110.3	L78 C103 I107 N111 T112 A114 I129 Y130 L141	L78-M105 HydrophobicContact CD1-CE 3.77Å; L78-M105 HydrophobicContact CD1-SD 3.72Å; C103-M105 PolarHBondContact O-N 3.47Å; M105-I107 HydrophobicContact CG-CD1 3.99Å; M105-I107 HydrophobicContact CG-CG1 3.8Å; M105-I107 HydrophobicContact SD-CD1 4.29Å; M105-I107 HydrophobicContact SD-CG1 4.32Å; M105-N111 WeakPolarHBondContact O-CA 3.48Å; M105-T112 PolarHBondContact N-O 2.95Å; M105-T112 PolarHBondContact O-N 3.46Å; M105-A114 HydrophobicContact CE-CB 3.74Å; M105-A114 HydrophobicContact CG-CB 4.32Å; M105-A114 HydrophobicContact SD-CB 3.78Å; M105-I129 HydrophobicContact CG-CG2 4.43Å; M105-I129 HydrophobicContact SD-CG2 3.57Å; M105-I129 VanDerWaalsContact SD-CG2 3.57Å; M105-Y130 WeakPolarHBondContact CB-O 3.44Å; M105-L141 HydrophobicContact CE-CD1 4.39Å; M105-L141 HydrophobicContact SD-CD1 4.21Å
106	N	98.9	Very high	98.7	Very high	17 Å²	17	39.7 Å²	39.7	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.5	174.6	-172.2	-81.5	0	0	0	109.9	G109 G110 N111 I129 Y130 P133	N106-G109 PolarHBondContact ND2-O 2.97Å; N106-G109 WeakPolarHBondContact OD1-CA 3.24Å; N106-G109 PolarHBondContact OD1-N 3.41Å; N106-G109 VanDerWaalsContact OD1-N 3.15Å; N106-G110 CarbonylContact C-O 3.59Å; N106-G110 WeakPolarHBondContact CA-O 3.39Å; N106-N111 PolarHBondContact ND2-OD1 3.33Å; N106-I129 WeakPolarHBondContact O-CA 3.15Å; N106-Y130 PolarHBondContact N-O 3.31Å; N106-Y130 PolarHBondContact O-N 2.86Å; N106-P133 HydrophobicContact CB-CG 4.38Å
107	I	98.9	Very high	98.7	Very high	7 Å²	7	33 Å²	33	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.7	-179.7	-53.7	176.2	0	0	0	107.8	V74 M105 G109 G110 T112 A114 N117 K128	V74-I107 HydrophobicContact CB-CD1 4Å; V74-I107 HydrophobicContact CG1-CD1 3.82Å; V74-I107 HydrophobicContact CG2-CD1 4.26Å; V74-I107 HydrophobicContact CG2-CG2 4.31Å; M105-I107 HydrophobicContact CG-CD1 3.99Å; M105-I107 HydrophobicContact CG-CG1 3.8Å; M105-I107 HydrophobicContact SD-CD1 4.29Å; M105-I107 HydrophobicContact SD-CG1 4.32Å; I107-G109 PolarHBondContact O-N 3.29Å; I107-G110 PolarHBondContact N-O 3.28Å; I107-G110 PolarHBondContact O-N 2.86Å; I107-T112 HydrophobicContact CB-CG2 4.16Å; I107-T112 HydrophobicContact CD1-CG2 3.72Å; I107-T112 HydrophobicContact CG1-CG2 4.07Å; I107-A114 HydrophobicContact CD1-CB 4.12Å; I107-N117 HydrophobicContact CD1-CB 3.91Å; I107-K128 WeakPolarHBondContact CA-O 3.31Å
108	N	98.4	Very high	98.7	Very high	84 Å²	84	35.1 Å²	35.1	45%	0.449	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	35.9	-178	-65	-27.2	0	0	0	113.5	S127 K128	N108-S127 VanDerWaalsContact OD1-CA 3.24Å; N108-S127 WeakPolarHBondContact OD1-CA 3.49Å; N108-K128 PolarHBondContact N-O 3.21Å; N108-K128 PolarHBondContact OD1-N 3.41Å
109	G	98.1	Very high	98.7	Very high	61 Å²	61	35.8 Å²	35.8	63%	0.629	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-10.9	178.7	0	0	0	0	0	114.8	N106 I107	N106-G109 PolarHBondContact ND2-O 2.97Å; N106-G109 WeakPolarHBondContact OD1-CA 3.24Å; N106-G109 PolarHBondContact OD1-N 3.41Å; N106-G109 VanDerWaalsContact OD1-N 3.15Å; I107-G109 PolarHBondContact O-N 3.29Å
110	G	98.6	Very high	98.7	Very high	33 Å²	33	34 Å²	34	34%	0.34	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.7	178.3	0	0	0	0	0	113.2	N106 I107	N106-G110 CarbonylContact C-O 3.59Å; N106-G110 WeakPolarHBondContact CA-O 3.39Å; I107-G110 PolarHBondContact N-O 3.28Å; I107-G110 PolarHBondContact O-N 2.86Å
111	N	98.9	Very high	98.6	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.8	172.7	-64.5	-4.4	0	0	0	109.8	M105 N106 L132 P133 C193 T196 S197 T254	M105-N111 WeakPolarHBondContact O-CA 3.48Å; N106-N111 PolarHBondContact ND2-OD1 3.33Å; N111-L132 HydrophobicContact CB-CD2 4.44Å; N111-P133 WeakPolarHBondContact OD1-CD 3.38Å; N111-P133 WeakPolarHBondContact OD1-CG 3.43Å; N111-C193 HydrophobicContact CB-CB 3.94Å; N111-C193 PolarHBondContact ND2-O 3.17Å; N111-T196 PolarHBondContact ND2-O 3.05Å; N111-T196 PolarHBondContact ND2-OG1 3.08Å; N111-T196 VanDerWaalsContact ND2-OG1 3.08Å; N111-S197 PolarHBondContact ND2-N 3.5Å; N111-T254 HydrophobicContact CB-CG2 4.32Å; N111-T254 WeakPolarHBondContact CB-OG1 3.22Å; N111-T254 PolarHBondContact N-OG1 2.89Å; N111-T254 PolarHBondContact O-OG1 3.29Å
112	T	98.9	Very high	98.6	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.153	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-179.7	-178.6	-167.4	0	0	0	0	110.5	A104 M105 I107 N117	A104-T112 WeakPolarHBondContact CA-O 3.42Å; M105-T112 PolarHBondContact N-O 2.95Å; M105-T112 PolarHBondContact O-N 3.46Å; I107-T112 HydrophobicContact CB-CG2 4.16Å; I107-T112 HydrophobicContact CD1-CG2 3.72Å; I107-T112 HydrophobicContact CG1-CG2 4.07Å; T112-N117 HydrophobicContact CG2-CB 3.78Å
113	L	98.9	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.5	171.7	-53.6	-179.4	0	0	0	108.8	A104 C115 L116 N117 I189 C191 P256	A104-L113 HydrophobicContact CB-CD2 4.03Å; L113-C115 PolarHBondContact O-N 2.78Å; L113-C115 VanDerWaalsContact O-N 3.1Å; L113-L116 HydrophobicContact CB-CB 4.46Å; L113-L116 HydrophobicContact CB-CG 4.43Å; L113-L116 HydrophobicContact CD1-CD1 4.07Å; L113-L116 PolarHBondContact O-N 3.27Å; L113-N117 PolarHBondContact O-N 3.01Å; L113-I189 HydrophobicContact CD1-CD1 3.68Å; L113-I189 HydrophobicContact CD2-CD1 4.46Å; L113-C191 HydrophobicContact CD2-CB 3.99Å; L113-P256 HydrophobicContact CD1-CB 4.02Å; L113-P256 HydrophobicContact CD1-CG 4.01Å; L113-P256 HydrophobicContact CD2-CG 4.19Å; L113-P256 HydrophobicContact CG-CB 3.77Å; L113-P256 HydrophobicContact CG-CG 3.76Å
114	A	98.9	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.9	179.6	0	0	0	0	0	113.1	V74 L75 L78 C103 M105 I107 L116	V74-A114 HydrophobicContact CG1-CB 4.48Å; V74-A114 PolarHBondContact N-O 2.67Å; L75-A114 HydrophobicContact CB-CB 3.98Å; L75-A114 PolarHBondContact N-O 3.25Å; L78-A114 HydrophobicContact CD1-CB 4.29Å; C103-A114 HydrophobicContact CB-CB 4.25Å; C103-A114 PolarHBondContact O-N 3.49Å; M105-A114 HydrophobicContact CE-CB 3.74Å; M105-A114 HydrophobicContact CG-CB 4.32Å; M105-A114 HydrophobicContact SD-CB 3.78Å; I107-A114 HydrophobicContact CD1-CB 4.12Å; A114-L116 VanDerWaalsContact C-N 3.3Å; A114-L116 PolarHBondContact O-N 2.87Å
115	C	98.8	Very high	98.3	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.034	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.5	178	64.9	0	0	0	0	115.1	M73 L75 G98 C103 L113	M73-C115 WeakPolarHBondContact CG-O 3.31Å; L75-C115 HydrophobicContact CB-CB 4.18Å; L75-C115 HydrophobicContact CD2-CB 3.6Å; G98-C115 VanDerWaalsContact CA-SG 3.57Å; G98-C115 PolarHBondContact N-SG 3.03Å; C103-C115 PolarHBondContact SG-SG 3.3Å; L113-C115 PolarHBondContact O-N 2.78Å; L113-C115 VanDerWaalsContact O-N 3.1Å
116	L	98.5	Very high	98.2	Very high	72 Å²	72	51.6 Å²	51.6	38%	0.377	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-9.5	176.3	-62	-174	0	0	0	112.4	L113 A114 K118	L113-L116 HydrophobicContact CB-CB 4.46Å; L113-L116 HydrophobicContact CB-CG 4.43Å; L113-L116 HydrophobicContact CD1-CD1 4.07Å; L113-L116 PolarHBondContact O-N 3.27Å; A114-L116 VanDerWaalsContact C-N 3.3Å; A114-L116 PolarHBondContact O-N 2.87Å; L116-K118 PolarHBondContact O-N 3.48Å
117	N	98.7	Very high	98.2	Very high	45 Å²	45	50.8 Å²	50.8	24%	0.241	29%	0.294	C	S	.	.	S	Bend	trans	-87.1	111.3	-179	-166.8	-102.5	0	0	0	109.7	M73 V74 I107 T112 L113	M73-N117 CarbonylContact C-O 3.54Å; M73-N117 WeakPolarHBondContact CA-O 3.39Å; V74-N117 HydrophobicContact CG2-CB 4.35Å; V74-N117 WeakPolarHBondContact CG2-OD1 3.39Å; V74-N117 PolarHBondContact N-O 3.03Å; I107-N117 HydrophobicContact CD1-CB 3.91Å; T112-N117 HydrophobicContact CG2-CB 3.78Å; L113-N117 PolarHBondContact O-N 3.01Å
118	K	98.7	Very high	98.2	Very high	161 Å²	161	55 Å²	55	70%	0.7	31%	0.312	S	S	*	.	B	Isolated β-bridge	trans	-63.7	140	175	-67.6	-174.7	178.9	-177.7	0	110.2	P72 M73 L116 D120	P72-K118 WeakPolarHBondContact O-CA 3.14Å; M73-K118 HydrophobicContact CE-CG 4.4Å; M73-K118 HydrophobicContact SD-CG 3.93Å; L116-K118 PolarHBondContact O-N 3.48Å; K118-D120 PolarHBondContact O-N 3.27Å
119	I	98.8	Very high	98.3	Very high	14 Å²	14	51 Å²	51	7%	0.072	29%	0.291	C	S	.	.			trans	-62.5	128.2	171	-63	169.7	0	0	0	108.8	K42 F44 L67 G71 P72 M73 V74 A77 T121	K42-I119 HydrophobicContact CG-CG2 4.23Å; F44-I119 HydrophobicContact CE1-CG2 4.49Å; F44-I119 HydrophobicContact CZ-CD1 4.09Å; F44-I119 HydrophobicContact CZ-CG1 4.07Å; F44-I119 HydrophobicContact CZ-CG2 3.82Å; L67-I119 HydrophobicContact CD1-CG2 4.23Å; L67-I119 HydrophobicContact CD2-CD1 4.15Å; L67-I119 HydrophobicContact CD2-CG2 3.84Å; G71-I119 WeakPolarHBondContact O-CD1 3.26Å; P72-I119 PolarHBondContact O-N 3.35Å; M73-I119 WeakPolarHBondContact O-CD1 3.43Å; V74-I119 HydrophobicContact CG2-CG1 4.14Å; A77-I119 HydrophobicContact CB-CD1 3.93Å; I119-T121 PolarHBondContact O-N 2.98Å
120	D	97.9	Very high	98.3	Very high	61 Å²	61	52 Å²	52	33%	0.326	28%	0.276	S	S	.	.			trans	-64.7	114.2	168.6	176	7.8	0	0	0	109.7	K42 K118 N122	K42-D120 WeakPolarHBondContact CD-O 3.42Å; K42-D120 WeakPolarHBondContact CE-O 3.34Å; K42-D120 PolarHBondContact NZ-O 3.2Å; K42-D120 IonicContact NZ-OD2 2.71Å; K118-D120 PolarHBondContact O-N 3.27Å; D120-N122 PolarHBondContact O-N 3.22Å; D120-N122 VanDerWaalsContact OD1-CB 3.24Å; D120-N122 WeakPolarHBondContact OD1-CB 3.47Å; D120-N122 PolarHBondContact OD1-N 3.19Å
121	T	97.2	Very high	98.3	Very high	88 Å²	88	51 Å²	51	54%	0.54	26%	0.263	S	S	.	.			trans	-76.7	-3.7	-177.1	54	0	0	0	0	113.7	I119 L123	I119-T121 PolarHBondContact O-N 2.98Å; T121-L123 PolarHBondContact O-N 3.04Å; T121-L123 VanDerWaalsContact O-N 3.08Å
122	N	97.6	Very high	98.3	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	26%	0.262	S	S	.	.			trans	-70	101.8	170.1	-174.6	-9	0	0	0	110.6	K42 D120 S124 K125	K42-N122 PolarHBondContact NZ-O 2.99Å; D120-N122 PolarHBondContact O-N 3.22Å; D120-N122 VanDerWaalsContact OD1-CB 3.24Å; D120-N122 WeakPolarHBondContact OD1-CB 3.47Å; D120-N122 PolarHBondContact OD1-N 3.19Å; N122-S124 PolarHBondContact O-N 3.17Å; N122-S124 WeakPolarHBondContact OD1-CB 3.46Å; N122-S124 PolarHBondContact OD1-N 3.2Å; N122-S124 VanDerWaalsContact OD1-N 3.11Å; N122-S124 PolarHBondContact OD1-OG 3.17Å; N122-K125 PolarHBondContact O-N 2.77Å
123	L	97.7	Very high	98.3	Very high	67 Å²	67	51.2 Å²	51.2	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.7	-176.1	-52.7	-175.5	0	0	0	113.3	R40 K42 L67 T121 K125	R40-L123 HydrophobicContact CB-CD1 4.12Å; R40-L123 HydrophobicContact CB-CD2 4.48Å; R40-L123 HydrophobicContact CG-CD1 4.45Å; K42-L123 HydrophobicContact CB-CD2 4.2Å; L67-L123 HydrophobicContact CD1-CD2 3.79Å; L67-L123 HydrophobicContact CG-CD2 4.44Å; T121-L123 PolarHBondContact O-N 3.04Å; T121-L123 VanDerWaalsContact O-N 3.08Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 3.42Å
124	S	96.7	Very high	98.3	Very high	96 Å²	96	57.3 Å²	57.3	67%	0.671	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-20.1	-179.3	70.1	0	0	0	0	113.7	N122	N122-S124 PolarHBondContact O-N 3.17Å; N122-S124 WeakPolarHBondContact OD1-CB 3.46Å; N122-S124 PolarHBondContact OD1-N 3.2Å; N122-S124 VanDerWaalsContact OD1-N 3.11Å; N122-S124 PolarHBondContact OD1-OG 3.17Å
125	K	96.2	Very high	98.3	Very high	126 Å²	126	59 Å²	59	55%	0.548	30%	0.302	S	S	.	.	S	Bend	trans	-109.3	123.3	-177	-66.8	-175.1	-179.5	-178.8	0	110.4	K42 N122 L123	K42-K125 VanDerWaalsContact CE-O 3.26Å; K42-K125 WeakPolarHBondContact CE-O 3.34Å; K42-K125 PolarHBondContact NZ-O 3.08Å; N122-K125 PolarHBondContact O-N 2.77Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 3.42Å
126	P	97.9	Very high	98.3	Very high	48 Å²	48	68.6 Å²	68.6	31%	0.312	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-69.6	138.7	171.8	28.3	-32.7	0	0	0	110.4	K43 Q45	K43-P126 HydrophobicContact CB-CB 3.92Å; K43-P126 CarbonylContact O-C 3.57Å; K43-P126 VanDerWaalsContact O-CA 3.31Å; K43-P126 WeakPolarHBondContact O-CA 3.17Å; Q45-P126 HydrophobicContact CG-CB 4.04Å
127	S	98.6	Very high	98.3	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124	170.4	-69	0	0	0	0	109.6	K42 K43 F44 Q45 N108	K42-S127 VanDerWaalsContact CE-OG 3.22Å; K42-S127 WeakPolarHBondContact CE-OG 3.46Å; K43-S127 PolarHBondContact O-N 3.01Å; F44-S127 CarbonylContact C-O 3.52Å; F44-S127 WeakPolarHBondContact CA-O 3.45Å; Q45-S127 PolarHBondContact N-O 3.05Å; N108-S127 VanDerWaalsContact OD1-CA 3.24Å; N108-S127 WeakPolarHBondContact OD1-CA 3.49Å
128	K	98.9	Very high	98.3	Very high	96 Å²	96	68 Å²	68	42%	0.417	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.2	179.1	-63.8	-178.2	-179.1	-179.8	0	110.4	Q45 I107 N108 Y130	Q45-K128 HydrophobicContact CB-CG 4.24Å; Q45-K128 CarbonylContact O-C 3.59Å; Q45-K128 WeakPolarHBondContact O-CA 3.32Å; Q45-K128 VanDerWaalsContact OE1-CE 3.31Å; I107-K128 WeakPolarHBondContact CA-O 3.31Å; N108-K128 PolarHBondContact N-O 3.21Å; N108-K128 PolarHBondContact OD1-N 3.41Å; K128-Y130 HydrophobicContact CB-CD2 4.44Å; K128-Y130 HydrophobicContact CB-CE2 3.88Å; K128-Y130 HydrophobicContact CD-CE2 4.45Å
129	I	98.9	Very high	98.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.5	-178	-54.2	179	0	0	0	109	F44 Q45 V46 Y47 V74 L78 M105 N106 L141	F44-I129 HydrophobicContact CD1-CD1 3.93Å; Q45-I129 PolarHBondContact O-N 3.09Å; V46-I129 HydrophobicContact CG1-CB 4.44Å; V46-I129 HydrophobicContact CG2-CB 4.41Å; V46-I129 HydrophobicContact CG2-CD1 4.32Å; Y47-I129 PolarHBondContact N-O 3.46Å; V74-I129 HydrophobicContact CG1-CD1 3.54Å; V74-I129 HydrophobicContact CG1-CG1 4.46Å; L78-I129 HydrophobicContact CD2-CD1 3.89Å; L78-I129 HydrophobicContact CG-CD1 4.34Å; M105-I129 HydrophobicContact CG-CG2 4.43Å; M105-I129 HydrophobicContact SD-CG2 3.57Å; M105-I129 VanDerWaalsContact SD-CG2 3.57Å; N106-I129 WeakPolarHBondContact O-CA 3.15Å; I129-L141 HydrophobicContact CG2-CD1 3.7Å; I129-L141 HydrophobicContact CG2-CD2 3.97Å
130	Y	98.9	Very high	98.3	Very high	82 Å²	82	62.2 Å²	62.2	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161.7	178.2	-67.3	-87.2	0	0	0	110.5	Y47 M60 M105 N106 K128	Y47-Y130 AromaticContact CD2-CD1 3.95Å; Y47-Y130 HydrophobicContact CD2-CD1 3.95Å; Y47-Y130 HydrophobicContact CD2-CE1 4.37Å; Y47-Y130 HydrophobicContact CG-CD1 4.35Å; M60-Y130 HydrophobicContact CE-CE1 3.97Å; M60-Y130 HydrophobicContact CE-CE2 4.25Å; M60-Y130 HydrophobicContact SD-CD1 4.17Å; M60-Y130 HydrophobicContact SD-CE1 3.36Å; M60-Y130 WeakPolarHBondContact SD-CE1 3.46Å; M105-Y130 WeakPolarHBondContact CB-O 3.44Å; N106-Y130 PolarHBondContact N-O 3.31Å; N106-Y130 PolarHBondContact O-N 2.86Å; K128-Y130 HydrophobicContact CB-CD2 4.44Å; K128-Y130 HydrophobicContact CB-CE2 3.88Å; K128-Y130 HydrophobicContact CD-CE2 4.45Å
131	P	98.9	Very high	98.4	Very high	10 Å²	10	59.5 Å²	59.5	7%	0.065	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.4	173.2	165.9	-17	30	0	0	0	111.4	Y47 V137 D140 L141	Y47-P131 HydrophobicContact CD1-CG 3.75Å; Y47-P131 HydrophobicContact CE1-CG 4.06Å; Y47-P131 HydrophobicContact CG-CG 4.09Å; P131-V137 HydrophobicContact CB-CG2 4.15Å; P131-V137 HydrophobicContact CG-CG1 4.45Å; P131-V137 HydrophobicContact CG-CG2 3.83Å; P131-D140 WeakPolarHBondContact CG-O 3.29Å; P131-L141 HydrophobicContact CG-CD2 4.43Å
132	L	98.9	Very high	98.4	Very high	5 Å²	5	56 Å²	56	3%	0.026	28%	0.278	C	S	.	.	S	Bend	trans	-58.3	134.2	168.5	-69.2	178.4	0	0	0	110.2	A104 N111 M135 P143 M145 A192 T196	A104-L132 HydrophobicContact CB-CD1 4.11Å; A104-L132 HydrophobicContact CB-CD2 4.13Å; A104-L132 HydrophobicContact CB-CG 4.44Å; N111-L132 HydrophobicContact CB-CD2 4.44Å; L132-M135 HydrophobicContact CB-CG 4.07Å; L132-P143 HydrophobicContact CB-CG 4.37Å; L132-P143 HydrophobicContact CD1-CG 4.35Å; L132-P143 HydrophobicContact CG-CG 4.48Å; L132-M145 HydrophobicContact CD1-SD 4.33Å; L132-A192 HydrophobicContact CD1-CB 4.2Å; L132-T196 HydrophobicContact CB-CG2 3.95Å; L132-T196 HydrophobicContact CD1-CG2 4.11Å
133	P	98.9	Very high	98.5	Very high	34 Å²	34	53.1 Å²	53.1	22%	0.221	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	145.8	-172.5	-23.2	33.1	0	0	0	113.9	N106 N111 M135 T196 W202	N106-P133 HydrophobicContact CB-CG 4.38Å; N111-P133 WeakPolarHBondContact OD1-CD 3.38Å; N111-P133 WeakPolarHBondContact OD1-CG 3.43Å; P133-M135 VanDerWaalsContact C-N 3.25Å; P133-M135 PolarHBondContact O-N 3Å; P133-T196 WeakPolarHBondContact CD-O 3.04Å; P133-W202 HydrophobicContact CB-CZ2 4.1Å
134	H	98.7	Very high	98.5	Very high	127 Å²	127	53.1 Å²	53.1	59%	0.588	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	36.5	174.8	-156.7	-76	0	0	0	114	W202	H134-W202 HydrophobicContact CB-CB 3.96Å; H134-W202 HydrophobicContact CB-CG 3.78Å; H134-W202 PolarHBondContact CE1-O 3.4Å; H134-W202 PolarHBondContact ND1-O 3.08Å; H134-W202 PolarHBondContact NE2-O 3.32Å
135	M	98.6	Very high	98.6	Very high	37 Å²	37	49.3 Å²	49.3	18%	0.182	24%	0.235	C	C	.	.	S	Bend	trans	-114	147.7	174.2	-61	-69.2	-80.8	0	0	109.2	L132 P133 V137 P143 D144 M145 T196	L132-M135 HydrophobicContact CB-CG 4.07Å; P133-M135 VanDerWaalsContact C-N 3.25Å; P133-M135 PolarHBondContact O-N 3Å; M135-V137 PolarHBondContact O-N 3.06Å; M135-P143 HydrophobicContact CB-CB 3.68Å; M135-P143 HydrophobicContact CE-CB 4.47Å; M135-P143 HydrophobicContact CG-CB 4.21Å; M135-D144 WeakPolarHBondContact CE-O 3.49Å; M135-M145 HydrophobicContact CE-SD 3.86Å; M135-T196 HydrophobicContact CE-CG2 4.31Å; M135-T196 HydrophobicContact CG-CG2 3.81Å; M135-T196 HydrophobicContact SD-CG2 3.68Å
136	Y	98.7	Very high	98.8	Very high	205 Å²	205	46.5 Å²	46.5	80%	0.804	23%	0.231	S	C	*	.			trans	-63.4	129.4	166.4	-69.8	-72.2	0	0	0	109.1	P143 D144	Y136-P143 CarbonylContact O-C 3.53Å; Y136-P143 WeakPolarHBondContact O-CA 3.38Å; Y136-D144 PolarHBondContact O-N 2.93Å
137	V	98.8	Very high	98.8	Very high	34 Å²	34	47.5 Å²	47.5	21%	0.206	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128	-179.9	-179.1	0	0	0	0	108.7	Y47 W49 P131 M135 D140	Y47-V137 HydrophobicContact CE1-CG1 3.98Å; Y47-V137 HydrophobicContact CE1-CG2 4.34Å; W49-V137 HydrophobicContact CE3-CG1 4.24Å; W49-V137 WeakPolarHBondContact CZ3-O 3.3Å; P131-V137 HydrophobicContact CB-CG2 4.15Å; P131-V137 HydrophobicContact CG-CG1 4.45Å; P131-V137 HydrophobicContact CG-CG2 3.83Å; M135-V137 PolarHBondContact O-N 3.06Å; V137-D140 WeakPolarHBondContact CG1-O 3.42Å
138	V	98.8	Very high	98.8	Very high	71 Å²	71	47.5 Å²	47.5	43%	0.43	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-45.3	175.3	179.3	0	0	0	0	110.5	W49 P51 V142 D144	W49-V138 VanDerWaalsContact CZ3-O 3.26Å; W49-V138 WeakPolarHBondContact CZ3-O 3.35Å; P51-V138 VanDerWaalsContact CG-O 3.32Å; P51-V138 WeakPolarHBondContact CG-O 3.48Å; V138-V142 HydrophobicContact CB-CG1 4.33Å; V138-V142 WeakPolarHBondContact CB-O 3.34Å; V138-V142 PolarHBondContact N-O 2.9Å; V138-D144 HydrophobicContact CG2-CB 3.9Å
139	K	98.8	Very high	98.8	Very high	51 Å²	51	48.7 Å²	48.7	22%	0.222	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	135.7	174.6	-174	166.2	-176.5	128.1	0	109.2	D50 P51 D52 L141 V142	D50-K139 IonicContact OD1-NZ 3.11Å; D50-K139 PolarHBondContact OD1-NZ 2.7Å; P51-K139 HydrophobicContact CG-CB 4.34Å; P51-K139 HydrophobicContact CG-CD 4.46Å; D52-K139 IonicContact OD2-NZ 2.71Å; D52-K139 PolarHBondContact OD2-NZ 3.49Å; K139-L141 PolarHBondContact O-N 3.16Å; K139-L141 VanDerWaalsContact O-N 3.08Å; K139-V142 WeakPolarHBondContact O-CB 3.32Å; K139-V142 WeakPolarHBondContact O-CG2 3.48Å; K139-V142 PolarHBondContact O-N 3.44Å
140	D	98.8	Very high	98.8	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.6	-115.1	178.4	-69.1	-24.8	0	0	0	113.2	Y47 R48 W49 L89 T90 P131 V137 V142	Y47-D140 VanDerWaalsContact CD1-O 3.27Å; Y47-D140 WeakPolarHBondContact CD1-O 3.41Å; Y47-D140 WeakPolarHBondContact CE1-O 3.31Å; R48-D140 VanDerWaalsContact CA-OD1 3.29Å; R48-D140 WeakPolarHBondContact CA-OD1 3.48Å; R48-D140 IonicContact CZ-OD1 3.67Å; R48-D140 IonicContact CZ-OD2 2.83Å; R48-D140 IonicContact NE-OD1 3.6Å; R48-D140 PolarHBondContact NE-OD1 3.16Å; R48-D140 IonicContact NE-OD2 2.68Å; R48-D140 PolarHBondContact NE-OD2 3.18Å; R48-D140 IonicContact NH2-OD1 2.76Å; R48-D140 IonicContact NH2-OD2 3.82Å; R48-D140 PolarHBondContact NH2-OD2 3.16Å; W49-D140 PolarHBondContact N-OD1 3.26Å; W49-D140 VanDerWaalsContact N-OD1 3.09Å; W49-D140 PolarHBondContact O-N 3.24Å; L89-D140 WeakPolarHBondContact CA-OD2 3.36Å; T90-D140 PolarHBondContact N-OD2 2.68Å; T90-D140 VanDerWaalsContact O-CB 3.23Å; T90-D140 WeakPolarHBondContact O-CB 3.49Å; P131-D140 WeakPolarHBondContact CG-O 3.29Å; V137-D140 WeakPolarHBondContact CG1-O 3.42Å; D140-V142 VanDerWaalsContact C-N 3.31Å; D140-V142 PolarHBondContact O-N 3.03Å
141	L	98.9	Very high	98.8	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	15	-176.5	-58.3	179.1	0	0	0	113.6	V46 L78 T90 F91 M105 I129 P131 K139 P143	V46-L141 HydrophobicContact CG1-CD1 3.83Å; V46-L141 HydrophobicContact CG1-CD2 4.02Å; V46-L141 HydrophobicContact CG1-CG 4.07Å; L78-L141 HydrophobicContact CD1-CD1 4.34Å; L78-L141 HydrophobicContact CD2-CD1 4.15Å; T90-L141 PolarHBondContact O-N 3.11Å; F91-L141 HydrophobicContact CB-CB 4.03Å; F91-L141 HydrophobicContact CB-CD1 4.19Å; M105-L141 HydrophobicContact CE-CD1 4.39Å; M105-L141 HydrophobicContact SD-CD1 4.21Å; I129-L141 HydrophobicContact CG2-CD1 3.7Å; I129-L141 HydrophobicContact CG2-CD2 3.97Å; P131-L141 HydrophobicContact CG-CD2 4.43Å; K139-L141 PolarHBondContact O-N 3.16Å; K139-L141 VanDerWaalsContact O-N 3.08Å; L141-P143 WeakPolarHBondContact O-CD 3.38Å
142	V	98.9	Very high	98.8	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	100.1	-173.2	-175.2	0	0	0	0	109.8	T90 R92 V138 K139 D140	T90-V142 HydrophobicContact CG2-CG2 3.86Å; R92-V142 HydrophobicContact CG-CG1 4.22Å; R92-V142 HydrophobicContact CG-CG2 4.38Å; R92-V142 VanDerWaalsContact NH1-CG1 3.3Å; R92-V142 VanDerWaalsContact NH2-CG1 3.27Å; V138-V142 HydrophobicContact CB-CG1 4.33Å; V138-V142 WeakPolarHBondContact CB-O 3.34Å; V138-V142 PolarHBondContact N-O 2.9Å; K139-V142 WeakPolarHBondContact O-CB 3.32Å; K139-V142 WeakPolarHBondContact O-CG2 3.48Å; K139-V142 PolarHBondContact O-N 3.44Å; D140-V142 VanDerWaalsContact C-N 3.31Å; D140-V142 PolarHBondContact O-N 3.03Å
143	P	98.8	Very high	98.8	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.039	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	156	172.6	31.4	-35.3	0	0	0	111.6	R92 L132 M135 Y136 L141 M145	R92-P143 PolarHBondContact NH1-O 3.31Å; R92-P143 PolarHBondContact NH2-O 3.2Å; L132-P143 HydrophobicContact CB-CG 4.37Å; L132-P143 HydrophobicContact CD1-CG 4.35Å; L132-P143 HydrophobicContact CG-CG 4.48Å; M135-P143 HydrophobicContact CB-CB 3.68Å; M135-P143 HydrophobicContact CE-CB 4.47Å; M135-P143 HydrophobicContact CG-CB 4.21Å; Y136-P143 CarbonylContact O-C 3.53Å; Y136-P143 WeakPolarHBondContact O-CA 3.38Å; L141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-M145 HydrophobicContact CG-CG 4.5Å; P143-M145 HydrophobicContact CG-SD 4.12Å
144	D	98.8	Very high	98.8	Very high	67 Å²	67	59.1 Å²	59.1	36%	0.358	30%	0.296	S	S	.	.			trans	-75.2	127.2	162.8	-176.6	11	0	0	0	109.8	M135 Y136 V138 S146	M135-D144 WeakPolarHBondContact CE-O 3.49Å; Y136-D144 PolarHBondContact O-N 2.93Å; V138-D144 HydrophobicContact CG2-CB 3.9Å; D144-S146 VanDerWaalsContact CG-OG 3.23Å; D144-S146 VanDerWaalsContact OD1-CB 3.26Å; D144-S146 WeakPolarHBondContact OD1-CB 3.34Å; D144-S146 PolarHBondContact OD1-N 3.37Å; D144-S146 PolarHBondContact OD1-OG 3.02Å; D144-S146 VanDerWaalsContact OD1-OG 3.1Å; D144-S146 PolarHBondContact OD2-OG 3.36Å
145	M	98.7	Very high	98.8	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.079	27%	0.272	C	S	.	.			trans	-108.8	3.5	-176.6	-63.3	-72.1	-65.2	0	0	112.6	L132 M135 P143 N147 F148 Y149 A192	L132-M145 HydrophobicContact CD1-SD 4.33Å; M135-M145 HydrophobicContact CE-SD 3.86Å; P143-M145 HydrophobicContact CG-CG 4.5Å; P143-M145 HydrophobicContact CG-SD 4.12Å; M145-N147 PolarHBondContact O-N 2.93Å; M145-F148 HydrophobicContact CE-CB 4.45Å; M145-F148 HydrophobicContact CE-CD1 3.7Å; M145-F148 HydrophobicContact CE-CE1 4.21Å; M145-F148 HydrophobicContact CE-CG 4.16Å; M145-F148 WeakPolarHBondContact O-CB 3.32Å; M145-F148 PolarHBondContact O-N 3.2Å; M145-Y149 HydrophobicContact CB-CD2 3.86Å; M145-Y149 HydrophobicContact CB-CE2 3.33Å; M145-Y149 HydrophobicContact CG-CE2 4.36Å; M145-Y149 WeakPolarHBondContact O-CD2 3.41Å; M145-Y149 PolarHBondContact O-N 2.84Å; M145-A192 HydrophobicContact CE-CB 3.55Å; M145-A192 HydrophobicContact SD-CB 4.43Å
146	S	98.7	Very high	98.8	Very high	66 Å²	66	54.2 Å²	54.2	46%	0.462	27%	0.274	S	S	.	.	H	α-helix	trans	-52.8	-53.6	-174.6	60.2	0	0	0	0	113	D144 F148 Y149 A150	D144-S146 VanDerWaalsContact CG-OG 3.23Å; D144-S146 VanDerWaalsContact OD1-CB 3.26Å; D144-S146 WeakPolarHBondContact OD1-CB 3.34Å; D144-S146 PolarHBondContact OD1-N 3.37Å; D144-S146 PolarHBondContact OD1-OG 3.02Å; D144-S146 VanDerWaalsContact OD1-OG 3.1Å; D144-S146 PolarHBondContact OD2-OG 3.36Å; S146-F148 PolarHBondContact O-N 3.2Å; S146-Y149 PolarHBondContact O-N 3.07Å; S146-A150 PolarHBondContact O-N 3.35Å
147	N	98.8	Very high	98.8	Very high	69 Å²	69	45.7 Å²	45.7	37%	0.369	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-43.9	178.3	178.4	51.9	0	0	0	112.4	M145 Y149 A150 Q151 G205	M145-N147 PolarHBondContact O-N 2.93Å; N147-Y149 VanDerWaalsContact C-N 3.31Å; N147-Y149 PolarHBondContact O-N 2.84Å; N147-A150 PolarHBondContact O-N 3.22Å; N147-Q151 WeakPolarHBondContact O-CG 3.4Å; N147-Q151 PolarHBondContact O-N 3.17Å; N147-G205 PolarHBondContact ND2-O 2.94Å
148	F	98.9	Very high	98.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-43.2	178.2	174.5	-96.6	0	0	0	111.8	M145 S146 Y152 L190 A192 A212	M145-F148 HydrophobicContact CE-CB 4.45Å; M145-F148 HydrophobicContact CE-CD1 3.7Å; M145-F148 HydrophobicContact CE-CE1 4.21Å; M145-F148 HydrophobicContact CE-CG 4.16Å; M145-F148 WeakPolarHBondContact O-CB 3.32Å; M145-F148 PolarHBondContact O-N 3.2Å; S146-F148 PolarHBondContact O-N 3.2Å; F148-Y152 PolarHBondContact O-N 2.87Å; F148-Y152 VanDerWaalsContact O-N 3.09Å; F148-L190 HydrophobicContact CE1-CB 4.33Å; F148-L190 WeakPolarHBondContact CE1-O 3.48Å; F148-A192 HydrophobicContact CD1-CB 4.24Å; F148-A192 HydrophobicContact CD2-CB 3.82Å; F148-A192 HydrophobicContact CE1-CB 4.07Å; F148-A192 HydrophobicContact CE2-CB 3.62Å; F148-A192 HydrophobicContact CG-CB 4.12Å; F148-A192 HydrophobicContact CZ-CB 3.77Å; F148-A212 HydrophobicContact CE2-CB 3.66Å; F148-A212 HydrophobicContact CZ-CB 3.8Å
149	Y	98.8	Very high	98.8	Very high	121 Å²	121	49.3 Å²	49.3	48%	0.475	25%	0.25	S	S	.	.	H	α-helix	trans	-71.8	-35	176.8	-62.7	-46.4	0	0	0	113	M145 S146 N147 Q151 Y152 K153	M145-Y149 HydrophobicContact CB-CD2 3.86Å; M145-Y149 HydrophobicContact CB-CE2 3.33Å; M145-Y149 HydrophobicContact CG-CE2 4.36Å; M145-Y149 WeakPolarHBondContact O-CD2 3.41Å; M145-Y149 PolarHBondContact O-N 2.84Å; S146-Y149 PolarHBondContact O-N 3.07Å; N147-Y149 VanDerWaalsContact C-N 3.31Å; N147-Y149 PolarHBondContact O-N 2.84Å; Y149-Q151 VanDerWaalsContact C-N 3.35Å; Y149-Y152 PolarHBondContact O-N 3.28Å; Y149-K153 PolarHBondContact O-N 3Å
150	A	98.9	Very high	98.8	Very high	57 Å²	57	48.7 Å²	48.7	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-42.7	174.8	0	0	0	0	0	111.6	S146 N147 K153 S154	S146-A150 PolarHBondContact O-N 3.35Å; N147-A150 PolarHBondContact O-N 3.22Å; A150-K153 WeakPolarHBondContact O-CB 3.48Å; A150-K153 PolarHBondContact O-N 2.74Å; A150-S154 PolarHBondContact O-N 3.44Å
151	Q	98.9	Very high	98.7	Very high	11 Å²	11	51 Å²	51	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-39.1	173.9	-70.4	-179.3	-10.3	0	0	112.6	N147 Y149 K153 S154 Y201 G205 Y208 L209 V213	N147-Q151 WeakPolarHBondContact O-CG 3.4Å; N147-Q151 PolarHBondContact O-N 3.17Å; Y149-Q151 VanDerWaalsContact C-N 3.35Å; Q151-K153 VanDerWaalsContact C-N 3.29Å; Q151-K153 PolarHBondContact O-N 3.12Å; Q151-S154 PolarHBondContact O-N 3.25Å; Q151-S154 PolarHBondContact O-OG 3.28Å; Q151-Y201 PolarHBondContact OE1-OH 2.87Å; Q151-G205 PolarHBondContact NE2-O 3.42Å; Q151-Y208 PolarHBondContact NE2-O 2.9Å; Q151-L209 HydrophobicContact CB-CD2 4.15Å; Q151-L209 HydrophobicContact CG-CD2 4.11Å; Q151-L209 PolarHBondContact OE1-O 3.3Å; Q151-V213 HydrophobicContact CB-CG2 4.05Å; Q151-V213 WeakPolarHBondContact O-CG1 3.44Å
152	Y	98.9	Very high	98.5	Very high	54 Å²	54	57.4 Å²	57.4	21%	0.212	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-39.2	172.9	177.9	-113.3	0	0	0	111.9	F148 Y149 I155 P157 L190 Q216	F148-Y152 PolarHBondContact O-N 2.87Å; F148-Y152 VanDerWaalsContact O-N 3.09Å; Y149-Y152 PolarHBondContact O-N 3.28Å; Y152-I155 HydrophobicContact CD2-CD1 4.26Å; Y152-I155 HydrophobicContact CE2-CD1 4.45Å; Y152-I155 WeakPolarHBondContact O-CG1 3.44Å; Y152-P157 HydrophobicContact CD1-CG 4.04Å; Y152-P157 HydrophobicContact CD2-CB 4.3Å; Y152-P157 HydrophobicContact CD2-CG 4.31Å; Y152-P157 HydrophobicContact CE1-CB 4.09Å; Y152-P157 HydrophobicContact CE1-CG 3.56Å; Y152-P157 HydrophobicContact CE2-CB 3.55Å; Y152-P157 HydrophobicContact CE2-CG 3.86Å; Y152-P157 HydrophobicContact CG-CG 4.4Å; Y152-P157 VanDerWaalsContact CZ-CB 3.44Å; Y152-P157 VanDerWaalsContact CZ-CG 3.47Å; Y152-P157 WeakPolarHBondContact O-CD 3.24Å; Y152-P157 WeakPolarHBondContact O-CG 3.39Å; Y152-P157 WeakPolarHBondContact OH-CB 3.19Å; Y152-L190 HydrophobicContact CD1-CD1 4.02Å; Y152-L190 HydrophobicContact CD2-CD1 4.48Å; Y152-L190 HydrophobicContact CD2-CD2 3.96Å; Y152-L190 HydrophobicContact CE1-CD1 3.7Å; Y152-L190 HydrophobicContact CE2-CD1 4.2Å; Y152-L190 HydrophobicContact CE2-CD2 3.97Å; Y152-L190 HydrophobicContact CG-CD1 4.39Å; Y152-L190 HydrophobicContact CG-CD2 4.39Å; Y152-Q216 HydrophobicContact CD2-CB 4.31Å; Y152-Q216 HydrophobicContact CD2-CG 4.37Å; Y152-Q216 HydrophobicContact CE2-CB 3.89Å; Y152-Q216 HydrophobicContact CE2-CG 3.83Å
153	K	98.8	Very high	98.3	Very high	165 Å²	165	60.9 Å²	60.9	72%	0.717	30%	0.3	S	S	*	.	H	α-helix	trans	-65.5	-37	175.8	-175	180	177.4	-177.7	0	112.3	Y149 A150 Q151 I155 E156	Y149-K153 PolarHBondContact O-N 3Å; A150-K153 WeakPolarHBondContact O-CB 3.48Å; A150-K153 PolarHBondContact O-N 2.74Å; Q151-K153 VanDerWaalsContact C-N 3.29Å; Q151-K153 PolarHBondContact O-N 3.12Å; K153-I155 PolarHBondContact O-N 3.09Å; K153-E156 PolarHBondContact O-N 3.37Å
154	S	98.7	Very high	97.9	Very high	63 Å²	63	65.8 Å²	65.8	44%	0.441	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-24.5	-173.9	73.5	0	0	0	0	114.2	A150 Q151 E156	A150-S154 PolarHBondContact O-N 3.44Å; Q151-S154 PolarHBondContact O-N 3.25Å; Q151-S154 PolarHBondContact O-OG 3.28Å; S154-E156 PolarHBondContact O-N 2.92Å
155	I	98.7	Very high	97.6	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.067	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1.6	175.2	62.2	154.9	0	0	0	113.9	Y152 K153 P157 L209 V213 Q216 A217 R232	Y152-I155 HydrophobicContact CD2-CD1 4.26Å; Y152-I155 HydrophobicContact CE2-CD1 4.45Å; Y152-I155 WeakPolarHBondContact O-CG1 3.44Å; K153-I155 PolarHBondContact O-N 3.09Å; I155-P157 HydrophobicContact CD1-CB 4.23Å; I155-P157 HydrophobicContact CG1-CB 4.29Å; I155-L209 HydrophobicContact CG2-CD1 4.09Å; I155-V213 HydrophobicContact CB-CG1 4.45Å; I155-V213 HydrophobicContact CD1-CG1 4.02Å; I155-V213 HydrophobicContact CG1-CG1 4.07Å; I155-V213 HydrophobicContact CG2-CG1 3.55Å; I155-Q216 HydrophobicContact CD1-CB 3.77Å; I155-A217 HydrophobicContact CB-CB 4.36Å; I155-A217 HydrophobicContact CD1-CB 4.07Å; I155-A217 HydrophobicContact CG2-CB 4.2Å; I155-R232 PolarHBondContact O-NH1 3.22Å; I155-R232 VanDerWaalsContact O-NH1 3.08Å
156	E	98.8	Very high	97.3	Very high	49 Å²	49	71.7 Å²	71.7	23%	0.229	36%	0.356	C	S	.	.			trans	51.2	68.2	-177.5	-69.5	169.6	-165.9	0	0	112	K153 S154 Y158 K160 R232 K235	K153-E156 PolarHBondContact O-N 3.37Å; S154-E156 PolarHBondContact O-N 2.92Å; E156-Y158 HydrophobicContact CB-CD1 4.25Å; E156-Y158 HydrophobicContact CB-CE1 3.55Å; E156-Y158 HydrophobicContact CG-CE1 3.92Å; E156-Y158 PolarHBondContact O-N 3.17Å; E156-K160 IonicContact OE2-NZ 3.67Å; E156-K160 PolarHBondContact OE2-NZ 3.06Å; E156-R232 PolarHBondContact O-NH1 2.9Å; E156-K235 IonicContact OE1-NZ 3.56Å; E156-K235 PolarHBondContact OE1-NZ 3.47Å; E156-K235 IonicContact OE2-NZ 3.29Å; E156-K235 PolarHBondContact OE2-NZ 3.18Å; E156-K235 VanDerWaalsContact OE2-NZ 3.11Å
157	P	98.7	Very high	97.2	Very high	26 Å²	26	75.4 Å²	75.4	17%	0.169	37%	0.367	C	S	.	.			trans	-82.1	57.4	-167.6	36.1	-38.1	0	0	0	112.3	Y152 I155 W220	Y152-P157 HydrophobicContact CD1-CG 4.04Å; Y152-P157 HydrophobicContact CD2-CB 4.3Å; Y152-P157 HydrophobicContact CD2-CG 4.31Å; Y152-P157 HydrophobicContact CE1-CB 4.09Å; Y152-P157 HydrophobicContact CE1-CG 3.56Å; Y152-P157 HydrophobicContact CE2-CB 3.55Å; Y152-P157 HydrophobicContact CE2-CG 3.86Å; Y152-P157 HydrophobicContact CG-CG 4.4Å; Y152-P157 VanDerWaalsContact CZ-CB 3.44Å; Y152-P157 VanDerWaalsContact CZ-CG 3.47Å; Y152-P157 WeakPolarHBondContact O-CD 3.24Å; Y152-P157 WeakPolarHBondContact O-CG 3.39Å; Y152-P157 WeakPolarHBondContact OH-CB 3.19Å; I155-P157 HydrophobicContact CD1-CB 4.23Å; I155-P157 HydrophobicContact CG1-CB 4.29Å; P157-W220 WeakPolarHBondContact O-CZ2 3.27Å
158	Y	98.8	Very high	97.1	Very high	125 Å²	125	76 Å²	76	49%	0.49	39%	0.388	S	S	.	.	S	Bend	trans	-144.9	161.5	177.9	54.9	-92.7	0	0	0	109.6	E156 K160 W220 R232	E156-Y158 HydrophobicContact CB-CD1 4.25Å; E156-Y158 HydrophobicContact CB-CE1 3.55Å; E156-Y158 HydrophobicContact CG-CE1 3.92Å; E156-Y158 PolarHBondContact O-N 3.17Å; Y158-K160 HydrophobicContact CD2-CG 3.9Å; Y158-K160 HydrophobicContact CE2-CD 4Å; Y158-K160 HydrophobicContact CE2-CG 3.64Å; Y158-W220 VanDerWaalsContact C-CH2 3.44Å; Y158-W220 VanDerWaalsContact C-CZ3 3.42Å; Y158-W220 VanDerWaalsContact CA-CZ2 3.43Å; Y158-R232 PolarHBondContact O-NH2 3.08Å
159	L	98.6	Very high	97	Very high	55 Å²	55	83 Å²	83	29%	0.288	42%	0.419	S	S	.	.			trans	-68.3	132.4	-178.2	-177.6	64.2	0	0	0	110.1	Y172 W220 R225 D226	L159-Y172 HydrophobicContact CD2-CD2 3.77Å; L159-Y172 HydrophobicContact CD2-CE2 3.67Å; L159-W220 HydrophobicContact CB-CH2 4.3Å; L159-W220 HydrophobicContact CB-CZ3 3.76Å; L159-W220 HydrophobicContact CD1-CZ3 4.28Å; L159-W220 VanDerWaalsContact N-CH2 3.3Å; L159-R225 HydrophobicContact CD1-CB 3.84Å; L159-R225 HydrophobicContact CD2-CB 4.48Å; L159-D226 HydrophobicContact CD1-CB 4.02Å
160	K	98.3	Very high	96.9	Very high	38 Å²	38	85.3 Å²	85.3	17%	0.165	43%	0.434	C	S	.	.			trans	-123.5	126.3	175.4	-61.8	179.4	68.6	179.2	0	110.8	E156 Y158 D226 E227 F228	E156-K160 IonicContact OE2-NZ 3.67Å; E156-K160 PolarHBondContact OE2-NZ 3.06Å; Y158-K160 HydrophobicContact CD2-CG 3.9Å; Y158-K160 HydrophobicContact CE2-CD 4Å; Y158-K160 HydrophobicContact CE2-CG 3.64Å; K160-D226 PolarHBondContact N-OD2 2.83Å; K160-E227 PolarHBondContact O-N 2.76Å; K160-F228 HydrophobicContact CB-CB 4.2Å; K160-F228 HydrophobicContact CB-CD2 3.28Å; K160-F228 HydrophobicContact CB-CE2 3.71Å; K160-F228 HydrophobicContact CB-CG 3.82Å; K160-F228 HydrophobicContact CD-CB 4.36Å; K160-F228 HydrophobicContact CD-CD1 4.43Å; K160-F228 HydrophobicContact CD-CD2 4.42Å; K160-F228 HydrophobicContact CD-CG 4.16Å; K160-F228 HydrophobicContact CG-CD2 4.45Å
161	K	96.9	Very high	96.8	Very high	53 Å²	53	91.3 Å²	91.3	23%	0.23	45%	0.452	C	S	.	.			trans	-118.3	151.9	170.1	-61.9	-168.9	70.1	67.9	0	109.3	D163 Y172 E227	K161-D163 VanDerWaalsContact C-N 3.33Å; K161-Y172 HydrophobicContact CD-CD1 4.46Å; K161-Y172 HydrophobicContact CD-CD2 4.23Å; K161-Y172 HydrophobicContact CD-CE1 3.85Å; K161-Y172 HydrophobicContact CD-CE2 3.59Å; K161-Y172 WeakPolarHBondContact CD-OH 3.49Å; K161-E227 WeakPolarHBondContact CA-OE2 3.47Å; K161-E227 WeakPolarHBondContact CE-OE1 3.4Å; K161-E227 IonicContact NZ-OE1 2.9Å; K161-E227 PolarHBondContact NZ-OE1 2.72Å
162	R	95.8	Very high	96.8	Very high	138 Å²	138	94.5 Å²	94.5	52%	0.521	46%	0.464	S	S	.	.	S	Bend	trans	-70.5	-33.7	177.9	-61	-64.9	174	168	2.2	111.8	E227 F228 E231	R162-E227 HydrophobicContact CG-CB 4.08Å; R162-E227 WeakPolarHBondContact CG-OE2 3.42Å; R162-E227 PolarHBondContact N-OE2 2.95Å; R162-E227 PolarHBondContact NE-O 2.78Å; R162-E227 VanDerWaalsContact NE-O 3.15Å; R162-E227 PolarHBondContact NH2-O 2.83Å; R162-F228 HydrophobicContact CG-CE2 4.41Å; R162-E231 IonicContact CZ-OE1 3.46Å; R162-E231 IonicContact CZ-OE2 3.63Å; R162-E231 IonicContact NH1-OE1 2.72Å; R162-E231 PolarHBondContact NH1-OE1 3.27Å; R162-E231 IonicContact NH2-OE1 2.72Å; R162-E231 PolarHBondContact NH2-OE1 3.01Å; R162-E231 IonicContact NH2-OE2 3.67Å; R162-E231 PolarHBondContact NH2-OE2 3.48Å
163	D	94.1	Very high	96.7	Very high	85 Å²	85	99.9 Å²	99.9	46%	0.455	50%	0.496	S	S	.	.			trans	-118.6	112.6	172.4	177.6	14.3	0	0	0	109	K161 S165	K161-D163 VanDerWaalsContact C-N 3.33Å; D163-S165 WeakPolarHBondContact OD1-CB 3.45Å; D163-S165 PolarHBondContact OD1-N 3.37Å; D163-S165 PolarHBondContact OD1-OG 2.99Å; D163-S165 PolarHBondContact OD2-OG 3.06Å
164	D	91.5	Very high	96.7	Very high	110 Å²	110	94.4 Å²	94.4	59%	0.588	47%	0.473	S	S	*	.			trans	-101.7	1.8	177.6	61.1	-2.2	0	0	0	112.7	K166 E167	D164-K166 PolarHBondContact O-N 3.02Å; D164-E167 VanDerWaalsContact O-CB 3.31Å; D164-E167 WeakPolarHBondContact O-CB 3.41Å; D164-E167 PolarHBondContact O-N 3.46Å
165	S	92.6	Very high	96.7	Very high	69 Å²	69	93.7 Å²	93.7	48%	0.483	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.5	-178.7	71	0	0	0	0	114.6	D163 K169	D163-S165 WeakPolarHBondContact OD1-CB 3.45Å; D163-S165 PolarHBondContact OD1-N 3.37Å; D163-S165 PolarHBondContact OD1-OG 2.99Å; D163-S165 PolarHBondContact OD2-OG 3.06Å; S165-K169 PolarHBondContact O-NZ 3.28Å
166	K	92.2	Very high	96.7	Very high	137 Å²	137	98.3 Å²	98.3	60%	0.596	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	5	177.5	-60.5	-171.8	-178.5	-177.8	0	113.9	D164 G168 K169	D164-K166 PolarHBondContact O-N 3.02Å; K166-G168 PolarHBondContact O-N 3.48Å; K166-K169 HydrophobicContact CB-CD 4.46Å; K166-K169 WeakPolarHBondContact O-CB 3.24Å; K166-K169 PolarHBondContact O-N 3.49Å
167	E	95	Very high	96.7	Very high	145 Å²	145	101.9 Å²	101.9	68%	0.678	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	135.7	175.6	-171.5	173.8	-171	0	0	110.9	D164 K169	D164-E167 VanDerWaalsContact O-CB 3.31Å; D164-E167 WeakPolarHBondContact O-CB 3.41Å; D164-E167 PolarHBondContact O-N 3.46Å; E167-K169 PolarHBondContact O-N 3.05Å
168	G	96.4	Very high	96.7	Very high	80 Å²	80	102.7 Å²	102.7	83%	0.825	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-5.7	179.1	0	0	0	0	0	116.3	K166	K166-G168 PolarHBondContact O-N 3.48Å
169	K	96.9	Very high	96.7	Very high	150 Å²	150	100.9 Å²	100.9	65%	0.652	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-44.7	179.2	-65.6	-175.4	180	155.1	0	112.7	S165 K166 E167	S165-K169 PolarHBondContact O-NZ 3.28Å; K166-K169 HydrophobicContact CB-CD 4.46Å; K166-K169 WeakPolarHBondContact O-CB 3.24Å; K166-K169 PolarHBondContact O-N 3.49Å; E167-K169 PolarHBondContact O-N 3.05Å
170	E	97	Very high	96.7	Very high	169 Å²	169	104.2 Å²	104.2	79%	0.79	52%	0.523	S	S	*	.	S	Bend	trans	-145.8	166.2	-178.3	-65.1	-176.5	154.6	0	0	110.7
171	Q	97.6	Very high	96.8	Very high	182 Å²	182	107.8 Å²	107.8	85%	0.85	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-72.5	135	173.1	-64.7	168.3	75.9	0	0	110	L173	Q171-L173 PolarHBondContact O-N 3.36Å
172	Y	97.8	Very high	96.9	Very high	79 Å²	79	105.4 Å²	105.4	31%	0.31	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-70.5	126.6	168.3	-60.9	-38	0	0	0	110.4	L159 K161	L159-Y172 HydrophobicContact CD2-CD2 3.77Å; L159-Y172 HydrophobicContact CD2-CE2 3.67Å; K161-Y172 HydrophobicContact CD-CD1 4.46Å; K161-Y172 HydrophobicContact CD-CD2 4.23Å; K161-Y172 HydrophobicContact CD-CE1 3.85Å; K161-Y172 HydrophobicContact CD-CE2 3.59Å; K161-Y172 WeakPolarHBondContact CD-OH 3.49Å
173	L	98.1	Very high	97	Very high	167 Å²	167	102.6 Å²	102.6	87%	0.874	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-69.5	136.3	176.9	-58.6	179.9	0	0	0	110.4	Q171	Q171-L173 PolarHBondContact O-N 3.36Å
174	Q	98.8	Very high	97.2	Very high	50 Å²	50	99.9 Å²	99.9	23%	0.234	52%	0.515	C	S	.	.			trans	-146.4	131.1	174.9	176	166.1	75.8	0	0	107.8	D178 R179 D223 S224 R225	Q174-D178 HydrophobicContact CG-CB 3.92Å; Q174-R179 HydrophobicContact CG-CB 4.15Å; Q174-D223 PolarHBondContact NE2-OD1 3.03Å; Q174-S224 PolarHBondContact NE2-OG 2.95Å; Q174-R225 HydrophobicContact CB-CG 4.39Å
175	S	98.8	Very high	97.6	Very high	48 Å²	48	95.3 Å²	95.3	34%	0.336	49%	0.49	S	S	.	.			trans	-71.5	161.1	177.3	87.3	0	0	0	0	111.2	E177 D178 R179	S175-E177 WeakPolarHBondContact CB-OE2 3.42Å; S175-E177 PolarHBondContact O-N 3.4Å; S175-E177 PolarHBondContact OG-N 2.97Å; S175-E177 PolarHBondContact OG-OE2 3.37Å; S175-D178 PolarHBondContact O-N 3.37Å; S175-D178 PolarHBondContact OG-N 3.03Å; S175-D178 VanDerWaalsContact OG-N 3.16Å; S175-R179 WeakPolarHBondContact O-CB 3.34Å; S175-R179 PolarHBondContact O-N 3Å
176	V	98.8	Very high	97.9	Very high	110 Å²	110	97.3 Å²	97.3	67%	0.667	49%	0.488	S	S	*	.	H	α-helix	trans	-60.3	-40	176.5	175.8	0	0	0	0	110.4	R179 Q180	V176-R179 PolarHBondContact O-N 3.4Å; V176-Q180 WeakPolarHBondContact O-CB 3.37Å; V176-Q180 PolarHBondContact O-N 3.23Å
177	E	98.8	Very high	98.2	Very high	124 Å²	124	93.5 Å²	93.5	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-65.6	-40.8	-179.7	-56.3	71	-151.3	0	0	111.6	S175	S175-E177 WeakPolarHBondContact CB-OE2 3.42Å; S175-E177 PolarHBondContact O-N 3.4Å; S175-E177 PolarHBondContact OG-N 2.97Å; S175-E177 PolarHBondContact OG-OE2 3.37Å
178	D	98.8	Very high	98.4	Very high	42 Å²	42	87.9 Å²	87.9	23%	0.225	45%	0.449	C	S	.	.	H	α-helix	trans	-68.6	-42.7	175.3	-83.7	-19.3	0	0	0	111.9	Q174 S175 Q180 K181 S224	Q174-D178 HydrophobicContact CG-CB 3.92Å; S175-D178 PolarHBondContact O-N 3.37Å; S175-D178 PolarHBondContact OG-N 3.03Å; S175-D178 VanDerWaalsContact OG-N 3.16Å; D178-Q180 VanDerWaalsContact C-N 3.29Å; D178-Q180 PolarHBondContact O-N 3.07Å; D178-K181 WeakPolarHBondContact O-CB 3.32Å; D178-K181 PolarHBondContact O-N 3.1Å; D178-K181 IonicContact OD1-NZ 2.67Å; D178-K181 PolarHBondContact OD1-NZ 3.44Å; D178-S224 WeakPolarHBondContact CB-OG 3.22Å; D178-S224 WeakPolarHBondContact OD2-CB 3.28Å; D178-S224 PolarHBondContact OD2-OG 3.08Å; D178-S224 VanDerWaalsContact OD2-OG 3.12Å
179	R	98.8	Very high	98.5	Very high	87 Å²	87	85.2 Å²	85.2	33%	0.328	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-41.3	176.6	172.1	56.4	-171.1	73.5	6.7	111.2	Q174 S175 V176 K181 L182 D183 Y186	Q174-R179 HydrophobicContact CG-CB 4.15Å; S175-R179 WeakPolarHBondContact O-CB 3.34Å; S175-R179 PolarHBondContact O-N 3Å; V176-R179 PolarHBondContact O-N 3.4Å; R179-K181 PolarHBondContact O-N 2.97Å; R179-L182 WeakPolarHBondContact O-CB 3.46Å; R179-L182 PolarHBondContact O-N 2.85Å; R179-D183 IonicContact CZ-OD1 3.62Å; R179-D183 IonicContact NH1-OD1 2.69Å; R179-D183 PolarHBondContact NH1-OD1 3.44Å; R179-D183 IonicContact NH2-OD1 3.66Å; R179-Y186 PolarHBondContact NH2-OH 3.42Å
180	Q	98.7	Very high	98.6	Very high	126 Å²	126	80 Å²	80	59%	0.589	40%	0.395	S	S	*	.	H	α-helix	trans	-61.3	-26.6	-179.1	-169.4	176	5.1	0	0	112.5	V176 D178 L182 D183	V176-Q180 WeakPolarHBondContact O-CB 3.37Å; V176-Q180 PolarHBondContact O-N 3.23Å; D178-Q180 VanDerWaalsContact C-N 3.29Å; D178-Q180 PolarHBondContact O-N 3.07Å; Q180-L182 PolarHBondContact O-N 2.87Å; Q180-L182 VanDerWaalsContact O-N 3.13Å; Q180-D183 WeakPolarHBondContact O-CB 3.35Å; Q180-D183 PolarHBondContact O-N 3.34Å; Q180-D183 VanDerWaalsContact O-N 3.08Å
181	K	98.8	Very high	98.7	Very high	113 Å²	113	72.6 Å²	72.6	49%	0.491	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.2	174.7	-62.5	169.1	-173.8	167.2	0	113.2	D178 R179 I222	D178-K181 WeakPolarHBondContact O-CB 3.32Å; D178-K181 PolarHBondContact O-N 3.1Å; D178-K181 IonicContact OD1-NZ 2.67Å; D178-K181 PolarHBondContact OD1-NZ 3.44Å; R179-K181 PolarHBondContact O-N 2.97Å; K181-I222 HydrophobicContact CB-CD1 4.14Å; K181-I222 WeakPolarHBondContact O-CD1 3.47Å
182	L	98.9	Very high	98.7	Very high	3 Å²	3	64 Å²	64	2%	0.016	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.6	178.7	-54.3	-177.2	0	0	0	113.1	R179 Q180 L185 Y186 I222 D223	R179-L182 WeakPolarHBondContact O-CB 3.46Å; R179-L182 PolarHBondContact O-N 2.85Å; Q180-L182 PolarHBondContact O-N 2.87Å; Q180-L182 VanDerWaalsContact O-N 3.13Å; L182-L185 WeakPolarHBondContact O-CB 3.5Å; L182-L185 PolarHBondContact O-N 3.37Å; L182-Y186 HydrophobicContact CB-CD1 4.24Å; L182-Y186 VanDerWaalsContact O-CD1 3.3Å; L182-Y186 WeakPolarHBondContact O-CD1 3.39Å; L182-Y186 PolarHBondContact O-N 3.37Å; L182-I222 HydrophobicContact CD2-CG1 4.19Å; L182-D223 HydrophobicContact CD2-CB 4.14Å
183	D	98.8	Very high	98.8	Very high	79 Å²	79	60.2 Å²	60.2	42%	0.422	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	135.5	178.1	-64.6	-12.5	0	0	0	110.4	R179 Q180 L185 Y186	R179-D183 IonicContact CZ-OD1 3.62Å; R179-D183 IonicContact NH1-OD1 2.69Å; R179-D183 PolarHBondContact NH1-OD1 3.44Å; R179-D183 IonicContact NH2-OD1 3.66Å; Q180-D183 WeakPolarHBondContact O-CB 3.35Å; Q180-D183 PolarHBondContact O-N 3.34Å; Q180-D183 VanDerWaalsContact O-N 3.08Å; D183-L185 VanDerWaalsContact C-N 3.31Å; D183-Y186 WeakPolarHBondContact OD1-CE1 3.17Å
184	G	98.6	Very high	98.8	Very high	28 Å²	28	52.8 Å²	52.8	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	2.8	-170.9	0	0	0	0	0	114.7	E187	G184-E187 VanDerWaalsContact C-OE2 3.28Å; G184-E187 VanDerWaalsContact CA-OE2 3.26Å; G184-E187 WeakPolarHBondContact CA-OE2 3.38Å; G184-E187 VanDerWaalsContact N-CD 3.28Å; G184-E187 PolarHBondContact N-OE1 3.33Å; G184-E187 PolarHBondContact N-OE2 2.71Å
185	L	98.8	Very high	98.8	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.068	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-51.2	176.6	-53.4	177.7	0	0	0	112.7	L182 D183 E187 C188 M215 Q216 Y218 R219 I222 A264	L182-L185 WeakPolarHBondContact O-CB 3.5Å; L182-L185 PolarHBondContact O-N 3.37Å; D183-L185 VanDerWaalsContact C-N 3.31Å; L185-E187 VanDerWaalsContact C-N 3.26Å; L185-E187 PolarHBondContact N-OE2 3.23Å; L185-E187 PolarHBondContact O-N 3.03Å; L185-C188 PolarHBondContact O-N 2.88Å; L185-M215 HydrophobicContact CD2-CG 3.66Å; L185-M215 HydrophobicContact CD2-SD 4.31Å; L185-Q216 PolarHBondContact O-NE2 3.36Å; L185-Y218 HydrophobicContact CD1-CD1 3.73Å; L185-Y218 HydrophobicContact CD1-CE1 3.99Å; L185-Y218 HydrophobicContact CD2-CD1 3.97Å; L185-Y218 HydrophobicContact CD2-CE1 4.47Å; L185-R219 HydrophobicContact CB-CB 3.95Å; L185-R219 HydrophobicContact CB-CG 4.06Å; L185-R219 HydrophobicContact CD1-CB 4.24Å; L185-I222 HydrophobicContact CD1-CD1 3.57Å; L185-I222 HydrophobicContact CD1-CG1 4.26Å; L185-A264 HydrophobicContact CD2-CB 4.16Å
186	Y	98.7	Very high	98.8	Very high	111 Å²	111	48.1 Å²	48.1	44%	0.435	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.5	-173.4	78.2	-95.5	0	0	0	113.5	R179 L182 D183 C188	R179-Y186 PolarHBondContact NH2-OH 3.42Å; L182-Y186 HydrophobicContact CB-CD1 4.24Å; L182-Y186 VanDerWaalsContact O-CD1 3.3Å; L182-Y186 WeakPolarHBondContact O-CD1 3.39Å; L182-Y186 PolarHBondContact O-N 3.37Å; D183-Y186 WeakPolarHBondContact OD1-CE1 3.17Å; Y186-C188 PolarHBondContact O-N 3.2Å
187	E	98.9	Very high	98.8	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.271	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	0.8	179.2	-52.5	91.2	145.5	0	0	112.6	G184 L185 I189 L259	G184-E187 VanDerWaalsContact C-OE2 3.28Å; G184-E187 VanDerWaalsContact CA-OE2 3.26Å; G184-E187 WeakPolarHBondContact CA-OE2 3.38Å; G184-E187 VanDerWaalsContact N-CD 3.28Å; G184-E187 PolarHBondContact N-OE1 3.33Å; G184-E187 PolarHBondContact N-OE2 2.71Å; L185-E187 VanDerWaalsContact C-N 3.26Å; L185-E187 PolarHBondContact N-OE2 3.23Å; L185-E187 PolarHBondContact O-N 3.03Å; E187-I189 PolarHBondContact O-N 3.47Å; E187-L259 HydrophobicContact CB-CD1 4.45Å; E187-L259 HydrophobicContact CB-CD2 4.1Å
188	C	98.9	Very high	98.8	Very high	26 Å²	26	38 Å²	38	18%	0.176	19%	0.189	C	C	.	.			trans	-62.8	123.5	175	-169.9	0	0	0	0	111	L185 Y186 M215 L259	L185-C188 PolarHBondContact O-N 2.88Å; Y186-C188 PolarHBondContact O-N 3.2Å; C188-M215 HydrophobicContact CB-CE 3.74Å; C188-L259 HydrophobicContact CB-CD1 4.03Å
189	I	98.9	Very high	98.8	Very high	24 Å²	24	37.2 Å²	37.2	12%	0.123	19%	0.186	C	C	.	.			trans	-96.7	13.8	-178.3	64.6	172.3	0	0	0	113.5	I99 L113 E187 C191 K257	I99-I189 HydrophobicContact CD1-CG2 4.23Å; I99-I189 WeakPolarHBondContact O-CB 3.3Å; I99-I189 WeakPolarHBondContact O-CG2 3.17Å; L113-I189 HydrophobicContact CD1-CD1 3.68Å; L113-I189 HydrophobicContact CD2-CD1 4.46Å; E187-I189 PolarHBondContact O-N 3.47Å; I189-C191 HydrophobicContact CD1-CB 4.06Å; I189-C191 HydrophobicContact CG1-CB 3.92Å; I189-C191 PolarHBondContact O-N 3.19Å; I189-K257 HydrophobicContact CD1-CD 4.24Å; I189-K257 HydrophobicContact CD1-CG 4.15Å; I189-K257 HydrophobicContact CG1-CG 4.24Å; I189-K257 HydrophobicContact CG2-CD 4.33Å; I189-K257 HydrophobicContact CG2-CG 4.29Å
190	L	98.9	Very high	98.8	Very high	42 Å²	42	33.5 Å²	33.5	22%	0.22	17%	0.174	C	C	.	.			trans	49.9	35.9	-180	-60.8	176.9	0	0	0	115.2	F148 Y152 A192 Q216	F148-L190 HydrophobicContact CE1-CB 4.33Å; F148-L190 WeakPolarHBondContact CE1-O 3.48Å; Y152-L190 HydrophobicContact CD1-CD1 4.02Å; Y152-L190 HydrophobicContact CD2-CD1 4.48Å; Y152-L190 HydrophobicContact CD2-CD2 3.96Å; Y152-L190 HydrophobicContact CE1-CD1 3.7Å; Y152-L190 HydrophobicContact CE2-CD1 4.2Å; Y152-L190 HydrophobicContact CE2-CD2 3.97Å; Y152-L190 HydrophobicContact CG-CD1 4.39Å; Y152-L190 HydrophobicContact CG-CD2 4.39Å; L190-A192 VanDerWaalsContact C-N 3.3Å; L190-A192 PolarHBondContact O-N 3.13Å; L190-Q216 HydrophobicContact CD2-CG 4.27Å
191	C	98.9	Very high	98.8	Very high	13 Å²	13	28.1 Å²	28.1	9%	0.088	15%	0.148	C	C	.	.			trans	-78	-6.4	-178	67.3	0	0	0	0	115.5	A104 L113 I189 C193	A104-C191 HydrophobicContact CB-CB 4.1Å; A104-C191 WeakPolarHBondContact CB-O 3.27Å; L113-C191 HydrophobicContact CD2-CB 3.99Å; I189-C191 HydrophobicContact CD1-CB 4.06Å; I189-C191 HydrophobicContact CG1-CB 3.92Å; I189-C191 PolarHBondContact O-N 3.19Å; C191-C193 PolarHBondContact O-N 3.11Å
192	A	98.9	Very high	98.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.138	C	C	.	.			trans	58.1	4.2	-176.2	0	0	0	0	0	117.8	L132 M145 F148 L190 C194 S195 T196	L132-A192 HydrophobicContact CD1-CB 4.2Å; M145-A192 HydrophobicContact CE-CB 3.55Å; M145-A192 HydrophobicContact SD-CB 4.43Å; F148-A192 HydrophobicContact CD1-CB 4.24Å; F148-A192 HydrophobicContact CD2-CB 3.82Å; F148-A192 HydrophobicContact CE1-CB 4.07Å; F148-A192 HydrophobicContact CE2-CB 3.62Å; F148-A192 HydrophobicContact CG-CB 4.12Å; F148-A192 HydrophobicContact CZ-CB 3.77Å; L190-A192 VanDerWaalsContact C-N 3.3Å; L190-A192 PolarHBondContact O-N 3.13Å; A192-C194 PolarHBondContact O-N 3.01Å; A192-S195 PolarHBondContact O-N 2.88Å; A192-T196 HydrophobicContact CB-CG2 4.3Å; A192-T196 WeakPolarHBondContact O-CG2 3.37Å; A192-T196 PolarHBondContact O-N 3.36Å; A192-T196 PolarHBondContact O-OG1 3.47Å
193	C	98.9	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-42.8	176.5	-73.8	0	0	0	0	112.6	N111 C191 T196 S197 T254	N111-C193 HydrophobicContact CB-CB 3.94Å; N111-C193 PolarHBondContact ND2-O 3.17Å; C191-C193 PolarHBondContact O-N 3.11Å; C193-T196 PolarHBondContact O-OG1 3.26Å; C193-S197 WeakPolarHBondContact O-CB 3.48Å; C193-S197 PolarHBondContact O-N 3Å; C193-S197 PolarHBondContact O-OG 2.68Å; C193-T254 HydrophobicContact CB-CG2 4.22Å; C193-T254 WeakPolarHBondContact O-CG2 3.28Å
194	C	98.9	Very high	98.8	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.068	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-38.8	-178	55.8	0	0	0	0	113.6	A192 S197 P211 C251 T254 P261	A192-C194 PolarHBondContact O-N 3.01Å; C194-S197 PolarHBondContact O-OG 3.48Å; C194-P211 VanDerWaalsContact C-CG 3.47Å; C194-P211 HydrophobicContact CB-CB 4.46Å; C194-P211 HydrophobicContact CB-CG 4.07Å; C194-P211 VanDerWaalsContact O-CG 3.28Å; C194-P211 WeakPolarHBondContact O-CG 3.38Å; C194-C251 HydrophobicContact CB-CB 3.88Å; C194-C251 WeakPolarHBondContact CB-O 3.4Å; C194-T254 HydrophobicContact CB-CG2 4.41Å; C194-P261 HydrophobicContact CB-CG 4.36Å
195	S	98.9	Very high	98.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-44.8	178	-63.1	0	0	0	0	110.9	A192 S197 C198 Y201 P211 A212	A192-S195 PolarHBondContact O-N 2.88Å; S195-S197 PolarHBondContact O-N 2.86Å; S195-C198 WeakPolarHBondContact O-CB 3.42Å; S195-C198 PolarHBondContact O-N 3.11Å; S195-Y201 WeakPolarHBondContact O-CB 3.39Å; S195-Y201 WeakPolarHBondContact O-CD1 3.33Å; S195-P211 WeakPolarHBondContact OG-CD 3.34Å; S195-A212 PolarHBondContact OG-N 3.47Å
196	T	98.9	Very high	98.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	1.4	179.6	60.1	0	0	0	0	113.7	N111 L132 P133 M135 A192 C193 W202	N111-T196 PolarHBondContact ND2-O 3.05Å; N111-T196 PolarHBondContact ND2-OG1 3.08Å; N111-T196 VanDerWaalsContact ND2-OG1 3.08Å; L132-T196 HydrophobicContact CB-CG2 3.95Å; L132-T196 HydrophobicContact CD1-CG2 4.11Å; P133-T196 WeakPolarHBondContact CD-O 3.04Å; M135-T196 HydrophobicContact CE-CG2 4.31Å; M135-T196 HydrophobicContact CG-CG2 3.81Å; M135-T196 HydrophobicContact SD-CG2 3.68Å; A192-T196 HydrophobicContact CB-CG2 4.3Å; A192-T196 WeakPolarHBondContact O-CG2 3.37Å; A192-T196 PolarHBondContact O-N 3.36Å; A192-T196 PolarHBondContact O-OG1 3.47Å; C193-T196 PolarHBondContact O-OG1 3.26Å; T196-W202 PolarHBondContact O-NE1 3.33Å
197	S	98.9	Very high	98.7	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.07	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.9	166.7	73.9	0	0	0	0	113.4	N111 C193 C194 S195 P199 N250 T254	N111-S197 PolarHBondContact ND2-N 3.5Å; C193-S197 WeakPolarHBondContact O-CB 3.48Å; C193-S197 PolarHBondContact O-N 3Å; C193-S197 PolarHBondContact O-OG 2.68Å; C194-S197 PolarHBondContact O-OG 3.48Å; S195-S197 PolarHBondContact O-N 2.86Å; S197-P199 WeakPolarHBondContact O-CD 3.36Å; S197-N250 VanDerWaalsContact O-CB 3.24Å; S197-N250 WeakPolarHBondContact O-CB 3.37Å; S197-N250 PolarHBondContact O-ND2 3.27Å; S197-N250 PolarHBondContact OG-O 3.17Å; S197-T254 VanDerWaalsContact OG-CG2 3.27Å; S197-T254 WeakPolarHBondContact OG-CG2 3.35Å
198	C	98.9	Very high	98.7	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.074	17%	0.165	C	C	.	.			trans	-91.1	116.8	-175.2	-176.8	0	0	0	0	110.6	S195 S200 Y201 W202 P211	S195-C198 WeakPolarHBondContact O-CB 3.42Å; S195-C198 PolarHBondContact O-N 3.11Å; C198-S200 VanDerWaalsContact C-N 3.29Å; C198-S200 PolarHBondContact O-N 3.24Å; C198-Y201 WeakPolarHBondContact O-CA 3.43Å; C198-Y201 WeakPolarHBondContact O-CB 3.46Å; C198-Y201 PolarHBondContact O-N 3.3Å; C198-W202 PolarHBondContact O-N 2.81Å; C198-W202 VanDerWaalsContact O-N 3.09Å; C198-P211 HydrophobicContact CB-CG 4.42Å
199	P	98.8	Very high	98.7	Very high	26 Å²	26	33.2 Å²	33.2	17%	0.169	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-37.8	178.2	-27.5	36.7	0	0	0	113.6	S197 Y201 W202 W203 I248	S197-P199 WeakPolarHBondContact O-CD 3.36Å; P199-Y201 PolarHBondContact O-N 2.99Å; P199-W202 HydrophobicContact CB-CE3 4.08Å; P199-W202 HydrophobicContact CB-CZ3 4.4Å; P199-W202 HydrophobicContact CG-CE3 4.26Å; P199-W202 HydrophobicContact CG-CZ3 4.14Å; P199-W202 WeakPolarHBondContact O-CB 3.38Å; P199-W202 PolarHBondContact O-N 3.22Å; P199-W203 PolarHBondContact O-N 3.31Å; P199-I248 HydrophobicContact CB-CD1 4.04Å; P199-I248 HydrophobicContact CG-CD1 4Å; P199-I248 HydrophobicContact CG-CG2 4.32Å
200	S	98.7	Very high	98.7	Very high	9 Å²	9	32 Å²	32	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-33.6	175.2	-60.1	0	0	0	0	112.9	C198 N204 R244	C198-S200 VanDerWaalsContact C-N 3.29Å; C198-S200 PolarHBondContact O-N 3.24Å; S200-N204 PolarHBondContact O-N 3.43Å; S200-R244 WeakPolarHBondContact CB-O 3.39Å; S200-R244 PolarHBondContact OG-O 3.15Å
201	Y	98.9	Very high	98.7	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-79.5	-28.5	177	-166.9	-96.4	0	0	0	112.5	Q151 S195 C198 P199 G205 Y208	Q151-Y201 PolarHBondContact OE1-OH 2.87Å; S195-Y201 WeakPolarHBondContact O-CB 3.39Å; S195-Y201 WeakPolarHBondContact O-CD1 3.33Å; C198-Y201 WeakPolarHBondContact O-CA 3.43Å; C198-Y201 WeakPolarHBondContact O-CB 3.46Å; C198-Y201 PolarHBondContact O-N 3.3Å; P199-Y201 PolarHBondContact O-N 2.99Å; Y201-G205 WeakPolarHBondContact O-CA 3.03Å; Y201-G205 PolarHBondContact O-N 2.71Å; Y201-Y208 HydrophobicContact CD2-CD1 4.01Å; Y201-Y208 VanDerWaalsContact CD2-O 3.32Å; Y201-Y208 WeakPolarHBondContact CD2-O 3.42Å; Y201-Y208 VanDerWaalsContact CE2-O 3.3Å; Y201-Y208 WeakPolarHBondContact CE2-O 3.48Å
202	W	98.8	Very high	98.7	Very high	77 Å²	77	29.5 Å²	29.5	29%	0.292	14%	0.14	S	C	.	.	H	α-helix	trans	-61.8	-48.2	169.3	-57.2	-19.2	0	0	0	110.4	P133 H134 T196 C198 P199	P133-W202 HydrophobicContact CB-CZ2 4.1Å; H134-W202 HydrophobicContact CB-CB 3.96Å; H134-W202 HydrophobicContact CB-CG 3.78Å; H134-W202 PolarHBondContact CE1-O 3.4Å; H134-W202 PolarHBondContact ND1-O 3.08Å; H134-W202 PolarHBondContact NE2-O 3.32Å; T196-W202 PolarHBondContact O-NE1 3.33Å; C198-W202 PolarHBondContact O-N 2.81Å; C198-W202 VanDerWaalsContact O-N 3.09Å; P199-W202 HydrophobicContact CB-CE3 4.08Å; P199-W202 HydrophobicContact CB-CZ3 4.4Å; P199-W202 HydrophobicContact CG-CE3 4.26Å; P199-W202 HydrophobicContact CG-CZ3 4.14Å; P199-W202 WeakPolarHBondContact O-CB 3.38Å; P199-W202 PolarHBondContact O-N 3.22Å
203	W	98.6	Very high	98.7	Very high	194 Å²	194	29.4 Å²	29.4	74%	0.735	14%	0.139	S	C	*	.	H	α-helix	trans	-77.9	-30.2	-175	-59.8	120	0	0	0	114.8	P199	P199-W203 PolarHBondContact O-N 3.31Å
204	N	98.5	Very high	98.7	Very high	42 Å²	42	29.4 Å²	29.4	23%	0.225	14%	0.139	C	C	.	.	H	α-helix	trans	-135.7	31.2	-172.4	-58.1	-92.7	0	0	0	112.1	S200 D206 K207 Y208	S200-N204 PolarHBondContact O-N 3.43Å; N204-D206 WeakPolarHBondContact CA-OD1 3.39Å; N204-D206 PolarHBondContact O-N 3.18Å; N204-D206 VanDerWaalsContact O-N 3.08Å; N204-K207 PolarHBondContact O-N 3.45Å; N204-Y208 WeakPolarHBondContact O-CB 3.36Å; N204-Y208 PolarHBondContact O-N 3.35Å
205	G	98.2	Very high	98.7	Very high	12 Å²	12	29.1 Å²	29.1	12%	0.124	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9	-176.6	0	0	0	0	0	114.6	N147 Q151 Y201	N147-G205 PolarHBondContact ND2-O 2.94Å; Q151-G205 PolarHBondContact NE2-O 3.42Å; Y201-G205 WeakPolarHBondContact O-CA 3.03Å; Y201-G205 PolarHBondContact O-N 2.71Å
206	D	96.9	Very high	98.7	Very high	106 Å²	106	29.7 Å²	29.7	57%	0.567	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-32.3	170.4	62.6	-41.3	0	0	0	112.8	N204	N204-D206 WeakPolarHBondContact CA-OD1 3.39Å; N204-D206 PolarHBondContact O-N 3.18Å; N204-D206 VanDerWaalsContact O-N 3.08Å
207	K	98.1	Very high	98.7	Very high	92 Å²	92	29.9 Å²	29.9	40%	0.4	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-36.4	-174.6	-68.4	172.6	-73.6	-178.9	0	114.2	N204 L209 F240	N204-K207 PolarHBondContact O-N 3.45Å; K207-L209 PolarHBondContact O-N 3.09Å; K207-F240 HydrophobicContact CB-CB 3.64Å; K207-F240 HydrophobicContact CB-CD1 3.96Å; K207-F240 HydrophobicContact CB-CG 3.86Å; K207-F240 HydrophobicContact CD-CD1 4.09Å; K207-F240 HydrophobicContact CD-CD2 4.19Å; K207-F240 HydrophobicContact CD-CE1 4.3Å; K207-F240 HydrophobicContact CD-CE2 4.39Å; K207-F240 HydrophobicContact CD-CG 4.04Å; K207-F240 HydrophobicContact CD-CZ 4.45Å
208	Y	98.8	Very high	98.7	Very high	1 Å²	1	31 Å²	31	0%	0.004	14%	0.144	C	C	.	.			trans	-77.1	120.3	175.1	174.3	-128.5	0	0	0	109.6	Q151 Y201 N204 G210 L214 F240 S241 R244 C245	Q151-Y208 PolarHBondContact NE2-O 2.9Å; Y201-Y208 HydrophobicContact CD2-CD1 4.01Å; Y201-Y208 VanDerWaalsContact CD2-O 3.32Å; Y201-Y208 WeakPolarHBondContact CD2-O 3.42Å; Y201-Y208 VanDerWaalsContact CE2-O 3.3Å; Y201-Y208 WeakPolarHBondContact CE2-O 3.48Å; N204-Y208 WeakPolarHBondContact O-CB 3.36Å; N204-Y208 PolarHBondContact O-N 3.35Å; Y208-G210 PolarHBondContact O-N 3.15Å; Y208-L214 HydrophobicContact CD2-CD1 4.49Å; Y208-L214 HydrophobicContact CE2-CD1 3.57Å; Y208-F240 WeakPolarHBondContact CD2-O 3.33Å; Y208-S241 WeakPolarHBondContact CD2-O 3.48Å; Y208-R244 HydrophobicContact CD1-CB 4.36Å; Y208-R244 HydrophobicContact CD2-CB 3.79Å; Y208-R244 HydrophobicContact CE2-CB 4.39Å; Y208-R244 HydrophobicContact CG-CB 3.79Å; Y208-R244 HydrophobicContact CG-CG 4.46Å; Y208-C245 HydrophobicContact CE2-CB 4.33Å
209	L	98.9	Very high	98.7	Very high	14 Å²	14	32 Å²	32	7%	0.073	15%	0.146	C	C	.	.			trans	-65.8	-22.8	-175	-62.1	179.3	0	0	0	113.6	Q151 I155 K207 V213 L214 L236 S241	Q151-L209 HydrophobicContact CB-CD2 4.15Å; Q151-L209 HydrophobicContact CG-CD2 4.11Å; Q151-L209 PolarHBondContact OE1-O 3.3Å; I155-L209 HydrophobicContact CG2-CD1 4.09Å; K207-L209 PolarHBondContact O-N 3.09Å; L209-V213 HydrophobicContact CB-CB 4.19Å; L209-V213 HydrophobicContact CB-CG1 4.03Å; L209-V213 HydrophobicContact CD1-CG1 4.38Å; L209-V213 WeakPolarHBondContact O-CB 3.4Å; L209-V213 WeakPolarHBondContact O-CG2 3.3Å; L209-L214 HydrophobicContact CB-CD2 4.23Å; L209-L214 HydrophobicContact CB-CG 4.11Å; L209-L214 HydrophobicContact CD1-CD2 4.01Å; L209-L236 HydrophobicContact CD1-CD2 3.55Å; L209-S241 PolarHBondContact N-O 3.24Å
210	G	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	79.3	163.9	179.6	0	0	0	0	0	115	Y208 A212 V213 L214	Y208-G210 PolarHBondContact O-N 3.15Å; G210-A212 PolarHBondContact O-N 3.48Å; G210-V213 PolarHBondContact O-N 2.8Å; G210-L214 WeakPolarHBondContact O-CB 3.49Å; G210-L214 VanDerWaalsContact O-CG 3.27Å; G210-L214 WeakPolarHBondContact O-CG 3.49Å; G210-L214 PolarHBondContact O-N 3.21Å
211	P	98.9	Very high	98.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-34.3	-172.8	23.4	-35.9	0	0	0	115.2	C194 S195 C198 M215 C251 P261 I265	C194-P211 VanDerWaalsContact C-CG 3.47Å; C194-P211 HydrophobicContact CB-CB 4.46Å; C194-P211 HydrophobicContact CB-CG 4.07Å; C194-P211 VanDerWaalsContact O-CG 3.28Å; C194-P211 WeakPolarHBondContact O-CG 3.38Å; S195-P211 WeakPolarHBondContact OG-CD 3.34Å; C198-P211 HydrophobicContact CB-CG 4.42Å; P211-M215 VanDerWaalsContact O-CB 3.3Å; P211-M215 WeakPolarHBondContact O-CB 3.26Å; P211-M215 PolarHBondContact O-N 3.14Å; P211-M215 VanDerWaalsContact O-N 3.09Å; P211-C251 HydrophobicContact CB-CB 3.54Å; P211-C251 HydrophobicContact CG-CB 3.59Å; P211-P261 HydrophobicContact CB-CB 3.78Å; P211-P261 HydrophobicContact CB-CG 4.14Å; P211-P261 WeakPolarHBondContact O-CB 3.49Å; P211-I265 HydrophobicContact CB-CD1 4.02Å
212	A	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-51.2	179.2	0	0	0	0	0	111.3	F148 S195 G210 M215 Q216	F148-A212 HydrophobicContact CE2-CB 3.66Å; F148-A212 HydrophobicContact CZ-CB 3.8Å; S195-A212 PolarHBondContact OG-N 3.47Å; G210-A212 PolarHBondContact O-N 3.48Å; A212-M215 PolarHBondContact O-N 3.37Å; A212-Q216 PolarHBondContact O-N 3.04Å
213	V	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-44.3	-177.6	176.8	0	0	0	0	110.2	Q151 I155 L209 G210 M215 Q216 A217	Q151-V213 HydrophobicContact CB-CG2 4.05Å; Q151-V213 WeakPolarHBondContact O-CG1 3.44Å; I155-V213 HydrophobicContact CB-CG1 4.45Å; I155-V213 HydrophobicContact CD1-CG1 4.02Å; I155-V213 HydrophobicContact CG1-CG1 4.07Å; I155-V213 HydrophobicContact CG2-CG1 3.55Å; L209-V213 HydrophobicContact CB-CB 4.19Å; L209-V213 HydrophobicContact CB-CG1 4.03Å; L209-V213 HydrophobicContact CD1-CG1 4.38Å; L209-V213 WeakPolarHBondContact O-CB 3.4Å; L209-V213 WeakPolarHBondContact O-CG2 3.3Å; G210-V213 PolarHBondContact O-N 2.8Å; V213-M215 VanDerWaalsContact C-N 3.35Å; V213-M215 PolarHBondContact O-N 3.39Å; V213-Q216 CarbonylContact O-C 3.57Å; V213-Q216 WeakPolarHBondContact O-CA 3.4Å; V213-Q216 WeakPolarHBondContact O-CB 3.24Å; V213-Q216 PolarHBondContact O-N 3.25Å; V213-Q216 VanDerWaalsContact O-N 3.08Å; V213-A217 PolarHBondContact O-N 2.94Å
214	L	98.9	Very high	98.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-38.6	178.8	-69.9	169	0	0	0	112.6	Y208 L209 G210 Q216 A217 Y218 L236 L242 I265 I268	Y208-L214 HydrophobicContact CD2-CD1 4.49Å; Y208-L214 HydrophobicContact CE2-CD1 3.57Å; L209-L214 HydrophobicContact CB-CD2 4.23Å; L209-L214 HydrophobicContact CB-CG 4.11Å; L209-L214 HydrophobicContact CD1-CD2 4.01Å; G210-L214 WeakPolarHBondContact O-CB 3.49Å; G210-L214 VanDerWaalsContact O-CG 3.27Å; G210-L214 WeakPolarHBondContact O-CG 3.49Å; G210-L214 PolarHBondContact O-N 3.21Å; L214-Q216 VanDerWaalsContact C-N 3.28Å; L214-Q216 PolarHBondContact O-N 3.03Å; L214-A217 WeakPolarHBondContact O-CB 3.24Å; L214-A217 PolarHBondContact O-N 3.16Å; L214-Y218 PolarHBondContact O-N 3.32Å; L214-L236 HydrophobicContact CD2-CD1 4.16Å; L214-L236 HydrophobicContact CD2-CD2 4.16Å; L214-L242 HydrophobicContact CD1-CD1 4.06Å; L214-L242 HydrophobicContact CD2-CB 4.44Å; L214-L242 HydrophobicContact CD2-CD1 3.98Å; L214-I265 HydrophobicContact CB-CD1 4.31Å; L214-I265 HydrophobicContact CB-CG1 3.73Å; L214-I265 HydrophobicContact CD1-CD1 4.03Å; L214-I265 HydrophobicContact CD1-CG1 3.95Å; L214-I265 HydrophobicContact CG-CG1 4.5Å; L214-I268 HydrophobicContact CB-CD1 4.11Å; L214-I268 HydrophobicContact CD2-CD1 4.43Å; L214-I268 VanDerWaalsContact O-CD1 3.24Å; L214-I268 WeakPolarHBondContact O-CD1 3.48Å
215	M	98.9	Very high	98.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-35.6	173.9	-172.3	174.2	78	0	0	112	L185 C188 P211 A212 V213 Y218 R219 L259 P261 A264	L185-M215 HydrophobicContact CD2-CG 3.66Å; L185-M215 HydrophobicContact CD2-SD 4.31Å; C188-M215 HydrophobicContact CB-CE 3.74Å; P211-M215 VanDerWaalsContact O-CB 3.3Å; P211-M215 WeakPolarHBondContact O-CB 3.26Å; P211-M215 PolarHBondContact O-N 3.14Å; P211-M215 VanDerWaalsContact O-N 3.09Å; A212-M215 PolarHBondContact O-N 3.37Å; V213-M215 VanDerWaalsContact C-N 3.35Å; V213-M215 PolarHBondContact O-N 3.39Å; M215-Y218 PolarHBondContact O-N 3.34Å; M215-R219 PolarHBondContact O-N 3.29Å; M215-L259 HydrophobicContact CE-CB 4.11Å; M215-L259 HydrophobicContact CE-CD1 3.65Å; M215-L259 HydrophobicContact SD-CB 4.17Å; M215-P261 HydrophobicContact CB-CB 4.05Å; M215-P261 HydrophobicContact CG-CB 4.44Å; M215-P261 HydrophobicContact SD-CB 3.78Å; M215-A264 HydrophobicContact CB-CB 4.11Å; M215-A264 HydrophobicContact CG-CB 3.76Å
216	Q	98.9	Very high	98.7	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-71.8	-35	173	-69.5	-58.3	-56.7	0	0	112.7	Y152 I155 L185 L190 A212 V213 L214 Y218 R219 W220	Y152-Q216 HydrophobicContact CD2-CB 4.31Å; Y152-Q216 HydrophobicContact CD2-CG 4.37Å; Y152-Q216 HydrophobicContact CE2-CB 3.89Å; Y152-Q216 HydrophobicContact CE2-CG 3.83Å; I155-Q216 HydrophobicContact CD1-CB 3.77Å; L185-Q216 PolarHBondContact O-NE2 3.36Å; L190-Q216 HydrophobicContact CD2-CG 4.27Å; A212-Q216 PolarHBondContact O-N 3.04Å; V213-Q216 CarbonylContact O-C 3.57Å; V213-Q216 WeakPolarHBondContact O-CA 3.4Å; V213-Q216 WeakPolarHBondContact O-CB 3.24Å; V213-Q216 PolarHBondContact O-N 3.25Å; V213-Q216 VanDerWaalsContact O-N 3.08Å; L214-Q216 VanDerWaalsContact C-N 3.28Å; L214-Q216 PolarHBondContact O-N 3.03Å; Q216-Y218 VanDerWaalsContact C-N 3.32Å; Q216-Y218 PolarHBondContact O-N 3.13Å; Q216-R219 WeakPolarHBondContact O-CB 3.37Å; Q216-R219 PolarHBondContact O-N 3.38Å; Q216-W220 PolarHBondContact O-N 3.08Å
217	A	98.9	Very high	98.8	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.041	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-46.1	171.9	0	0	0	0	0	110.3	I155 V213 L214 R219 W220 M221	I155-A217 HydrophobicContact CB-CB 4.36Å; I155-A217 HydrophobicContact CD1-CB 4.07Å; I155-A217 HydrophobicContact CG2-CB 4.2Å; V213-A217 PolarHBondContact O-N 2.94Å; L214-A217 WeakPolarHBondContact O-CB 3.24Å; L214-A217 PolarHBondContact O-N 3.16Å; A217-R219 VanDerWaalsContact C-N 3.35Å; A217-R219 PolarHBondContact O-N 2.99Å; A217-W220 PolarHBondContact O-N 3.43Å; A217-W220 VanDerWaalsContact O-N 3.15Å; A217-M221 HydrophobicContact CB-CE 4.02Å; A217-M221 VanDerWaalsContact O-CG 3.3Å; A217-M221 WeakPolarHBondContact O-CG 3.47Å; A217-M221 PolarHBondContact O-N 3.01Å
218	Y	98.9	Very high	98.8	Very high	35 Å²	35	19.6 Å²	19.6	14%	0.137	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-42.1	174.6	-173.8	-117	0	0	0	112.7	L185 L214 M215 Q216 W220 M221 I222 A264 E267 I268 M271	L185-Y218 HydrophobicContact CD1-CD1 3.73Å; L185-Y218 HydrophobicContact CD1-CE1 3.99Å; L185-Y218 HydrophobicContact CD2-CD1 3.97Å; L185-Y218 HydrophobicContact CD2-CE1 4.47Å; L214-Y218 PolarHBondContact O-N 3.32Å; M215-Y218 PolarHBondContact O-N 3.34Å; Q216-Y218 VanDerWaalsContact C-N 3.32Å; Q216-Y218 PolarHBondContact O-N 3.13Å; Y218-W220 PolarHBondContact O-N 3.06Å; Y218-W220 VanDerWaalsContact O-N 3.16Å; Y218-M221 PolarHBondContact O-N 3.03Å; Y218-M221 VanDerWaalsContact O-N 3.08Å; Y218-I222 HydrophobicContact CD1-CD1 4.21Å; Y218-I222 HydrophobicContact CD2-CG2 4Å; Y218-I222 HydrophobicContact CE1-CD1 3.64Å; Y218-I222 HydrophobicContact CE1-CG2 4.38Å; Y218-I222 HydrophobicContact CE2-CG2 3.45Å; Y218-I222 VanDerWaalsContact CE2-CG2 3.45Å; Y218-I222 WeakPolarHBondContact O-CG1 3.46Å; Y218-I222 PolarHBondContact O-N 3.16Å; Y218-A264 HydrophobicContact CD1-CB 3.78Å; Y218-A264 HydrophobicContact CE1-CB 4.48Å; Y218-A264 HydrophobicContact CG-CB 4.27Å; Y218-E267 HydrophobicContact CD2-CB 4.25Å; Y218-E267 HydrophobicContact CE1-CB 4.14Å; Y218-E267 HydrophobicContact CE1-CG 4.49Å; Y218-E267 HydrophobicContact CE2-CB 3.46Å; Y218-E267 VanDerWaalsContact CE2-CB 3.46Å; Y218-E267 HydrophobicContact CE2-CG 4.49Å; Y218-E267 VanDerWaalsContact CZ-CB 3.4Å; Y218-E267 WeakPolarHBondContact OH-CB 3.43Å; Y218-I268 HydrophobicContact CD2-CG1 3.71Å; Y218-I268 HydrophobicContact CG-CG1 4.04Å; Y218-M271 HydrophobicContact CD2-SD 4.09Å; Y218-M271 HydrophobicContact CE2-SD 3.71Å
219	R	98.9	Very high	98.7	Very high	30 Å²	30	21.4 Å²	21.4	11%	0.113	11%	0.105	C	C	.	.	H	α-helix	trans	-53.5	-33.8	175	178.5	-94.6	176.7	-90.1	5.9	113.2	L185 M215 Q216 A217 D223	L185-R219 HydrophobicContact CB-CB 3.95Å; L185-R219 HydrophobicContact CB-CG 4.06Å; L185-R219 HydrophobicContact CD1-CB 4.24Å; M215-R219 PolarHBondContact O-N 3.29Å; Q216-R219 WeakPolarHBondContact O-CB 3.37Å; Q216-R219 PolarHBondContact O-N 3.38Å; A217-R219 VanDerWaalsContact C-N 3.35Å; A217-R219 PolarHBondContact O-N 2.99Å; R219-D223 IonicContact CZ-OD2 2.73Å; R219-D223 IonicContact NH1-OD2 3.72Å; R219-D223 PolarHBondContact NH1-OD2 3.31Å; R219-D223 IonicContact NH2-OD2 3.51Å; R219-D223 PolarHBondContact NH2-OD2 3.18Å
220	W	98.9	Very high	98.7	Very high	26 Å²	26	24.8 Å²	24.8	10%	0.098	12%	0.12	C	C	.	.	H	α-helix	trans	-85.6	-35.6	176.6	-70.3	108.2	0	0	0	112.6	P157 Y158 L159 Q216 A217 Y218 I222 D223	P157-W220 WeakPolarHBondContact O-CZ2 3.27Å; Y158-W220 VanDerWaalsContact C-CH2 3.44Å; Y158-W220 VanDerWaalsContact C-CZ3 3.42Å; Y158-W220 VanDerWaalsContact CA-CZ2 3.43Å; L159-W220 HydrophobicContact CB-CH2 4.3Å; L159-W220 HydrophobicContact CB-CZ3 3.76Å; L159-W220 HydrophobicContact CD1-CZ3 4.28Å; L159-W220 VanDerWaalsContact N-CH2 3.3Å; Q216-W220 PolarHBondContact O-N 3.08Å; A217-W220 PolarHBondContact O-N 3.43Å; A217-W220 VanDerWaalsContact O-N 3.15Å; Y218-W220 PolarHBondContact O-N 3.06Å; Y218-W220 VanDerWaalsContact O-N 3.16Å; W220-I222 PolarHBondContact O-N 2.98Å; W220-D223 PolarHBondContact O-N 2.95Å
221	M	98.8	Very high	98.6	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-31.1	177.9	-70.7	167.4	-170.2	0	0	113.8	A217 Y218 T229 R232 L233 L236 I268 M271	A217-M221 HydrophobicContact CB-CE 4.02Å; A217-M221 VanDerWaalsContact O-CG 3.3Å; A217-M221 WeakPolarHBondContact O-CG 3.47Å; A217-M221 PolarHBondContact O-N 3.01Å; Y218-M221 PolarHBondContact O-N 3.03Å; Y218-M221 VanDerWaalsContact O-N 3.08Å; M221-T229 HydrophobicContact CB-CG2 4.08Å; M221-T229 HydrophobicContact CG-CG2 4.45Å; M221-T229 WeakPolarHBondContact O-CG2 3.41Å; M221-T229 PolarHBondContact O-OG1 2.84Å; M221-R232 HydrophobicContact CE-CB 4.01Å; M221-R232 HydrophobicContact CG-CB 3.91Å; M221-L233 HydrophobicContact CE-CD2 4.07Å; M221-L233 HydrophobicContact SD-CD2 3.8Å; M221-L233 HydrophobicContact SD-CG 4.36Å; M221-L236 HydrophobicContact CE-CD1 3.69Å; M221-I268 HydrophobicContact CE-CG2 4.38Å; M221-I268 HydrophobicContact SD-CG1 4.16Å; M221-I268 HydrophobicContact SD-CG2 4.34Å; M221-M271 HydrophobicContact CB-CE 4Å
222	I	98.8	Very high	98.6	Very high	32 Å²	32	28.2 Å²	28.2	16%	0.164	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	1.7	-176	73.3	171.9	0	0	0	114.3	K181 L182 L185 Y218 W220 S224 M271	K181-I222 HydrophobicContact CB-CD1 4.14Å; K181-I222 WeakPolarHBondContact O-CD1 3.47Å; L182-I222 HydrophobicContact CD2-CG1 4.19Å; L185-I222 HydrophobicContact CD1-CD1 3.57Å; L185-I222 HydrophobicContact CD1-CG1 4.26Å; Y218-I222 HydrophobicContact CD1-CD1 4.21Å; Y218-I222 HydrophobicContact CD2-CG2 4Å; Y218-I222 HydrophobicContact CE1-CD1 3.64Å; Y218-I222 HydrophobicContact CE1-CG2 4.38Å; Y218-I222 HydrophobicContact CE2-CG2 3.45Å; Y218-I222 VanDerWaalsContact CE2-CG2 3.45Å; Y218-I222 WeakPolarHBondContact O-CG1 3.46Å; Y218-I222 PolarHBondContact O-N 3.16Å; W220-I222 PolarHBondContact O-N 2.98Å; I222-S224 PolarHBondContact O-N 3.01Å; I222-M271 HydrophobicContact CG2-SD 4.34Å
223	D	98.9	Very high	98.6	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.136	C	C	.	.			trans	-71.6	116.8	171.5	-165.7	-37.1	0	0	0	107.9	Q174 L182 R219 W220 R225 D226	Q174-D223 PolarHBondContact NE2-OD1 3.03Å; L182-D223 HydrophobicContact CD2-CB 4.14Å; R219-D223 IonicContact CZ-OD2 2.73Å; R219-D223 IonicContact NH1-OD2 3.72Å; R219-D223 PolarHBondContact NH1-OD2 3.31Å; R219-D223 IonicContact NH2-OD2 3.51Å; R219-D223 PolarHBondContact NH2-OD2 3.18Å; W220-D223 PolarHBondContact O-N 2.95Å; D223-R225 PolarHBondContact O-N 3Å; D223-R225 IonicContact OD1-CZ 2.67Å; D223-R225 PolarHBondContact OD1-N 2.93Å; D223-R225 IonicContact OD1-NE 3.11Å; D223-R225 PolarHBondContact OD1-NE 2.71Å; D223-R225 IonicContact OD1-NH2 3.48Å; D223-R225 PolarHBondContact OD1-NH2 3.01Å; D223-R225 IonicContact OD2-CZ 2.99Å; D223-R225 IonicContact OD2-NE 2.68Å; D223-R225 IonicContact OD2-NH2 2.78Å; D223-R225 PolarHBondContact OD2-NH2 2.73Å; D223-D226 HydrophobicContact CB-CB 4.46Å; D223-D226 PolarHBondContact O-N 2.68Å
224	S	98.7	Very high	98.5	Very high	56 Å²	56	30.9 Å²	30.9	39%	0.392	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	-174.7	59.5	0	0	0	0	114.6	Q174 D178 I222	Q174-S224 PolarHBondContact NE2-OG 2.95Å; D178-S224 WeakPolarHBondContact CB-OG 3.22Å; D178-S224 WeakPolarHBondContact OD2-CB 3.28Å; D178-S224 PolarHBondContact OD2-OG 3.08Å; D178-S224 VanDerWaalsContact OD2-OG 3.12Å; I222-S224 PolarHBondContact O-N 3.01Å
225	R	98.4	Very high	98.4	Very high	66 Å²	66	35.1 Å²	35.1	25%	0.249	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-17.5	177.6	-58.1	170.3	-63	168.2	4.2	113.1	L159 Q174 D223	L159-R225 HydrophobicContact CD1-CB 3.84Å; L159-R225 HydrophobicContact CD2-CB 4.48Å; Q174-R225 HydrophobicContact CB-CG 4.39Å; D223-R225 PolarHBondContact O-N 3Å; D223-R225 IonicContact OD1-CZ 2.67Å; D223-R225 PolarHBondContact OD1-N 2.93Å; D223-R225 IonicContact OD1-NE 3.11Å; D223-R225 PolarHBondContact OD1-NE 2.71Å; D223-R225 IonicContact OD1-NH2 3.48Å; D223-R225 PolarHBondContact OD1-NH2 3.01Å; D223-R225 IonicContact OD2-CZ 2.99Å; D223-R225 IonicContact OD2-NE 2.68Å; D223-R225 IonicContact OD2-NH2 2.78Å; D223-R225 PolarHBondContact OD2-NH2 2.73Å
226	D	98.6	Very high	98.3	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.053	17%	0.172	C	C	.	.			trans	-85.7	135	-179	-162.8	-92.7	0	0	0	111	L159 K160 D223 F228 R232	L159-D226 HydrophobicContact CD1-CB 4.02Å; K160-D226 PolarHBondContact N-OD2 2.83Å; D223-D226 HydrophobicContact CB-CB 4.46Å; D223-D226 PolarHBondContact O-N 2.68Å; D226-F228 PolarHBondContact OD1-N 2.82Å; D226-R232 IonicContact OD1-CZ 3.55Å; D226-R232 IonicContact OD1-NE 3.64Å; D226-R232 PolarHBondContact OD1-NE 3.28Å; D226-R232 IonicContact OD1-NH2 2.84Å; D226-R232 IonicContact OD2-CZ 3.2Å; D226-R232 IonicContact OD2-NE 3.7Å; D226-R232 IonicContact OD2-NH2 3.05Å; D226-R232 PolarHBondContact OD2-NH2 3.02Å
227	E	98.3	Very high	98.2	Very high	79 Å²	79	39.1 Å²	39.1	37%	0.369	19%	0.191	S	C	.	.	S	Bend	trans	-112.8	16.2	-173.3	-64.4	171.3	179.9	0	0	112.8	K160 K161 R162	K160-E227 PolarHBondContact O-N 2.76Å; K161-E227 WeakPolarHBondContact CA-OE2 3.47Å; K161-E227 WeakPolarHBondContact CE-OE1 3.4Å; K161-E227 IonicContact NZ-OE1 2.9Å; K161-E227 PolarHBondContact NZ-OE1 2.72Å; R162-E227 HydrophobicContact CG-CB 4.08Å; R162-E227 WeakPolarHBondContact CG-OE2 3.42Å; R162-E227 PolarHBondContact N-OE2 2.95Å; R162-E227 PolarHBondContact NE-O 2.78Å; R162-E227 VanDerWaalsContact NE-O 3.15Å; R162-E227 PolarHBondContact NH2-O 2.83Å
228	F	98.1	Very high	98.1	Very high	33 Å²	33	41.3 Å²	41.3	15%	0.145	20%	0.202	C	C	.	.			trans	-120.7	23.1	-174.5	-78.5	-103.9	0	0	0	113.2	K160 R162 D226 E230 E231 R232	K160-F228 HydrophobicContact CB-CB 4.2Å; K160-F228 HydrophobicContact CB-CD2 3.28Å; K160-F228 HydrophobicContact CB-CE2 3.71Å; K160-F228 HydrophobicContact CB-CG 3.82Å; K160-F228 HydrophobicContact CD-CB 4.36Å; K160-F228 HydrophobicContact CD-CD1 4.43Å; K160-F228 HydrophobicContact CD-CD2 4.42Å; K160-F228 HydrophobicContact CD-CG 4.16Å; K160-F228 HydrophobicContact CG-CD2 4.45Å; R162-F228 HydrophobicContact CG-CE2 4.41Å; D226-F228 PolarHBondContact OD1-N 2.82Å; F228-E230 VanDerWaalsContact C-N 3.29Å; F228-E230 PolarHBondContact O-N 2.82Å; F228-E231 WeakPolarHBondContact CA-OE2 3.33Å; F228-E231 HydrophobicContact CD1-CB 4.18Å; F228-E231 HydrophobicContact CD1-CG 4.11Å; F228-E231 PolarHBondContact O-N 2.94Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 VanDerWaalsContact O-CG 3.28Å; F228-R232 WeakPolarHBondContact O-CG 3.19Å; F228-R232 PolarHBondContact O-N 3.36Å
229	T	98.3	Very high	98.1	Very high	39 Å²	39	43.6 Å²	43.6	24%	0.239	22%	0.221	C	C	.	.	H	α-helix	trans	-54.3	-42.9	-179.7	-53.7	0	0	0	0	112.6	M221 R232 L233 M271	M221-T229 HydrophobicContact CB-CG2 4.08Å; M221-T229 HydrophobicContact CG-CG2 4.45Å; M221-T229 WeakPolarHBondContact O-CG2 3.41Å; M221-T229 PolarHBondContact O-OG1 2.84Å; T229-R232 PolarHBondContact O-N 2.9Å; T229-L233 HydrophobicContact CG2-CD1 4.26Å; T229-L233 WeakPolarHBondContact O-CG 3.46Å; T229-L233 PolarHBondContact O-N 3.15Å; T229-M271 HydrophobicContact CG2-CE 3.61Å
230	E	97.5	Very high	98	Very high	85 Å²	85	45 Å²	45	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-44.3	179	-69.4	-178.6	-175.1	0	0	111.9	F228 R232 L233 S234	F228-E230 VanDerWaalsContact C-N 3.29Å; F228-E230 PolarHBondContact O-N 2.82Å; E230-R232 VanDerWaalsContact C-N 3.34Å; E230-R232 PolarHBondContact O-N 3.21Å; E230-L233 PolarHBondContact O-N 3.27Å; E230-S234 PolarHBondContact O-N 3.16Å
231	E	97.9	Very high	98	Very high	60 Å²	60	44.6 Å²	44.6	28%	0.28	23%	0.229	S	C	.	.	H	α-helix	trans	-68.5	-32.1	176.3	-68	86.2	163.7	0	0	113	R162 F228 L233 S234 K235	R162-E231 IonicContact CZ-OE1 3.46Å; R162-E231 IonicContact CZ-OE2 3.63Å; R162-E231 IonicContact NH1-OE1 2.72Å; R162-E231 PolarHBondContact NH1-OE1 3.27Å; R162-E231 IonicContact NH2-OE1 2.72Å; R162-E231 PolarHBondContact NH2-OE1 3.01Å; R162-E231 IonicContact NH2-OE2 3.67Å; R162-E231 PolarHBondContact NH2-OE2 3.48Å; F228-E231 WeakPolarHBondContact CA-OE2 3.33Å; F228-E231 HydrophobicContact CD1-CB 4.18Å; F228-E231 HydrophobicContact CD1-CG 4.11Å; F228-E231 PolarHBondContact O-N 2.94Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-S234 WeakPolarHBondContact CA-OG 3.5Å; E231-S234 PolarHBondContact O-OG 3.26Å; E231-K235 WeakPolarHBondContact O-CG 3.3Å; E231-K235 PolarHBondContact O-N 3.49Å
232	R	98.4	Very high	98	Very high	13 Å²	13	44.3 Å²	44.3	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-37.5	173.8	-70.6	174.9	-171.3	-73.9	6.3	111.1	I155 E156 Y158 M221 D226 F228 T229 E230	I155-R232 PolarHBondContact O-NH1 3.22Å; I155-R232 VanDerWaalsContact O-NH1 3.08Å; E156-R232 PolarHBondContact O-NH1 2.9Å; Y158-R232 PolarHBondContact O-NH2 3.08Å; M221-R232 HydrophobicContact CE-CB 4.01Å; M221-R232 HydrophobicContact CG-CB 3.91Å; D226-R232 IonicContact OD1-CZ 3.55Å; D226-R232 IonicContact OD1-NE 3.64Å; D226-R232 PolarHBondContact OD1-NE 3.28Å; D226-R232 IonicContact OD1-NH2 2.84Å; D226-R232 IonicContact OD2-CZ 3.2Å; D226-R232 IonicContact OD2-NE 3.7Å; D226-R232 IonicContact OD2-NH2 3.05Å; D226-R232 PolarHBondContact OD2-NH2 3.02Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 VanDerWaalsContact O-CG 3.28Å; F228-R232 WeakPolarHBondContact O-CG 3.19Å; F228-R232 PolarHBondContact O-N 3.36Å; T229-R232 PolarHBondContact O-N 2.9Å; E230-R232 VanDerWaalsContact C-N 3.34Å; E230-R232 PolarHBondContact O-N 3.21Å
233	L	98.3	Very high	98	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-70.5	-42.2	174.2	-70.7	168.8	0	0	0	111.6	M221 T229 E230 E231 K235 L236 I268 M271 M272 Y275	M221-L233 HydrophobicContact CE-CD2 4.07Å; M221-L233 HydrophobicContact SD-CD2 3.8Å; M221-L233 HydrophobicContact SD-CG 4.36Å; T229-L233 HydrophobicContact CG2-CD1 4.26Å; T229-L233 WeakPolarHBondContact O-CG 3.46Å; T229-L233 PolarHBondContact O-N 3.15Å; E230-L233 PolarHBondContact O-N 3.27Å; E231-L233 VanDerWaalsContact C-N 3.34Å; L233-K235 VanDerWaalsContact C-N 3.27Å; L233-K235 PolarHBondContact O-N 2.96Å; L233-L236 WeakPolarHBondContact O-CB 3.35Å; L233-L236 PolarHBondContact O-N 3.03Å; L233-I268 HydrophobicContact CD2-CG2 4.3Å; L233-M271 HydrophobicContact CD1-CB 4.21Å; L233-M271 HydrophobicContact CD1-CE 4.28Å; L233-M271 HydrophobicContact CD2-CB 3.88Å; L233-M272 HydrophobicContact CB-SD 3.77Å; L233-M272 HydrophobicContact CD2-CG 3.97Å; L233-M272 HydrophobicContact CD2-SD 3.62Å; L233-M272 HydrophobicContact CG-SD 4.28Å; L233-M272 VanDerWaalsContact O-SD 3.35Å; L233-Y275 HydrophobicContact CB-CD2 4.31Å; L233-Y275 HydrophobicContact CB-CE1 4.2Å; L233-Y275 HydrophobicContact CB-CE2 3.93Å; L233-Y275 HydrophobicContact CD1-CD1 4.11Å; L233-Y275 HydrophobicContact CD1-CD2 4.03Å; L233-Y275 HydrophobicContact CD1-CE2 4.48Å; L233-Y275 HydrophobicContact CD1-CG 3.77Å
234	S	97.1	Very high	98	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-36	-178.9	73.9	0	0	0	0	112.4	E230 E231 L236 Q237	E230-S234 PolarHBondContact O-N 3.16Å; E231-S234 WeakPolarHBondContact CA-OG 3.5Å; E231-S234 PolarHBondContact O-OG 3.26Å; S234-L236 PolarHBondContact O-N 2.97Å; S234-Q237 WeakPolarHBondContact O-CB 3.28Å; S234-Q237 PolarHBondContact O-N 3.44Å
235	K	97.1	Very high	98	Very high	90 Å²	90	48.5 Å²	48.5	39%	0.391	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.8	172.8	-76.3	179.2	175.2	-173	0	114.9	E156 E231 L233	E156-K235 IonicContact OE1-NZ 3.56Å; E156-K235 PolarHBondContact OE1-NZ 3.47Å; E156-K235 IonicContact OE2-NZ 3.29Å; E156-K235 PolarHBondContact OE2-NZ 3.18Å; E156-K235 VanDerWaalsContact OE2-NZ 3.11Å; E231-K235 WeakPolarHBondContact O-CG 3.3Å; E231-K235 PolarHBondContact O-N 3.49Å; L233-K235 VanDerWaalsContact C-N 3.27Å; L233-K235 PolarHBondContact O-N 2.96Å
236	L	97.9	Very high	98	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	3.9	178.1	-55.7	-177.2	0	0	0	112.9	L209 L214 M221 L233 S234 D238 L242 I268 M272	L209-L236 HydrophobicContact CD1-CD2 3.55Å; L214-L236 HydrophobicContact CD2-CD1 4.16Å; L214-L236 HydrophobicContact CD2-CD2 4.16Å; M221-L236 HydrophobicContact CE-CD1 3.69Å; L233-L236 WeakPolarHBondContact O-CB 3.35Å; L233-L236 PolarHBondContact O-N 3.03Å; S234-L236 PolarHBondContact O-N 2.97Å; L236-D238 PolarHBondContact O-N 3.17Å; L236-L242 HydrophobicContact CB-CB 4.18Å; L236-L242 HydrophobicContact CB-CD2 4.47Å; L236-L242 HydrophobicContact CD1-CB 4.48Å; L236-L242 HydrophobicContact CD1-CD2 4.42Å; L236-I268 HydrophobicContact CD1-CG2 3.77Å; L236-M272 HydrophobicContact CB-CE 4.25Å; L236-M272 HydrophobicContact CB-SD 4.41Å
237	Q	96	Very high	98	Very high	95 Å²	95	54.9 Å²	54.9	44%	0.444	27%	0.274	S	S	.	.			trans	-77.9	66.1	176.6	-70.2	-165.8	35.2	0	0	112.2	S234 M272 Y275	S234-Q237 WeakPolarHBondContact O-CB 3.28Å; S234-Q237 PolarHBondContact O-N 3.44Å; Q237-M272 HydrophobicContact CB-CE 4.48Å; Q237-M272 HydrophobicContact CG-CE 3.71Å; Q237-Y275 VanDerWaalsContact CD-OH 3.3Å; Q237-Y275 WeakPolarHBondContact CG-OH 3.16Å; Q237-Y275 PolarHBondContact NE2-OH 3.16Å
238	D	96.9	Very high	98	Very high	50 Å²	50	54.6 Å²	54.6	27%	0.267	27%	0.274	S	S	.	.	S	Bend	trans	-150.3	163.8	170.8	72.9	86.3	0	0	0	110.5	L236 F240 S241 Y243	L236-D238 PolarHBondContact O-N 3.17Å; D238-F240 PolarHBondContact O-N 3.49Å; D238-F240 VanDerWaalsContact OD1-CA 3.31Å; D238-F240 WeakPolarHBondContact OD1-CA 3.26Å; D238-F240 WeakPolarHBondContact OD1-CB 3.49Å; D238-F240 PolarHBondContact OD1-N 3.43Å; D238-S241 PolarHBondContact OD1-N 3.35Å; D238-S241 PolarHBondContact OD1-OG 3.19Å; D238-S241 WeakPolarHBondContact OD2-CB 3.47Å; D238-S241 PolarHBondContact OD2-OG 3.48Å; D238-Y243 VanDerWaalsContact O-CD2 3.29Å; D238-Y243 WeakPolarHBondContact O-CD2 3.32Å
239	P	97.7	Very high	98	Very high	83 Å²	83	56.3 Å²	56.3	54%	0.539	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.7	-175.3	-23.7	34.7	0	0	0	115.5	R244	P239-R244 PolarHBondContact O-NE 2.89Å; P239-R244 PolarHBondContact O-NH2 3.33Å
240	F	98.2	Very high	98	Very high	59 Å²	59	57.1 Å²	57.1	26%	0.259	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-57.9	-168.1	-67.5	-89.3	0	0	0	114.2	K207 Y208 D238 L242 Y243 R244	K207-F240 HydrophobicContact CB-CB 3.64Å; K207-F240 HydrophobicContact CB-CD1 3.96Å; K207-F240 HydrophobicContact CB-CG 3.86Å; K207-F240 HydrophobicContact CD-CD1 4.09Å; K207-F240 HydrophobicContact CD-CD2 4.19Å; K207-F240 HydrophobicContact CD-CE1 4.3Å; K207-F240 HydrophobicContact CD-CE2 4.39Å; K207-F240 HydrophobicContact CD-CG 4.04Å; K207-F240 HydrophobicContact CD-CZ 4.45Å; Y208-F240 WeakPolarHBondContact CD2-O 3.33Å; D238-F240 PolarHBondContact O-N 3.49Å; D238-F240 VanDerWaalsContact OD1-CA 3.31Å; D238-F240 WeakPolarHBondContact OD1-CA 3.26Å; D238-F240 WeakPolarHBondContact OD1-CB 3.49Å; D238-F240 PolarHBondContact OD1-N 3.43Å; F240-L242 PolarHBondContact O-N 3.13Å; F240-Y243 PolarHBondContact O-N 3.37Å; F240-R244 HydrophobicContact CB-CG 4.49Å; F240-R244 HydrophobicContact CD1-CG 4.01Å
241	S	98.3	Very high	98.1	Very high	18 Å²	18	53.5 Å²	53.5	13%	0.126	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-44.6	-163.9	-64.6	0	0	0	0	113.5	Y208 L209 D238	Y208-S241 WeakPolarHBondContact CD2-O 3.48Å; L209-S241 PolarHBondContact N-O 3.24Å; D238-S241 PolarHBondContact OD1-N 3.35Å; D238-S241 PolarHBondContact OD1-OG 3.19Å; D238-S241 WeakPolarHBondContact OD2-CB 3.47Å; D238-S241 PolarHBondContact OD2-OG 3.48Å
242	L	98.6	Very high	98.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-43.2	177.1	174.3	65	0	0	0	112.9	L214 L236 F240 R244 C245 I265 I268 K269 M272	L214-L242 HydrophobicContact CD1-CD1 4.06Å; L214-L242 HydrophobicContact CD2-CB 4.44Å; L214-L242 HydrophobicContact CD2-CD1 3.98Å; L236-L242 HydrophobicContact CB-CB 4.18Å; L236-L242 HydrophobicContact CB-CD2 4.47Å; L236-L242 HydrophobicContact CD1-CB 4.48Å; L236-L242 HydrophobicContact CD1-CD2 4.42Å; F240-L242 PolarHBondContact O-N 3.13Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 2.96Å; L242-C245 PolarHBondContact O-N 2.99Å; L242-C245 VanDerWaalsContact O-N 3.16Å; L242-I265 HydrophobicContact CD1-CG2 3.83Å; L242-I268 HydrophobicContact CD1-CB 4.33Å; L242-I268 HydrophobicContact CD1-CD1 4.48Å; L242-I268 HydrophobicContact CD1-CG2 4.04Å; L242-I268 HydrophobicContact CD2-CG2 3.66Å; L242-K269 HydrophobicContact CD1-CG 4.43Å; L242-K269 HydrophobicContact CD2-CG 4.18Å; L242-K269 HydrophobicContact CG-CG 4.37Å; L242-M272 HydrophobicContact CD2-CG 3.76Å
243	Y	98.4	Very high	98.2	Very high	88 Å²	88	62.1 Å²	62.1	35%	0.345	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.5	-161.2	-65.8	-81.4	0	0	0	115.3	D238 F240 C245 M272	D238-Y243 VanDerWaalsContact O-CD2 3.29Å; D238-Y243 WeakPolarHBondContact O-CD2 3.32Å; F240-Y243 PolarHBondContact O-N 3.37Å; Y243-C245 VanDerWaalsContact C-N 3.26Å; Y243-M272 HydrophobicContact CE2-CE 4.17Å; Y243-M272 WeakPolarHBondContact OH-CE 3.5Å
244	R	98.6	Very high	98.2	Very high	78 Å²	78	63 Å²	63	29%	0.294	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.9	164.3	-60.8	-58.4	88	-159.9	2.4	113.7	S200 Y208 P239 F240 L242 H246	S200-R244 WeakPolarHBondContact CB-O 3.39Å; S200-R244 PolarHBondContact OG-O 3.15Å; Y208-R244 HydrophobicContact CD1-CB 4.36Å; Y208-R244 HydrophobicContact CD2-CB 3.79Å; Y208-R244 HydrophobicContact CE2-CB 4.39Å; Y208-R244 HydrophobicContact CG-CB 3.79Å; Y208-R244 HydrophobicContact CG-CG 4.46Å; P239-R244 PolarHBondContact O-NE 2.89Å; P239-R244 PolarHBondContact O-NH2 3.33Å; F240-R244 HydrophobicContact CB-CG 4.49Å; F240-R244 HydrophobicContact CD1-CG 4.01Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 2.96Å; R244-H246 PolarHBondContact O-CD2 2.72Å; R244-H246 PolarHBondContact O-N 3.36Å; R244-H246 VanDerWaalsContact O-N 3.16Å; R244-H246 PolarHBondContact O-NE2 3.24Å
245	C	98.8	Very high	98.3	Very high	14 Å²	14	61.7 Å²	61.7	10%	0.095	30%	0.3	C	S	.	.			trans	-71.4	108.5	171	179.5	0	0	0	0	110.7	Y208 L242 Y243 I265 K269	Y208-C245 HydrophobicContact CE2-CB 4.33Å; L242-C245 PolarHBondContact O-N 2.99Å; L242-C245 VanDerWaalsContact O-N 3.16Å; Y243-C245 VanDerWaalsContact C-N 3.26Å; C245-I265 HydrophobicContact CB-CG2 3.76Å; C245-K269 PolarHBondContact O-NZ 3.21Å
246	H	98.6	Very high	98.4	Very high	113 Å²	113	58.9 Å²	58.9	52%	0.523	29%	0.291	S	S	.	.			trans	-103	27.8	176.1	-57.6	-62.9	0	0	0	112.9	R244 I248	R244-H246 PolarHBondContact O-CD2 2.72Å; R244-H246 PolarHBondContact O-N 3.36Å; R244-H246 VanDerWaalsContact O-N 3.16Å; R244-H246 PolarHBondContact O-NE2 3.24Å; H246-I248 VanDerWaalsContact C-N 3.29Å; H246-I248 PolarHBondContact O-N 3.18Å
247	T	98.6	Very high	98.4	Very high	96 Å²	96	62.6 Å²	62.6	59%	0.589	31%	0.307	S	S	*	.			trans	55.1	41.1	173.5	-39.6	0	0	0	0	113.5	M249	T247-M249 VanDerWaalsContact C-N 3.3Å; T247-M249 HydrophobicContact CG2-CG 4.18Å; T247-M249 HydrophobicContact CG2-SD 3.86Å; T247-M249 WeakPolarHBondContact O-CG 3.46Å; T247-M249 PolarHBondContact O-N 3.15Å
248	I	98.8	Very high	98.5	Very high	73 Å²	73	61.4 Å²	61.4	37%	0.374	32%	0.32	S	S	.	.			trans	-71.5	-25.4	179.4	-61.1	169.6	0	0	0	111.9	P199 H246 N250	P199-I248 HydrophobicContact CB-CD1 4.04Å; P199-I248 HydrophobicContact CG-CD1 4Å; P199-I248 HydrophobicContact CG-CG2 4.32Å; H246-I248 VanDerWaalsContact C-N 3.29Å; H246-I248 PolarHBondContact O-N 3.18Å; I248-N250 PolarHBondContact O-N 2.89Å; I248-N250 VanDerWaalsContact O-N 3.12Å
249	M	98.7	Very high	98.6	Very high	70 Å²	70	59.6 Å²	59.6	35%	0.345	31%	0.311	S	S	.	.			trans	65.6	5	174.5	-55.7	-53.5	-68.5	0	0	117.8	T247 C251 T252 R253	T247-M249 VanDerWaalsContact C-N 3.3Å; T247-M249 HydrophobicContact CG2-CG 4.18Å; T247-M249 HydrophobicContact CG2-SD 3.86Å; T247-M249 WeakPolarHBondContact O-CG 3.46Å; T247-M249 PolarHBondContact O-N 3.15Å; M249-C251 PolarHBondContact O-N 2.97Å; M249-T252 PolarHBondContact O-N 3.26Å; M249-R253 PolarHBondContact O-N 3.46Å
250	N	98.8	Very high	98.7	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-55.1	-33.6	168.4	-83.1	6.1	0	0	0	113	S197 I248 R253 T254	S197-N250 VanDerWaalsContact O-CB 3.24Å; S197-N250 WeakPolarHBondContact O-CB 3.37Å; S197-N250 PolarHBondContact O-ND2 3.27Å; S197-N250 PolarHBondContact OG-O 3.17Å; I248-N250 PolarHBondContact O-N 2.89Å; I248-N250 VanDerWaalsContact O-N 3.12Å; N250-R253 PolarHBondContact O-N 2.9Å; N250-T254 WeakPolarHBondContact O-CB 3.41Å; N250-T254 WeakPolarHBondContact O-CG2 3.46Å; N250-T254 PolarHBondContact O-N 2.9Å
251	C	98.8	Very high	98.7	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-46.2	-178.3	54.3	0	0	0	0	112.7	C194 P211 M249 C255 P261	C194-C251 HydrophobicContact CB-CB 3.88Å; C194-C251 WeakPolarHBondContact CB-O 3.4Å; P211-C251 HydrophobicContact CB-CB 3.54Å; P211-C251 HydrophobicContact CG-CB 3.59Å; M249-C251 PolarHBondContact O-N 2.97Å; C251-C255 PolarHBondContact O-N 3.42Å; C251-P261 HydrophobicContact CB-CG 3.83Å
252	T	98.8	Very high	98.7	Very high	35 Å²	35	55.5 Å²	55.5	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-71.7	-43.7	176.6	-59	0	0	0	0	110.9	M249 T254 C255 N260 G262	M249-T252 PolarHBondContact O-N 3.26Å; T252-T254 PolarHBondContact O-N 2.72Å; T252-C255 PolarHBondContact O-N 3.08Å; T252-N260 HydrophobicContact CG2-CB 4.06Å; T252-N260 WeakPolarHBondContact CG2-OD1 3.42Å; T252-N260 PolarHBondContact OG1-OD1 3.39Å; T252-G262 PolarHBondContact OG1-N 3.44Å
253	R	98.8	Very high	98.7	Very high	220 Å²	220	61.6 Å²	61.6	83%	0.83	31%	0.314	S	S	*	.	H	α-helix	trans	-55.1	-40.5	178.8	-179.7	-174.5	-68.4	-108.2	0.9	112.7	M249 N250	M249-R253 PolarHBondContact O-N 3.46Å; N250-R253 PolarHBondContact O-N 2.9Å
254	T	98.8	Very high	98.8	Very high	23 Å²	23	57.6 Å²	57.6	14%	0.141	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.3	-171.2	-145.7	0	0	0	0	113.9	N111 C193 C194 S197 N250 T252 P256	N111-T254 HydrophobicContact CB-CG2 4.32Å; N111-T254 WeakPolarHBondContact CB-OG1 3.22Å; N111-T254 PolarHBondContact N-OG1 2.89Å; N111-T254 PolarHBondContact O-OG1 3.29Å; C193-T254 HydrophobicContact CB-CG2 4.22Å; C193-T254 WeakPolarHBondContact O-CG2 3.28Å; C194-T254 HydrophobicContact CB-CG2 4.41Å; S197-T254 VanDerWaalsContact OG-CG2 3.27Å; S197-T254 WeakPolarHBondContact OG-CG2 3.35Å; N250-T254 WeakPolarHBondContact O-CB 3.41Å; N250-T254 WeakPolarHBondContact O-CG2 3.46Å; N250-T254 PolarHBondContact O-N 2.9Å; T252-T254 PolarHBondContact O-N 2.72Å; T254-P256 VanDerWaalsContact O-CD 3.26Å; T254-P256 WeakPolarHBondContact O-CD 3.34Å; T254-P256 VanDerWaalsContact O-N 3.14Å
255	C	98.9	Very high	98.8	Very high	22 Å²	22	53.9 Å²	53.9	15%	0.149	29%	0.285	C	S	.	.			trans	-65.3	115.4	-173.2	-174.5	0	0	0	0	110.5	C251 T252 K257 G258 L259	C251-C255 PolarHBondContact O-N 3.42Å; T252-C255 PolarHBondContact O-N 3.08Å; C255-K257 PolarHBondContact O-N 2.96Å; C255-K257 VanDerWaalsContact O-N 3.08Å; C255-G258 PolarHBondContact O-N 3.27Å; C255-L259 PolarHBondContact SG-N 3.05Å; C255-L259 VanDerWaalsContact SG-N 3.43Å
256	P	98.6	Very high	98.8	Very high	31 Å²	31	55.4 Å²	55.4	20%	0.201	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.7	-177	30	-36.4	0	0	0	113.2	L113 T254	L113-P256 HydrophobicContact CD1-CB 4.02Å; L113-P256 HydrophobicContact CD1-CG 4.01Å; L113-P256 HydrophobicContact CD2-CG 4.19Å; L113-P256 HydrophobicContact CG-CB 3.77Å; L113-P256 HydrophobicContact CG-CG 3.76Å; T254-P256 VanDerWaalsContact O-CD 3.26Å; T254-P256 WeakPolarHBondContact O-CD 3.34Å; T254-P256 VanDerWaalsContact O-N 3.14Å
257	K	98.8	Very high	98.8	Very high	82 Å²	82	52.4 Å²	52.4	36%	0.357	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	1.8	177.1	-61	-58.4	-61.7	-176	0	113	I189 C255 L259	I189-K257 HydrophobicContact CD1-CD 4.24Å; I189-K257 HydrophobicContact CD1-CG 4.15Å; I189-K257 HydrophobicContact CG1-CG 4.24Å; I189-K257 HydrophobicContact CG2-CD 4.33Å; I189-K257 HydrophobicContact CG2-CG 4.29Å; C255-K257 PolarHBondContact O-N 2.96Å; C255-K257 VanDerWaalsContact O-N 3.08Å; K257-L259 VanDerWaalsContact C-N 3.25Å; K257-L259 HydrophobicContact CB-CD1 4.17Å; K257-L259 HydrophobicContact CB-CD2 4.41Å; K257-L259 HydrophobicContact CB-CG 3.88Å; K257-L259 PolarHBondContact O-N 2.91Å
258	G	98.5	Very high	98.8	Very high	70 Å²	70	47.8 Å²	47.8	72%	0.722	26%	0.257	S	S	*	.			trans	69.6	18.7	-179.3	0	0	0	0	0	114.7	C255	C255-G258 PolarHBondContact O-N 3.27Å
259	L	98.8	Very high	98.8	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.063	25%	0.252	C	S	.	.			trans	-79.2	160.8	179.3	-47.7	177.6	0	0	0	111.2	E187 C188 M215 C255 K257 P261	E187-L259 HydrophobicContact CB-CD1 4.45Å; E187-L259 HydrophobicContact CB-CD2 4.1Å; C188-L259 HydrophobicContact CB-CD1 4.03Å; M215-L259 HydrophobicContact CE-CB 4.11Å; M215-L259 HydrophobicContact CE-CD1 3.65Å; M215-L259 HydrophobicContact SD-CB 4.17Å; C255-L259 PolarHBondContact SG-N 3.05Å; C255-L259 VanDerWaalsContact SG-N 3.43Å; K257-L259 VanDerWaalsContact C-N 3.25Å; K257-L259 HydrophobicContact CB-CD1 4.17Å; K257-L259 HydrophobicContact CB-CD2 4.41Å; K257-L259 HydrophobicContact CB-CG 3.88Å; K257-L259 PolarHBondContact O-N 2.91Å; L259-P261 VanDerWaalsContact C-CD 3.45Å; L259-P261 WeakPolarHBondContact O-CD 3.3Å
260	N	98.9	Very high	98.8	Very high	64 Å²	64	49.6 Å²	49.6	34%	0.342	26%	0.26	S	S	.	.			trans	-119.4	73.4	-176.9	-163.2	-16.5	0	0	0	113	T252 G262 K263 A264	T252-N260 HydrophobicContact CG2-CB 4.06Å; T252-N260 WeakPolarHBondContact CG2-OD1 3.42Å; T252-N260 PolarHBondContact OG1-OD1 3.39Å; N260-G262 PolarHBondContact O-N 2.96Å; N260-K263 HydrophobicContact CB-CB 4.1Å; N260-K263 VanDerWaalsContact CG-CB 3.47Å; N260-K263 PolarHBondContact O-N 2.9Å; N260-K263 PolarHBondContact OD1-N 2.91Å; N260-A264 PolarHBondContact O-N 2.92Å; N260-A264 VanDerWaalsContact O-N 3.16Å
261	P	98.9	Very high	98.7	Very high	1 Å²	1	49 Å²	49	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-28.8	177.6	25.9	-34.9	0	0	0	112.9	C194 P211 M215 C251 L259 A264 I265	C194-P261 HydrophobicContact CB-CG 4.36Å; P211-P261 HydrophobicContact CB-CB 3.78Å; P211-P261 HydrophobicContact CB-CG 4.14Å; P211-P261 WeakPolarHBondContact O-CB 3.49Å; M215-P261 HydrophobicContact CB-CB 4.05Å; M215-P261 HydrophobicContact CG-CB 4.44Å; M215-P261 HydrophobicContact SD-CB 3.78Å; C251-P261 HydrophobicContact CB-CG 3.83Å; L259-P261 VanDerWaalsContact C-CD 3.45Å; L259-P261 WeakPolarHBondContact O-CD 3.3Å; P261-A264 PolarHBondContact O-N 2.74Å; P261-I265 VanDerWaalsContact O-CG1 3.28Å; P261-I265 WeakPolarHBondContact O-CG1 3.37Å; P261-I265 PolarHBondContact O-N 2.97Å
262	G	98.9	Very high	98.7	Very high	9 Å²	9	49.5 Å²	49.5	9%	0.093	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-42.8	174.6	0	0	0	0	0	112.5	T252 N260 A266	T252-G262 PolarHBondContact OG1-N 3.44Å; N260-G262 PolarHBondContact O-N 2.96Å; G262-A266 PolarHBondContact O-N 2.9Å; G262-A266 VanDerWaalsContact O-N 3.13Å
263	K	98.8	Very high	98.5	Very high	128 Å²	128	52 Å²	52	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-64.7	-46.6	173.6	-177.9	179.8	178.1	-177.6	0	111.5	N260 I265 A266 E267	N260-K263 HydrophobicContact CB-CB 4.1Å; N260-K263 VanDerWaalsContact CG-CB 3.47Å; N260-K263 PolarHBondContact O-N 2.9Å; N260-K263 PolarHBondContact OD1-N 2.91Å; K263-I265 VanDerWaalsContact C-N 3.31Å; K263-I265 PolarHBondContact O-N 2.93Å; K263-A266 WeakPolarHBondContact O-CB 3.26Å; K263-A266 PolarHBondContact O-N 3.3Å; K263-E267 PolarHBondContact O-N 3.01Å
264	A	98.9	Very high	98.3	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-44.5	177.6	0	0	0	0	0	111.9	L185 M215 Y218 N260 P261 A266 E267 I268	L185-A264 HydrophobicContact CD2-CB 4.16Å; M215-A264 HydrophobicContact CB-CB 4.11Å; M215-A264 HydrophobicContact CG-CB 3.76Å; Y218-A264 HydrophobicContact CD1-CB 3.78Å; Y218-A264 HydrophobicContact CE1-CB 4.48Å; Y218-A264 HydrophobicContact CG-CB 4.27Å; N260-A264 PolarHBondContact O-N 2.92Å; N260-A264 VanDerWaalsContact O-N 3.16Å; P261-A264 PolarHBondContact O-N 2.74Å; A264-A266 VanDerWaalsContact C-N 3.3Å; A264-A266 PolarHBondContact O-N 2.78Å; A264-E267 PolarHBondContact O-N 2.72Å; A264-E267 VanDerWaalsContact O-N 3.16Å; A264-I268 WeakPolarHBondContact O-CG1 3.42Å; A264-I268 PolarHBondContact O-N 3.2Å
265	I	98.9	Very high	97.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-39.1	175.2	-68.7	162.9	0	0	0	111.9	P211 L214 L242 C245 P261 K263 E267 I268 K269	P211-I265 HydrophobicContact CB-CD1 4.02Å; L214-I265 HydrophobicContact CB-CD1 4.31Å; L214-I265 HydrophobicContact CB-CG1 3.73Å; L214-I265 HydrophobicContact CD1-CD1 4.03Å; L214-I265 HydrophobicContact CD1-CG1 3.95Å; L214-I265 HydrophobicContact CG-CG1 4.5Å; L242-I265 HydrophobicContact CD1-CG2 3.83Å; C245-I265 HydrophobicContact CB-CG2 3.76Å; P261-I265 VanDerWaalsContact O-CG1 3.28Å; P261-I265 WeakPolarHBondContact O-CG1 3.37Å; P261-I265 PolarHBondContact O-N 2.97Å; K263-I265 VanDerWaalsContact C-N 3.31Å; K263-I265 PolarHBondContact O-N 2.93Å; I265-E267 VanDerWaalsContact C-N 3.35Å; I265-I268 PolarHBondContact O-N 3.26Å; I265-K269 WeakPolarHBondContact O-CG 3.46Å; I265-K269 PolarHBondContact O-N 3.1Å
266	A	98.8	Very high	96.9	Very high	46 Å²	46	55.2 Å²	55.2	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-38.7	176.3	0	0	0	0	0	112.1	G262 K263 A264 K269 K270	G262-A266 PolarHBondContact O-N 2.9Å; G262-A266 VanDerWaalsContact O-N 3.13Å; K263-A266 WeakPolarHBondContact O-CB 3.26Å; K263-A266 PolarHBondContact O-N 3.3Å; A264-A266 VanDerWaalsContact C-N 3.3Å; A264-A266 PolarHBondContact O-N 2.78Å; A266-K269 PolarHBondContact O-N 3.22Å; A266-K270 PolarHBondContact O-N 3.03Å
267	E	98.8	Very high	95.4	Very high	49 Å²	49	59.6 Å²	59.6	23%	0.229	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-40.7	174.3	-64.1	-56.5	148.8	0	0	112.1	Y218 K263 A264 I265 K269 K270 M271	Y218-E267 HydrophobicContact CD2-CB 4.25Å; Y218-E267 HydrophobicContact CE1-CB 4.14Å; Y218-E267 HydrophobicContact CE1-CG 4.49Å; Y218-E267 HydrophobicContact CE2-CB 3.46Å; Y218-E267 VanDerWaalsContact CE2-CB 3.46Å; Y218-E267 HydrophobicContact CE2-CG 4.49Å; Y218-E267 VanDerWaalsContact CZ-CB 3.4Å; Y218-E267 WeakPolarHBondContact OH-CB 3.43Å; K263-E267 PolarHBondContact O-N 3.01Å; A264-E267 PolarHBondContact O-N 2.72Å; A264-E267 VanDerWaalsContact O-N 3.16Å; I265-E267 VanDerWaalsContact C-N 3.35Å; E267-K269 VanDerWaalsContact C-N 3.31Å; E267-K269 PolarHBondContact O-N 3.41Å; E267-K270 WeakPolarHBondContact O-CB 3.31Å; E267-K270 PolarHBondContact O-N 3.48Å; E267-K270 VanDerWaalsContact O-N 3.15Å; E267-K270 IonicContact OE1-NZ 3.89Å; E267-K270 PolarHBondContact OE1-NZ 3.13Å; E267-K270 WeakPolarHBondContact OE2-CE 3.17Å; E267-K270 IonicContact OE2-NZ 3.68Å; E267-K270 PolarHBondContact OE2-NZ 2.91Å; E267-M271 WeakPolarHBondContact O-CG 3.35Å; E267-M271 PolarHBondContact O-N 3.22Å
268	I	98.7	Very high	93.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57	-46.7	171.2	-59.1	167.6	0	0	0	110.1	L214 Y218 M221 L233 L236 L242 A264 I265 K270 M271 M272	L214-I268 HydrophobicContact CB-CD1 4.11Å; L214-I268 HydrophobicContact CD2-CD1 4.43Å; L214-I268 VanDerWaalsContact O-CD1 3.24Å; L214-I268 WeakPolarHBondContact O-CD1 3.48Å; Y218-I268 HydrophobicContact CD2-CG1 3.71Å; Y218-I268 HydrophobicContact CG-CG1 4.04Å; M221-I268 HydrophobicContact CE-CG2 4.38Å; M221-I268 HydrophobicContact SD-CG1 4.16Å; M221-I268 HydrophobicContact SD-CG2 4.34Å; L233-I268 HydrophobicContact CD2-CG2 4.3Å; L236-I268 HydrophobicContact CD1-CG2 3.77Å; L242-I268 HydrophobicContact CD1-CB 4.33Å; L242-I268 HydrophobicContact CD1-CD1 4.48Å; L242-I268 HydrophobicContact CD1-CG2 4.04Å; L242-I268 HydrophobicContact CD2-CG2 3.66Å; A264-I268 WeakPolarHBondContact O-CG1 3.42Å; A264-I268 PolarHBondContact O-N 3.2Å; I265-I268 PolarHBondContact O-N 3.26Å; I268-K270 VanDerWaalsContact C-N 3.28Å; I268-K270 PolarHBondContact O-N 3.06Å; I268-M271 WeakPolarHBondContact O-CB 3.48Å; I268-M271 PolarHBondContact O-N 3.08Å; I268-M271 VanDerWaalsContact O-N 3.14Å; I268-M272 HydrophobicContact CG2-CG 4.06Å; I268-M272 WeakPolarHBondContact O-CB 3.39Å; I268-M272 VanDerWaalsContact O-CG 3.24Å; I268-M272 WeakPolarHBondContact O-CG 3.14Å; I268-M272 PolarHBondContact O-N 3.34Å
269	K	98.6	Very high	90.9	Very high	61 Å²	61	69.4 Å²	69.4	27%	0.265	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-36.3	178.9	-73.2	178.2	177	-176	0	112.6	L242 C245 I265 A266 E267 M272 A273	L242-K269 HydrophobicContact CD1-CG 4.43Å; L242-K269 HydrophobicContact CD2-CG 4.18Å; L242-K269 HydrophobicContact CG-CG 4.37Å; C245-K269 PolarHBondContact O-NZ 3.21Å; I265-K269 WeakPolarHBondContact O-CG 3.46Å; I265-K269 PolarHBondContact O-N 3.1Å; A266-K269 PolarHBondContact O-N 3.22Å; E267-K269 VanDerWaalsContact C-N 3.31Å; E267-K269 PolarHBondContact O-N 3.41Å; K269-M272 PolarHBondContact O-N 2.69Å; K269-A273 PolarHBondContact O-N 2.62Å; K269-A273 VanDerWaalsContact O-N 3.15Å
270	K	98.5	Very high	88.3	Confident	119 Å²	119	73 Å²	73	52%	0.517	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-46	173.7	-71.9	165.7	61.6	-161.9	0	111.1	A266 E267 I268 M272 A273 T274	A266-K270 PolarHBondContact O-N 3.03Å; E267-K270 WeakPolarHBondContact O-CB 3.31Å; E267-K270 PolarHBondContact O-N 3.48Å; E267-K270 VanDerWaalsContact O-N 3.15Å; E267-K270 IonicContact OE1-NZ 3.89Å; E267-K270 PolarHBondContact OE1-NZ 3.13Å; E267-K270 WeakPolarHBondContact OE2-CE 3.17Å; E267-K270 IonicContact OE2-NZ 3.68Å; E267-K270 PolarHBondContact OE2-NZ 2.91Å; I268-K270 VanDerWaalsContact C-N 3.28Å; I268-K270 PolarHBondContact O-N 3.06Å; K270-M272 VanDerWaalsContact C-N 3.33Å; K270-M272 PolarHBondContact O-N 3.31Å; K270-A273 PolarHBondContact O-N 3.34Å; K270-T274 PolarHBondContact O-N 3.18Å; K270-T274 PolarHBondContact O-OG1 3.42Å
271	M	98.1	Very high	85.4	Confident	44 Å²	44	74.2 Å²	74.2	22%	0.217	40%	0.396	C	S	.	.	H	α-helix	trans	-59.9	-44.3	175	-64.8	174	72.7	0	0	111.2	Y218 M221 I222 T229 L233 E267 I268 A273 T274 Y275	Y218-M271 HydrophobicContact CD2-SD 4.09Å; Y218-M271 HydrophobicContact CE2-SD 3.71Å; M221-M271 HydrophobicContact CB-CE 4Å; I222-M271 HydrophobicContact CG2-SD 4.34Å; T229-M271 HydrophobicContact CG2-CE 3.61Å; L233-M271 HydrophobicContact CD1-CB 4.21Å; L233-M271 HydrophobicContact CD1-CE 4.28Å; L233-M271 HydrophobicContact CD2-CB 3.88Å; E267-M271 WeakPolarHBondContact O-CG 3.35Å; E267-M271 PolarHBondContact O-N 3.22Å; I268-M271 WeakPolarHBondContact O-CB 3.48Å; I268-M271 PolarHBondContact O-N 3.08Å; I268-M271 VanDerWaalsContact O-N 3.14Å; M271-A273 PolarHBondContact O-N 2.89Å; M271-T274 PolarHBondContact O-N 3.22Å; M271-T274 VanDerWaalsContact O-N 3.13Å; M271-T274 PolarHBondContact O-OG1 3.12Å; M271-Y275 WeakPolarHBondContact O-CB 3.4Å; M271-Y275 VanDerWaalsContact O-CD1 3.26Å; M271-Y275 WeakPolarHBondContact O-CD1 3.48Å; M271-Y275 PolarHBondContact O-N 2.67Å
272	M	97.1	Very high	82.3	Confident	18 Å²	18	79.1 Å²	79.1	9%	0.089	44%	0.437	C	S	.	.	H	α-helix	trans	-60.4	-29.6	178	-71.7	-67.4	-72	0	0	113.3	L233 L236 Q237 L242 Y243 I268 K269 K270 Y275	L233-M272 HydrophobicContact CB-SD 3.77Å; L233-M272 HydrophobicContact CD2-CG 3.97Å; L233-M272 HydrophobicContact CD2-SD 3.62Å; L233-M272 HydrophobicContact CG-SD 4.28Å; L233-M272 VanDerWaalsContact O-SD 3.35Å; L236-M272 HydrophobicContact CB-CE 4.25Å; L236-M272 HydrophobicContact CB-SD 4.41Å; Q237-M272 HydrophobicContact CB-CE 4.48Å; Q237-M272 HydrophobicContact CG-CE 3.71Å; L242-M272 HydrophobicContact CD2-CG 3.76Å; Y243-M272 HydrophobicContact CE2-CE 4.17Å; Y243-M272 WeakPolarHBondContact OH-CE 3.5Å; I268-M272 HydrophobicContact CG2-CG 4.06Å; I268-M272 WeakPolarHBondContact O-CB 3.39Å; I268-M272 VanDerWaalsContact O-CG 3.24Å; I268-M272 WeakPolarHBondContact O-CG 3.14Å; I268-M272 PolarHBondContact O-N 3.34Å; K269-M272 PolarHBondContact O-N 2.69Å; K270-M272 VanDerWaalsContact C-N 3.33Å; K270-M272 PolarHBondContact O-N 3.31Å; M272-Y275 HydrophobicContact CB-CE1 4.35Å; M272-Y275 HydrophobicContact CE-CE1 4.21Å; M272-Y275 VanDerWaalsContact O-CD1 3.32Å; M272-Y275 WeakPolarHBondContact O-CD1 3.39Å; M272-Y275 WeakPolarHBondContact O-CE1 3.19Å; M272-Y275 HydrophobicContact SD-CE1 3.67Å
273	A	95.7	Very high	79.2	Confident	87 Å²	87	88.7 Å²	88.7	72%	0.719	49%	0.493	S	S	*	.	H	α-helix	trans	-84	-17.5	179.5	0	0	0	0	0	113.6	K269 K270 M271	K269-A273 PolarHBondContact O-N 2.62Å; K269-A273 VanDerWaalsContact O-N 3.15Å; K270-A273 PolarHBondContact O-N 3.34Å; M271-A273 PolarHBondContact O-N 2.89Å
274	T	93.4	Very high	78.3	Confident	109 Å²	109	86.7 Å²	86.7	67%	0.669	49%	0.49	S	S	*	.	H	α-helix	trans	-116.1	-23	-173.1	59.5	0	0	0	0	114.1	K270 M271 K276	K270-T274 PolarHBondContact O-N 3.18Å; K270-T274 PolarHBondContact O-OG1 3.42Å; M271-T274 PolarHBondContact O-N 3.22Å; M271-T274 VanDerWaalsContact O-N 3.13Å; M271-T274 PolarHBondContact O-OG1 3.12Å; T274-K276 PolarHBondContact O-N 3.32Å
275	Y	89.1	Confident	77.2	Confident	45 Å²	45	91.1 Å²	91.1	18%	0.176	51%	0.514	C	S	.	.			trans	-66.9	136.9	177.7	87.8	-69.6	0	0	0	110.2	L233 Q237 M271 M272	L233-Y275 HydrophobicContact CB-CD2 4.31Å; L233-Y275 HydrophobicContact CB-CE1 4.2Å; L233-Y275 HydrophobicContact CB-CE2 3.93Å; L233-Y275 HydrophobicContact CD1-CD1 4.11Å; L233-Y275 HydrophobicContact CD1-CD2 4.03Å; L233-Y275 HydrophobicContact CD1-CE2 4.48Å; L233-Y275 HydrophobicContact CD1-CG 3.77Å; Q237-Y275 VanDerWaalsContact CD-OH 3.3Å; Q237-Y275 WeakPolarHBondContact CG-OH 3.16Å; Q237-Y275 PolarHBondContact NE2-OH 3.16Å; M271-Y275 WeakPolarHBondContact O-CB 3.4Å; M271-Y275 VanDerWaalsContact O-CD1 3.26Å; M271-Y275 WeakPolarHBondContact O-CD1 3.48Å; M271-Y275 PolarHBondContact O-N 2.67Å; M272-Y275 HydrophobicContact CB-CE1 4.35Å; M272-Y275 HydrophobicContact CE-CE1 4.21Å; M272-Y275 VanDerWaalsContact O-CD1 3.32Å; M272-Y275 WeakPolarHBondContact O-CD1 3.39Å; M272-Y275 WeakPolarHBondContact O-CE1 3.19Å; M272-Y275 HydrophobicContact SD-CE1 3.67Å
276	K	79.8	Confident	76	Confident	179 Å²	179	96.1 Å²	96.1	78%	0.778	54%	0.542	S	S	*	.			trans	-94.7	117.4	176	-65	179.2	-178.4	178.5	0	106.4	T274 K278	T274-K276 PolarHBondContact O-N 3.32Å; K276-K278 PolarHBondContact O-N 2.78Å
277	E	66.7	Low	74.6	Confident	124 Å²	124	99 Å²	99	58%	0.579	55%	0.552	S	S	*	*			trans	-58.2	114.9	167.3	-170	174.3	-160.6	0	0	107.4	K279	E277-K279 VanDerWaalsContact C-N 3.28Å; E277-K279 PolarHBondContact O-N 3.39Å
278	K	57.5	Low	73.1	Confident	164 Å²	164	102.1 Å²	102.1	71%	0.713	57%	0.572	S	S	*	*			trans	-61	105.4	156.3	-82.3	179.3	179.1	171.2	0	104.1	K276 A280	K276-K278 PolarHBondContact O-N 2.78Å; K278-A280 PolarHBondContact O-N 3.35Å
279	K	45.2	Very low	71.4	Confident	194 Å²	194	108.9 Å²	108.9	84%	0.843	61%	0.61	S	S	*	*			trans	-41.6	111.7	167.3	-86.3	-173.2	174.8	-176.9	0	105.5	E277 A281	E277-K279 VanDerWaalsContact C-N 3.28Å; E277-K279 PolarHBondContact O-N 3.39Å; K279-A281 PolarHBondContact O-N 2.96Å
280	A	45.3	Very low	69.5	Low	88 Å²	88	112.4 Å²	112.4	73%	0.727	64%	0.635	S	S	*	*			trans	-49.7	117.8	171.7	0	0	0	0	0	104.8	K278 A282	K278-A280 PolarHBondContact O-N 3.35Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 3.38Å
281	A	37.2	Very low	67.2	Low	88 Å²	88	111.8 Å²	111.8	73%	0.727	64%	0.644	S	S	*	*			trans	-55.1	111.5	171	0	0	0	0	0	104.5	K279 V283	K279-A281 PolarHBondContact O-N 2.96Å; A281-V283 PolarHBondContact O-N 3.41Å
282	A	33.7	Very low	64.7	Low	105 Å²	105	117.5 Å²	117.5	87%	0.868	68%	0.68	S	S	*	*			trans	-55.2	114.2	172.2	0	0	0	0	0	106.3	A280	A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 3.38Å
283	V	35.5	Very low	61.7	Low	209 Å²	209	126.5 Å²	126.5	100%	1.267	73%	0.733	S	S	*	*			trans	-122.5	0	162.8	-176.8	0	0	0	0	105.9	A281	A281-V283 PolarHBondContact O-N 3.41Å

Retrieved 283 of 283 residues in 265 ms (Link to these results)

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