A0A087XA23_POEFO Loading...

Adenylate kinase 2, mitochondrial

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism. Adenylate kinase activity is critical for regulation of the phosphate utilization and the AMP de novo biosynthesis pathways. Plays a key role in hematopoiesis.

AlphaFold DB , UniProt , Accession A0A087XA23, Species POEFO (Poecilia formosa, Amazon molly), Gene AK2, Length 243 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	38.3	Very low	245 Å²	245	125.5 Å²	125.5	100%	1.207	69%	0.693	S	S	*	*				0	82.7	0	-73.1	174.5	175.7	0	0	106.7
2	A	37.1	Very low	38.3	Very low	57 Å²	57	122 Å²	122	47%	0.471	69%	0.693	S	S	.	*				101.2	84.2	96.1	0	0	0	0	0	111.1	S4	A2-S4 PolarHBondContact O-N 2.88Å
3	P	44.5	Very low	38.9	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-1.8	162	-3.9	21	0	0	0	112.4	V5	P3-V5 VanDerWaalsContact C-N 3.33Å; P3-V5 PolarHBondContact O-N 2.87Å
4	S	39.9	Very low	39.6	Very low	77 Å²	77	120.6 Å²	120.6	54%	0.538	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-6.5	-174.4	48.7	0	0	0	0	114.7	A2	A2-S4 PolarHBondContact O-N 2.88Å
5	V	41.8	Very low	40.8	Very low	85 Å²	85	116.6 Å²	116.6	52%	0.515	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	-38.5	178.1	-176.3	0	0	0	0	110.9	P3 L7 K8	P3-V5 VanDerWaalsContact C-N 3.33Å; P3-V5 PolarHBondContact O-N 2.87Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 2.85Å; V5-K8 PolarHBondContact O-N 2.84Å
6	Q	36.9	Very low	42.7	Very low	156 Å²	156	119.3 Å²	119.3	73%	0.729	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-22.4	-176.9	-75.8	172	-15.2	0	0	114.1
7	L	37	Very low	45.5	Very low	139 Å²	139	112.8 Å²	112.8	73%	0.728	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-21.6	176	-131.7	97.7	0	0	0	113.1	V5	V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 2.85Å
8	K	33.3	Very low	48.3	Very low	166 Å²	166	106.6 Å²	106.6	72%	0.722	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-26.7	178.1	-79.9	-173.2	173	-173.7	0	112.6	V5 A10 I11	V5-K8 PolarHBondContact O-N 2.84Å; K8-A10 VanDerWaalsContact C-N 3.33Å; K8-I11 PolarHBondContact O-N 3.5Å
9	E	32.2	Very low	50.9	Low	137 Å²	137	104.2 Å²	104.2	64%	0.64	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-78	-16.3	-179.4	-70.6	175.1	162.2	0	0	113.1	I11 A12	E9-I11 VanDerWaalsContact C-N 3.31Å; E9-I11 PolarHBondContact O-N 2.96Å; E9-A12 WeakPolarHBondContact O-CB 3.42Å
10	A	36	Very low	53.3	Low	90 Å²	90	99 Å²	99	74%	0.744	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-83.6	-1.3	173.8	0	0	0	0	0	114.3	K8	K8-A10 VanDerWaalsContact C-N 3.33Å
11	I	41.9	Very low	55.4	Low	114 Å²	114	94.3 Å²	94.3	59%	0.585	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-98.7	6.3	176.7	-43.7	179.4	0	0	0	110.5	K8 E9 D13 V14	K8-I11 PolarHBondContact O-N 3.5Å; E9-I11 VanDerWaalsContact C-N 3.31Å; E9-I11 PolarHBondContact O-N 2.96Å; I11-D13 VanDerWaalsContact C-N 3.26Å; I11-D13 PolarHBondContact O-N 3.28Å; I11-D13 VanDerWaalsContact O-N 3.09Å; I11-V14 HydrophobicContact CG2-CG2 4.41Å
12	A	38.3	Very low	58.1	Low	83 Å²	83	82.7 Å²	82.7	69%	0.686	47%	0.468	S	S	*	.			trans	-83.3	28	-169.4	0	0	0	0	0	115.6	E9	E9-A12 WeakPolarHBondContact O-CB 3.42Å
13	D	47.3	Very low	60.9	Low	152 Å²	152	80.3 Å²	80.3	81%	0.813	45%	0.447	S	S	*	.			trans	-145.2	49.9	172.8	-134.7	8.8	0	0	0	111.3	I11 Q15	I11-D13 VanDerWaalsContact C-N 3.26Å; I11-D13 PolarHBondContact O-N 3.28Å; I11-D13 VanDerWaalsContact O-N 3.09Å; D13-Q15 PolarHBondContact O-N 3.28Å
14	V	47.8	Very low	63.3	Low	72 Å²	72	75.2 Å²	75.2	44%	0.436	42%	0.416	S	S	.	.			trans	-74.6	107.9	165.8	179.8	0	0	0	0	106.8	I11 D16	I11-V14 HydrophobicContact CG2-CG2 4.41Å; V14-D16 PolarHBondContact O-N 3.47Å
15	Q	57.6	Low	65.9	Low	61 Å²	61	71.8 Å²	71.8	29%	0.285	39%	0.392	S	S	.	.			trans	-66.1	122.5	168.3	-136.1	162.3	1	0	0	108	D13 G17 Y41 S230 T233	D13-Q15 PolarHBondContact O-N 3.28Å; Q15-G17 PolarHBondContact O-N 3.07Å; Q15-Y41 HydrophobicContact CB-CD1 4.34Å; Q15-Y41 HydrophobicContact CB-CE1 4.02Å; Q15-S230 PolarHBondContact OE1-OG 3.03Å; Q15-T233 PolarHBondContact NE2-OG1 3.33Å; Q15-T233 PolarHBondContact OE1-OG1 3.31Å
16	D	71.1	Confident	68.2	Low	160 Å²	160	69.1 Å²	69.1	86%	0.856	38%	0.376	S	S	*	.			trans	-65	102.1	-179.8	-82.1	-36.3	0	0	0	110.2	V14	V14-D16 PolarHBondContact O-N 3.47Å
17	G	90.4	Very high	70.7	Confident	9 Å²	9	62.4 Å²	62.4	9%	0.093	35%	0.348	C	S	.	.			trans	76.2	168.9	168.5	0	0	0	0	0	116.2	Q15 N96	Q15-G17 PolarHBondContact O-N 3.07Å; G17-N96 WeakPolarHBondContact CA-O 3.36Å
18	I	96.3	Very high	73.4	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	138.4	171.6	-167.7	72.1	0	0	0	109.3	A20 Y41 V43 N96 G97 F98 L99 D125 F229 T233	I18-A20 HydrophobicContact CG1-CB 3.93Å; I18-Y41 HydrophobicContact CB-CD1 4.22Å; I18-Y41 HydrophobicContact CB-CG 4.31Å; I18-Y41 HydrophobicContact CG2-CD1 4.31Å; I18-Y41 HydrophobicContact CG2-CD2 4.36Å; I18-Y41 HydrophobicContact CG2-CG 3.89Å; I18-V43 HydrophobicContact CG2-CG1 4.05Å; I18-V43 HydrophobicContact CG2-CG2 3.9Å; I18-V43 WeakPolarHBondContact O-CG1 3.13Å; I18-N96 PolarHBondContact N-O 3.16Å; I18-G97 CarbonylContact O-C 3.58Å; I18-G97 WeakPolarHBondContact O-CA 3.43Å; I18-F98 PolarHBondContact O-N 3.16Å; I18-F98 VanDerWaalsContact O-O 3.12Å; I18-L99 HydrophobicContact CG2-CD2 3.97Å; I18-D125 HydrophobicContact CD1-CB 3.66Å; I18-D125 HydrophobicContact CG1-CB 4.48Å; I18-F229 HydrophobicContact CD1-CB 4.19Å; I18-F229 HydrophobicContact CD1-CD1 4.27Å; I18-F229 HydrophobicContact CD1-CD2 4.49Å; I18-F229 HydrophobicContact CD1-CG 4.1Å; I18-F229 HydrophobicContact CG1-CD1 4.27Å; I18-F229 HydrophobicContact CG1-CD2 4.07Å; I18-F229 HydrophobicContact CG1-CE1 4.36Å; I18-F229 HydrophobicContact CG1-CE2 4.19Å; I18-F229 HydrophobicContact CG1-CG 4.11Å; I18-F229 HydrophobicContact CG1-CZ 4.34Å; I18-F229 HydrophobicContact CG2-CE2 4.34Å; I18-T233 HydrophobicContact CD1-CG2 3.52Å
19	R	97.6	Very high	76.3	Confident	61 Å²	61	49 Å²	49	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	99.3	167.1	-66.5	179	-175.3	83.6	-4.9	108	F98 E122 K123 L124 D125 S126	R19-F98 WeakPolarHBondContact CA-O 3.5Å; R19-F98 HydrophobicContact CB-CD1 4.38Å; R19-F98 HydrophobicContact CB-CE1 3.9Å; R19-F98 HydrophobicContact CB-CE2 4.15Å; R19-F98 HydrophobicContact CB-CZ 3.76Å; R19-F98 HydrophobicContact CG-CD1 3.92Å; R19-F98 HydrophobicContact CG-CE1 3.61Å; R19-F98 HydrophobicContact CG-CZ 4.03Å; R19-E122 IonicContact CZ-OE1 3.35Å; R19-E122 IonicContact NE-OE1 3.03Å; R19-E122 PolarHBondContact NE-OE1 3.36Å; R19-E122 IonicContact NH2-OE1 3.84Å; R19-E122 PolarHBondContact NH2-OE1 2.91Å; R19-K123 WeakPolarHBondContact CD-O 3.38Å; R19-L124 HydrophobicContact CB-CD1 4.39Å; R19-L124 VanDerWaalsContact O-CD1 3.23Å; R19-L124 WeakPolarHBondContact O-CD1 3.46Å; R19-D125 PolarHBondContact N-OD2 2.74Å; R19-D125 PolarHBondContact O-N 3.35Å; R19-S126 PolarHBondContact O-N 2.98Å
20	A	98.1	Very high	79.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.2	-174.9	0	0	0	0	0	114.3	I18 F98 L99 L100 S126 F229	I18-A20 HydrophobicContact CG1-CB 3.93Å; A20-F98 PolarHBondContact N-O 3.45Å; A20-L99 HydrophobicContact CB-CD2 3.86Å; A20-L99 WeakPolarHBondContact O-CA 3.34Å; A20-L100 PolarHBondContact O-N 3.48Å; A20-S126 CarbonylContact C-O 3.6Å; A20-S126 WeakPolarHBondContact CA-O 3.13Å; A20-S126 VanDerWaalsContact CB-O 3.3Å; A20-S126 WeakPolarHBondContact CB-O 3.5Å; A20-F229 HydrophobicContact CB-CE1 3.52Å; A20-F229 HydrophobicContact CB-CZ 3.55Å
21	I	98.3	Very high	81.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.2	173.9	-63	167.2	0	0	0	108.9	L23 L100 P104 L113 L124 S126 V127 I128 Y203	I21-L23 HydrophobicContact CG2-CD2 3.64Å; I21-L23 HydrophobicContact CG2-CG 3.86Å; I21-L100 HydrophobicContact CG1-CB 4.2Å; I21-L100 HydrophobicContact CG1-CD1 4.13Å; I21-P104 HydrophobicContact CD1-CG 4.33Å; I21-L113 HydrophobicContact CD1-CD2 3.7Å; I21-L113 HydrophobicContact CG1-CD2 4.37Å; I21-L124 HydrophobicContact CD1-CD1 4.17Å; I21-L124 HydrophobicContact CD1-CD2 3.38Å; I21-L124 HydrophobicContact CD1-CG 4.45Å; I21-L124 HydrophobicContact CG1-CD1 3.93Å; I21-L124 HydrophobicContact CG1-CD2 3.86Å; I21-S126 PolarHBondContact N-O 3.21Å; I21-V127 HydrophobicContact CB-CG1 4.24Å; I21-V127 HydrophobicContact CB-CG2 4.14Å; I21-V127 HydrophobicContact CD1-CG2 4.13Å; I21-V127 HydrophobicContact CG2-CG1 4.34Å; I21-I128 PolarHBondContact O-N 3.34Å; I21-Y203 HydrophobicContact CD1-CE1 4.23Å; I21-Y203 HydrophobicContact CD1-CE2 4.1Å; I21-Y203 WeakPolarHBondContact CD1-OH 3.47Å
22	L	97.7	Very high	83.9	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.6	171.8	-51.5	-178.1	0	0	0	109.2	K30 A34 L100 I128 F130 F229	L22-K30 HydrophobicContact CB-CD 4.05Å; L22-K30 HydrophobicContact CB-CG 4.33Å; L22-K30 VanDerWaalsContact O-CD 3.25Å; L22-K30 WeakPolarHBondContact O-CD 3.39Å; L22-A34 HydrophobicContact CD1-CB 3.52Å; L22-L100 PolarHBondContact N-O 3.09Å; L22-I128 HydrophobicContact CD2-CB 4.07Å; L22-I128 HydrophobicContact CD2-CG1 4.39Å; L22-F130 HydrophobicContact CB-CE2 4.12Å; L22-F130 HydrophobicContact CD2-CE2 4.16Å; L22-F229 HydrophobicContact CD2-CZ 4.42Å
23	L	96.1	Very high	86.6	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	148.2	173.6	-63	-175.6	0	0	0	110.8	I21 V127 I128 E129 F130 T196 L199 Y203	I21-L23 HydrophobicContact CG2-CD2 3.64Å; I21-L23 HydrophobicContact CG2-CG 3.86Å; L23-V127 HydrophobicContact CD1-CG1 3.45Å; L23-V127 VanDerWaalsContact CD1-CG1 3.45Å; L23-V127 HydrophobicContact CG-CG1 3.72Å; L23-I128 PolarHBondContact N-O 2.88Å; L23-E129 CarbonylContact O-C 3.56Å; L23-E129 WeakPolarHBondContact O-CA 3.35Å; L23-F130 VanDerWaalsContact O-CD2 3.31Å; L23-F130 WeakPolarHBondContact O-CD2 3.04Å; L23-F130 PolarHBondContact O-N 3.17Å; L23-T196 HydrophobicContact CD2-CG2 4.38Å; L23-L199 HydrophobicContact CD1-CB 3.96Å; L23-L199 HydrophobicContact CD2-CD1 4.13Å; L23-Y203 HydrophobicContact CD1-CD2 4.06Å; L23-Y203 HydrophobicContact CD1-CE2 4.38Å
24	G	94.6	Very high	88.9	Confident	8 Å²	8	26.3 Å²	26.3	8%	0.082	16%	0.158	C	C	.	.			trans	156.4	159.2	175.6	0	0	0	0	0	111.8	K30 Y192	G24-K30 PolarHBondContact O-NZ 3.27Å; G24-Y192 VanDerWaalsContact CA-OH 3.29Å; G24-Y192 WeakPolarHBondContact CA-OH 3.43Å; G24-Y192 VanDerWaalsContact O-CE2 3.3Å; G24-Y192 WeakPolarHBondContact O-CE2 3.4Å
25	P	93.2	Very high	90.9	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.032	15%	0.152	C	C	.	.			trans	-69.1	164.6	179.5	27.9	-33.2	0	0	0	112	G27 A28 K30 V132 L137 L189 Y192	P25-G27 PolarHBondContact O-N 2.99Å; P25-A28 HydrophobicContact CG-CB 4.05Å; P25-A28 VanDerWaalsContact O-CB 3.27Å; P25-A28 WeakPolarHBondContact O-CB 3.37Å; P25-A28 PolarHBondContact O-N 3.31Å; P25-K30 PolarHBondContact O-NZ 3.5Å; P25-V132 HydrophobicContact CG-CG1 4.02Å; P25-L137 HydrophobicContact CB-CD1 3.61Å; P25-L137 HydrophobicContact CG-CD1 3.42Å; P25-L137 VanDerWaalsContact CG-CD1 3.42Å; P25-L137 HydrophobicContact CG-CD2 4.44Å; P25-L189 HydrophobicContact CB-CD2 3.68Å; P25-Y192 HydrophobicContact CB-CD1 3.97Å; P25-Y192 HydrophobicContact CB-CD2 4.42Å; P25-Y192 HydrophobicContact CB-CE1 4.12Å; P25-Y192 HydrophobicContact CB-CG 4.13Å; P25-Y192 HydrophobicContact CG-CE1 4.39Å
26	P	89.9	Confident	92.6	Very high	30 Å²	30	26.4 Å²	26.4	20%	0.195	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	133.3	170.8	-18.6	29.7	0	0	0	110.7	A28 I141 L185 R188	P26-A28 VanDerWaalsContact C-N 3.34Å; P26-I141 HydrophobicContact CB-CD1 4.17Å; P26-L185 HydrophobicContact CB-CD1 4.07Å; P26-L185 HydrophobicContact CG-CD1 4.45Å; P26-R188 HydrophobicContact CG-CB 3.85Å
27	G	90.9	Very high	93.8	Very high	14 Å²	14	18.8 Å²	18.8	14%	0.144	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-3	180	0	0	0	0	0	114.5	P25 G29 L137 R140	P25-G27 PolarHBondContact O-N 2.99Å; G27-G29 PolarHBondContact O-N 3.45Å; G27-L137 VanDerWaalsContact C-CD2 3.47Å; G27-R140 VanDerWaalsContact O-CD 3.3Å; G27-R140 WeakPolarHBondContact O-CD 3.33Å
28	A	94.1	Very high	94	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.017	11%	0.114	C	C	.	.	S	Bend	trans	-70.1	-10.2	179.3	0	0	0	0	0	114.6	P25 P26 F130 V132 L137 A214	P25-A28 HydrophobicContact CG-CB 4.05Å; P25-A28 VanDerWaalsContact O-CB 3.27Å; P25-A28 WeakPolarHBondContact O-CB 3.37Å; P25-A28 PolarHBondContact O-N 3.31Å; P26-A28 VanDerWaalsContact C-N 3.34Å; A28-F130 HydrophobicContact CB-CB 3.74Å; A28-F130 WeakPolarHBondContact O-CD1 3.41Å; A28-V132 HydrophobicContact CB-CG1 3.73Å; A28-L137 HydrophobicContact CB-CD2 4.38Å; A28-A214 WeakPolarHBondContact O-CB 3.38Å
29	G	92.2	Very high	93.8	Very high	22 Å²	22	26.4 Å²	26.4	23%	0.227	15%	0.148	C	C	.	.	S	Bend	trans	103.2	7.5	176.8	0	0	0	0	0	115.8	G27 G31 T32 Q33	G27-G29 PolarHBondContact O-N 3.45Å; G29-G31 PolarHBondContact O-N 3.03Å; G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 3.46Å; G29-Q33 PolarHBondContact O-N 3.03Å; G29-Q33 VanDerWaalsContact O-N 3.15Å
30	K	93.1	Very high	93.7	Very high	22 Å²	22	27.1 Å²	27.1	10%	0.096	15%	0.153	C	C	.	.	H	α-helix	trans	-50.2	-53	175.3	-64.7	-172.2	-61.4	-69	0	113	L22 G24 P25 T32 Q33 A34 D101 F130	L22-K30 HydrophobicContact CB-CD 4.05Å; L22-K30 HydrophobicContact CB-CG 4.33Å; L22-K30 VanDerWaalsContact O-CD 3.25Å; L22-K30 WeakPolarHBondContact O-CD 3.39Å; G24-K30 PolarHBondContact O-NZ 3.27Å; P25-K30 PolarHBondContact O-NZ 3.5Å; K30-T32 PolarHBondContact O-N 2.92Å; K30-T32 VanDerWaalsContact O-N 3.11Å; K30-Q33 PolarHBondContact O-N 3.46Å; K30-A34 WeakPolarHBondContact O-CB 3.47Å; K30-A34 PolarHBondContact O-N 2.96Å; K30-D101 WeakPolarHBondContact CD-OD1 3.43Å; K30-D101 WeakPolarHBondContact CE-OD1 3.46Å; K30-F130 HydrophobicContact CG-CD1 4.38Å; K30-F130 HydrophobicContact CG-CD2 3.85Å; K30-F130 HydrophobicContact CG-CE1 4.44Å; K30-F130 HydrophobicContact CG-CE2 3.93Å; K30-F130 HydrophobicContact CG-CG 4.09Å; K30-F130 HydrophobicContact CG-CZ 4.22Å
31	G	88	Confident	93.5	Very high	27 Å²	27	27.3 Å²	27.3	28%	0.278	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-16	178.9	0	0	0	0	0	115	G29 P35	G29-G31 PolarHBondContact O-N 3.03Å; G31-P35 VanDerWaalsContact O-CD 3.27Å; G31-P35 WeakPolarHBondContact O-CD 3.46Å
32	T	90.1	Very high	93.4	Very high	46 Å²	46	30.8 Å²	30.8	28%	0.282	18%	0.177	S	C	.	.	H	α-helix	trans	-82.6	-37.1	171.6	-56.5	0	0	0	0	111.4	G29 K30 R36 P218	G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 3.46Å; K30-T32 PolarHBondContact O-N 2.92Å; K30-T32 VanDerWaalsContact O-N 3.11Å; T32-R36 WeakPolarHBondContact O-CD 3.41Å; T32-P218 HydrophobicContact CG2-CB 4.36Å
33	Q	94.6	Very high	93.3	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-88.2	-38.5	-176.9	-57.7	-57.4	-7	0	0	113.2	G29 K30 R36 L37 F130 P218 V221 I225	G29-Q33 PolarHBondContact O-N 3.03Å; G29-Q33 VanDerWaalsContact O-N 3.15Å; K30-Q33 PolarHBondContact O-N 3.46Å; Q33-R36 WeakPolarHBondContact O-CB 3.45Å; Q33-R36 PolarHBondContact O-N 3.04Å; Q33-R36 VanDerWaalsContact O-N 3.07Å; Q33-R36 VanDerWaalsContact OE1-NH1 3.14Å; Q33-L37 HydrophobicContact CB-CD1 4.01Å; Q33-L37 WeakPolarHBondContact O-CG 3.49Å; Q33-L37 PolarHBondContact O-N 3.38Å; Q33-F130 HydrophobicContact CB-CE1 4.21Å; Q33-F130 HydrophobicContact CB-CZ 3.99Å; Q33-F130 HydrophobicContact CG-CE1 3.71Å; Q33-F130 HydrophobicContact CG-CZ 3.98Å; Q33-P218 PolarHBondContact NE2-O 3.47Å; Q33-V221 HydrophobicContact CG-CG1 4.06Å; Q33-I225 HydrophobicContact CB-CD1 4.17Å; Q33-I225 HydrophobicContact CG-CD1 4.09Å
34	A	94.6	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-45	-171.2	0	0	0	0	0	113.5	L22 K30 R36 L37 A38 H45 L99	L22-A34 HydrophobicContact CD1-CB 3.52Å; K30-A34 WeakPolarHBondContact O-CB 3.47Å; K30-A34 PolarHBondContact O-N 2.96Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-R36 PolarHBondContact O-N 3.01Å; A34-L37 PolarHBondContact O-N 3.03Å; A34-A38 VanDerWaalsContact O-CB 3.25Å; A34-A38 WeakPolarHBondContact O-CB 3.34Å; A34-A38 PolarHBondContact O-N 2.73Å; A34-H45 VanDerWaalsContact CB-NE2 3.3Å; A34-H45 WeakPolarHBondContact CB-NE2 2.95Å; A34-L99 WeakPolarHBondContact O-CD1 3.42Å
35	P	91.6	Very high	93.2	Very high	46 Å²	46	34 Å²	34	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-37.8	176.4	-22.8	35.2	0	0	0	113	G31 A38 E39	G31-P35 VanDerWaalsContact O-CD 3.27Å; G31-P35 WeakPolarHBondContact O-CD 3.46Å; P35-A38 PolarHBondContact O-N 2.66Å; P35-E39 WeakPolarHBondContact O-CB 3.47Å; P35-E39 PolarHBondContact O-N 3.48Å
36	R	92.9	Very high	93.2	Very high	88 Å²	88	34 Å²	34	33%	0.332	19%	0.192	S	C	.	.	H	α-helix	trans	-68.1	-39	179.1	-61.1	172	65.5	-162.2	4.6	111.6	T32 Q33 A34 K40 P218 F222	T32-R36 WeakPolarHBondContact O-CD 3.41Å; Q33-R36 WeakPolarHBondContact O-CB 3.45Å; Q33-R36 PolarHBondContact O-N 3.04Å; Q33-R36 VanDerWaalsContact O-N 3.07Å; Q33-R36 VanDerWaalsContact OE1-NH1 3.14Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-R36 PolarHBondContact O-N 3.01Å; R36-K40 WeakPolarHBondContact O-CB 3.29Å; R36-K40 PolarHBondContact O-N 3.29Å; R36-P218 PolarHBondContact NH1-O 3.36Å; R36-P218 VanDerWaalsContact NH1-O 3.11Å; R36-F222 HydrophobicContact CB-CD2 4.01Å; R36-F222 HydrophobicContact CB-CE2 3.56Å; R36-F222 HydrophobicContact CB-CZ 4.44Å
37	L	95.6	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.5	-43.5	176	-68.6	165.5	0	0	0	110.3	Q33 A34 E39 K40 Y41 L99 F222 I225 V226 F229	Q33-L37 HydrophobicContact CB-CD1 4.01Å; Q33-L37 WeakPolarHBondContact O-CG 3.49Å; Q33-L37 PolarHBondContact O-N 3.38Å; A34-L37 PolarHBondContact O-N 3.03Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 3.07Å; L37-K40 PolarHBondContact O-N 3.31Å; L37-K40 VanDerWaalsContact O-N 3.16Å; L37-Y41 HydrophobicContact CD2-CE2 4.17Å; L37-Y41 WeakPolarHBondContact O-CD2 3.39Å; L37-Y41 PolarHBondContact O-N 3.46Å; L37-L99 HydrophobicContact CB-CD1 3.46Å; L37-L99 VanDerWaalsContact CB-CD1 3.46Å; L37-F222 HydrophobicContact CD2-CD2 3.98Å; L37-F222 HydrophobicContact CD2-CE2 3.62Å; L37-F222 HydrophobicContact CD2-CZ 4.29Å; L37-F222 HydrophobicContact CG-CD2 4.18Å; L37-F222 HydrophobicContact CG-CE2 3.87Å; L37-I225 HydrophobicContact CD1-CB 4.44Å; L37-I225 HydrophobicContact CD1-CD1 4.1Å; L37-I225 HydrophobicContact CD1-CG2 3.67Å; L37-I225 HydrophobicContact CD2-CB 4.34Å; L37-I225 HydrophobicContact CD2-CG2 3.78Å; L37-I225 HydrophobicContact CG-CG2 4.39Å; L37-V226 HydrophobicContact CD2-CG2 4.2Å; L37-F229 HydrophobicContact CD1-CE2 4.34Å; L37-F229 HydrophobicContact CD2-CD2 4.43Å; L37-F229 HydrophobicContact CD2-CE2 4.09Å
38	A	94.5	Very high	93.2	Very high	12 Å²	12	32.5 Å²	32.5	10%	0.099	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-44.2	176.2	0	0	0	0	0	111.8	A34 P35 C42 V43 H45 L99	A34-A38 VanDerWaalsContact O-CB 3.25Å; A34-A38 WeakPolarHBondContact O-CB 3.34Å; A34-A38 PolarHBondContact O-N 2.73Å; P35-A38 PolarHBondContact O-N 2.66Å; A38-C42 WeakPolarHBondContact O-CA 3.35Å; A38-C42 PolarHBondContact O-N 3.16Å; A38-V43 HydrophobicContact CB-CG2 4.41Å; A38-V43 WeakPolarHBondContact CB-O 3.3Å; A38-V43 PolarHBondContact O-N 3.04Å; A38-H45 HydrophobicContact CB-CB 4.01Å; A38-L99 HydrophobicContact CB-CD1 4.11Å
39	E	93.2	Very high	92.7	Very high	158 Å²	158	33 Å²	33	74%	0.738	19%	0.185	S	C	*	.	H	α-helix	trans	-62.9	-47.7	173.5	-175.4	177.8	-166.6	0	0	112	P35 L37 Y41 C42	P35-E39 WeakPolarHBondContact O-CB 3.47Å; P35-E39 PolarHBondContact O-N 3.48Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-E39 PolarHBondContact O-N 3.07Å; E39-Y41 PolarHBondContact O-N 3.22Å; E39-C42 PolarHBondContact O-N 2.99Å
40	K	94.1	Very high	92.3	Very high	76 Å²	76	34.4 Å²	34.4	33%	0.33	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-40	-178.1	176.9	172.2	169.2	61.6	0	113.5	R36 L37 F222 V226	R36-K40 WeakPolarHBondContact O-CB 3.29Å; R36-K40 PolarHBondContact O-N 3.29Å; L37-K40 PolarHBondContact O-N 3.31Å; L37-K40 VanDerWaalsContact O-N 3.16Å; K40-F222 HydrophobicContact CB-CZ 4.31Å; K40-F222 HydrophobicContact CD-CE1 4.06Å; K40-F222 HydrophobicContact CD-CZ 3.69Å; K40-V226 HydrophobicContact CD-CG2 3.77Å
41	Y	95.3	Very high	91.9	Very high	4 Å²	4	35 Å²	35	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-99.5	3.5	-176.9	-67.8	-88.3	0	0	0	112.9	Q15 I18 L37 E39 V43 V226 F229	Q15-Y41 HydrophobicContact CB-CD1 4.34Å; Q15-Y41 HydrophobicContact CB-CE1 4.02Å; I18-Y41 HydrophobicContact CB-CD1 4.22Å; I18-Y41 HydrophobicContact CB-CG 4.31Å; I18-Y41 HydrophobicContact CG2-CD1 4.31Å; I18-Y41 HydrophobicContact CG2-CD2 4.36Å; I18-Y41 HydrophobicContact CG2-CG 3.89Å; L37-Y41 HydrophobicContact CD2-CE2 4.17Å; L37-Y41 WeakPolarHBondContact O-CD2 3.39Å; L37-Y41 PolarHBondContact O-N 3.46Å; E39-Y41 PolarHBondContact O-N 3.22Å; Y41-V43 VanDerWaalsContact C-N 3.29Å; Y41-V43 WeakPolarHBondContact O-CG1 3.46Å; Y41-V43 PolarHBondContact O-N 3.33Å; Y41-V226 HydrophobicContact CE2-CG2 4.41Å; Y41-F229 HydrophobicContact CD2-CD2 4.18Å; Y41-F229 HydrophobicContact CE1-CB 4.41Å; Y41-F229 HydrophobicContact CE1-CD2 4.43Å; Y41-F229 AromaticContact CE2-CD2 3.59Å; Y41-F229 HydrophobicContact CE2-CD2 3.59Å; Y41-F229 HydrophobicContact CE2-CE2 4.26Å; Y41-F229 AromaticContact CZ-CD2 3.73Å
42	C	94.8	Very high	91.8	Very high	73 Å²	73	34.2 Å²	34.2	49%	0.493	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	42.2	-178.5	-63.8	0	0	0	0	113.5	A38 E39 N96	A38-C42 WeakPolarHBondContact O-CA 3.35Å; A38-C42 PolarHBondContact O-N 3.16Å; E39-C42 PolarHBondContact O-N 2.99Å; C42-N96 VanDerWaalsContact O-CB 3.25Å; C42-N96 WeakPolarHBondContact O-CB 3.38Å; C42-N96 PolarHBondContact O-ND2 3.5Å
43	V	95.8	Very high	91.5	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.073	18%	0.178	C	C	.	.			trans	-115.7	161.7	-177.7	-63.3	0	0	0	0	112.1	I18 A38 Y41 N96 G97 L99	I18-V43 HydrophobicContact CG2-CG1 4.05Å; I18-V43 HydrophobicContact CG2-CG2 3.9Å; I18-V43 WeakPolarHBondContact O-CG1 3.13Å; A38-V43 HydrophobicContact CB-CG2 4.41Å; A38-V43 WeakPolarHBondContact CB-O 3.3Å; A38-V43 PolarHBondContact O-N 3.04Å; Y41-V43 VanDerWaalsContact C-N 3.29Å; Y41-V43 WeakPolarHBondContact O-CG1 3.46Å; Y41-V43 PolarHBondContact O-N 3.33Å; V43-N96 HydrophobicContact CG1-CB 4.2Å; V43-N96 VanDerWaalsContact CG1-O 3.27Å; V43-N96 WeakPolarHBondContact CG1-O 3.38Å; V43-G97 WeakPolarHBondContact CB-O 3.29Å; V43-L99 HydrophobicContact CG2-CD1 4.24Å; V43-L99 HydrophobicContact CG2-CG 3.87Å
44	C	94.4	Very high	91	Very high	11 Å²	11	38 Å²	38	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.6	175.1	69.1	0	0	0	0	111.6	L46 A93 C94 G97 F98 L99	C44-L46 HydrophobicContact CB-CD2 4.5Å; C44-A93 HydrophobicContact CB-CB 4.1Å; C44-A93 PolarHBondContact N-O 2.97Å; C44-C94 HydrophobicContact CB-CB 4.02Å; C44-C94 WeakPolarHBondContact CB-SG 3.47Å; C44-C94 WeakPolarHBondContact SG-CA 3.3Å; C44-C94 WeakPolarHBondContact SG-CB 3.38Å; C44-C94 CovalentContact SG-SG 2.03Å; C44-C94 PolarHBondContact SG-SG 2.83Å; C44-G97 PolarHBondContact N-O 2.82Å; C44-F98 CarbonylContact O-C 3.41Å; C44-F98 WeakPolarHBondContact O-CA 3.46Å; C44-F98 VanDerWaalsContact SG-CB 3.53Å; C44-L99 PolarHBondContact O-N 3.5Å
45	H	94.7	Very high	90.5	Very high	60 Å²	60	40.2 Å²	40.2	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.8	170.5	173.9	-147.6	0	0	0	109.7	A34 A38 D101	A34-H45 VanDerWaalsContact CB-NE2 3.3Å; A34-H45 WeakPolarHBondContact CB-NE2 2.95Å; A38-H45 HydrophobicContact CB-CB 4.01Å; H45-D101 WeakPolarHBondContact NE2-CB 3.46Å; H45-D101 IonicContact NE2-OD2 2.99Å; H45-D101 PolarHBondContact NE2-OD2 2.88Å
46	L	93.9	Very high	90.3	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	83	-178.6	-60.7	-176	0	0	0	110.1	C44 T48 M51 N88 L89 F98 L99 L100 D101	C44-L46 HydrophobicContact CB-CD2 4.5Å; L46-T48 PolarHBondContact O-N 3.26Å; L46-M51 HydrophobicContact CB-CE 4.48Å; L46-N88 HydrophobicContact CD1-CB 4.31Å; L46-N88 HydrophobicContact CD2-CB 3.64Å; L46-L89 HydrophobicContact CD1-CD2 3.76Å; L46-L89 HydrophobicContact CD1-CG 4.4Å; L46-F98 HydrophobicContact CD1-CB 4.18Å; L46-L99 PolarHBondContact N-O 3.42Å; L46-L100 HydrophobicContact CB-CD2 3.87Å; L46-L100 HydrophobicContact CD1-CD2 3.97Å; L46-D101 PolarHBondContact O-N 3.2Å
47	A	91.7	Very high	89.8	Confident	9 Å²	9	38.6 Å²	38.6	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	95.3	175	0	0	0	0	0	111.4	G49 D50 M51 D101	A47-G49 PolarHBondContact O-N 2.96Å; A47-D50 HydrophobicContact CB-CB 4.02Å; A47-D50 PolarHBondContact O-N 2.97Å; A47-M51 WeakPolarHBondContact O-CG 3.44Å; A47-M51 PolarHBondContact O-N 3.44Å; A47-D101 HydrophobicContact CB-CB 4.4Å
48	T	87.6	Confident	89.3	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-56	-37.6	-178.9	54.4	0	0	0	0	113.1	L46 D50 M51 L52 V81 I85 D101 G102 F103	L46-T48 PolarHBondContact O-N 3.26Å; T48-D50 VanDerWaalsContact C-N 3.31Å; T48-D50 PolarHBondContact O-N 3.43Å; T48-M51 HydrophobicContact CG2-CE 3.75Å; T48-M51 PolarHBondContact O-N 3.41Å; T48-L52 WeakPolarHBondContact O-CB 3.37Å; T48-L52 WeakPolarHBondContact O-CG 3.23Å; T48-L52 PolarHBondContact O-N 3.02Å; T48-V81 HydrophobicContact CG2-CG1 3.9Å; T48-I85 HydrophobicContact CG2-CD1 4.04Å; T48-I85 HydrophobicContact CG2-CG1 4.22Å; T48-D101 PolarHBondContact N-O 3.18Å; T48-D101 VanDerWaalsContact N-O 3.12Å; T48-D101 PolarHBondContact OG1-O 3.11Å; T48-G102 PolarHBondContact OG1-O 2.98Å; T48-F103 HydrophobicContact CG2-CB 3.56Å; T48-F103 HydrophobicContact CG2-CG 4.34Å
49	G	84.4	Confident	88.7	Confident	11 Å²	11	43.4 Å²	43.4	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-36.9	175.6	0	0	0	0	0	113.5	A47 R53	A47-G49 PolarHBondContact O-N 2.96Å; G49-R53 WeakPolarHBondContact O-CB 3.34Å; G49-R53 WeakPolarHBondContact O-CG 3.5Å; G49-R53 VanDerWaalsContact O-CZ 3.26Å; G49-R53 PolarHBondContact O-N 3.38Å; G49-R53 PolarHBondContact O-NE 3.37Å; G49-R53 PolarHBondContact O-NH2 3.41Å
50	D	83.7	Confident	88.2	Confident	53 Å²	53	38.3 Å²	38.3	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-78.6	-39.3	179	-68.4	-29.9	0	0	0	111.7	A47 T48 L52 R53 A54 R177	A47-D50 HydrophobicContact CB-CB 4.02Å; A47-D50 PolarHBondContact O-N 2.97Å; T48-D50 VanDerWaalsContact C-N 3.31Å; T48-D50 PolarHBondContact O-N 3.43Å; D50-L52 VanDerWaalsContact C-N 3.33Å; D50-L52 PolarHBondContact O-N 2.89Å; D50-R53 PolarHBondContact O-N 2.75Å; D50-R53 IonicContact OD1-CZ 3.92Å; D50-R53 VanDerWaalsContact OD1-CZ 3.31Å; D50-R53 IonicContact OD1-NE 3.07Å; D50-R53 PolarHBondContact OD1-NE 3.22Å; D50-R53 VanDerWaalsContact OD1-NE 3.08Å; D50-R53 IonicContact OD1-NH2 2.63Å; D50-R53 PolarHBondContact OD1-NH2 3.32Å; D50-A54 WeakPolarHBondContact O-CB 3.27Å; D50-A54 PolarHBondContact O-N 2.96Å; D50-R177 IonicContact OD1-CZ 2.73Å; D50-R177 IonicContact OD1-NH2 3.89Å; D50-R177 PolarHBondContact OD1-NH2 3.12Å; D50-R177 IonicContact OD2-NH2 3.38Å
51	M	85.3	Confident	87.7	Confident	34 Å²	34	40.9 Å²	40.9	17%	0.167	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-43.4	172.9	-61.3	-172.8	-71.6	0	0	111.5	L46 A47 T48 A54 M55 L84	L46-M51 HydrophobicContact CB-CE 4.48Å; A47-M51 WeakPolarHBondContact O-CG 3.44Å; A47-M51 PolarHBondContact O-N 3.44Å; T48-M51 HydrophobicContact CG2-CE 3.75Å; T48-M51 PolarHBondContact O-N 3.41Å; M51-A54 PolarHBondContact O-N 3.34Å; M51-M55 PolarHBondContact O-N 3.29Å; M51-M55 VanDerWaalsContact O-N 3.11Å; M51-L84 HydrophobicContact CB-CD2 3.79Å; M51-L84 HydrophobicContact CE-CD2 3.99Å; M51-L84 HydrophobicContact CE-CG 4.17Å; M51-L84 HydrophobicContact SD-CD1 4.41Å; M51-L84 HydrophobicContact SD-CD2 4.23Å; M51-L84 HydrophobicContact SD-CG 4.14Å
52	L	85.7	Confident	86.9	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-42.7	174.4	-69.3	170.6	0	0	0	112.2	T48 D50 A54 M55 V56 L66 M70 V76	T48-L52 WeakPolarHBondContact O-CB 3.37Å; T48-L52 WeakPolarHBondContact O-CG 3.23Å; T48-L52 PolarHBondContact O-N 3.02Å; D50-L52 VanDerWaalsContact C-N 3.33Å; D50-L52 PolarHBondContact O-N 2.89Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 2.95Å; L52-M55 HydrophobicContact CD2-CE 3.77Å; L52-M55 WeakPolarHBondContact O-CB 3.4Å; L52-M55 PolarHBondContact O-N 3Å; L52-V56 WeakPolarHBondContact O-CG2 3.34Å; L52-V56 PolarHBondContact O-N 3.18Å; L52-L66 HydrophobicContact CD2-CD1 4.25Å; L52-L66 HydrophobicContact CD2-CD2 4.19Å; L52-M70 HydrophobicContact CB-CE 3.92Å; L52-M70 HydrophobicContact CB-SD 3.75Å; L52-V76 HydrophobicContact CD1-CB 4.46Å; L52-V76 HydrophobicContact CD1-CG2 3.83Å; L52-V76 HydrophobicContact CD2-CB 4.47Å; L52-V76 HydrophobicContact CD2-CG1 4.32Å; L52-V76 HydrophobicContact CD2-CG2 4.02Å
53	R	84.3	Confident	86.4	Confident	65 Å²	65	41.4 Å²	41.4	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-37.4	175.7	-82.2	-178.4	-78.3	-93.9	-5.5	112.7	G49 D50 M55 V56 A57 M70 R177 D179	G49-R53 WeakPolarHBondContact O-CB 3.34Å; G49-R53 WeakPolarHBondContact O-CG 3.5Å; G49-R53 VanDerWaalsContact O-CZ 3.26Å; G49-R53 PolarHBondContact O-N 3.38Å; G49-R53 PolarHBondContact O-NE 3.37Å; G49-R53 PolarHBondContact O-NH2 3.41Å; D50-R53 PolarHBondContact O-N 2.75Å; D50-R53 IonicContact OD1-CZ 3.92Å; D50-R53 VanDerWaalsContact OD1-CZ 3.31Å; D50-R53 IonicContact OD1-NE 3.07Å; D50-R53 PolarHBondContact OD1-NE 3.22Å; D50-R53 VanDerWaalsContact OD1-NE 3.08Å; D50-R53 IonicContact OD1-NH2 2.63Å; D50-R53 PolarHBondContact OD1-NH2 3.32Å; R53-M55 VanDerWaalsContact C-N 3.34Å; R53-V56 WeakPolarHBondContact O-CB 3.15Å; R53-V56 PolarHBondContact O-N 2.82Å; R53-A57 WeakPolarHBondContact O-CB 3.48Å; R53-A57 PolarHBondContact O-N 3.43Å; R53-M70 HydrophobicContact CG-CE 3.7Å; R53-R177 VanDerWaalsContact NH2-NH2 3.17Å; R53-D179 IonicContact NH1-OD2 2.65Å
54	A	83.4	Confident	85.9	Confident	66 Å²	66	48.9 Å²	48.9	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-41.4	174.5	0	0	0	0	0	111.3	D50 M51 L52 A57 S58	D50-A54 WeakPolarHBondContact O-CB 3.27Å; D50-A54 PolarHBondContact O-N 2.96Å; M51-A54 PolarHBondContact O-N 3.34Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 2.95Å; A54-A57 PolarHBondContact O-N 2.91Å; A54-S58 PolarHBondContact O-N 2.75Å; A54-S58 VanDerWaalsContact O-N 3.15Å
55	M	83.8	Confident	85.2	Confident	47 Å²	47	55.8 Å²	55.8	23%	0.232	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-40	172.9	-73.6	-171.2	-84.6	0	0	112.5	M51 L52 R53 A57 S58 G63 L66 M80 L84	M51-M55 PolarHBondContact O-N 3.29Å; M51-M55 VanDerWaalsContact O-N 3.11Å; L52-M55 HydrophobicContact CD2-CE 3.77Å; L52-M55 WeakPolarHBondContact O-CB 3.4Å; L52-M55 PolarHBondContact O-N 3Å; R53-M55 VanDerWaalsContact C-N 3.34Å; M55-A57 VanDerWaalsContact C-N 3.33Å; M55-A57 PolarHBondContact O-N 3.07Å; M55-S58 WeakPolarHBondContact O-CB 3.25Å; M55-S58 PolarHBondContact O-N 3.49Å; M55-S58 PolarHBondContact O-OG 3.13Å; M55-G63 WeakPolarHBondContact O-CA 3.38Å; M55-L66 HydrophobicContact CB-CD1 3.91Å; M55-L66 HydrophobicContact SD-CD1 4.44Å; M55-M80 HydrophobicContact CE-CE 4.27Å; M55-M80 HydrophobicContact SD-CE 4.1Å; M55-L84 HydrophobicContact CE-CD1 4.11Å; M55-L84 HydrophobicContact CE-CD2 3.65Å; M55-L84 HydrophobicContact CE-CG 4.49Å
56	V	86.4	Confident	84.7	Confident	30 Å²	30	53.2 Å²	53.2	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-44.9	172.6	169.7	0	0	0	0	111.2	L52 R53 S58 G59 L66 K67 M70	L52-V56 WeakPolarHBondContact O-CG2 3.34Å; L52-V56 PolarHBondContact O-N 3.18Å; R53-V56 WeakPolarHBondContact O-CB 3.15Å; R53-V56 PolarHBondContact O-N 2.82Å; V56-S58 PolarHBondContact O-N 3.24Å; V56-G59 PolarHBondContact O-N 2.9Å; V56-L66 HydrophobicContact CG2-CB 3.72Å; V56-K67 HydrophobicContact CG1-CB 3.74Å; V56-K67 HydrophobicContact CG1-CD 4Å; V56-K67 HydrophobicContact CG1-CG 3.99Å; V56-K67 HydrophobicContact CG2-CB 4.23Å; V56-M70 HydrophobicContact CG2-SD 3.89Å
57	A	84.4	Confident	84.3	Confident	70 Å²	70	57 Å²	57	58%	0.579	31%	0.308	S	S	*	.	H	α-helix	trans	-64.9	-23.2	-179.5	0	0	0	0	0	113.5	R53 A54 M55 G59	R53-A57 WeakPolarHBondContact O-CB 3.48Å; R53-A57 PolarHBondContact O-N 3.43Å; A54-A57 PolarHBondContact O-N 2.91Å; M55-A57 VanDerWaalsContact C-N 3.33Å; M55-A57 PolarHBondContact O-N 3.07Å; A57-G59 PolarHBondContact O-N 2.82Å
58	S	83.9	Confident	83.9	Confident	76 Å²	76	63.6 Å²	63.6	53%	0.531	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.2	175.2	76.3	0	0	0	0	113.9	A54 M55 V56 S60	A54-S58 PolarHBondContact O-N 2.75Å; A54-S58 VanDerWaalsContact O-N 3.15Å; M55-S58 WeakPolarHBondContact O-CB 3.25Å; M55-S58 PolarHBondContact O-N 3.49Å; M55-S58 PolarHBondContact O-OG 3.13Å; V56-S58 PolarHBondContact O-N 3.24Å; S58-S60 PolarHBondContact O-N 3.15Å; S58-S60 PolarHBondContact OG-N 2.86Å; S58-S60 PolarHBondContact OG-OG 3.06Å
59	G	82.4	Confident	83.6	Confident	36 Å²	36	65.4 Å²	65.4	37%	0.371	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	6.4	-177.9	0	0	0	0	0	115.1	V56 A57 R64	V56-G59 PolarHBondContact O-N 2.9Å; A57-G59 PolarHBondContact O-N 2.82Å; G59-R64 PolarHBondContact O-NH1 3.02Å; G59-R64 VanDerWaalsContact O-NH1 3.1Å
60	S	83.1	Confident	83.4	Confident	51 Å²	51	66 Å²	66	36%	0.357	35%	0.348	S	S	.	.			trans	-59	160.7	173.3	60.7	0	0	0	0	111.8	S58 L62 G63 R64	S58-S60 PolarHBondContact O-N 3.15Å; S58-S60 PolarHBondContact OG-N 2.86Å; S58-S60 PolarHBondContact OG-OG 3.06Å; S60-L62 PolarHBondContact O-N 3.47Å; S60-G63 WeakPolarHBondContact O-CA 3.46Å; S60-G63 PolarHBondContact O-N 2.88Å; S60-G63 PolarHBondContact OG-N 2.85Å; S60-R64 PolarHBondContact O-N 3.45Å
61	E	82	Confident	83.2	Confident	131 Å²	131	66.7 Å²	66.7	61%	0.612	35%	0.352	S	S	*	.	H	α-helix	trans	-56.3	-42.5	175.4	-172.3	-177.9	167.7	0	0	111.5	R64 R65	E61-R64 PolarHBondContact O-N 3.06Å; E61-R65 PolarHBondContact O-N 2.98Å; E61-R65 IonicContact OE1-CZ 3.22Å; E61-R65 IonicContact OE1-NE 2.81Å; E61-R65 IonicContact OE1-NH2 3.65Å; E61-R65 PolarHBondContact OE1-NH2 3.18Å
62	L	79.6	Confident	82.8	Confident	86 Å²	86	68 Å²	68	45%	0.45	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-47.1	172.6	-176.7	60.7	0	0	0	111.5	S60 R64 R65 L66 M80	S60-L62 PolarHBondContact O-N 3.47Å; L62-R64 VanDerWaalsContact C-N 3.3Å; L62-R64 PolarHBondContact O-N 3.41Å; L62-R65 PolarHBondContact O-N 3.26Å; L62-L66 HydrophobicContact CG-CD1 4.28Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.31Å; L62-L66 PolarHBondContact O-N 2.81Å; L62-M80 HydrophobicContact CD1-CE 3.9Å; L62-M80 HydrophobicContact CD1-SD 4.18Å; L62-M80 HydrophobicContact CD2-CE 3.66Å; L62-M80 HydrophobicContact CG-CE 3.95Å
63	G	84.9	Confident	82.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-57	-39	176.4	0	0	0	0	0	113.6	M55 S60 L66 K67	M55-G63 WeakPolarHBondContact O-CA 3.38Å; S60-G63 WeakPolarHBondContact O-CA 3.46Å; S60-G63 PolarHBondContact O-N 2.88Å; S60-G63 PolarHBondContact OG-N 2.85Å; G63-L66 PolarHBondContact O-N 3.22Å; G63-K67 PolarHBondContact O-N 2.86Å
64	R	83.9	Confident	81.7	Confident	170 Å²	170	71.9 Å²	71.9	64%	0.642	39%	0.386	S	S	*	.	H	α-helix	trans	-65.2	-45	175.8	-75.2	-171.4	172.7	97.7	-3.4	112.5	G59 S60 E61 L62 L66 K67 E68	G59-R64 PolarHBondContact O-NH1 3.02Å; G59-R64 VanDerWaalsContact O-NH1 3.1Å; S60-R64 PolarHBondContact O-N 3.45Å; E61-R64 PolarHBondContact O-N 3.06Å; L62-R64 VanDerWaalsContact C-N 3.3Å; L62-R64 PolarHBondContact O-N 3.41Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-L66 PolarHBondContact O-N 3.11Å; R64-K67 WeakPolarHBondContact O-CB 3.2Å; R64-K67 PolarHBondContact O-N 2.82Å; R64-E68 PolarHBondContact O-N 3.35Å
65	R	80	Confident	81	Confident	155 Å²	155	71 Å²	71	59%	0.585	37%	0.372	S	S	*	.	H	α-helix	trans	-64.2	-38.2	177	-64.7	179.8	-171.9	-171.8	3.5	112.1	E61 L62 K67 T69	E61-R65 PolarHBondContact O-N 2.98Å; E61-R65 IonicContact OE1-CZ 3.22Å; E61-R65 IonicContact OE1-NE 2.81Å; E61-R65 IonicContact OE1-NH2 3.65Å; E61-R65 PolarHBondContact OE1-NH2 3.18Å; L62-R65 PolarHBondContact O-N 3.26Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3Å; R65-T69 PolarHBondContact O-OG1 3.44Å
66	L	85.1	Confident	80.9	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-39.9	174.6	-71.3	176.5	0	0	0	111.7	L52 M55 V56 L62 G63 R64 E68 T69 M70 V76 M80	L52-L66 HydrophobicContact CD2-CD1 4.25Å; L52-L66 HydrophobicContact CD2-CD2 4.19Å; M55-L66 HydrophobicContact CB-CD1 3.91Å; M55-L66 HydrophobicContact SD-CD1 4.44Å; V56-L66 HydrophobicContact CG2-CB 3.72Å; L62-L66 HydrophobicContact CG-CD1 4.28Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.31Å; L62-L66 PolarHBondContact O-N 2.81Å; G63-L66 PolarHBondContact O-N 3.22Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-L66 PolarHBondContact O-N 3.11Å; L66-E68 PolarHBondContact O-N 2.83Å; L66-T69 PolarHBondContact O-N 2.9Å; L66-M70 VanDerWaalsContact O-CG 3.28Å; L66-M70 WeakPolarHBondContact O-CG 3.44Å; L66-M70 PolarHBondContact O-N 2.82Å; L66-V76 HydrophobicContact CD2-CB 4.23Å; L66-V76 HydrophobicContact CD2-CG1 3.5Å; L66-V76 VanDerWaalsContact CD2-CG1 3.5Å; L66-V76 HydrophobicContact CD2-CG2 3.61Å; L66-M80 HydrophobicContact CD1-CE 3.93Å; L66-M80 HydrophobicContact CD2-CE 4.17Å; L66-M80 HydrophobicContact CD2-SD 4.13Å; L66-M80 HydrophobicContact CG-CE 4.48Å
67	K	84.3	Confident	80.8	Confident	87 Å²	87	71.2 Å²	71.2	38%	0.378	38%	0.379	S	S	.	.	H	α-helix	trans	-57.1	-50.4	-178.8	-175.7	167.5	170.1	43.8	0	112.4	V56 G63 R64 R65 T69 M70 D71	V56-K67 HydrophobicContact CG1-CB 3.74Å; V56-K67 HydrophobicContact CG1-CD 4Å; V56-K67 HydrophobicContact CG1-CG 3.99Å; V56-K67 HydrophobicContact CG2-CB 4.23Å; G63-K67 PolarHBondContact O-N 2.86Å; R64-K67 WeakPolarHBondContact O-CB 3.2Å; R64-K67 PolarHBondContact O-N 2.82Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3Å; K67-T69 VanDerWaalsContact C-N 3.29Å; K67-T69 PolarHBondContact O-N 3.04Å; K67-M70 PolarHBondContact O-N 3.16Å; K67-D71 WeakPolarHBondContact CE-OD2 3.47Å; K67-D71 WeakPolarHBondContact CG-OD2 3.37Å; K67-D71 IonicContact NZ-OD1 2.7Å; K67-D71 PolarHBondContact NZ-OD1 3.01Å; K67-D71 IonicContact NZ-OD2 3.77Å; K67-D71 PolarHBondContact NZ-OD2 2.84Å; K67-D71 WeakPolarHBondContact O-CB 3.32Å; K67-D71 VanDerWaalsContact O-CG 3.28Å; K67-D71 PolarHBondContact O-N 3.39Å
68	E	83.1	Confident	80.9	Confident	146 Å²	146	69.1 Å²	69.1	68%	0.682	36%	0.358	S	S	*	.	H	α-helix	trans	-60.5	-40.3	-179.6	-65.9	175.3	-179.6	0	0	112.2	R64 L66 S72	R64-E68 PolarHBondContact O-N 3.35Å; L66-E68 PolarHBondContact O-N 2.83Å; E68-S72 WeakPolarHBondContact O-CB 3.31Å; E68-S72 PolarHBondContact O-N 3.03Å; E68-S72 PolarHBondContact O-OG 3.3Å
69	T	81.6	Confident	81	Confident	42 Å²	42	70.3 Å²	70.3	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-44.1	177.1	-56	0	0	0	0	111.2	R65 L66 K67 S72 G73 K74 L75 V76	R65-T69 PolarHBondContact O-OG1 3.44Å; L66-T69 PolarHBondContact O-N 2.9Å; K67-T69 VanDerWaalsContact C-N 3.29Å; K67-T69 PolarHBondContact O-N 3.04Å; T69-S72 PolarHBondContact O-OG 2.92Å; T69-G73 PolarHBondContact O-N 2.97Å; T69-K74 HydrophobicContact CG2-CB 3.8Å; T69-K74 PolarHBondContact O-N 2.91Å; T69-L75 WeakPolarHBondContact CG2-O 3.49Å; T69-V76 HydrophobicContact CG2-CG2 4.46Å
70	M	79.6	Confident	81.1	Confident	22 Å²	22	70.5 Å²	70.5	11%	0.108	35%	0.347	C	S	.	.	H	α-helix	trans	-72.5	-40.4	-178.3	-67.9	-179.9	74.2	0	0	113.4	L52 R53 V56 L66 K67 S72 G73 R188	L52-M70 HydrophobicContact CB-CE 3.92Å; L52-M70 HydrophobicContact CB-SD 3.75Å; R53-M70 HydrophobicContact CG-CE 3.7Å; V56-M70 HydrophobicContact CG2-SD 3.89Å; L66-M70 VanDerWaalsContact O-CG 3.28Å; L66-M70 WeakPolarHBondContact O-CG 3.44Å; L66-M70 PolarHBondContact O-N 2.82Å; K67-M70 PolarHBondContact O-N 3.16Å; M70-S72 VanDerWaalsContact C-N 3.26Å; M70-S72 PolarHBondContact O-N 2.98Å; M70-G73 PolarHBondContact O-N 3.33Å; M70-R188 PolarHBondContact O-NH2 3.12Å
71	D	79.5	Confident	81.3	Confident	69 Å²	69	68.5 Å²	68.5	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-32.4	178.9	-72.6	-11.2	0	0	0	111	K67 G73	K67-D71 WeakPolarHBondContact CE-OD2 3.47Å; K67-D71 WeakPolarHBondContact CG-OD2 3.37Å; K67-D71 IonicContact NZ-OD1 2.7Å; K67-D71 PolarHBondContact NZ-OD1 3.01Å; K67-D71 IonicContact NZ-OD2 3.77Å; K67-D71 PolarHBondContact NZ-OD2 2.84Å; K67-D71 WeakPolarHBondContact O-CB 3.32Å; K67-D71 VanDerWaalsContact O-CG 3.28Å; K67-D71 PolarHBondContact O-N 3.39Å; D71-G73 VanDerWaalsContact C-N 3.28Å; D71-G73 PolarHBondContact O-N 3.44Å
72	S	77.9	Confident	81.7	Confident	60 Å²	60	63 Å²	63	42%	0.42	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.8	173.9	61.6	0	0	0	0	114.5	E68 T69 M70 K74	E68-S72 WeakPolarHBondContact O-CB 3.31Å; E68-S72 PolarHBondContact O-N 3.03Å; E68-S72 PolarHBondContact O-OG 3.3Å; T69-S72 PolarHBondContact O-OG 2.92Å; M70-S72 VanDerWaalsContact C-N 3.26Å; M70-S72 PolarHBondContact O-N 2.98Å; S72-K74 PolarHBondContact O-N 3.14Å
73	G	71.1	Confident	82.1	Confident	13 Å²	13	63.5 Å²	63.5	13%	0.134	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	13.8	-179.6	0	0	0	0	0	114.8	T69 M70 D71	T69-G73 PolarHBondContact O-N 2.97Å; M70-G73 PolarHBondContact O-N 3.33Å; D71-G73 VanDerWaalsContact C-N 3.28Å; D71-G73 PolarHBondContact O-N 3.44Å
74	K	75.1	Confident	82.2	Confident	145 Å²	145	65 Å²	65	63%	0.63	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-83.3	165	177.5	-66.3	-179.8	-177.1	177.6	0	111.7	T69 S72	T69-K74 HydrophobicContact CG2-CB 3.8Å; T69-K74 PolarHBondContact O-N 2.91Å; S72-K74 PolarHBondContact O-N 3.14Å
75	L	70.2	Confident	82.6	Confident	46 Å²	46	57 Å²	57	24%	0.241	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-89.7	143.6	176.3	-57.9	-168.7	0	0	0	111.4	T69 R105 T106	T69-L75 WeakPolarHBondContact CG2-O 3.49Å; L75-R105 HydrophobicContact CD1-CB 3.91Å; L75-T106 HydrophobicContact CD1-CG2 3.9Å
76	V	80.2	Confident	83.2	Confident	17 Å²	17	53.4 Å²	53.4	10%	0.103	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-72.3	155.9	167	-176.7	0	0	0	0	108.5	L52 L66 T69 M80 V81	L52-V76 HydrophobicContact CD1-CB 4.46Å; L52-V76 HydrophobicContact CD1-CG2 3.83Å; L52-V76 HydrophobicContact CD2-CB 4.47Å; L52-V76 HydrophobicContact CD2-CG1 4.32Å; L52-V76 HydrophobicContact CD2-CG2 4.02Å; L66-V76 HydrophobicContact CD2-CB 4.23Å; L66-V76 HydrophobicContact CD2-CG1 3.5Å; L66-V76 VanDerWaalsContact CD2-CG1 3.5Å; L66-V76 HydrophobicContact CD2-CG2 3.61Å; T69-V76 HydrophobicContact CG2-CG2 4.46Å; V76-M80 HydrophobicContact CG1-CB 4.41Å; V76-M80 HydrophobicContact CG1-CG 4.42Å; V76-M80 HydrophobicContact CG1-SD 3.77Å; V76-V81 HydrophobicContact CB-CG2 4.1Å; V76-V81 HydrophobicContact CG1-CG2 4.28Å
77	S	84.3	Confident	83.4	Confident	65 Å²	65	59.1 Å²	59.1	46%	0.455	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.4	140.6	-179.3	56.4	0	0	0	0	112.4	E79 M80 V81	S77-E79 VanDerWaalsContact C-N 3.3Å; S77-E79 PolarHBondContact O-N 3.47Å; S77-M80 PolarHBondContact O-N 2.79Å; S77-M80 WeakPolarHBondContact OG-CB 3.46Å; S77-V81 WeakPolarHBondContact O-CG2 3.37Å; S77-V81 PolarHBondContact O-N 2.6Å
78	D	87.4	Confident	83.7	Confident	26 Å²	26	57.2 Å²	57.2	14%	0.139	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-43.9	-174.7	-56.7	-32.4	0	0	0	111.4	M80 V81 V82 K108 Q109 M112	D78-M80 VanDerWaalsContact C-N 3.31Å; D78-M80 PolarHBondContact O-N 3.4Å; D78-V81 PolarHBondContact O-N 3.01Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 2.84Å; D78-K108 WeakPolarHBondContact OD2-CD 3.25Å; D78-K108 IonicContact OD2-NZ 2.72Å; D78-K108 PolarHBondContact OD2-NZ 2.84Å; D78-Q109 HydrophobicContact CB-CG 3.89Å; D78-Q109 VanDerWaalsContact OD1-CG 3.23Å; D78-Q109 WeakPolarHBondContact OD1-CG 3.05Å; D78-Q109 PolarHBondContact OD1-NE2 3.41Å; D78-M112 HydrophobicContact CB-CE 4.45Å; D78-M112 HydrophobicContact CB-SD 3.8Å
79	E	85.9	Confident	84.2	Confident	102 Å²	102	50.8 Å²	50.8	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-39.5	-176	-60.5	71.9	-154.8	0	0	111.4	S77 E83 K108 M112	S77-E79 VanDerWaalsContact C-N 3.3Å; S77-E79 PolarHBondContact O-N 3.47Å; E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.45Å; E79-K108 IonicContact OE1-NZ 2.84Å; E79-K108 PolarHBondContact OE1-NZ 2.03Å; E79-M112 HydrophobicContact CG-CE 4.09Å
80	M	83.3	Confident	84.6	Confident	40 Å²	40	53.9 Å²	53.9	20%	0.197	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-38.9	178.1	-178.3	178.9	176.5	0	0	111.7	M55 L62 L66 V76 S77 D78 L84	M55-M80 HydrophobicContact CE-CE 4.27Å; M55-M80 HydrophobicContact SD-CE 4.1Å; L62-M80 HydrophobicContact CD1-CE 3.9Å; L62-M80 HydrophobicContact CD1-SD 4.18Å; L62-M80 HydrophobicContact CD2-CE 3.66Å; L62-M80 HydrophobicContact CG-CE 3.95Å; L66-M80 HydrophobicContact CD1-CE 3.93Å; L66-M80 HydrophobicContact CD2-CE 4.17Å; L66-M80 HydrophobicContact CD2-SD 4.13Å; L66-M80 HydrophobicContact CG-CE 4.48Å; V76-M80 HydrophobicContact CG1-CB 4.41Å; V76-M80 HydrophobicContact CG1-CG 4.42Å; V76-M80 HydrophobicContact CG1-SD 3.77Å; S77-M80 PolarHBondContact O-N 2.79Å; S77-M80 WeakPolarHBondContact OG-CB 3.46Å; D78-M80 VanDerWaalsContact C-N 3.31Å; D78-M80 PolarHBondContact O-N 3.4Å; M80-L84 WeakPolarHBondContact O-CB 3.36Å; M80-L84 PolarHBondContact O-N 3.33Å; M80-L84 VanDerWaalsContact O-N 3.11Å
81	V	87.3	Confident	85.1	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-38.3	179.8	-176.3	0	0	0	0	110.8	T48 V76 S77 D78 L84 I85 F103	T48-V81 HydrophobicContact CG2-CG1 3.9Å; V76-V81 HydrophobicContact CB-CG2 4.1Å; V76-V81 HydrophobicContact CG1-CG2 4.28Å; S77-V81 WeakPolarHBondContact O-CG2 3.37Å; S77-V81 PolarHBondContact O-N 2.6Å; D78-V81 PolarHBondContact O-N 3.01Å; V81-L84 WeakPolarHBondContact O-CB 3.22Å; V81-L84 PolarHBondContact O-N 2.83Å; V81-I85 HydrophobicContact CG1-CD1 4.06Å; V81-I85 VanDerWaalsContact O-CG1 3.32Å; V81-I85 WeakPolarHBondContact O-CG1 3.42Å; V81-I85 PolarHBondContact O-N 3.27Å; V81-F103 HydrophobicContact CB-CD2 4.23Å; V81-F103 HydrophobicContact CB-CE2 4.13Å; V81-F103 HydrophobicContact CG1-CD2 3.34Å; V81-F103 HydrophobicContact CG1-CE2 3.68Å; V81-F103 HydrophobicContact CG1-CG 4.15Å
82	V	90.6	Very high	85.6	Confident	17 Å²	17	58 Å²	58	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-46.6	175.7	172	0	0	0	0	111.3	D78 L84 I85 E86 F103 M112 L116	D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 2.84Å; V82-L84 VanDerWaalsContact C-N 3.27Å; V82-L84 PolarHBondContact O-N 2.76Å; V82-I85 PolarHBondContact O-N 2.93Å; V82-I85 VanDerWaalsContact O-N 3.09Å; V82-E86 PolarHBondContact O-N 3.27Å; V82-F103 HydrophobicContact CG2-CE2 4.12Å; V82-F103 HydrophobicContact CG2-CZ 3.6Å; V82-M112 HydrophobicContact CB-CE 4.24Å; V82-M112 HydrophobicContact CG2-CB 3.88Å; V82-M112 HydrophobicContact CG2-CE 3.88Å; V82-M112 HydrophobicContact CG2-SD 4.25Å; V82-L116 HydrophobicContact CG1-CD2 4.47Å
83	E	88.2	Confident	86.2	Confident	96 Å²	96	58 Å²	58	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-39.7	176.4	-171.9	-167.5	157.5	0	0	111.7	E79 I85 K87	E79-E83 WeakPolarHBondContact O-CB 3.35Å; E79-E83 PolarHBondContact O-N 3.45Å; E83-I85 VanDerWaalsContact C-N 3.34Å; E83-K87 WeakPolarHBondContact O-CG 3.31Å; E83-K87 PolarHBondContact O-N 3.33Å; E83-K87 VanDerWaalsContact O-N 3.14Å; E83-K87 VanDerWaalsContact OE1-CE 3.29Å; E83-K87 WeakPolarHBondContact OE1-CE 3.19Å; E83-K87 IonicContact OE1-NZ 3.54Å; E83-K87 PolarHBondContact OE1-NZ 3.01Å
84	L	88.1	Confident	87.3	Confident	32 Å²	32	57.7 Å²	57.7	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-42	175.6	177.5	66.4	0	0	0	111.7	M51 M55 M80 V81 V82 N88	M51-L84 HydrophobicContact CB-CD2 3.79Å; M51-L84 HydrophobicContact CE-CD2 3.99Å; M51-L84 HydrophobicContact CE-CG 4.17Å; M51-L84 HydrophobicContact SD-CD1 4.41Å; M51-L84 HydrophobicContact SD-CD2 4.23Å; M51-L84 HydrophobicContact SD-CG 4.14Å; M55-L84 HydrophobicContact CE-CD1 4.11Å; M55-L84 HydrophobicContact CE-CD2 3.65Å; M55-L84 HydrophobicContact CE-CG 4.49Å; M80-L84 WeakPolarHBondContact O-CB 3.36Å; M80-L84 PolarHBondContact O-N 3.33Å; M80-L84 VanDerWaalsContact O-N 3.11Å; V81-L84 WeakPolarHBondContact O-CB 3.22Å; V81-L84 PolarHBondContact O-N 2.83Å; V82-L84 VanDerWaalsContact C-N 3.27Å; V82-L84 PolarHBondContact O-N 2.76Å; L84-N88 PolarHBondContact O-N 3.29Å; L84-N88 PolarHBondContact O-ND2 3.01Å
85	I	92.4	Very high	88.1	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-66.7	-49.4	178.3	-70.8	164.6	0	0	0	110.2	T48 V81 V82 E83 K87 N88 L89 L100 F103 L116	T48-I85 HydrophobicContact CG2-CD1 4.04Å; T48-I85 HydrophobicContact CG2-CG1 4.22Å; V81-I85 HydrophobicContact CG1-CD1 4.06Å; V81-I85 VanDerWaalsContact O-CG1 3.32Å; V81-I85 WeakPolarHBondContact O-CG1 3.42Å; V81-I85 PolarHBondContact O-N 3.27Å; V82-I85 PolarHBondContact O-N 2.93Å; V82-I85 VanDerWaalsContact O-N 3.09Å; E83-I85 VanDerWaalsContact C-N 3.34Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 2.97Å; I85-N88 WeakPolarHBondContact O-CA 3.49Å; I85-N88 PolarHBondContact O-N 3.41Å; I85-L89 HydrophobicContact CG2-CD1 3.93Å; I85-L89 HydrophobicContact CG2-CG 4.06Å; I85-L89 WeakPolarHBondContact O-CG 3.25Å; I85-L89 PolarHBondContact O-N 3.38Å; I85-L100 HydrophobicContact CD1-CD2 4.03Å; I85-L100 HydrophobicContact CG1-CD2 4.15Å; I85-L100 HydrophobicContact CG2-CD2 3.96Å; I85-F103 HydrophobicContact CD1-CB 3.95Å; I85-F103 HydrophobicContact CD1-CD1 3.1Å; I85-F103 HydrophobicContact CD1-CD2 3.81Å; I85-F103 HydrophobicContact CD1-CE1 3.38Å; I85-F103 HydrophobicContact CD1-CE2 4.04Å; I85-F103 HydrophobicContact CD1-CG 3.33Å; I85-F103 HydrophobicContact CD1-CZ 3.86Å; I85-L116 HydrophobicContact CG2-CD2 4.43Å
86	E	92.1	Very high	89.2	Confident	81 Å²	81	60.7 Å²	60.7	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-51.3	-49.9	178.9	179.5	171.6	-149.9	0	0	111.8	V82 N88 L89 D90 L116	V82-E86 PolarHBondContact O-N 3.27Å; E86-N88 PolarHBondContact O-N 3Å; E86-L89 PolarHBondContact O-N 2.86Å; E86-L89 VanDerWaalsContact O-N 3.14Å; E86-D90 PolarHBondContact O-N 2.91Å; E86-L116 HydrophobicContact CB-CD1 4.04Å; E86-L116 HydrophobicContact CB-CD2 4.03Å; E86-L116 HydrophobicContact CG-CD1 3.81Å
87	K	89.6	Confident	89.9	Confident	127 Å²	127	59.9 Å²	59.9	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-59.2	-32.8	177.3	-73	178.2	-176	168.3	0	113.8	E83 I85	E83-K87 WeakPolarHBondContact O-CG 3.31Å; E83-K87 PolarHBondContact O-N 3.33Å; E83-K87 VanDerWaalsContact O-N 3.14Å; E83-K87 VanDerWaalsContact OE1-CE 3.29Å; E83-K87 WeakPolarHBondContact OE1-CE 3.19Å; E83-K87 IonicContact OE1-NZ 3.54Å; E83-K87 PolarHBondContact OE1-NZ 3.01Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 2.97Å
88	N	90.3	Very high	90.6	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-79.8	-33.8	178.9	-80.1	-87	0	0	0	112	L46 L84 I85 E86 D90 T91 C94	L46-N88 HydrophobicContact CD1-CB 4.31Å; L46-N88 HydrophobicContact CD2-CB 3.64Å; L84-N88 PolarHBondContact O-N 3.29Å; L84-N88 PolarHBondContact O-ND2 3.01Å; I85-N88 WeakPolarHBondContact O-CA 3.49Å; I85-N88 PolarHBondContact O-N 3.41Å; E86-N88 PolarHBondContact O-N 3Å; N88-D90 PolarHBondContact O-N 3.15Å; N88-T91 WeakPolarHBondContact O-CB 3.43Å; N88-T91 WeakPolarHBondContact O-CG2 3.27Å; N88-T91 PolarHBondContact O-N 3.11Å; N88-T91 PolarHBondContact O-OG1 2.8Å; N88-C94 PolarHBondContact O-SG 2.9Å
89	L	92.6	Very high	91	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-27	176.8	-68.1	179.4	0	0	0	112.7	L46 I85 E86 T91 F98 L116 R120	L46-L89 HydrophobicContact CD1-CD2 3.76Å; L46-L89 HydrophobicContact CD1-CG 4.4Å; I85-L89 HydrophobicContact CG2-CD1 3.93Å; I85-L89 HydrophobicContact CG2-CG 4.06Å; I85-L89 WeakPolarHBondContact O-CG 3.25Å; I85-L89 PolarHBondContact O-N 3.38Å; E86-L89 PolarHBondContact O-N 2.86Å; E86-L89 VanDerWaalsContact O-N 3.14Å; L89-T91 PolarHBondContact O-N 3.37Å; L89-F98 HydrophobicContact CD2-CB 4.1Å; L89-F98 HydrophobicContact CD2-CD1 3.3Å; L89-F98 HydrophobicContact CD2-CE1 3.79Å; L89-F98 HydrophobicContact CD2-CG 3.75Å; L89-L116 HydrophobicContact CD1-CD2 3.97Å; L89-R120 PolarHBondContact O-NH2 3.08Å
90	D	90.1	Very high	91.6	Very high	108 Å²	108	50.7 Å²	50.7	58%	0.578	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.6	176.1	-68.5	-23.6	0	0	0	114.3	E86 N88 R120	E86-D90 PolarHBondContact O-N 2.91Å; N88-D90 PolarHBondContact O-N 3.15Å; D90-R120 IonicContact OD1-CZ 3.13Å; D90-R120 VanDerWaalsContact OD1-CZ 3.26Å; D90-R120 IonicContact OD1-NH1 2.85Å; D90-R120 PolarHBondContact OD1-NH1 3.37Å; D90-R120 IonicContact OD1-NH2 3.37Å; D90-R120 PolarHBondContact OD1-NH2 3.44Å
91	T	90.6	Very high	92.1	Very high	59 Å²	59	49.7 Å²	49.7	36%	0.362	26%	0.256	S	S	.	.	S	Bend	trans	-78.6	151.5	178.9	69.7	0	0	0	0	111.9	N88 L89 A93 C94	N88-T91 WeakPolarHBondContact O-CB 3.43Å; N88-T91 WeakPolarHBondContact O-CG2 3.27Å; N88-T91 PolarHBondContact O-N 3.11Å; N88-T91 PolarHBondContact O-OG1 2.8Å; L89-T91 PolarHBondContact O-N 3.37Å; T91-A93 PolarHBondContact O-N 3.13Å; T91-A93 VanDerWaalsContact O-N 3.1Å; T91-C94 PolarHBondContact O-N 3.41Å
92	T	89.9	Confident	92.1	Very high	119 Å²	119	50.1 Å²	50.1	73%	0.73	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23.2	177.9	52.4	0	0	0	0	113.5	C94 R95	T92-C94 VanDerWaalsContact C-N 3.27Å; T92-C94 PolarHBondContact O-N 3.07Å; T92-R95 WeakPolarHBondContact O-CD 3.37Å; T92-R95 VanDerWaalsContact O-CG 3.31Å; T92-R95 WeakPolarHBondContact O-CG 3.44Å; T92-R95 PolarHBondContact O-N 2.82Å
93	A	90.5	Very high	92.3	Very high	60 Å²	60	49.5 Å²	49.5	50%	0.496	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-66.6	-28.6	176.2	0	0	0	0	0	112.6	C44 T91	C44-A93 HydrophobicContact CB-CB 4.1Å; C44-A93 PolarHBondContact N-O 2.97Å; T91-A93 PolarHBondContact O-N 3.13Å; T91-A93 VanDerWaalsContact O-N 3.1Å
94	C	93.8	Very high	92.6	Very high	6 Å²	6	45 Å²	45	4%	0.041	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-94.8	4.6	-177.9	-61.7	0	0	0	0	113.7	C44 N88 T91 T92 N96 G97	C44-C94 HydrophobicContact CB-CB 4.02Å; C44-C94 WeakPolarHBondContact CB-SG 3.47Å; C44-C94 WeakPolarHBondContact SG-CA 3.3Å; C44-C94 WeakPolarHBondContact SG-CB 3.38Å; C44-C94 CovalentContact SG-SG 2.03Å; C44-C94 PolarHBondContact SG-SG 2.83Å; N88-C94 PolarHBondContact O-SG 2.9Å; T91-C94 PolarHBondContact O-N 3.41Å; T92-C94 VanDerWaalsContact C-N 3.27Å; T92-C94 PolarHBondContact O-N 3.07Å; C94-N96 PolarHBondContact O-N 2.92Å; C94-N96 VanDerWaalsContact O-N 3.14Å; C94-G97 CarbonylContact C-O 3.58Å; C94-G97 WeakPolarHBondContact CA-O 3.38Å; C94-G97 PolarHBondContact O-N 3.16Å
95	R	92.2	Very high	92.9	Very high	191 Å²	191	47.4 Å²	47.4	72%	0.721	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.2	-175	76	-175.6	-177.6	-158.4	-4	114.3	T92 G97	T92-R95 WeakPolarHBondContact O-CD 3.37Å; T92-R95 VanDerWaalsContact O-CG 3.31Å; T92-R95 WeakPolarHBondContact O-CG 3.44Å; T92-R95 PolarHBondContact O-N 2.82Å; R95-G97 VanDerWaalsContact C-N 3.33Å
96	N	93.5	Very high	93	Very high	62 Å²	62	48.7 Å²	48.7	33%	0.332	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.3	179.3	-65.9	-16.7	0	0	0	111.6	G17 I18 C42 V43 C94	G17-N96 WeakPolarHBondContact CA-O 3.36Å; I18-N96 PolarHBondContact N-O 3.16Å; C42-N96 VanDerWaalsContact O-CB 3.25Å; C42-N96 WeakPolarHBondContact O-CB 3.38Å; C42-N96 PolarHBondContact O-ND2 3.5Å; V43-N96 HydrophobicContact CG1-CB 4.2Å; V43-N96 VanDerWaalsContact CG1-O 3.27Å; V43-N96 WeakPolarHBondContact CG1-O 3.38Å; C94-N96 PolarHBondContact O-N 2.92Å; C94-N96 VanDerWaalsContact O-N 3.14Å
97	G	96.1	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.2	-168.6	-171.6	0	0	0	0	0	112.7	I18 V43 C44 C94 R95	I18-G97 CarbonylContact O-C 3.58Å; I18-G97 WeakPolarHBondContact O-CA 3.43Å; V43-G97 WeakPolarHBondContact CB-O 3.29Å; C44-G97 PolarHBondContact N-O 2.82Å; C94-G97 CarbonylContact C-O 3.58Å; C94-G97 WeakPolarHBondContact CA-O 3.38Å; C94-G97 PolarHBondContact O-N 3.16Å; R95-G97 VanDerWaalsContact C-N 3.33Å
98	F	97.2	Very high	93.4	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.1	-169.1	56.5	-100.4	0	0	0	112.5	I18 R19 A20 C44 L46 L89 L100 L117 L124	I18-F98 PolarHBondContact O-N 3.16Å; I18-F98 VanDerWaalsContact O-O 3.12Å; R19-F98 WeakPolarHBondContact CA-O 3.5Å; R19-F98 HydrophobicContact CB-CD1 4.38Å; R19-F98 HydrophobicContact CB-CE1 3.9Å; R19-F98 HydrophobicContact CB-CE2 4.15Å; R19-F98 HydrophobicContact CB-CZ 3.76Å; R19-F98 HydrophobicContact CG-CD1 3.92Å; R19-F98 HydrophobicContact CG-CE1 3.61Å; R19-F98 HydrophobicContact CG-CZ 4.03Å; A20-F98 PolarHBondContact N-O 3.45Å; C44-F98 CarbonylContact O-C 3.41Å; C44-F98 WeakPolarHBondContact O-CA 3.46Å; C44-F98 VanDerWaalsContact SG-CB 3.53Å; L46-F98 HydrophobicContact CD1-CB 4.18Å; L89-F98 HydrophobicContact CD2-CB 4.1Å; L89-F98 HydrophobicContact CD2-CD1 3.3Å; L89-F98 HydrophobicContact CD2-CE1 3.79Å; L89-F98 HydrophobicContact CD2-CG 3.75Å; F98-L100 HydrophobicContact CD2-CD1 3.99Å; F98-L100 HydrophobicContact CD2-CG 3.73Å; F98-L100 HydrophobicContact CE2-CD1 3.61Å; F98-L100 HydrophobicContact CE2-CG 3.91Å; F98-L100 HydrophobicContact CZ-CD1 4.5Å; F98-L117 HydrophobicContact CE1-CD2 3.9Å; F98-L117 HydrophobicContact CZ-CD1 4.27Å; F98-L117 HydrophobicContact CZ-CD2 3.76Å; F98-L124 HydrophobicContact CE2-CD1 3.93Å; F98-L124 HydrophobicContact CZ-CD1 4.18Å
99	L	97.6	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.2	163.8	-64.4	176.7	0	0	0	109.4	I18 A20 A34 L37 A38 V43 C44 L46 F229	I18-L99 HydrophobicContact CG2-CD2 3.97Å; A20-L99 HydrophobicContact CB-CD2 3.86Å; A20-L99 WeakPolarHBondContact O-CA 3.34Å; A34-L99 WeakPolarHBondContact O-CD1 3.42Å; L37-L99 HydrophobicContact CB-CD1 3.46Å; L37-L99 VanDerWaalsContact CB-CD1 3.46Å; A38-L99 HydrophobicContact CB-CD1 4.11Å; V43-L99 HydrophobicContact CG2-CD1 4.24Å; V43-L99 HydrophobicContact CG2-CG 3.87Å; C44-L99 PolarHBondContact O-N 3.5Å; L46-L99 PolarHBondContact N-O 3.42Å; L99-F229 HydrophobicContact CD2-CE2 4.11Å; L99-F229 HydrophobicContact CD2-CZ 3.94Å
100	L	97.2	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.8	173.2	-72.3	166.9	0	0	0	109.9	A20 I21 L22 L46 I85 F98 F103 L113	A20-L100 PolarHBondContact O-N 3.48Å; I21-L100 HydrophobicContact CG1-CB 4.2Å; I21-L100 HydrophobicContact CG1-CD1 4.13Å; L22-L100 PolarHBondContact N-O 3.09Å; L46-L100 HydrophobicContact CB-CD2 3.87Å; L46-L100 HydrophobicContact CD1-CD2 3.97Å; I85-L100 HydrophobicContact CD1-CD2 4.03Å; I85-L100 HydrophobicContact CG1-CD2 4.15Å; I85-L100 HydrophobicContact CG2-CD2 3.96Å; F98-L100 HydrophobicContact CD2-CD1 3.99Å; F98-L100 HydrophobicContact CD2-CG 3.73Å; F98-L100 HydrophobicContact CE2-CD1 3.61Å; F98-L100 HydrophobicContact CE2-CG 3.91Å; F98-L100 HydrophobicContact CZ-CD1 4.5Å; L100-F103 HydrophobicContact CD1-CD1 4.49Å; L100-L113 HydrophobicContact CD1-CD1 3.96Å; L100-L113 HydrophobicContact CD1-CD2 3.57Å; L100-L113 HydrophobicContact CD1-CG 4.43Å
101	D	94	Very high	94.2	Very high	19 Å²	19	42.4 Å²	42.4	10%	0.102	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.8	176.4	-177.5	2.4	0	0	0	110.3	K30 H45 L46 A47 T48	K30-D101 WeakPolarHBondContact CD-OD1 3.43Å; K30-D101 WeakPolarHBondContact CE-OD1 3.46Å; H45-D101 WeakPolarHBondContact NE2-CB 3.46Å; H45-D101 IonicContact NE2-OD2 2.99Å; H45-D101 PolarHBondContact NE2-OD2 2.88Å; L46-D101 PolarHBondContact O-N 3.2Å; A47-D101 HydrophobicContact CB-CB 4.4Å; T48-D101 PolarHBondContact N-O 3.18Å; T48-D101 VanDerWaalsContact N-O 3.12Å; T48-D101 PolarHBondContact OG1-O 3.11Å
102	G	88.3	Confident	94.5	Very high	17 Å²	17	41.6 Å²	41.6	18%	0.175	21%	0.213	C	C	.	.	S	Bend	trans	83.5	13.7	179.1	0	0	0	0	0	114.8	T48 R105	T48-G102 PolarHBondContact OG1-O 2.98Å; G102-R105 VanDerWaalsContact O-CG 3.28Å; G102-R105 WeakPolarHBondContact O-CG 3.47Å; G102-R105 PolarHBondContact O-NE 3.14Å
103	F	94.1	Very high	94.8	Very high	3 Å²	3	36 Å²	36	1%	0.013	18%	0.178	C	C	.	.			trans	-147.1	143.1	169.5	-179.1	-86.4	0	0	0	110	T48 V81 V82 I85 L100 Q109 L113	T48-F103 HydrophobicContact CG2-CB 3.56Å; T48-F103 HydrophobicContact CG2-CG 4.34Å; V81-F103 HydrophobicContact CB-CD2 4.23Å; V81-F103 HydrophobicContact CB-CE2 4.13Å; V81-F103 HydrophobicContact CG1-CD2 3.34Å; V81-F103 HydrophobicContact CG1-CE2 3.68Å; V81-F103 HydrophobicContact CG1-CG 4.15Å; V82-F103 HydrophobicContact CG2-CE2 4.12Å; V82-F103 HydrophobicContact CG2-CZ 3.6Å; I85-F103 HydrophobicContact CD1-CB 3.95Å; I85-F103 HydrophobicContact CD1-CD1 3.1Å; I85-F103 HydrophobicContact CD1-CD2 3.81Å; I85-F103 HydrophobicContact CD1-CE1 3.38Å; I85-F103 HydrophobicContact CD1-CE2 4.04Å; I85-F103 HydrophobicContact CD1-CG 3.33Å; I85-F103 HydrophobicContact CD1-CZ 3.86Å; L100-F103 HydrophobicContact CD1-CD1 4.49Å; F103-Q109 HydrophobicContact CD2-CB 4.43Å; F103-Q109 HydrophobicContact CD2-CG 4.48Å; F103-Q109 HydrophobicContact CE2-CB 3.66Å; F103-Q109 HydrophobicContact CE2-CG 3.71Å; F103-Q109 HydrophobicContact CZ-CB 3.83Å; F103-Q109 HydrophobicContact CZ-CG 4.28Å; F103-L113 HydrophobicContact CD1-CD2 4.37Å; F103-L113 HydrophobicContact CE1-CB 3.98Å; F103-L113 HydrophobicContact CE1-CD1 4.26Å; F103-L113 HydrophobicContact CE1-CD2 4.12Å; F103-L113 HydrophobicContact CE1-CG 4.35Å
104	P	95.6	Very high	95	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	16%	0.163	C	C	.	.			cis	-72.6	160.7	-6.1	28.1	-29	0	0	0	112.1	I21 Q109 A110 L113 L199 Y203	I21-P104 HydrophobicContact CD1-CG 4.33Å; P104-Q109 HydrophobicContact CB-CB 3.55Å; P104-A110 HydrophobicContact CB-CB 4.09Å; P104-A110 HydrophobicContact CG-CB 3.74Å; P104-L113 HydrophobicContact CG-CD2 4.47Å; P104-L199 HydrophobicContact CB-CD1 4.21Å; P104-L199 HydrophobicContact CG-CD1 4.04Å; P104-L199 VanDerWaalsContact O-CD1 3.23Å; P104-L199 WeakPolarHBondContact O-CD1 3.35Å; P104-Y203 HydrophobicContact CG-CE2 4.16Å; P104-Y203 WeakPolarHBondContact CG-OH 2.96Å
105	R	93.9	Very high	95.2	Very high	83 Å²	83	38.7 Å²	38.7	31%	0.313	18%	0.184	S	C	.	.			trans	-116.4	-11.6	175.8	-63.9	-171.7	-173.4	-171.5	4.5	113.7	L75 G102 Q195 T196	L75-R105 HydrophobicContact CD1-CB 3.91Å; G102-R105 VanDerWaalsContact O-CG 3.28Å; G102-R105 WeakPolarHBondContact O-CG 3.47Å; G102-R105 PolarHBondContact O-NE 3.14Å; R105-Q195 CarbonylContact O-C 3.58Å; R105-T196 VanDerWaalsContact O-CA 3.31Å; R105-T196 WeakPolarHBondContact O-CA 3.49Å; R105-T196 PolarHBondContact O-N 3.28Å; R105-T196 PolarHBondContact O-OG1 3.07Å
106	T	93.8	Very high	95.3	Very high	28 Å²	28	30 Å²	30	17%	0.172	15%	0.152	C	C	.	.	S	Bend	trans	-135.1	157	177.6	71.9	0	0	0	0	109.4	L75 K108 Q109 A110 Q195	L75-T106 HydrophobicContact CD1-CG2 3.9Å; T106-K108 VanDerWaalsContact C-N 3.28Å; T106-K108 PolarHBondContact O-N 3.42Å; T106-Q109 WeakPolarHBondContact O-CB 3.02Å; T106-Q109 PolarHBondContact O-N 3.19Å; T106-Q109 VanDerWaalsContact O-N 3.13Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.45Å; T106-Q109 PolarHBondContact OG1-N 3.01Å; T106-Q109 VanDerWaalsContact OG1-N 3.12Å; T106-A110 PolarHBondContact O-N 2.85Å; T106-A110 VanDerWaalsContact O-N 3.08Å; T106-Q195 HydrophobicContact CG2-CB 4.33Å
107	V	95.1	Very high	95.5	Very high	47 Å²	47	27.2 Å²	27.2	29%	0.285	14%	0.137	S	C	.	.	H	α-helix	trans	-58.3	-41.2	175.3	174.4	0	0	0	0	111.6	Q109 A110 E111 P198 L199 Y202	V107-Q109 VanDerWaalsContact C-N 3.31Å; V107-Q109 PolarHBondContact O-N 3.28Å; V107-A110 WeakPolarHBondContact O-CA 3.48Å; V107-A110 WeakPolarHBondContact O-CB 3.48Å; V107-A110 PolarHBondContact O-N 3.39Å; V107-E111 HydrophobicContact CG1-CG 4.44Å; V107-E111 WeakPolarHBondContact O-CG 3.42Å; V107-E111 PolarHBondContact O-N 3.1Å; V107-P198 HydrophobicContact CG2-CB 4.12Å; V107-L199 HydrophobicContact CG2-CD2 4.18Å; V107-Y202 HydrophobicContact CG1-CD2 3.68Å; V107-Y202 HydrophobicContact CG1-CE2 3.79Å
108	K	95.1	Very high	95.5	Very high	93 Å²	93	32.9 Å²	32.9	40%	0.404	17%	0.167	S	C	.	.	H	α-helix	trans	-57.2	-43.5	175.1	-178.9	-178.1	166.4	-136.6	0	111.9	D78 E79 T106 A110 E111 M112	D78-K108 WeakPolarHBondContact OD2-CD 3.25Å; D78-K108 IonicContact OD2-NZ 2.72Å; D78-K108 PolarHBondContact OD2-NZ 2.84Å; E79-K108 IonicContact OE1-NZ 2.84Å; E79-K108 PolarHBondContact OE1-NZ 2.03Å; T106-K108 VanDerWaalsContact C-N 3.28Å; T106-K108 PolarHBondContact O-N 3.42Å; K108-A110 VanDerWaalsContact C-N 3.29Å; K108-A110 PolarHBondContact O-N 2.91Å; K108-E111 PolarHBondContact O-N 2.73Å; K108-M112 HydrophobicContact CG-SD 4.29Å; K108-M112 VanDerWaalsContact O-CG 3.27Å; K108-M112 WeakPolarHBondContact O-CG 3.24Å; K108-M112 PolarHBondContact O-N 3.32Å
109	Q	95.3	Very high	95.4	Very high	4 Å²	4	41 Å²	41	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-34.5	175.7	-74.2	177.1	-0.7	0	0	112.4	D78 F103 P104 T106 V107 M112 L113	D78-Q109 HydrophobicContact CB-CG 3.89Å; D78-Q109 VanDerWaalsContact OD1-CG 3.23Å; D78-Q109 WeakPolarHBondContact OD1-CG 3.05Å; D78-Q109 PolarHBondContact OD1-NE2 3.41Å; F103-Q109 HydrophobicContact CD2-CB 4.43Å; F103-Q109 HydrophobicContact CD2-CG 4.48Å; F103-Q109 HydrophobicContact CE2-CB 3.66Å; F103-Q109 HydrophobicContact CE2-CG 3.71Å; F103-Q109 HydrophobicContact CZ-CB 3.83Å; F103-Q109 HydrophobicContact CZ-CG 4.28Å; P104-Q109 HydrophobicContact CB-CB 3.55Å; T106-Q109 WeakPolarHBondContact O-CB 3.02Å; T106-Q109 PolarHBondContact O-N 3.19Å; T106-Q109 VanDerWaalsContact O-N 3.13Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.45Å; T106-Q109 PolarHBondContact OG1-N 3.01Å; T106-Q109 VanDerWaalsContact OG1-N 3.12Å; V107-Q109 VanDerWaalsContact C-N 3.31Å; V107-Q109 PolarHBondContact O-N 3.28Å; Q109-M112 PolarHBondContact O-N 3.45Å; Q109-L113 WeakPolarHBondContact O-CB 3.49Å; Q109-L113 PolarHBondContact O-N 3.27Å
110	A	97.1	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-41.6	175.2	0	0	0	0	0	111.7	P104 T106 V107 K108 M112 L113 D114 L199 Y202 Y203	P104-A110 HydrophobicContact CB-CB 4.09Å; P104-A110 HydrophobicContact CG-CB 3.74Å; T106-A110 PolarHBondContact O-N 2.85Å; T106-A110 VanDerWaalsContact O-N 3.08Å; V107-A110 WeakPolarHBondContact O-CA 3.48Å; V107-A110 WeakPolarHBondContact O-CB 3.48Å; V107-A110 PolarHBondContact O-N 3.39Å; K108-A110 VanDerWaalsContact C-N 3.29Å; K108-A110 PolarHBondContact O-N 2.91Å; A110-M112 PolarHBondContact O-N 2.71Å; A110-L113 WeakPolarHBondContact O-CB 3.3Å; A110-L113 PolarHBondContact O-N 3.1Å; A110-D114 PolarHBondContact O-N 3.15Å; A110-L199 HydrophobicContact CB-CD2 3.58Å; A110-Y202 HydrophobicContact CB-CD1 3.97Å; A110-Y202 HydrophobicContact CB-CE1 3.51Å; A110-Y203 HydrophobicContact CB-CE2 4.36Å; A110-Y203 WeakPolarHBondContact CB-OH 3.36Å
111	E	96.8	Very high	95.1	Very high	97 Å²	97	51.8 Å²	51.8	45%	0.453	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-43.4	173.5	-67	167.9	165.7	0	0	111.6	V107 K108 L113 D114 D115 Y202	V107-E111 HydrophobicContact CG1-CG 4.44Å; V107-E111 WeakPolarHBondContact O-CG 3.42Å; V107-E111 PolarHBondContact O-N 3.1Å; K108-E111 PolarHBondContact O-N 2.73Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.41Å; E111-D114 PolarHBondContact O-N 3.4Å; E111-D115 PolarHBondContact O-N 3.29Å; E111-Y202 WeakPolarHBondContact CA-OH 3.25Å; E111-Y202 HydrophobicContact CG-CE2 3.93Å; E111-Y202 WeakPolarHBondContact CG-OH 3.17Å; E111-Y202 PolarHBondContact N-OH 3.2Å
112	M	96.9	Very high	95.2	Very high	43 Å²	43	52.5 Å²	52.5	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-32.6	175.8	-66.5	173.5	78.3	0	0	113	D78 E79 V82 K108 Q109 A110 L116	D78-M112 HydrophobicContact CB-CE 4.45Å; D78-M112 HydrophobicContact CB-SD 3.8Å; E79-M112 HydrophobicContact CG-CE 4.09Å; V82-M112 HydrophobicContact CB-CE 4.24Å; V82-M112 HydrophobicContact CG2-CB 3.88Å; V82-M112 HydrophobicContact CG2-CE 3.88Å; V82-M112 HydrophobicContact CG2-SD 4.25Å; K108-M112 HydrophobicContact CG-SD 4.29Å; K108-M112 VanDerWaalsContact O-CG 3.27Å; K108-M112 WeakPolarHBondContact O-CG 3.24Å; K108-M112 PolarHBondContact O-N 3.32Å; Q109-M112 PolarHBondContact O-N 3.45Å; A110-M112 PolarHBondContact O-N 2.71Å; M112-L116 WeakPolarHBondContact O-CB 3.33Å; M112-L116 PolarHBondContact O-N 2.98Å; M112-L116 VanDerWaalsContact O-N 3.1Å
113	L	96.9	Very high	95.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-44.2	174.2	-179.1	59.6	0	0	0	111.2	I21 L100 F103 P104 Q109 A110 E111 D115 L116 L117	I21-L113 HydrophobicContact CD1-CD2 3.7Å; I21-L113 HydrophobicContact CG1-CD2 4.37Å; L100-L113 HydrophobicContact CD1-CD1 3.96Å; L100-L113 HydrophobicContact CD1-CD2 3.57Å; L100-L113 HydrophobicContact CD1-CG 4.43Å; F103-L113 HydrophobicContact CD1-CD2 4.37Å; F103-L113 HydrophobicContact CE1-CB 3.98Å; F103-L113 HydrophobicContact CE1-CD1 4.26Å; F103-L113 HydrophobicContact CE1-CD2 4.12Å; F103-L113 HydrophobicContact CE1-CG 4.35Å; P104-L113 HydrophobicContact CG-CD2 4.47Å; Q109-L113 WeakPolarHBondContact O-CB 3.49Å; Q109-L113 PolarHBondContact O-N 3.27Å; A110-L113 WeakPolarHBondContact O-CB 3.3Å; A110-L113 PolarHBondContact O-N 3.1Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.41Å; L113-D115 VanDerWaalsContact C-N 3.34Å; L113-D115 PolarHBondContact O-N 3.02Å; L113-L116 HydrophobicContact CD1-CD2 4.5Å; L113-L116 WeakPolarHBondContact O-CB 3.33Å; L113-L116 PolarHBondContact O-N 3.13Å; L113-L116 VanDerWaalsContact O-N 3.16Å; L113-L117 HydrophobicContact CD1-CD1 4.34Å; L113-L117 HydrophobicContact CD1-CG 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.19Å; L113-L117 HydrophobicContact CG-CG 4.48Å; L113-L117 WeakPolarHBondContact O-CG 3.29Å; L113-L117 PolarHBondContact O-N 2.99Å
114	D	95.8	Very high	95.6	Very high	31 Å²	31	59.9 Å²	59.9	17%	0.166	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-48.5	175.8	-74.1	2.6	0	0	0	109.5	A110 E111 L116 L117 D118 Y202 R206	A110-D114 PolarHBondContact O-N 3.15Å; E111-D114 PolarHBondContact O-N 3.4Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.05Å; D114-L117 PolarHBondContact O-N 3.2Å; D114-L117 VanDerWaalsContact O-N 3.16Å; D114-D118 WeakPolarHBondContact O-CB 3.23Å; D114-D118 PolarHBondContact O-N 2.7Å; D114-Y202 PolarHBondContact OD2-OH 2.89Å; D114-R206 IonicContact OD2-CZ 2.79Å; D114-R206 IonicContact OD2-NE 3.6Å; D114-R206 PolarHBondContact OD2-NE 3.28Å; D114-R206 VanDerWaalsContact OD2-NE 3.13Å; D114-R206 IonicContact OD2-NH2 3.88Å; D114-R206 PolarHBondContact OD2-NH2 3.29Å
115	D	96.7	Very high	95.6	Very high	93 Å²	93	62 Å²	62	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-37.8	175.3	-75.5	-16.3	0	0	0	113	E111 L113 K119	E111-D115 PolarHBondContact O-N 3.29Å; L113-D115 VanDerWaalsContact C-N 3.34Å; L113-D115 PolarHBondContact O-N 3.02Å; D115-K119 WeakPolarHBondContact O-CD 3.42Å; D115-K119 VanDerWaalsContact O-CG 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.41Å; D115-K119 PolarHBondContact O-N 3.27Å
116	L	95.4	Very high	95.8	Very high	7 Å²	7	58 Å²	58	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-44.3	177.6	175.6	63.9	0	0	0	111.1	V82 I85 E86 L89 M112 L113 D114 K119 R120	V82-L116 HydrophobicContact CG1-CD2 4.47Å; I85-L116 HydrophobicContact CG2-CD2 4.43Å; E86-L116 HydrophobicContact CB-CD1 4.04Å; E86-L116 HydrophobicContact CB-CD2 4.03Å; E86-L116 HydrophobicContact CG-CD1 3.81Å; L89-L116 HydrophobicContact CD1-CD2 3.97Å; M112-L116 WeakPolarHBondContact O-CB 3.33Å; M112-L116 PolarHBondContact O-N 2.98Å; M112-L116 VanDerWaalsContact O-N 3.1Å; L113-L116 HydrophobicContact CD1-CD2 4.5Å; L113-L116 WeakPolarHBondContact O-CB 3.33Å; L113-L116 PolarHBondContact O-N 3.13Å; L113-L116 VanDerWaalsContact O-N 3.16Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.05Å; L116-K119 PolarHBondContact O-N 2.87Å; L116-R120 WeakPolarHBondContact O-CD 3.28Å; L116-R120 VanDerWaalsContact O-CG 3.24Å; L116-R120 WeakPolarHBondContact O-CG 3.11Å; L116-R120 PolarHBondContact O-N 3.46Å
117	L	95.9	Very high	96	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-68.8	-39.4	179.6	-66.4	176.5	0	0	0	111.4	F98 L113 D114 K119 R120 D121 E122 L124	F98-L117 HydrophobicContact CE1-CD2 3.9Å; F98-L117 HydrophobicContact CZ-CD1 4.27Å; F98-L117 HydrophobicContact CZ-CD2 3.76Å; L113-L117 HydrophobicContact CD1-CD1 4.34Å; L113-L117 HydrophobicContact CD1-CG 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.19Å; L113-L117 HydrophobicContact CG-CG 4.48Å; L113-L117 WeakPolarHBondContact O-CG 3.29Å; L113-L117 PolarHBondContact O-N 2.99Å; D114-L117 PolarHBondContact O-N 3.2Å; D114-L117 VanDerWaalsContact O-N 3.16Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 2.78Å; L117-R120 CarbonylContact O-C 3.49Å; L117-R120 WeakPolarHBondContact O-CA 3.27Å; L117-R120 WeakPolarHBondContact O-CB 3.3Å; L117-R120 PolarHBondContact O-N 3.26Å; L117-D121 PolarHBondContact O-N 2.97Å; L117-D121 VanDerWaalsContact O-N 3.14Å; L117-E122 CarbonylContact C-O 3.55Å; L117-E122 HydrophobicContact CD2-CB 4.17Å; L117-E122 PolarHBondContact O-N 3.02Å; L117-L124 HydrophobicContact CD1-CB 4.24Å; L117-L124 HydrophobicContact CD1-CD1 4.5Å
118	D	96	Very high	96.2	Very high	119 Å²	119	54.5 Å²	54.5	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-60.4	-42.3	175.5	-78.9	-11.2	0	0	0	111.8	D114 R120 D121	D114-D118 WeakPolarHBondContact O-CB 3.23Å; D114-D118 PolarHBondContact O-N 2.7Å; D118-R120 PolarHBondContact O-N 3.4Å; D118-D121 PolarHBondContact O-N 2.88Å; D118-D121 VanDerWaalsContact O-N 3.11Å
119	K	96.1	Very high	96.3	Very high	171 Å²	171	51.6 Å²	51.6	74%	0.743	25%	0.248	S	C	*	.	H	α-helix	trans	-61.4	-23.5	174.2	-75.2	168.7	-172.5	167.8	0	113.4	D115 L116 L117	D115-K119 WeakPolarHBondContact O-CD 3.42Å; D115-K119 VanDerWaalsContact O-CG 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.41Å; D115-K119 PolarHBondContact O-N 3.27Å; L116-K119 PolarHBondContact O-N 2.87Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 2.78Å
120	R	94.2	Very high	96.4	Very high	74 Å²	74	51.4 Å²	51.4	28%	0.279	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.6	-179.2	-61.5	171.6	75	79.6	1.9	112.6	L89 D90 L116 L117 D118 E122	L89-R120 PolarHBondContact O-NH2 3.08Å; D90-R120 IonicContact OD1-CZ 3.13Å; D90-R120 VanDerWaalsContact OD1-CZ 3.26Å; D90-R120 IonicContact OD1-NH1 2.85Å; D90-R120 PolarHBondContact OD1-NH1 3.37Å; D90-R120 IonicContact OD1-NH2 3.37Å; D90-R120 PolarHBondContact OD1-NH2 3.44Å; L116-R120 WeakPolarHBondContact O-CD 3.28Å; L116-R120 VanDerWaalsContact O-CG 3.24Å; L116-R120 WeakPolarHBondContact O-CG 3.11Å; L116-R120 PolarHBondContact O-N 3.46Å; L117-R120 CarbonylContact O-C 3.49Å; L117-R120 WeakPolarHBondContact O-CA 3.27Å; L117-R120 WeakPolarHBondContact O-CB 3.3Å; L117-R120 PolarHBondContact O-N 3.26Å; D118-R120 PolarHBondContact O-N 3.4Å; R120-E122 HydrophobicContact CB-CB 4.24Å; R120-E122 HydrophobicContact CB-CG 3.81Å; R120-E122 IonicContact CZ-OE2 3.3Å; R120-E122 IonicContact NE-OE2 2.62Å; R120-E122 PolarHBondContact NE-OE2 3.33Å; R120-E122 PolarHBondContact O-N 3.32Å
121	D	95.1	Very high	96.3	Very high	153 Å²	153	54.3 Å²	54.3	82%	0.818	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.1	-169	-163.3	35.1	0	0	0	111.9	L117 D118	L117-D121 PolarHBondContact O-N 2.97Å; L117-D121 VanDerWaalsContact O-N 3.14Å; D118-D121 PolarHBondContact O-N 2.88Å; D118-D121 VanDerWaalsContact O-N 3.11Å
122	E	94.6	Very high	96.1	Very high	34 Å²	34	50.7 Å²	50.7	16%	0.159	25%	0.252	C	S	.	.			trans	-109.3	154.3	177.4	-63.3	-169	114.2	0	0	110.1	R19 L117 R120	R19-E122 IonicContact CZ-OE1 3.35Å; R19-E122 IonicContact NE-OE1 3.03Å; R19-E122 PolarHBondContact NE-OE1 3.36Å; R19-E122 IonicContact NH2-OE1 3.84Å; R19-E122 PolarHBondContact NH2-OE1 2.91Å; L117-E122 CarbonylContact C-O 3.55Å; L117-E122 HydrophobicContact CD2-CB 4.17Å; L117-E122 PolarHBondContact O-N 3.02Å; R120-E122 HydrophobicContact CB-CB 4.24Å; R120-E122 HydrophobicContact CB-CG 3.81Å; R120-E122 IonicContact CZ-OE2 3.3Å; R120-E122 IonicContact NE-OE2 2.62Å; R120-E122 PolarHBondContact NE-OE2 3.33Å; R120-E122 PolarHBondContact O-N 3.32Å
123	K	94.4	Very high	95.8	Very high	158 Å²	158	54.1 Å²	54.1	69%	0.687	27%	0.272	S	S	*	.			trans	-127.4	149	177.9	-65.5	-178.5	-178.1	176.9	0	110.4	R19	R19-K123 WeakPolarHBondContact CD-O 3.38Å
124	L	96.7	Very high	95.4	Very high	17 Å²	17	57 Å²	57	9%	0.089	29%	0.287	C	S	.	.			trans	-79.2	131.9	169.4	-163.8	74.7	0	0	0	109.7	R19 I21 F98 L117 V127 Y203 L208	R19-L124 HydrophobicContact CB-CD1 4.39Å; R19-L124 VanDerWaalsContact O-CD1 3.23Å; R19-L124 WeakPolarHBondContact O-CD1 3.46Å; I21-L124 HydrophobicContact CD1-CD1 4.17Å; I21-L124 HydrophobicContact CD1-CD2 3.38Å; I21-L124 HydrophobicContact CD1-CG 4.45Å; I21-L124 HydrophobicContact CG1-CD1 3.93Å; I21-L124 HydrophobicContact CG1-CD2 3.86Å; F98-L124 HydrophobicContact CE2-CD1 3.93Å; F98-L124 HydrophobicContact CZ-CD1 4.18Å; L117-L124 HydrophobicContact CD1-CB 4.24Å; L117-L124 HydrophobicContact CD1-CD1 4.5Å; L124-V127 HydrophobicContact CD2-CG2 3.43Å; L124-V127 VanDerWaalsContact CD2-CG2 3.43Å; L124-Y203 HydrophobicContact CD2-CE1 4.2Å; L124-L208 HydrophobicContact CB-CD1 4.35Å; L124-L208 HydrophobicContact CD2-CD1 4.3Å; L124-L208 WeakPolarHBondContact O-CD2 3.44Å
125	D	97	Very high	95	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.241	31%	0.309	C	S	.	.			trans	-86.5	-40.4	179.6	-59.2	-54.2	0	0	0	111.3	I18 R19 A232 T233	I18-D125 HydrophobicContact CD1-CB 3.66Å; I18-D125 HydrophobicContact CG1-CB 4.48Å; R19-D125 PolarHBondContact N-OD2 2.74Å; R19-D125 PolarHBondContact O-N 3.35Å; D125-A232 WeakPolarHBondContact O-CB 3.46Å; D125-T233 HydrophobicContact CB-CG2 4.12Å
126	S	97.6	Very high	94.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	149.3	-170.7	-171.1	0	0	0	0	113.8	R19 A20 I21	R19-S126 PolarHBondContact O-N 2.98Å; A20-S126 CarbonylContact C-O 3.6Å; A20-S126 WeakPolarHBondContact CA-O 3.13Å; A20-S126 VanDerWaalsContact CB-O 3.3Å; A20-S126 WeakPolarHBondContact CB-O 3.5Å; I21-S126 PolarHBondContact N-O 3.21Å
127	V	98.3	Very high	94.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.1	170.1	-178.4	0	0	0	0	109.3	I21 L23 L124 Y203 L208 H209 T210	I21-V127 HydrophobicContact CB-CG1 4.24Å; I21-V127 HydrophobicContact CB-CG2 4.14Å; I21-V127 HydrophobicContact CD1-CG2 4.13Å; I21-V127 HydrophobicContact CG2-CG1 4.34Å; L23-V127 HydrophobicContact CD1-CG1 3.45Å; L23-V127 VanDerWaalsContact CD1-CG1 3.45Å; L23-V127 HydrophobicContact CG-CG1 3.72Å; L124-V127 HydrophobicContact CD2-CG2 3.43Å; L124-V127 VanDerWaalsContact CD2-CG2 3.43Å; V127-Y203 HydrophobicContact CB-CD2 4.32Å; V127-Y203 HydrophobicContact CB-CG 4.16Å; V127-Y203 HydrophobicContact CG1-CD2 3.78Å; V127-Y203 HydrophobicContact CG1-CE2 4.33Å; V127-Y203 HydrophobicContact CG1-CG 4.11Å; V127-Y203 HydrophobicContact CG2-CD1 3.67Å; V127-Y203 HydrophobicContact CG2-CD2 3.92Å; V127-Y203 HydrophobicContact CG2-CE1 4.03Å; V127-Y203 HydrophobicContact CG2-CE2 4.23Å; V127-Y203 HydrophobicContact CG2-CG 3.62Å; V127-L208 HydrophobicContact CG2-CB 4.17Å; V127-L208 PolarHBondContact N-O 3.22Å; V127-H209 CarbonylContact O-C 2.97Å; V127-H209 WeakPolarHBondContact O-CA 3.49Å; V127-T210 PolarHBondContact O-N 3.21Å
128	I	98.4	Very high	93.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.9	-178.8	-59.3	-61.3	0	0	0	109.6	I21 L22 L23 F130 T210 V212 I225 A228 F229	I21-I128 PolarHBondContact O-N 3.34Å; L22-I128 HydrophobicContact CD2-CB 4.07Å; L22-I128 HydrophobicContact CD2-CG1 4.39Å; L23-I128 PolarHBondContact N-O 2.88Å; I128-F130 HydrophobicContact CG2-CD2 4.03Å; I128-F130 HydrophobicContact CG2-CE2 3.8Å; I128-T210 WeakPolarHBondContact CA-O 3.4Å; I128-V212 HydrophobicContact CG2-CG1 4.22Å; I128-V212 HydrophobicContact CG2-CG2 3.85Å; I128-I225 HydrophobicContact CD1-CG2 4.42Å; I128-I225 HydrophobicContact CG1-CG2 4.1Å; I128-I225 HydrophobicContact CG2-CD1 4.26Å; I128-I225 HydrophobicContact CG2-CG1 3.92Å; I128-A228 HydrophobicContact CD1-CB 3.64Å; I128-F229 HydrophobicContact CD1-CD1 4.13Å; I128-F229 HydrophobicContact CD1-CE1 3.88Å; I128-F229 HydrophobicContact CG1-CD1 4.17Å; I128-F229 HydrophobicContact CG1-CE1 3.41Å; I128-F229 VanDerWaalsContact CG1-CE1 3.41Å; I128-F229 HydrophobicContact CG1-CZ 4.04Å
129	E	97.7	Very high	93.3	Very high	32 Å²	32	61.5 Å²	61.5	15%	0.15	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.6	170.1	-179.6	-171.5	-172	0	0	110.8	L23 S131 V200 H209 T210 A211 V212	L23-E129 CarbonylContact O-C 3.56Å; L23-E129 WeakPolarHBondContact O-CA 3.35Å; E129-S131 PolarHBondContact O-N 3.23Å; E129-V200 HydrophobicContact CG-CG2 4.42Å; E129-H209 WeakPolarHBondContact CB-NE2 3.48Å; E129-H209 IonicContact OE2-CD2 3.56Å; E129-H209 IonicContact OE2-CE1 3.49Å; E129-H209 PolarHBondContact OE2-CE1 3.39Å; E129-H209 IonicContact OE2-NE2 2.75Å; E129-H209 PolarHBondContact OE2-NE2 2.85Å; E129-T210 PolarHBondContact N-O 2.92Å; E129-A211 HydrophobicContact CB-CB 4.32Å; E129-A211 CarbonylContact O-C 3.49Å; E129-A211 WeakPolarHBondContact O-CA 3.49Å; E129-V212 WeakPolarHBondContact O-CG2 3.45Å; E129-V212 PolarHBondContact O-N 3.44Å
130	F	97.4	Very high	93	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	93.4	171	-72.4	-116.4	0	0	0	109.4	L22 L23 A28 K30 Q33 I128 V212 A214 V221 I225	L22-F130 HydrophobicContact CB-CE2 4.12Å; L22-F130 HydrophobicContact CD2-CE2 4.16Å; L23-F130 VanDerWaalsContact O-CD2 3.31Å; L23-F130 WeakPolarHBondContact O-CD2 3.04Å; L23-F130 PolarHBondContact O-N 3.17Å; A28-F130 HydrophobicContact CB-CB 3.74Å; A28-F130 WeakPolarHBondContact O-CD1 3.41Å; K30-F130 HydrophobicContact CG-CD1 4.38Å; K30-F130 HydrophobicContact CG-CD2 3.85Å; K30-F130 HydrophobicContact CG-CE1 4.44Å; K30-F130 HydrophobicContact CG-CE2 3.93Å; K30-F130 HydrophobicContact CG-CG 4.09Å; K30-F130 HydrophobicContact CG-CZ 4.22Å; Q33-F130 HydrophobicContact CB-CE1 4.21Å; Q33-F130 HydrophobicContact CB-CZ 3.99Å; Q33-F130 HydrophobicContact CG-CE1 3.71Å; Q33-F130 HydrophobicContact CG-CZ 3.98Å; I128-F130 HydrophobicContact CG2-CD2 4.03Å; I128-F130 HydrophobicContact CG2-CE2 3.8Å; F130-V212 HydrophobicContact CG-CG2 4.48Å; F130-A214 HydrophobicContact CB-CB 3.78Å; F130-A214 HydrophobicContact CD1-CB 3.92Å; F130-A214 HydrophobicContact CG-CB 4.3Å; F130-V221 HydrophobicContact CD1-CG1 4.44Å; F130-V221 HydrophobicContact CE1-CG1 4.06Å; F130-I225 HydrophobicContact CE1-CD1 4.03Å; F130-I225 HydrophobicContact CE2-CD1 4.1Å; F130-I225 HydrophobicContact CZ-CD1 3.48Å; F130-I225 VanDerWaalsContact CZ-CD1 3.48Å
131	S	94.5	Very high	92.8	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.4	-179.3	-170	0	0	0	0	110.8	E129 V212 A214	E129-S131 PolarHBondContact O-N 3.23Å; S131-V212 PolarHBondContact N-O 2.65Å; S131-A214 WeakPolarHBondContact O-CB 3.28Å; S131-A214 PolarHBondContact O-N 3.19Å
132	V	92.9	Very high	92.4	Very high	21 Å²	21	47.6 Å²	47.6	13%	0.127	25%	0.247	C	C	.	.			trans	-160.9	144.3	-179.3	57.9	0	0	0	0	110.5	P25 A28 L136 L137 A214	P25-V132 HydrophobicContact CG-CG1 4.02Å; A28-V132 HydrophobicContact CB-CG1 3.73Å; V132-L136 HydrophobicContact CG2-CB 4.07Å; V132-L136 HydrophobicContact CG2-CD1 4.04Å; V132-L137 HydrophobicContact CG1-CD1 4.27Å; V132-L137 HydrophobicContact CG1-CD2 3.55Å; V132-L137 HydrophobicContact CG1-CG 4.13Å; V132-L137 HydrophobicContact CG2-CD2 4.32Å; V132-A214 HydrophobicContact CB-CB 4.17Å; V132-A214 HydrophobicContact CG1-CB 4.46Å
133	D	90.3	Very high	92.3	Very high	116 Å²	116	46.3 Å²	46.3	62%	0.62	24%	0.243	S	C	*	.			trans	-67.7	137.8	177.3	-68.4	-48.8	0	0	0	112.8	S135 L136	D133-S135 PolarHBondContact O-N 3.47Å; D133-S135 VanDerWaalsContact O-N 3.1Å; D133-L136 WeakPolarHBondContact O-CB 3.25Å; D133-L136 PolarHBondContact O-N 3.35Å
134	D	89.4	Confident	92.2	Very high	61 Å²	61	40.7 Å²	40.7	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-55.1	-32.6	179	-75.8	0.6	0	0	0	113.2	L136 L137 L189 H193	D134-L136 PolarHBondContact O-N 2.89Å; D134-L137 WeakPolarHBondContact O-CB 3.39Å; D134-L137 PolarHBondContact O-N 3.23Å; D134-L189 HydrophobicContact CB-CD1 4.18Å; D134-H193 IonicContact OD1-CE1 3.42Å; D134-H193 IonicContact OD1-NE2 3.75Å; D134-H193 PolarHBondContact OD1-NE2 3.12Å; D134-H193 IonicContact OD2-CD2 3.78Å; D134-H193 IonicContact OD2-CE1 2.57Å; D134-H193 IonicContact OD2-NE2 2.89Å; D134-H193 PolarHBondContact OD2-NE2 2.98Å
135	S	85.6	Confident	92	Very high	89 Å²	89	40 Å²	40	62%	0.622	21%	0.214	S	C	*	.	H	α-helix	trans	-61.1	-30.9	178.5	66.6	0	0	0	0	112.9	D133	D133-S135 PolarHBondContact O-N 3.47Å; D133-S135 VanDerWaalsContact O-N 3.1Å
136	L	85.4	Confident	91.8	Very high	71 Å²	71	38.1 Å²	38.1	37%	0.372	20%	0.203	S	C	.	.	H	α-helix	trans	-80.3	-23.9	176.9	-63.8	178.5	0	0	0	112.2	V132 D133 D134 R140	V132-L136 HydrophobicContact CG2-CB 4.07Å; V132-L136 HydrophobicContact CG2-CD1 4.04Å; D133-L136 WeakPolarHBondContact O-CB 3.25Å; D133-L136 PolarHBondContact O-N 3.35Å; D134-L136 PolarHBondContact O-N 2.89Å; L136-R140 WeakPolarHBondContact O-CG 3.46Å; L136-R140 PolarHBondContact O-N 3.28Å
137	L	90.7	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-73.6	-33.5	-174	-64.3	178.8	0	0	0	113.2	P25 G27 A28 V132 D134 R139 R140 I141 L189	P25-L137 HydrophobicContact CB-CD1 3.61Å; P25-L137 HydrophobicContact CG-CD1 3.42Å; P25-L137 VanDerWaalsContact CG-CD1 3.42Å; P25-L137 HydrophobicContact CG-CD2 4.44Å; G27-L137 VanDerWaalsContact C-CD2 3.47Å; A28-L137 HydrophobicContact CB-CD2 4.38Å; V132-L137 HydrophobicContact CG1-CD1 4.27Å; V132-L137 HydrophobicContact CG1-CD2 3.55Å; V132-L137 HydrophobicContact CG1-CG 4.13Å; V132-L137 HydrophobicContact CG2-CD2 4.32Å; D134-L137 WeakPolarHBondContact O-CB 3.39Å; D134-L137 PolarHBondContact O-N 3.23Å; L137-R139 PolarHBondContact O-N 3.49Å; L137-R140 PolarHBondContact O-N 3.3Å; L137-I141 PolarHBondContact O-N 3.2Å; L137-L189 HydrophobicContact CD1-CD2 3.52Å
138	V	87.6	Confident	90.9	Very high	43 Å²	43	44.2 Å²	44.2	26%	0.261	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-52	179.7	-176.2	0	0	0	0	110.9	R140 I141 C142 E182 L185	V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 2.94Å; V138-I141 PolarHBondContact O-N 2.98Å; V138-C142 PolarHBondContact O-N 3.39Å; V138-C142 VanDerWaalsContact O-N 3.13Å; V138-C142 PolarHBondContact O-SG 3.49Å; V138-C142 VanDerWaalsContact O-SG 3.37Å; V138-E182 HydrophobicContact CG1-CG 4.16Å; V138-L185 HydrophobicContact CB-CD2 4.11Å; V138-L185 HydrophobicContact CG2-CD2 3.87Å
139	R	85.5	Confident	90.3	Very high	145 Å²	145	49.1 Å²	49.1	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-45.1	177.6	-71.4	-176.8	64.1	-171.1	-1.1	111.3	L137 I141 G143 H155 E157 F158	L137-R139 PolarHBondContact O-N 3.49Å; R139-I141 VanDerWaalsContact C-N 3.33Å; R139-I141 PolarHBondContact O-N 2.93Å; R139-G143 PolarHBondContact O-N 3.1Å; R139-H155 PolarHBondContact O-NE2 2.89Å; R139-E157 IonicContact CZ-OE2 3.93Å; R139-E157 IonicContact NH2-OE2 2.91Å; R139-E157 PolarHBondContact NH2-OE2 2.87Å; R139-F158 HydrophobicContact CB-CE2 4.4Å
140	R	89.6	Confident	89.5	Confident	52 Å²	52	49.8 Å²	49.8	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-34.8	-178.5	-73.9	179	176.4	-167.8	-1	113.8	G27 L136 L137 V138 H155 F158 A214 S215	G27-R140 VanDerWaalsContact O-CD 3.3Å; G27-R140 WeakPolarHBondContact O-CD 3.33Å; L136-R140 WeakPolarHBondContact O-CG 3.46Å; L136-R140 PolarHBondContact O-N 3.28Å; L137-R140 PolarHBondContact O-N 3.3Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 2.94Å; R140-H155 WeakPolarHBondContact CA-NE2 3.36Å; R140-H155 PolarHBondContact O-CD2 3.13Å; R140-H155 PolarHBondContact O-NE2 3.42Å; R140-F158 HydrophobicContact CG-CD2 4.19Å; R140-F158 HydrophobicContact CG-CE2 4.08Å; R140-A214 PolarHBondContact NH1-O 3.48Å; R140-A214 PolarHBondContact NH2-O 3.29Å; R140-S215 PolarHBondContact NH2-O 3.31Å
141	I	89.5	Confident	88.8	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-79.2	-47	179.9	-76.6	-69.5	0	0	0	111.2	P26 L137 V138 R139 G143 R144 D180 L185	P26-I141 HydrophobicContact CB-CD1 4.17Å; L137-I141 PolarHBondContact O-N 3.2Å; V138-I141 PolarHBondContact O-N 2.98Å; R139-I141 VanDerWaalsContact C-N 3.33Å; R139-I141 PolarHBondContact O-N 2.93Å; I141-G143 PolarHBondContact O-N 3.26Å; I141-R144 WeakPolarHBondContact O-CB 3.4Å; I141-R144 PolarHBondContact O-N 2.83Å; I141-R144 VanDerWaalsContact O-N 3.11Å; I141-D180 HydrophobicContact CG2-CB 3.94Å; I141-L185 HydrophobicContact CB-CD2 4.08Å; I141-L185 HydrophobicContact CG1-CD1 3.94Å; I141-L185 HydrophobicContact CG1-CD2 4.21Å; I141-L185 HydrophobicContact CG2-CD2 4.42Å
142	C	88.3	Confident	88.4	Confident	50 Å²	50	51.3 Å²	51.3	34%	0.338	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-27.8	-175.8	-67.2	0	0	0	0	113.2	V138 R176	V138-C142 PolarHBondContact O-N 3.39Å; V138-C142 VanDerWaalsContact O-N 3.13Å; V138-C142 PolarHBondContact O-SG 3.49Å; V138-C142 VanDerWaalsContact O-SG 3.37Å; C142-R176 PolarHBondContact O-NH1 2.99Å
143	G	90.7	Very high	88.2	Confident	7 Å²	7	51.3 Å²	51.3	7%	0.072	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.2	176.8	0	0	0	0	0	115.1	R139 I141 H155 E156	R139-G143 PolarHBondContact O-N 3.1Å; I141-G143 PolarHBondContact O-N 3.26Å; G143-H155 VanDerWaalsContact O-CA 3.28Å; G143-H155 WeakPolarHBondContact O-CA 3.45Å; G143-E156 PolarHBondContact O-N 3.26Å
144	R	93.1	Very high	88.2	Confident	41 Å²	41	46.7 Å²	46.7	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.9	-176.2	-175.7	167	64	-175.1	3	112.3	I141 I146 Y154 D180	I141-R144 WeakPolarHBondContact O-CB 3.4Å; I141-R144 PolarHBondContact O-N 2.83Å; I141-R144 VanDerWaalsContact O-N 3.11Å; R144-I146 HydrophobicContact CG-CD1 4.15Å; R144-I146 HydrophobicContact CG-CG1 3.94Å; R144-Y154 WeakPolarHBondContact CA-O 3.46Å; R144-D180 IonicContact CZ-OD1 3.81Å; R144-D180 IonicContact CZ-OD2 2.73Å; R144-D180 VanDerWaalsContact CZ-OD2 3.3Å; R144-D180 IonicContact NE-OD1 2.71Å; R144-D180 IonicContact NE-OD2 3.26Å; R144-D180 PolarHBondContact NE-OD2 3.34Å; R144-D180 IonicContact NH2-OD1 3.47Å; R144-D180 PolarHBondContact NH2-OD1 2.73Å; R144-D180 IonicContact NH2-OD2 3.44Å; R144-D180 PolarHBondContact NH2-OD2 3.38Å
145	L	93.4	Very high	88.4	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.6	172	-50.7	175.7	0	0	0	109.6	S153 Y154 E156 P161 M165 L174 R176	L145-S153 CarbonylContact O-C 3.06Å; L145-S153 WeakPolarHBondContact O-CA 3.21Å; L145-Y154 PolarHBondContact N-O 2.84Å; L145-Y154 PolarHBondContact O-N 3.05Å; L145-E156 HydrophobicContact CD1-CG 4.06Å; L145-E156 HydrophobicContact CD2-CG 4.38Å; L145-E156 HydrophobicContact CG-CG 4.19Å; L145-P161 HydrophobicContact CD1-CG 4.41Å; L145-M165 HydrophobicContact CD1-SD 3.82Å; L145-M165 HydrophobicContact CD2-CE 4.48Å; L145-M165 HydrophobicContact CD2-SD 3.65Å; L145-M165 HydrophobicContact CG-SD 4.32Å; L145-L174 HydrophobicContact CB-CB 4.18Å; L145-L174 HydrophobicContact CB-CD1 3.96Å; L145-L174 HydrophobicContact CD1-CD1 4.06Å; L145-R176 HydrophobicContact CD2-CG 3.64Å
146	I	91.1	Very high	88.6	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.2	-172.3	-54.6	-178.8	0	0	0	110.9	R144 Q148 R152 L174 I175 R177	R144-I146 HydrophobicContact CG-CD1 4.15Å; R144-I146 HydrophobicContact CG-CG1 3.94Å; I146-Q148 PolarHBondContact O-N 2.75Å; I146-R152 WeakPolarHBondContact CA-O 3.41Å; I146-L174 WeakPolarHBondContact O-CA 3.28Å; I146-I175 PolarHBondContact N-O 3.2Å; I146-I175 WeakPolarHBondContact O-CG1 3.38Å; I146-I175 PolarHBondContact O-N 3.31Å; I146-R177 HydrophobicContact CD1-CG 3.73Å
147	H	91.7	Very high	88.7	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.014	23%	0.234	C	C	.	.			trans	-88.4	100.4	169.2	-175.5	-133.8	0	0	0	109.7	P149 S150 G151 R152 D167 T170 E172 L174	H147-P149 WeakPolarHBondContact NE2-CD 3.4Å; H147-S150 PolarHBondContact ND1-OG 2.72Å; H147-S150 PolarHBondContact O-N 3.36Å; H147-S150 VanDerWaalsContact O-N 3.12Å; H147-S150 PolarHBondContact O-OG 2.87Å; H147-G151 PolarHBondContact O-N 3.05Å; H147-R152 HydrophobicContact CB-CB 4.35Å; H147-R152 PolarHBondContact N-O 3.14Å; H147-R152 PolarHBondContact ND1-NH2 3.21Å; H147-R152 VanDerWaalsContact ND1-NH2 3.19Å; H147-D167 HydrophobicContact CB-CB 4.03Å; H147-D167 VanDerWaalsContact CB-OD1 3.31Å; H147-D167 WeakPolarHBondContact CB-OD1 3.43Å; H147-D167 IonicContact CG-OD1 2.69Å; H147-D167 IonicContact ND1-OD1 3.08Å; H147-D167 PolarHBondContact ND1-OD1 3.41Å; H147-D167 IonicContact ND1-OD2 3.31Å; H147-T170 PolarHBondContact CE1-OG1 3.11Å; H147-T170 VanDerWaalsContact CE1-OG1 3.26Å; H147-E172 IonicContact CE1-OE2 3.2Å; H147-E172 PolarHBondContact CE1-OE2 3.19Å; H147-E172 WeakPolarHBondContact NE2-CB 3.42Å; H147-E172 IonicContact NE2-OE2 3.39Å; H147-E172 PolarHBondContact NE2-OE2 3.39Å; H147-L174 HydrophobicContact CB-CD2 3.58Å
148	Q	85.9	Confident	88.3	Confident	127 Å²	127	51.4 Å²	51.4	59%	0.593	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-43.9	-169.3	-175.3	175.8	10.8	0	0	115	I146 S150 I175	I146-Q148 PolarHBondContact O-N 2.75Å; Q148-S150 VanDerWaalsContact C-N 3.28Å; Q148-S150 PolarHBondContact O-N 3.38Å; Q148-I175 HydrophobicContact CB-CD1 4.07Å; Q148-I175 HydrophobicContact CG-CD1 4.48Å
149	P	85.2	Confident	88.2	Confident	103 Å²	103	52.5 Å²	52.5	67%	0.669	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	179	-24.6	34.8	0	0	0	114.4	H147	H147-P149 WeakPolarHBondContact NE2-CD 3.4Å
150	S	82.6	Confident	88.5	Confident	46 Å²	46	49.1 Å²	49.1	32%	0.322	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-15.9	-172.8	72.2	0	0	0	0	114.9	H147 Q148 R152	H147-S150 PolarHBondContact ND1-OG 2.72Å; H147-S150 PolarHBondContact O-N 3.36Å; H147-S150 VanDerWaalsContact O-N 3.12Å; H147-S150 PolarHBondContact O-OG 2.87Å; Q148-S150 VanDerWaalsContact C-N 3.28Å; Q148-S150 PolarHBondContact O-N 3.38Å; S150-R152 VanDerWaalsContact CB-NH1 3.28Å; S150-R152 PolarHBondContact O-N 3.26Å; S150-R152 WeakPolarHBondContact OG-CB 3.41Å; S150-R152 WeakPolarHBondContact OG-CG 3.45Å; S150-R152 PolarHBondContact OG-N 3.39Å; S150-R152 VanDerWaalsContact OG-N 3.17Å; S150-R152 PolarHBondContact OG-NE 2.94Å; S150-R152 PolarHBondContact OG-NH2 2.95Å
151	G	81.1	Confident	88.8	Confident	19 Å²	19	47.6 Å²	47.6	20%	0.196	25%	0.254	C	S	.	.			trans	73.5	-4.9	-170.7	0	0	0	0	0	115.1	H147 S153	H147-G151 PolarHBondContact O-N 3.05Å; G151-S153 PolarHBondContact O-N 3.41Å; G151-S153 PolarHBondContact O-OG 3.31Å
152	R	86.7	Confident	89.1	Confident	73 Å²	73	55.2 Å²	55.2	28%	0.275	29%	0.287	S	S	.	.			trans	-55.1	132.7	177.6	-74.7	-174.5	-68.3	-85.3	-0.3	110.8	I146 H147 S150 Y154 D167	I146-R152 WeakPolarHBondContact CA-O 3.41Å; H147-R152 HydrophobicContact CB-CB 4.35Å; H147-R152 PolarHBondContact N-O 3.14Å; H147-R152 PolarHBondContact ND1-NH2 3.21Å; H147-R152 VanDerWaalsContact ND1-NH2 3.19Å; S150-R152 VanDerWaalsContact CB-NH1 3.28Å; S150-R152 PolarHBondContact O-N 3.26Å; S150-R152 WeakPolarHBondContact OG-CB 3.41Å; S150-R152 WeakPolarHBondContact OG-CG 3.45Å; S150-R152 PolarHBondContact OG-N 3.39Å; S150-R152 VanDerWaalsContact OG-N 3.17Å; S150-R152 PolarHBondContact OG-NE 2.94Å; S150-R152 PolarHBondContact OG-NH2 2.95Å; R152-Y154 HydrophobicContact CB-CE2 4.15Å; R152-D167 IonicContact CZ-OD1 3.08Å; R152-D167 IonicContact CZ-OD2 3.79Å; R152-D167 IonicContact NE-OD1 2.97Å; R152-D167 PolarHBondContact NE-OD1 2.9Å; R152-D167 IonicContact NE-OD2 2.8Å; R152-D167 PolarHBondContact NE-OD2 3.37Å; R152-D167 IonicContact NH2-OD1 2.7Å; R152-D167 PolarHBondContact NH2-OD1 3.33Å; R152-D167 IonicContact NH2-OD2 3.96Å; R152-D167 PolarHBondContact NH2-OD2 3.21Å
153	S	89.1	Confident	89.5	Confident	22 Å²	22	59 Å²	59	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.5	-176	-64.5	0	0	0	0	111.1	L145 G151 N159	L145-S153 CarbonylContact O-C 3.06Å; L145-S153 WeakPolarHBondContact O-CA 3.21Å; G151-S153 PolarHBondContact O-N 3.41Å; G151-S153 PolarHBondContact O-OG 3.31Å; S153-N159 PolarHBondContact O-ND2 3.13Å
154	Y	90.4	Very high	89.8	Confident	19 Å²	19	66.3 Å²	66.3	8%	0.075	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	170.5	178	-60.8	-91.8	0	0	0	109.7	R144 L145 R152 P161 D167 D168 L174	R144-Y154 WeakPolarHBondContact CA-O 3.46Å; L145-Y154 PolarHBondContact N-O 2.84Å; L145-Y154 PolarHBondContact O-N 3.05Å; R152-Y154 HydrophobicContact CB-CE2 4.15Å; Y154-P161 HydrophobicContact CD1-CB 3.88Å; Y154-P161 HydrophobicContact CE1-CB 4.15Å; Y154-P161 HydrophobicContact CG-CB 4.31Å; Y154-D167 PolarHBondContact OH-OD1 3.22Å; Y154-D168 HydrophobicContact CE1-CB 4.31Å; Y154-D168 WeakPolarHBondContact CE1-OD2 3.44Å; Y154-D168 WeakPolarHBondContact OH-CB 3.37Å; Y154-D168 PolarHBondContact OH-N 2.8Å; Y154-L174 HydrophobicContact CD2-CD1 3.66Å; Y154-L174 HydrophobicContact CD2-CD2 3.7Å; Y154-L174 HydrophobicContact CD2-CG 4.36Å; Y154-L174 HydrophobicContact CE2-CD1 4.2Å; Y154-L174 HydrophobicContact CE2-CD2 3.72Å; Y154-L174 HydrophobicContact CG-CD1 4.03Å
155	H	92.3	Very high	89.9	Confident	14 Å²	14	67 Å²	67	7%	0.065	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.8	172.9	-169.2	-66.9	0	0	0	111	R139 R140 G143 E157 F158 N159 P160	R139-H155 PolarHBondContact O-NE2 2.89Å; R140-H155 WeakPolarHBondContact CA-NE2 3.36Å; R140-H155 PolarHBondContact O-CD2 3.13Å; R140-H155 PolarHBondContact O-NE2 3.42Å; G143-H155 VanDerWaalsContact O-CA 3.28Å; G143-H155 WeakPolarHBondContact O-CA 3.45Å; H155-E157 PolarHBondContact ND1-N 3.03Å; H155-E157 PolarHBondContact O-N 3.38Å; H155-F158 HydrophobicContact CB-CB 4.3Å; H155-F158 AromaticContact CD2-CD2 3.64Å; H155-F158 AromaticContact CE1-CD2 3.33Å; H155-F158 WeakPolarHBondContact CE1-CD2 3.36Å; H155-F158 AromaticContact CE1-CE2 3.48Å; H155-F158 VanDerWaalsContact CE1-CE2 3.48Å; H155-F158 WeakPolarHBondContact CE1-CE2 3.31Å; H155-F158 AromaticContact CG-CD2 3.67Å; H155-F158 AromaticContact ND1-CD2 3.49Å; H155-F158 WeakPolarHBondContact ND1-CD2 3.2Å; H155-F158 PolarHBondContact ND1-N 3.27Å; H155-F158 AromaticContact NE2-CD2 3.42Å; H155-F158 WeakPolarHBondContact NE2-CD2 3.42Å; H155-F158 AromaticContact NE2-CE2 3.56Å; H155-N159 HydrophobicContact CB-CB 4.41Å; H155-N159 PolarHBondContact N-O 3.37Å; H155-N159 CarbonylContact O-C 3.5Å; H155-N159 PolarHBondContact O-N 3.5Å; H155-N159 VanDerWaalsContact O-O 3.07Å; H155-P160 WeakPolarHBondContact O-CA 3.42Å
156	E	91	Very high	90.1	Very high	81 Å²	81	72 Å²	72	38%	0.379	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.8	-177.3	-60.7	-168	147.4	0	0	115.9	G143 L145 R176	G143-E156 PolarHBondContact O-N 3.26Å; L145-E156 HydrophobicContact CD1-CG 4.06Å; L145-E156 HydrophobicContact CD2-CG 4.38Å; L145-E156 HydrophobicContact CG-CG 4.19Å; E156-R176 IonicContact OE1-CZ 2.86Å; E156-R176 IonicContact OE1-NE 2.88Å; E156-R176 IonicContact OE1-NH2 3.39Å; E156-R176 PolarHBondContact OE1-NH2 2.87Å; E156-R176 IonicContact OE2-CZ 2.7Å; E156-R176 IonicContact OE2-NH2 3.31Å; E156-R176 PolarHBondContact OE2-NH2 3.15Å
157	E	86.6	Confident	90.4	Very high	117 Å²	117	71.9 Å²	71.9	55%	0.547	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-53.1	-172.7	-67.9	178.6	-153	0	0	110	R139 H155	R139-E157 IonicContact CZ-OE2 3.93Å; R139-E157 IonicContact NH2-OE2 2.91Å; R139-E157 PolarHBondContact NH2-OE2 2.87Å; H155-E157 PolarHBondContact ND1-N 3.03Å; H155-E157 PolarHBondContact O-N 3.38Å
158	F	82.6	Confident	90.5	Very high	108 Å²	108	74.4 Å²	74.4	47%	0.474	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-21.2	-171.5	-52	-61.3	0	0	0	114.5	R139 R140 H155	R139-F158 HydrophobicContact CB-CE2 4.4Å; R140-F158 HydrophobicContact CG-CD2 4.19Å; R140-F158 HydrophobicContact CG-CE2 4.08Å; H155-F158 HydrophobicContact CB-CB 4.3Å; H155-F158 AromaticContact CD2-CD2 3.64Å; H155-F158 AromaticContact CE1-CD2 3.33Å; H155-F158 WeakPolarHBondContact CE1-CD2 3.36Å; H155-F158 AromaticContact CE1-CE2 3.48Å; H155-F158 VanDerWaalsContact CE1-CE2 3.48Å; H155-F158 WeakPolarHBondContact CE1-CE2 3.31Å; H155-F158 AromaticContact CG-CD2 3.67Å; H155-F158 AromaticContact ND1-CD2 3.49Å; H155-F158 WeakPolarHBondContact ND1-CD2 3.2Å; H155-F158 PolarHBondContact ND1-N 3.27Å; H155-F158 AromaticContact NE2-CD2 3.42Å; H155-F158 WeakPolarHBondContact NE2-CD2 3.42Å; H155-F158 AromaticContact NE2-CE2 3.56Å
159	N	85.9	Confident	90.9	Very high	66 Å²	66	73.6 Å²	73.6	35%	0.353	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-156	63.4	179.2	-174.1	39.4	0	0	0	110	S153 H155	S153-N159 PolarHBondContact O-ND2 3.13Å; H155-N159 HydrophobicContact CB-CB 4.41Å; H155-N159 PolarHBondContact N-O 3.37Å; H155-N159 CarbonylContact O-C 3.5Å; H155-N159 PolarHBondContact O-N 3.5Å; H155-N159 VanDerWaalsContact O-O 3.07Å
160	P	92.4	Very high	91.4	Very high	74 Å²	74	72 Å²	72	48%	0.481	36%	0.364	S	S	.	.			trans	-68	142.9	-173.6	27.9	-34.4	0	0	0	110.5	H155	H155-P160 WeakPolarHBondContact O-CA 3.42Å
161	P	95.3	Very high	92	Very high	19 Å²	19	71.6 Å²	71.6	12%	0.123	37%	0.367	C	S	.	.			trans	-64.1	152.5	170.5	30.7	-35.3	0	0	0	110	L145 Y154 H163 K166 L174	L145-P161 HydrophobicContact CD1-CG 4.41Å; Y154-P161 HydrophobicContact CD1-CB 3.88Å; Y154-P161 HydrophobicContact CE1-CB 4.15Å; Y154-P161 HydrophobicContact CG-CB 4.31Å; P161-H163 WeakPolarHBondContact CB-O 3.46Å; P161-H163 WeakPolarHBondContact CG-O 3.47Å; P161-H163 PolarHBondContact O-N 3.36Å; P161-K166 WeakPolarHBondContact CB-O 3.43Å; P161-L174 HydrophobicContact CB-CD1 3.97Å; P161-L174 HydrophobicContact CG-CD1 3.89Å
162	K	96.1	Very high	92.8	Very high	163 Å²	163	75 Å²	75	71%	0.709	38%	0.378	S	S	*	.	S	Bend	trans	-59.2	-34.1	176.2	-66.8	173.5	-174.6	174.2	0	111.9	D168	K162-D168 VanDerWaalsContact CB-OD1 3.31Å; K162-D168 WeakPolarHBondContact CB-OD1 3.25Å; K162-D168 HydrophobicContact CD-CB 4.35Å; K162-D168 WeakPolarHBondContact CG-OD1 3.25Å; K162-D168 PolarHBondContact N-OD1 3.07Å
163	H	96.1	Very high	93.3	Very high	130 Å²	130	76.2 Å²	76.2	60%	0.602	40%	0.395	S	S	*	.	S	Bend	trans	-122.4	134.6	174.7	-64.5	-66.3	0	0	0	110.1	P161 M165 K166	P161-H163 WeakPolarHBondContact CB-O 3.46Å; P161-H163 WeakPolarHBondContact CG-O 3.47Å; P161-H163 PolarHBondContact O-N 3.36Å; H163-M165 PolarHBondContact O-N 2.86Å; H163-K166 HydrophobicContact CB-CB 4.02Å; H163-K166 HydrophobicContact CB-CD 4.2Å; H163-K166 HydrophobicContact CB-CG 4.46Å; H163-K166 PolarHBondContact O-N 2.87Å
164	H	96.4	Very high	93.6	Very high	160 Å²	160	75.5 Å²	75.5	74%	0.741	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	124.6	-177.3	178.7	-99.5	0	0	0	111.7	K166	H164-K166 PolarHBondContact O-N 2.95Å
165	M	96.4	Very high	93.8	Very high	55 Å²	55	77.8 Å²	77.8	27%	0.271	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.9	179.3	-66.6	-67.7	-73.5	0	0	114.7	L145 H163 P173 L174	L145-M165 HydrophobicContact CD1-SD 3.82Å; L145-M165 HydrophobicContact CD2-CE 4.48Å; L145-M165 HydrophobicContact CD2-SD 3.65Å; L145-M165 HydrophobicContact CG-SD 4.32Å; H163-M165 PolarHBondContact O-N 2.86Å; M165-P173 WeakPolarHBondContact O-CA 3.36Å; M165-L174 WeakPolarHBondContact CE-O 3.36Å; M165-L174 PolarHBondContact O-N 3.14Å; M165-L174 HydrophobicContact SD-CB 4.46Å
166	K	97.4	Very high	93.7	Very high	108 Å²	108	83.4 Å²	83.4	47%	0.47	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-127.3	141.5	175.8	-66.7	-172.1	175.4	-168.8	0	112.1	P161 H163 H164 E172	P161-K166 WeakPolarHBondContact CB-O 3.43Å; H163-K166 HydrophobicContact CB-CB 4.02Å; H163-K166 HydrophobicContact CB-CD 4.2Å; H163-K166 HydrophobicContact CB-CG 4.46Å; H163-K166 PolarHBondContact O-N 2.87Å; H164-K166 PolarHBondContact O-N 2.95Å; K166-E172 CarbonylContact C-O 3.57Å; K166-E172 WeakPolarHBondContact CA-O 3.5Å
167	D	96.4	Very high	93.5	Very high	3 Å²	3	81.3 Å²	81.3	2%	0.016	41%	0.412	C	S	.	.			trans	-66.3	136.1	171.9	-177.6	82.6	0	0	0	111	H147 R152 Y154 V169 T170 G171 E172 L174	H147-D167 HydrophobicContact CB-CB 4.03Å; H147-D167 VanDerWaalsContact CB-OD1 3.31Å; H147-D167 WeakPolarHBondContact CB-OD1 3.43Å; H147-D167 IonicContact CG-OD1 2.69Å; H147-D167 IonicContact ND1-OD1 3.08Å; H147-D167 PolarHBondContact ND1-OD1 3.41Å; H147-D167 IonicContact ND1-OD2 3.31Å; R152-D167 IonicContact CZ-OD1 3.08Å; R152-D167 IonicContact CZ-OD2 3.79Å; R152-D167 IonicContact NE-OD1 2.97Å; R152-D167 PolarHBondContact NE-OD1 2.9Å; R152-D167 IonicContact NE-OD2 2.8Å; R152-D167 PolarHBondContact NE-OD2 3.37Å; R152-D167 IonicContact NH2-OD1 2.7Å; R152-D167 PolarHBondContact NH2-OD1 3.33Å; R152-D167 IonicContact NH2-OD2 3.96Å; R152-D167 PolarHBondContact NH2-OD2 3.21Å; Y154-D167 PolarHBondContact OH-OD1 3.22Å; D167-V169 PolarHBondContact O-N 3.43Å; D167-V169 WeakPolarHBondContact OD2-CA 3.46Å; D167-V169 WeakPolarHBondContact OD2-CB 3.3Å; D167-V169 PolarHBondContact OD2-N 3.19Å; D167-T170 PolarHBondContact OD2-N 3.24Å; D167-T170 PolarHBondContact OD2-OG1 2.93Å; D167-G171 WeakPolarHBondContact O-CA 3.31Å; D167-G171 PolarHBondContact O-N 2.81Å; D167-E172 PolarHBondContact N-O 3.32Å; D167-L174 HydrophobicContact CB-CD2 4.06Å
168	D	94.8	Very high	93.4	Very high	56 Å²	56	80.1 Å²	80.1	30%	0.299	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.8	-175.3	-75.2	-13.3	0	0	0	113.9	Y154 K162	Y154-D168 HydrophobicContact CE1-CB 4.31Å; Y154-D168 WeakPolarHBondContact CE1-OD2 3.44Å; Y154-D168 WeakPolarHBondContact OH-CB 3.37Å; Y154-D168 PolarHBondContact OH-N 2.8Å; K162-D168 VanDerWaalsContact CB-OD1 3.31Å; K162-D168 WeakPolarHBondContact CB-OD1 3.25Å; K162-D168 HydrophobicContact CD-CB 4.35Å; K162-D168 WeakPolarHBondContact CG-OD1 3.25Å; K162-D168 PolarHBondContact N-OD1 3.07Å
169	V	93.8	Very high	93.3	Very high	110 Å²	110	75.6 Å²	75.6	67%	0.667	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-47	-176.8	-178.6	0	0	0	0	110.6	D167	D167-V169 PolarHBondContact O-N 3.43Å; D167-V169 WeakPolarHBondContact OD2-CA 3.46Å; D167-V169 WeakPolarHBondContact OD2-CB 3.3Å; D167-V169 PolarHBondContact OD2-N 3.19Å
170	T	96.2	Very high	93.3	Very high	69 Å²	69	73.4 Å²	73.4	42%	0.423	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-20	-174.7	64.9	0	0	0	0	113.4	H147 D167 E172	H147-T170 PolarHBondContact CE1-OG1 3.11Å; H147-T170 VanDerWaalsContact CE1-OG1 3.26Å; D167-T170 PolarHBondContact OD2-N 3.24Å; D167-T170 PolarHBondContact OD2-OG1 2.93Å; T170-E172 VanDerWaalsContact CB-OE2 3.25Å; T170-E172 WeakPolarHBondContact CB-OE2 3.29Å; T170-E172 PolarHBondContact O-N 2.62Å; T170-E172 WeakPolarHBondContact OG1-CB 3.32Å; T170-E172 WeakPolarHBondContact OG1-CG 3.49Å; T170-E172 PolarHBondContact OG1-N 3.28Å; T170-E172 PolarHBondContact OG1-OE2 2.92Å
171	G	95.8	Very high	93.1	Very high	38 Å²	38	72.4 Å²	72.4	39%	0.392	38%	0.376	S	S	.	.			trans	72.8	3.2	-172.3	0	0	0	0	0	114.2	D167	D167-G171 WeakPolarHBondContact O-CA 3.31Å; D167-G171 PolarHBondContact O-N 2.81Å
172	E	97.1	Very high	92.7	Very high	89 Å²	89	75.8 Å²	75.8	42%	0.416	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.1	159	178.9	-68.8	171.6	129.6	0	0	111.7	H147 K166 D167 T170	H147-E172 IonicContact CE1-OE2 3.2Å; H147-E172 PolarHBondContact CE1-OE2 3.19Å; H147-E172 WeakPolarHBondContact NE2-CB 3.42Å; H147-E172 IonicContact NE2-OE2 3.39Å; H147-E172 PolarHBondContact NE2-OE2 3.39Å; K166-E172 CarbonylContact C-O 3.57Å; K166-E172 WeakPolarHBondContact CA-O 3.5Å; D167-E172 PolarHBondContact N-O 3.32Å; T170-E172 VanDerWaalsContact CB-OE2 3.25Å; T170-E172 WeakPolarHBondContact CB-OE2 3.29Å; T170-E172 PolarHBondContact O-N 2.62Å; T170-E172 WeakPolarHBondContact OG1-CB 3.32Å; T170-E172 WeakPolarHBondContact OG1-CG 3.49Å; T170-E172 PolarHBondContact OG1-N 3.28Å; T170-E172 PolarHBondContact OG1-OE2 2.92Å
173	P	96.8	Very high	92.4	Very high	99 Å²	99	73.1 Å²	73.1	64%	0.643	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-63.4	138.9	-177.1	-22.1	34	0	0	0	113.6	M165	M165-P173 WeakPolarHBondContact O-CA 3.36Å
174	L	96.1	Very high	92	Very high	7 Å²	7	68 Å²	68	4%	0.037	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-84.8	154.2	165.4	-58	178.8	0	0	0	110.5	L145 I146 H147 Y154 P161 M165 D167	L145-L174 HydrophobicContact CB-CB 4.18Å; L145-L174 HydrophobicContact CB-CD1 3.96Å; L145-L174 HydrophobicContact CD1-CD1 4.06Å; I146-L174 WeakPolarHBondContact O-CA 3.28Å; H147-L174 HydrophobicContact CB-CD2 3.58Å; Y154-L174 HydrophobicContact CD2-CD1 3.66Å; Y154-L174 HydrophobicContact CD2-CD2 3.7Å; Y154-L174 HydrophobicContact CD2-CG 4.36Å; Y154-L174 HydrophobicContact CE2-CD1 4.2Å; Y154-L174 HydrophobicContact CE2-CD2 3.72Å; Y154-L174 HydrophobicContact CG-CD1 4.03Å; P161-L174 HydrophobicContact CB-CD1 3.97Å; P161-L174 HydrophobicContact CG-CD1 3.89Å; M165-L174 WeakPolarHBondContact CE-O 3.36Å; M165-L174 PolarHBondContact O-N 3.14Å; M165-L174 HydrophobicContact SD-CB 4.46Å; D167-L174 HydrophobicContact CB-CD2 4.06Å
175	I	93.6	Very high	91.7	Very high	67 Å²	67	60.4 Å²	60.4	34%	0.344	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-123.3	156.3	174.9	64.9	165	0	0	0	111.2	I146 Q148	I146-I175 PolarHBondContact N-O 3.2Å; I146-I175 WeakPolarHBondContact O-CG1 3.38Å; I146-I175 PolarHBondContact O-N 3.31Å; Q148-I175 HydrophobicContact CB-CD1 4.07Å; Q148-I175 HydrophobicContact CG-CD1 4.48Å
176	R	91.3	Very high	91.3	Very high	133 Å²	133	64.9 Å²	64.9	50%	0.502	34%	0.344	S	S	.	.			trans	-96.3	139.7	161.7	-68	-179.5	-179.5	-140.5	14.3	108.4	C142 L145 E156	C142-R176 PolarHBondContact O-NH1 2.99Å; L145-R176 HydrophobicContact CD2-CG 3.64Å; E156-R176 IonicContact OE1-CZ 2.86Å; E156-R176 IonicContact OE1-NE 2.88Å; E156-R176 IonicContact OE1-NH2 3.39Å; E156-R176 PolarHBondContact OE1-NH2 2.87Å; E156-R176 IonicContact OE2-CZ 2.7Å; E156-R176 IonicContact OE2-NH2 3.31Å; E156-R176 PolarHBondContact OE2-NH2 3.15Å
177	R	87.1	Confident	91	Very high	37 Å²	37	62.4 Å²	62.4	14%	0.14	34%	0.34	C	S	.	.			trans	-80	145.4	173.9	-50.6	-177.2	161.9	141.6	3.2	110	D50 R53 I146 D179 D180	D50-R177 IonicContact OD1-CZ 2.73Å; D50-R177 IonicContact OD1-NH2 3.89Å; D50-R177 PolarHBondContact OD1-NH2 3.12Å; D50-R177 IonicContact OD2-NH2 3.38Å; R53-R177 VanDerWaalsContact NH2-NH2 3.17Å; I146-R177 HydrophobicContact CD1-CG 3.73Å; R177-D179 WeakPolarHBondContact CB-OD1 3.35Å; R177-D179 PolarHBondContact O-N 2.71Å; R177-D180 HydrophobicContact CB-CB 4.45Å; R177-D180 PolarHBondContact O-N 3.23Å
178	S	83.8	Confident	90.6	Very high	92 Å²	92	64.3 Å²	64.3	64%	0.643	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.4	-180	51.3	0	0	0	0	113.2	D180 N181	S178-D180 VanDerWaalsContact C-N 3.35Å; S178-N181 PolarHBondContact O-ND2 2.86Å; S178-N181 VanDerWaalsContact O-ND2 3.12Å
179	D	81.3	Confident	90.4	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.07	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.1	178.9	58.4	-36.7	0	0	0	113.9	R53 R177 N181 T184 R188	R53-D179 IonicContact NH1-OD2 2.65Å; R177-D179 WeakPolarHBondContact CB-OD1 3.35Å; R177-D179 PolarHBondContact O-N 2.71Å; D179-N181 VanDerWaalsContact C-N 3.3Å; D179-N181 PolarHBondContact O-N 3.13Å; D179-T184 HydrophobicContact CB-CG2 3.94Å; D179-T184 WeakPolarHBondContact O-CB 3.23Å; D179-T184 WeakPolarHBondContact O-CG2 3.46Å; D179-R188 IonicContact OD2-CZ 3.3Å; D179-R188 IonicContact OD2-NH1 3.47Å; D179-R188 PolarHBondContact OD2-NH1 3.39Å; D179-R188 IonicContact OD2-NH2 3.07Å; D179-R188 PolarHBondContact OD2-NH2 2.98Å
180	D	86.1	Confident	90.3	Very high	19 Å²	19	61 Å²	61	10%	0.102	33%	0.326	C	S	.	.			trans	-90.2	64.4	175.9	-74.2	-6.9	0	0	0	110.8	I141 R144 R177 S178	I141-D180 HydrophobicContact CG2-CB 3.94Å; R144-D180 IonicContact CZ-OD1 3.81Å; R144-D180 IonicContact CZ-OD2 2.73Å; R144-D180 VanDerWaalsContact CZ-OD2 3.3Å; R144-D180 IonicContact NE-OD1 2.71Å; R144-D180 IonicContact NE-OD2 3.26Å; R144-D180 PolarHBondContact NE-OD2 3.34Å; R144-D180 IonicContact NH2-OD1 3.47Å; R144-D180 PolarHBondContact NH2-OD1 2.73Å; R144-D180 IonicContact NH2-OD2 3.44Å; R144-D180 PolarHBondContact NH2-OD2 3.38Å; R177-D180 HydrophobicContact CB-CB 4.45Å; R177-D180 PolarHBondContact O-N 3.23Å; S178-D180 VanDerWaalsContact C-N 3.35Å
181	N	86.4	Confident	90	Very high	54 Å²	54	58.4 Å²	58.4	29%	0.289	31%	0.312	S	S	.	.	S	Bend	trans	-135.3	161.4	177.2	68.1	75.1	0	0	0	110.9	S178 D179 T183 T184 L185	S178-N181 PolarHBondContact O-ND2 2.86Å; S178-N181 VanDerWaalsContact O-ND2 3.12Å; D179-N181 VanDerWaalsContact C-N 3.3Å; D179-N181 PolarHBondContact O-N 3.13Å; N181-T183 PolarHBondContact O-N 3.05Å; N181-T183 WeakPolarHBondContact OD1-CB 3.27Å; N181-T183 PolarHBondContact OD1-N 2.89Å; N181-T184 PolarHBondContact ND2-OG1 3.48Å; N181-T184 PolarHBondContact O-N 3.19Å; N181-T184 PolarHBondContact OD1-N 2.87Å; N181-T184 PolarHBondContact OD1-OG1 2.88Å; N181-L185 WeakPolarHBondContact O-CB 3.35Å; N181-L185 PolarHBondContact O-N 2.8Å
182	E	88.7	Confident	89.8	Confident	89 Å²	89	57.6 Å²	57.6	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-43	-174.9	-172.4	-178.9	162.3	0	0	112.9	V138 L185 R186	V138-E182 HydrophobicContact CG1-CG 4.16Å; E182-L185 PolarHBondContact O-N 3.08Å; E182-R186 WeakPolarHBondContact O-CG 3.4Å; E182-R186 PolarHBondContact O-N 2.95Å; E182-R186 IonicContact OE1-CZ 3.86Å; E182-R186 VanDerWaalsContact OE1-CZ 3.3Å; E182-R186 IonicContact OE1-NE 3.7Å; E182-R186 PolarHBondContact OE1-NE 2.92Å; E182-R186 IonicContact OE1-NH2 2.75Å; E182-R186 PolarHBondContact OE1-NH2 3.43Å
183	T	88.6	Confident	89.6	Confident	108 Å²	108	57.1 Å²	57.1	66%	0.663	30%	0.295	S	S	*	.	H	α-helix	trans	-61	-51.9	-179	-54.1	0	0	0	0	111.1	N181 L185 R186 S187	N181-T183 PolarHBondContact O-N 3.05Å; N181-T183 WeakPolarHBondContact OD1-CB 3.27Å; N181-T183 PolarHBondContact OD1-N 2.89Å; T183-L185 VanDerWaalsContact C-N 3.3Å; T183-L185 PolarHBondContact O-N 2.7Å; T183-R186 PolarHBondContact O-N 3.38Å; T183-S187 PolarHBondContact O-N 3.32Å; T183-S187 PolarHBondContact O-OG 2.97Å
184	T	87.5	Confident	89.3	Confident	21 Å²	21	60.8 Å²	60.8	13%	0.129	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-35.9	178.4	-57.4	0	0	0	0	111.4	D179 N181 R188	D179-T184 HydrophobicContact CB-CG2 3.94Å; D179-T184 WeakPolarHBondContact O-CB 3.23Å; D179-T184 WeakPolarHBondContact O-CG2 3.46Å; N181-T184 PolarHBondContact ND2-OG1 3.48Å; N181-T184 PolarHBondContact O-N 3.19Å; N181-T184 PolarHBondContact OD1-N 2.87Å; N181-T184 PolarHBondContact OD1-OG1 2.88Å; T184-R188 HydrophobicContact CG2-CG 4.45Å; T184-R188 VanDerWaalsContact O-CG 3.25Å; T184-R188 WeakPolarHBondContact O-CG 3.35Å; T184-R188 PolarHBondContact O-N 3.08Å
185	L	89.7	Confident	88.9	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-47.7	175.5	177.7	60.5	0	0	0	111.9	P26 V138 I141 N181 E182 T183 S187 R188 L189	P26-L185 HydrophobicContact CB-CD1 4.07Å; P26-L185 HydrophobicContact CG-CD1 4.45Å; V138-L185 HydrophobicContact CB-CD2 4.11Å; V138-L185 HydrophobicContact CG2-CD2 3.87Å; I141-L185 HydrophobicContact CB-CD2 4.08Å; I141-L185 HydrophobicContact CG1-CD1 3.94Å; I141-L185 HydrophobicContact CG1-CD2 4.21Å; I141-L185 HydrophobicContact CG2-CD2 4.42Å; N181-L185 WeakPolarHBondContact O-CB 3.35Å; N181-L185 PolarHBondContact O-N 2.8Å; E182-L185 PolarHBondContact O-N 3.08Å; T183-L185 VanDerWaalsContact C-N 3.3Å; T183-L185 PolarHBondContact O-N 2.7Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.39Å; L185-R188 CarbonylContact O-C 3.52Å; L185-R188 WeakPolarHBondContact O-CA 3.43Å; L185-R188 WeakPolarHBondContact O-CB 3.49Å; L185-R188 PolarHBondContact O-N 2.86Å; L185-L189 HydrophobicContact CD1-CD1 4.12Å; L185-L189 HydrophobicContact CD1-CD2 4.34Å; L185-L189 HydrophobicContact CD1-CG 3.93Å; L185-L189 HydrophobicContact CD2-CD1 4.45Å; L185-L189 HydrophobicContact CG-CD1 3.92Å; L185-L189 HydrophobicContact CG-CG 4.19Å; L185-L189 WeakPolarHBondContact O-CG 3.36Å; L185-L189 PolarHBondContact O-N 3Å
186	R	89.6	Confident	88.6	Confident	148 Å²	148	61.6 Å²	61.6	56%	0.558	30%	0.299	S	S	*	.	H	α-helix	trans	-55.1	-49.7	178.5	-74.2	174	-178.8	-90.4	3.1	111.3	E182 T183 R188 L189 D190	E182-R186 WeakPolarHBondContact O-CG 3.4Å; E182-R186 PolarHBondContact O-N 2.95Å; E182-R186 IonicContact OE1-CZ 3.86Å; E182-R186 VanDerWaalsContact OE1-CZ 3.3Å; E182-R186 IonicContact OE1-NE 3.7Å; E182-R186 PolarHBondContact OE1-NE 2.92Å; E182-R186 IonicContact OE1-NH2 2.75Å; E182-R186 PolarHBondContact OE1-NH2 3.43Å; T183-R186 PolarHBondContact O-N 3.38Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.33Å; R186-L189 PolarHBondContact O-N 3.03Å; R186-D190 PolarHBondContact O-N 3.17Å
187	S	89.4	Confident	88.5	Confident	56 Å²	56	57.1 Å²	57.1	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-35.1	177.1	-56.5	0	0	0	0	112.9	T183 L185 A191	T183-S187 PolarHBondContact O-N 3.32Å; T183-S187 PolarHBondContact O-OG 2.97Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.39Å; S187-A191 WeakPolarHBondContact O-CB 3.19Å; S187-A191 PolarHBondContact O-N 3.39Å
188	R	89.2	Confident	88.9	Confident	43 Å²	43	57.9 Å²	57.9	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-74.6	-34.8	177.4	-71.8	173.1	173	-171.8	-5.6	113.4	P26 M70 D179 T184 L185 R186 A191 Y192	P26-R188 HydrophobicContact CG-CB 3.85Å; M70-R188 PolarHBondContact O-NH2 3.12Å; D179-R188 IonicContact OD2-CZ 3.3Å; D179-R188 IonicContact OD2-NH1 3.47Å; D179-R188 PolarHBondContact OD2-NH1 3.39Å; D179-R188 IonicContact OD2-NH2 3.07Å; D179-R188 PolarHBondContact OD2-NH2 2.98Å; T184-R188 HydrophobicContact CG2-CG 4.45Å; T184-R188 VanDerWaalsContact O-CG 3.25Å; T184-R188 WeakPolarHBondContact O-CG 3.35Å; T184-R188 PolarHBondContact O-N 3.08Å; L185-R188 CarbonylContact O-C 3.52Å; L185-R188 WeakPolarHBondContact O-CA 3.43Å; L185-R188 WeakPolarHBondContact O-CB 3.49Å; L185-R188 PolarHBondContact O-N 2.86Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.33Å; R188-A191 PolarHBondContact O-N 3.11Å; R188-Y192 VanDerWaalsContact O-CB 3.3Å; R188-Y192 WeakPolarHBondContact O-CB 3.38Å; R188-Y192 PolarHBondContact O-N 3.33Å
189	L	91.3	Very high	89.5	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-45.9	172.6	-69.7	173.9	0	0	0	110.1	P25 D134 L137 L185 R186 A191 Y192 H193	P25-L189 HydrophobicContact CB-CD2 3.68Å; D134-L189 HydrophobicContact CB-CD1 4.18Å; L137-L189 HydrophobicContact CD1-CD2 3.52Å; L185-L189 HydrophobicContact CD1-CD1 4.12Å; L185-L189 HydrophobicContact CD1-CD2 4.34Å; L185-L189 HydrophobicContact CD1-CG 3.93Å; L185-L189 HydrophobicContact CD2-CD1 4.45Å; L185-L189 HydrophobicContact CG-CD1 3.92Å; L185-L189 HydrophobicContact CG-CG 4.19Å; L185-L189 WeakPolarHBondContact O-CG 3.36Å; L185-L189 PolarHBondContact O-N 3Å; R186-L189 PolarHBondContact O-N 3.03Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 3.09Å; L189-Y192 WeakPolarHBondContact O-CB 3.46Å; L189-Y192 PolarHBondContact O-N 3.01Å; L189-Y192 VanDerWaalsContact O-N 3.14Å; L189-H193 PolarHBondContact O-CD2 3.14Å; L189-H193 PolarHBondContact O-N 2.78Å
190	D	91.3	Very high	90.1	Very high	86 Å²	86	54.3 Å²	54.3	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-39.5	175.2	-70.3	-11.4	0	0	0	112.1	R186 R194	R186-D190 PolarHBondContact O-N 3.17Å; D190-R194 WeakPolarHBondContact O-CB 3.39Å; D190-R194 VanDerWaalsContact O-CG 3.27Å; D190-R194 WeakPolarHBondContact O-CG 3.32Å; D190-R194 PolarHBondContact O-N 2.69Å; D190-R194 PolarHBondContact O-NE 3.44Å
191	A	89.5	Confident	90.6	Very high	16 Å²	16	60.7 Å²	60.7	13%	0.132	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-45.3	174.9	0	0	0	0	0	111.5	S187 R188 L189 R194 Q195	S187-A191 WeakPolarHBondContact O-CB 3.19Å; S187-A191 PolarHBondContact O-N 3.39Å; R188-A191 PolarHBondContact O-N 3.11Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 3.09Å; A191-R194 PolarHBondContact O-N 3.3Å; A191-Q195 VanDerWaalsContact O-CB 3.28Å; A191-Q195 WeakPolarHBondContact O-CB 3.39Å; A191-Q195 PolarHBondContact O-N 3.21Å
192	Y	91.9	Very high	91.1	Very high	20 Å²	20	59.3 Å²	59.3	8%	0.078	29%	0.292	C	S	.	.	I	π-helix	trans	-57.2	-52	177	176.7	-93.1	0	0	0	111.5	G24 P25 R188 L189 R194 Q195 T196 S197	G24-Y192 VanDerWaalsContact CA-OH 3.29Å; G24-Y192 WeakPolarHBondContact CA-OH 3.43Å; G24-Y192 VanDerWaalsContact O-CE2 3.3Å; G24-Y192 WeakPolarHBondContact O-CE2 3.4Å; P25-Y192 HydrophobicContact CB-CD1 3.97Å; P25-Y192 HydrophobicContact CB-CD2 4.42Å; P25-Y192 HydrophobicContact CB-CE1 4.12Å; P25-Y192 HydrophobicContact CB-CG 4.13Å; P25-Y192 HydrophobicContact CG-CE1 4.39Å; R188-Y192 VanDerWaalsContact O-CB 3.3Å; R188-Y192 WeakPolarHBondContact O-CB 3.38Å; R188-Y192 PolarHBondContact O-N 3.33Å; L189-Y192 WeakPolarHBondContact O-CB 3.46Å; L189-Y192 PolarHBondContact O-N 3.01Å; L189-Y192 VanDerWaalsContact O-N 3.14Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 2.92Å; Y192-Q195 PolarHBondContact O-N 2.82Å; Y192-T196 HydrophobicContact CD2-CG2 3.66Å; Y192-T196 HydrophobicContact CE2-CG2 3.43Å; Y192-T196 VanDerWaalsContact CE2-CG2 3.43Å; Y192-T196 CarbonylContact O-C 3.59Å; Y192-T196 WeakPolarHBondContact O-CA 3.32Å; Y192-T196 VanDerWaalsContact O-CB 3.29Å; Y192-T196 WeakPolarHBondContact O-CB 3.47Å; Y192-T196 PolarHBondContact O-N 2.89Å; Y192-S197 PolarHBondContact O-N 2.95Å
193	H	91.7	Very high	91.6	Very high	79 Å²	79	55 Å²	55	37%	0.366	27%	0.272	S	S	.	.	I	π-helix	trans	-64	-34.9	-177.7	-67.5	-49.9	0	0	0	112.8	D134 L189 S197	D134-H193 IonicContact OD1-CE1 3.42Å; D134-H193 IonicContact OD1-NE2 3.75Å; D134-H193 PolarHBondContact OD1-NE2 3.12Å; D134-H193 IonicContact OD2-CD2 3.78Å; D134-H193 IonicContact OD2-CE1 2.57Å; D134-H193 IonicContact OD2-NE2 2.89Å; D134-H193 PolarHBondContact OD2-NE2 2.98Å; L189-H193 PolarHBondContact O-CD2 3.14Å; L189-H193 PolarHBondContact O-N 2.78Å; H193-S197 WeakPolarHBondContact CA-OG 3.27Å; H193-S197 WeakPolarHBondContact O-CB 3.4Å
194	R	91.8	Very high	91.9	Very high	176 Å²	176	52.5 Å²	52.5	66%	0.664	26%	0.259	S	S	*	.	I	π-helix	trans	-78.5	-38.1	179.2	-74	-177.9	-70.1	-165.4	-0.8	113.7	D190 A191 Y192	D190-R194 WeakPolarHBondContact O-CB 3.39Å; D190-R194 VanDerWaalsContact O-CG 3.27Å; D190-R194 WeakPolarHBondContact O-CG 3.32Å; D190-R194 PolarHBondContact O-N 2.69Å; D190-R194 PolarHBondContact O-NE 3.44Å; A191-R194 PolarHBondContact O-N 3.3Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 2.92Å
195	Q	88.2	Confident	92.3	Very high	80 Å²	80	55.7 Å²	55.7	37%	0.374	29%	0.287	S	S	.	.	I	π-helix	trans	-109.8	-37.2	-166.6	-62.6	179.8	-16.9	0	0	112.9	R105 T106 A191 Y192	R105-Q195 CarbonylContact O-C 3.58Å; T106-Q195 HydrophobicContact CG2-CB 4.33Å; A191-Q195 VanDerWaalsContact O-CB 3.28Å; A191-Q195 WeakPolarHBondContact O-CB 3.39Å; A191-Q195 PolarHBondContact O-N 3.21Å; Y192-Q195 PolarHBondContact O-N 2.82Å
196	T	87.1	Confident	92.6	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	31%	0.306	C	S	.	.	I	π-helix	trans	-97.8	-35.6	-172.1	-49.8	0	0	0	0	112.1	L23 R105 Y192 P198 L199	L23-T196 HydrophobicContact CD2-CG2 4.38Å; R105-T196 VanDerWaalsContact O-CA 3.31Å; R105-T196 WeakPolarHBondContact O-CA 3.49Å; R105-T196 PolarHBondContact O-N 3.28Å; R105-T196 PolarHBondContact O-OG1 3.07Å; Y192-T196 HydrophobicContact CD2-CG2 3.66Å; Y192-T196 HydrophobicContact CE2-CG2 3.43Å; Y192-T196 VanDerWaalsContact CE2-CG2 3.43Å; Y192-T196 CarbonylContact O-C 3.59Å; Y192-T196 WeakPolarHBondContact O-CA 3.32Å; Y192-T196 VanDerWaalsContact O-CB 3.29Å; Y192-T196 WeakPolarHBondContact O-CB 3.47Å; Y192-T196 PolarHBondContact O-N 2.89Å; T196-P198 VanDerWaalsContact C-CD 3.41Å; T196-P198 VanDerWaalsContact C-N 3.31Å; T196-L199 HydrophobicContact CG2-CD1 4.04Å; T196-L199 WeakPolarHBondContact O-CB 3.35Å; T196-L199 WeakPolarHBondContact O-CG 3.5Å; T196-L199 PolarHBondContact O-N 3.04Å
197	S	89	Confident	92.9	Very high	40 Å²	40	57 Å²	57	28%	0.28	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.2	175.3	-60	0	0	0	0	114.5	Y192 H193 L199 V200	Y192-S197 PolarHBondContact O-N 2.95Å; H193-S197 WeakPolarHBondContact CA-OG 3.27Å; H193-S197 WeakPolarHBondContact O-CB 3.4Å; S197-L199 PolarHBondContact O-N 3.35Å; S197-L199 VanDerWaalsContact O-N 3.13Å; S197-V200 WeakPolarHBondContact O-CB 3.47Å; S197-V200 PolarHBondContact O-N 2.94Å
198	P	95.4	Very high	93.3	Very high	53 Å²	53	56.3 Å²	56.3	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-57.8	-22.4	170.7	-27.3	36.5	0	0	0	114.7	V107 T196 V200 Q201 Y202	V107-P198 HydrophobicContact CG2-CB 4.12Å; T196-P198 VanDerWaalsContact C-CD 3.41Å; T196-P198 VanDerWaalsContact C-N 3.31Å; P198-V200 PolarHBondContact O-N 3.39Å; P198-Q201 PolarHBondContact O-N 3.02Å; P198-Y202 PolarHBondContact O-N 3.46Å; P198-Y202 VanDerWaalsContact O-N 3.15Å
199	L	95.8	Very high	93.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-26.5	175.1	-67.1	176.2	0	0	0	112.9	L23 P104 V107 A110 T196 S197 Y202 Y203	L23-L199 HydrophobicContact CD1-CB 3.96Å; L23-L199 HydrophobicContact CD2-CD1 4.13Å; P104-L199 HydrophobicContact CB-CD1 4.21Å; P104-L199 HydrophobicContact CG-CD1 4.04Å; P104-L199 VanDerWaalsContact O-CD1 3.23Å; P104-L199 WeakPolarHBondContact O-CD1 3.35Å; V107-L199 HydrophobicContact CG2-CD2 4.18Å; A110-L199 HydrophobicContact CB-CD2 3.58Å; T196-L199 HydrophobicContact CG2-CD1 4.04Å; T196-L199 WeakPolarHBondContact O-CB 3.35Å; T196-L199 WeakPolarHBondContact O-CG 3.5Å; T196-L199 PolarHBondContact O-N 3.04Å; S197-L199 PolarHBondContact O-N 3.35Å; S197-L199 VanDerWaalsContact O-N 3.13Å; L199-Y202 PolarHBondContact O-N 2.57Å; L199-Y203 HydrophobicContact CB-CD2 4.17Å; L199-Y203 HydrophobicContact CB-CE2 4.26Å; L199-Y203 HydrophobicContact CD2-CE2 4.23Å; L199-Y203 VanDerWaalsContact O-CD2 3.25Å; L199-Y203 WeakPolarHBondContact O-CD2 3.28Å; L199-Y203 PolarHBondContact O-N 2.63Å
200	V	94.9	Very high	94	Very high	29 Å²	29	58.5 Å²	58.5	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-54.8	173.5	173.6	0	0	0	0	108.6	E129 S197 P198 Y202 Y203 S204	E129-V200 HydrophobicContact CG-CG2 4.42Å; S197-V200 WeakPolarHBondContact O-CB 3.47Å; S197-V200 PolarHBondContact O-N 2.94Å; P198-V200 PolarHBondContact O-N 3.39Å; V200-Y202 VanDerWaalsContact C-N 3.32Å; V200-Y202 PolarHBondContact O-N 3.37Å; V200-Y203 PolarHBondContact O-N 2.7Å; V200-S204 WeakPolarHBondContact O-CB 3.33Å; V200-S204 PolarHBondContact O-N 2.88Å; V200-S204 PolarHBondContact O-OG 3.06Å
201	Q	95.6	Very high	94.3	Very high	153 Å²	153	57 Å²	57	72%	0.715	32%	0.321	S	S	*	.	H	α-helix	trans	-60.2	-41.7	178	-172.1	176.9	10.5	0	0	112.3	P198 Y203 A205	P198-Q201 PolarHBondContact O-N 3.02Å; Q201-Y203 PolarHBondContact O-N 2.93Å; Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 2.89Å
202	Y	97.5	Very high	94.7	Very high	25 Å²	25	56.6 Å²	56.6	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-44.1	178.6	-178.5	-90.5	0	0	0	113	V107 A110 E111 D114 P198 L199 V200 R206	V107-Y202 HydrophobicContact CG1-CD2 3.68Å; V107-Y202 HydrophobicContact CG1-CE2 3.79Å; A110-Y202 HydrophobicContact CB-CD1 3.97Å; A110-Y202 HydrophobicContact CB-CE1 3.51Å; E111-Y202 WeakPolarHBondContact CA-OH 3.25Å; E111-Y202 HydrophobicContact CG-CE2 3.93Å; E111-Y202 WeakPolarHBondContact CG-OH 3.17Å; E111-Y202 PolarHBondContact N-OH 3.2Å; D114-Y202 PolarHBondContact OD2-OH 2.89Å; P198-Y202 PolarHBondContact O-N 3.46Å; P198-Y202 VanDerWaalsContact O-N 3.15Å; L199-Y202 PolarHBondContact O-N 2.57Å; V200-Y202 VanDerWaalsContact C-N 3.32Å; V200-Y202 PolarHBondContact O-N 3.37Å; Y202-R206 VanDerWaalsContact CD2-NH1 3.29Å; Y202-R206 VanDerWaalsContact CE1-NH1 3.3Å; Y202-R206 VanDerWaalsContact CE2-NH2 3.32Å; Y202-R206 VanDerWaalsContact CZ-NH1 3.26Å; Y202-R206 PolarHBondContact O-NH1 3.21Å; Y202-R206 PolarHBondContact OH-NH2 3.34Å
203	Y	97.7	Very high	94.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-86.1	-28	-179.2	-71.4	-59.6	0	0	0	113.5	I21 L23 P104 A110 L124 V127 L199 V200 Q201 A205 R206 G207 L208 H209	I21-Y203 HydrophobicContact CD1-CE1 4.23Å; I21-Y203 HydrophobicContact CD1-CE2 4.1Å; I21-Y203 WeakPolarHBondContact CD1-OH 3.47Å; L23-Y203 HydrophobicContact CD1-CD2 4.06Å; L23-Y203 HydrophobicContact CD1-CE2 4.38Å; P104-Y203 HydrophobicContact CG-CE2 4.16Å; P104-Y203 WeakPolarHBondContact CG-OH 2.96Å; A110-Y203 HydrophobicContact CB-CE2 4.36Å; A110-Y203 WeakPolarHBondContact CB-OH 3.36Å; L124-Y203 HydrophobicContact CD2-CE1 4.2Å; V127-Y203 HydrophobicContact CB-CD2 4.32Å; V127-Y203 HydrophobicContact CB-CG 4.16Å; V127-Y203 HydrophobicContact CG1-CD2 3.78Å; V127-Y203 HydrophobicContact CG1-CE2 4.33Å; V127-Y203 HydrophobicContact CG1-CG 4.11Å; V127-Y203 HydrophobicContact CG2-CD1 3.67Å; V127-Y203 HydrophobicContact CG2-CD2 3.92Å; V127-Y203 HydrophobicContact CG2-CE1 4.03Å; V127-Y203 HydrophobicContact CG2-CE2 4.23Å; V127-Y203 HydrophobicContact CG2-CG 3.62Å; L199-Y203 HydrophobicContact CB-CD2 4.17Å; L199-Y203 HydrophobicContact CB-CE2 4.26Å; L199-Y203 HydrophobicContact CD2-CE2 4.23Å; L199-Y203 VanDerWaalsContact O-CD2 3.25Å; L199-Y203 WeakPolarHBondContact O-CD2 3.28Å; L199-Y203 PolarHBondContact O-N 2.63Å; V200-Y203 PolarHBondContact O-N 2.7Å; Q201-Y203 PolarHBondContact O-N 2.93Å; Y203-A205 VanDerWaalsContact C-N 3.34Å; Y203-R206 PolarHBondContact O-N 3.41Å; Y203-G207 PolarHBondContact O-N 3.37Å; Y203-L208 HydrophobicContact CD1-CD1 4.36Å; Y203-L208 PolarHBondContact O-N 2.94Å; Y203-H209 PolarHBondContact O-N 3.11Å
204	S	95.9	Very high	95.1	Very high	54 Å²	54	55.7 Å²	55.7	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-41.7	169.6	-57.4	0	0	0	0	111.1	V200 R206 G207 H209	V200-S204 WeakPolarHBondContact O-CB 3.33Å; V200-S204 PolarHBondContact O-N 2.88Å; V200-S204 PolarHBondContact O-OG 3.06Å; S204-R206 PolarHBondContact O-N 3.22Å; S204-G207 PolarHBondContact O-N 3.17Å; S204-H209 PolarHBondContact OG-ND1 3.46Å; S204-H209 VanDerWaalsContact OG-ND1 3.13Å
205	A	96.6	Very high	95.1	Very high	88 Å²	88	49.7 Å²	49.7	73%	0.727	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	176.3	0	0	0	0	0	113.4	Q201 Y203	Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 2.89Å; Y203-A205 VanDerWaalsContact C-N 3.34Å
206	R	95.2	Very high	95.4	Very high	108 Å²	108	50.1 Å²	50.1	41%	0.408	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.1	175.4	-69.4	171.5	171.2	62.8	5.7	113.5	D114 Y202 Y203 S204 L208	D114-R206 IonicContact OD2-CZ 2.79Å; D114-R206 IonicContact OD2-NE 3.6Å; D114-R206 PolarHBondContact OD2-NE 3.28Å; D114-R206 VanDerWaalsContact OD2-NE 3.13Å; D114-R206 IonicContact OD2-NH2 3.88Å; D114-R206 PolarHBondContact OD2-NH2 3.29Å; Y202-R206 VanDerWaalsContact CD2-NH1 3.29Å; Y202-R206 VanDerWaalsContact CE1-NH1 3.3Å; Y202-R206 VanDerWaalsContact CE2-NH2 3.32Å; Y202-R206 VanDerWaalsContact CZ-NH1 3.26Å; Y202-R206 PolarHBondContact O-NH1 3.21Å; Y202-R206 PolarHBondContact OH-NH2 3.34Å; Y203-R206 PolarHBondContact O-N 3.41Å; S204-R206 PolarHBondContact O-N 3.22Å; R206-L208 VanDerWaalsContact C-N 3.26Å; R206-L208 HydrophobicContact CB-CD1 4.04Å; R206-L208 HydrophobicContact CB-CG 4.14Å; R206-L208 PolarHBondContact O-N 2.86Å
207	G	96.3	Very high	95.5	Very high	70 Å²	70	52.5 Å²	52.5	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	17.8	-176.5	0	0	0	0	0	114.6	Y203 S204	Y203-G207 PolarHBondContact O-N 3.37Å; S204-G207 PolarHBondContact O-N 3.17Å
208	L	96.9	Very high	95.6	Very high	41 Å²	41	53.4 Å²	53.4	22%	0.215	33%	0.325	C	S	.	.			trans	-100.1	-17.8	-176.5	-65	172	0	0	0	113.4	L124 V127 Y203 R206	L124-L208 HydrophobicContact CB-CD1 4.35Å; L124-L208 HydrophobicContact CD2-CD1 4.3Å; L124-L208 WeakPolarHBondContact O-CD2 3.44Å; V127-L208 HydrophobicContact CG2-CB 4.17Å; V127-L208 PolarHBondContact N-O 3.22Å; Y203-L208 HydrophobicContact CD1-CD1 4.36Å; Y203-L208 PolarHBondContact O-N 2.94Å; R206-L208 VanDerWaalsContact C-N 3.26Å; R206-L208 HydrophobicContact CB-CD1 4.04Å; R206-L208 HydrophobicContact CB-CG 4.14Å; R206-L208 PolarHBondContact O-N 2.86Å
209	H	97.9	Very high	95.5	Very high	43 Å²	43	54.6 Å²	54.6	20%	0.199	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	137.3	-173.2	165.9	-97.4	0	0	0	113	V127 E129 Y203 S204	V127-H209 CarbonylContact O-C 2.97Å; V127-H209 WeakPolarHBondContact O-CA 3.49Å; E129-H209 WeakPolarHBondContact CB-NE2 3.48Å; E129-H209 IonicContact OE2-CD2 3.56Å; E129-H209 IonicContact OE2-CE1 3.49Å; E129-H209 PolarHBondContact OE2-CE1 3.39Å; E129-H209 IonicContact OE2-NE2 2.75Å; E129-H209 PolarHBondContact OE2-NE2 2.85Å; Y203-H209 PolarHBondContact O-N 3.11Å; S204-H209 PolarHBondContact OG-ND1 3.46Å; S204-H209 VanDerWaalsContact OG-ND1 3.13Å
210	T	98	Very high	95.5	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.344	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	126.9	166.9	-57.3	0	0	0	0	109.4	V127 I128 E129 A228	V127-T210 PolarHBondContact O-N 3.21Å; I128-T210 WeakPolarHBondContact CA-O 3.4Å; E129-T210 PolarHBondContact N-O 2.92Å; T210-A228 HydrophobicContact CG2-CB 3.88Å
211	A	97.4	Very high	95.5	Very high	55 Å²	55	56.7 Å²	56.7	46%	0.455	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.8	172.7	0	0	0	0	0	111.4	E129	E129-A211 HydrophobicContact CB-CB 4.32Å; E129-A211 CarbonylContact O-C 3.49Å; E129-A211 WeakPolarHBondContact O-CA 3.49Å
212	V	97.7	Very high	95.6	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.048	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141	172	-60.3	0	0	0	0	109.9	I128 E129 F130 S131 A214 V221 I225	I128-V212 HydrophobicContact CG2-CG1 4.22Å; I128-V212 HydrophobicContact CG2-CG2 3.85Å; E129-V212 WeakPolarHBondContact O-CG2 3.45Å; E129-V212 PolarHBondContact O-N 3.44Å; F130-V212 HydrophobicContact CG-CG2 4.48Å; S131-V212 PolarHBondContact N-O 2.65Å; V212-A214 PolarHBondContact O-N 3.07Å; V212-V221 HydrophobicContact CG2-CG1 4.43Å; V212-I225 HydrophobicContact CG1-CG1 4.1Å; V212-I225 HydrophobicContact CG2-CD1 4.5Å; V212-I225 HydrophobicContact CG2-CG1 4.12Å
213	D	96.7	Very high	95.6	Very high	77 Å²	77	52.8 Å²	52.8	41%	0.412	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	100.4	174.8	176.9	7.1	0	0	0	110	S215 Q216 V221	D213-S215 VanDerWaalsContact C-N 3.25Å; D213-S215 VanDerWaalsContact CG-OG 3.3Å; D213-S215 PolarHBondContact O-N 3.44Å; D213-S215 WeakPolarHBondContact OD1-CB 3.38Å; D213-S215 PolarHBondContact OD1-N 2.88Å; D213-S215 PolarHBondContact OD1-OG 3.21Å; D213-S215 PolarHBondContact OD2-OG 3.39Å; D213-Q216 HydrophobicContact CB-CG 4.19Å; D213-Q216 WeakPolarHBondContact OD2-CG 3.47Å; D213-Q216 PolarHBondContact OD2-NE2 3.02Å; D213-V221 WeakPolarHBondContact O-CG2 3.29Å
214	A	95.6	Very high	95.6	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.017	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.1	-179	0	0	0	0	0	113.4	A28 F130 S131 V132 R140 V212 Q216	A28-A214 WeakPolarHBondContact O-CB 3.38Å; F130-A214 HydrophobicContact CB-CB 3.78Å; F130-A214 HydrophobicContact CD1-CB 3.92Å; F130-A214 HydrophobicContact CG-CB 4.3Å; S131-A214 WeakPolarHBondContact O-CB 3.28Å; S131-A214 PolarHBondContact O-N 3.19Å; V132-A214 HydrophobicContact CB-CB 4.17Å; V132-A214 HydrophobicContact CG1-CB 4.46Å; R140-A214 PolarHBondContact NH1-O 3.48Å; R140-A214 PolarHBondContact NH2-O 3.29Å; V212-A214 PolarHBondContact O-N 3.07Å; A214-Q216 VanDerWaalsContact C-N 3.33Å
215	S	92.1	Very high	95.7	Very high	50 Å²	50	52.6 Å²	52.6	35%	0.35	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.5	169.1	78.5	0	0	0	0	112.4	R140 D213	R140-S215 PolarHBondContact NH2-O 3.31Å; D213-S215 VanDerWaalsContact C-N 3.25Å; D213-S215 VanDerWaalsContact CG-OG 3.3Å; D213-S215 PolarHBondContact O-N 3.44Å; D213-S215 WeakPolarHBondContact OD1-CB 3.38Å; D213-S215 PolarHBondContact OD1-N 2.88Å; D213-S215 PolarHBondContact OD1-OG 3.21Å; D213-S215 PolarHBondContact OD2-OG 3.39Å
216	Q	93.2	Very high	95.7	Very high	90 Å²	90	49.7 Å²	49.7	42%	0.421	31%	0.312	S	S	.	.	S	Bend	trans	-68.5	172	-177.9	-59	-61.4	-40.8	0	0	113.6	D213 A214 V220 V221	D213-Q216 HydrophobicContact CB-CG 4.19Å; D213-Q216 WeakPolarHBondContact OD2-CG 3.47Å; D213-Q216 PolarHBondContact OD2-NE2 3.02Å; A214-Q216 VanDerWaalsContact C-N 3.33Å; Q216-V220 HydrophobicContact CB-CB 4Å; Q216-V220 HydrophobicContact CB-CG1 3.79Å; Q216-V220 HydrophobicContact CG-CG1 4.03Å; Q216-V221 HydrophobicContact CB-CG2 3.99Å
217	S	90.8	Very high	95.8	Very high	60 Å²	60	47.5 Å²	47.5	42%	0.42	32%	0.316	S	S	.	.			trans	-62.8	152.1	176.1	76.6	0	0	0	0	112.1	S219 V220 V221	S217-S219 PolarHBondContact O-N 2.99Å; S217-V220 PolarHBondContact O-N 3.3Å; S217-V220 WeakPolarHBondContact OG-CG2 3.31Å; S217-V221 WeakPolarHBondContact O-CG2 3.47Å; S217-V221 PolarHBondContact O-N 3.12Å
218	P	90.4	Very high	95.8	Very high	59 Å²	59	44.7 Å²	44.7	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-29.5	-178.7	-28.3	35.5	0	0	0	114.9	T32 Q33 R36 F222	T32-P218 HydrophobicContact CG2-CB 4.36Å; Q33-P218 PolarHBondContact NE2-O 3.47Å; R36-P218 PolarHBondContact NH1-O 3.36Å; R36-P218 VanDerWaalsContact NH1-O 3.11Å; P218-F222 VanDerWaalsContact O-CB 3.29Å; P218-F222 WeakPolarHBondContact O-CB 3.48Å; P218-F222 PolarHBondContact O-N 2.96Å; P218-F222 VanDerWaalsContact O-N 3.15Å
219	S	93	Very high	95.7	Very high	79 Å²	79	42.8 Å²	42.8	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-75.5	-38.7	177.6	-60.8	0	0	0	0	112.5	S217 F222 A223	S217-S219 PolarHBondContact O-N 2.99Å; S219-F222 PolarHBondContact O-N 3.45Å; S219-A223 PolarHBondContact O-N 3.06Å
220	V	95.5	Very high	95.4	Very high	66 Å²	66	42.9 Å²	42.9	40%	0.4	28%	0.282	S	S	.	.	H	α-helix	trans	-67.1	-48.3	176.8	172.5	0	0	0	0	110	Q216 S217 F222 A223 S224	Q216-V220 HydrophobicContact CB-CB 4Å; Q216-V220 HydrophobicContact CB-CG1 3.79Å; Q216-V220 HydrophobicContact CG-CG1 4.03Å; S217-V220 PolarHBondContact O-N 3.3Å; S217-V220 WeakPolarHBondContact OG-CG2 3.31Å; V220-F222 VanDerWaalsContact C-N 3.29Å; V220-F222 PolarHBondContact O-N 3.47Å; V220-A223 PolarHBondContact O-N 2.88Å; V220-A223 VanDerWaalsContact O-N 3.16Å; V220-S224 PolarHBondContact O-N 3.48Å; V220-S224 PolarHBondContact O-OG 3.28Å
221	V	96.5	Very high	95.1	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-44.5	176.3	177.5	0	0	0	0	110.9	Q33 F130 V212 D213 Q216 S217 A223 S224 I225	Q33-V221 HydrophobicContact CG-CG1 4.06Å; F130-V221 HydrophobicContact CD1-CG1 4.44Å; F130-V221 HydrophobicContact CE1-CG1 4.06Å; V212-V221 HydrophobicContact CG2-CG1 4.43Å; D213-V221 WeakPolarHBondContact O-CG2 3.29Å; Q216-V221 HydrophobicContact CB-CG2 3.99Å; S217-V221 WeakPolarHBondContact O-CG2 3.47Å; S217-V221 PolarHBondContact O-N 3.12Å; V221-A223 PolarHBondContact O-N 3.42Å; V221-S224 PolarHBondContact O-N 3.25Å; V221-I225 HydrophobicContact CG1-CD1 3.91Å; V221-I225 HydrophobicContact CG1-CG1 4.49Å; V221-I225 VanDerWaalsContact O-CG1 3.29Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 3.19Å
222	F	96.8	Very high	94.8	Very high	38 Å²	38	43.5 Å²	43.5	17%	0.167	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-47	177.5	-175.5	-96.7	0	0	0	112.3	R36 L37 K40 P218 S219 V220 S224 I225 V226	R36-F222 HydrophobicContact CB-CD2 4.01Å; R36-F222 HydrophobicContact CB-CE2 3.56Å; R36-F222 HydrophobicContact CB-CZ 4.44Å; L37-F222 HydrophobicContact CD2-CD2 3.98Å; L37-F222 HydrophobicContact CD2-CE2 3.62Å; L37-F222 HydrophobicContact CD2-CZ 4.29Å; L37-F222 HydrophobicContact CG-CD2 4.18Å; L37-F222 HydrophobicContact CG-CE2 3.87Å; K40-F222 HydrophobicContact CB-CZ 4.31Å; K40-F222 HydrophobicContact CD-CE1 4.06Å; K40-F222 HydrophobicContact CD-CZ 3.69Å; P218-F222 VanDerWaalsContact O-CB 3.29Å; P218-F222 WeakPolarHBondContact O-CB 3.48Å; P218-F222 PolarHBondContact O-N 2.96Å; P218-F222 VanDerWaalsContact O-N 3.15Å; S219-F222 PolarHBondContact O-N 3.45Å; V220-F222 VanDerWaalsContact C-N 3.29Å; V220-F222 PolarHBondContact O-N 3.47Å; F222-S224 VanDerWaalsContact C-N 3.34Å; F222-S224 PolarHBondContact O-N 2.92Å; F222-I225 PolarHBondContact O-N 2.6Å; F222-V226 HydrophobicContact CD1-CG2 4.08Å; F222-V226 HydrophobicContact CE1-CG2 3.74Å; F222-V226 HydrophobicContact CZ-CG2 4.03Å; F222-V226 WeakPolarHBondContact O-CG2 3.48Å; F222-V226 PolarHBondContact O-N 3.2Å
223	A	97.4	Very high	94.3	Very high	58 Å²	58	45.1 Å²	45.1	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178.6	0	0	0	0	0	112.1	S219 V220 V221 I225 V226 A227	S219-A223 PolarHBondContact O-N 3.06Å; V220-A223 PolarHBondContact O-N 2.88Å; V220-A223 VanDerWaalsContact O-N 3.16Å; V221-A223 PolarHBondContact O-N 3.42Å; A223-I225 PolarHBondContact O-N 3.34Å; A223-V226 PolarHBondContact O-N 3Å; A223-A227 WeakPolarHBondContact O-CB 3.4Å; A223-A227 PolarHBondContact O-N 3.45Å
224	S	97.9	Very high	93.5	Very high	51 Å²	51	44.4 Å²	44.4	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-41.7	175.1	-60.9	0	0	0	0	112.5	V220 V221 F222 A227 A228	V220-S224 PolarHBondContact O-N 3.48Å; V220-S224 PolarHBondContact O-OG 3.28Å; V221-S224 PolarHBondContact O-N 3.25Å; F222-S224 VanDerWaalsContact C-N 3.34Å; F222-S224 PolarHBondContact O-N 2.92Å; S224-A227 PolarHBondContact O-N 3.2Å; S224-A228 PolarHBondContact O-N 3.26Å
225	I	98	Very high	91.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-43.1	177.6	-62.8	169.4	0	0	0	110.9	Q33 L37 I128 F130 V212 V221 F222 A223 A227 A228 F229	Q33-I225 HydrophobicContact CB-CD1 4.17Å; Q33-I225 HydrophobicContact CG-CD1 4.09Å; L37-I225 HydrophobicContact CD1-CB 4.44Å; L37-I225 HydrophobicContact CD1-CD1 4.1Å; L37-I225 HydrophobicContact CD1-CG2 3.67Å; L37-I225 HydrophobicContact CD2-CB 4.34Å; L37-I225 HydrophobicContact CD2-CG2 3.78Å; L37-I225 HydrophobicContact CG-CG2 4.39Å; I128-I225 HydrophobicContact CD1-CG2 4.42Å; I128-I225 HydrophobicContact CG1-CG2 4.1Å; I128-I225 HydrophobicContact CG2-CD1 4.26Å; I128-I225 HydrophobicContact CG2-CG1 3.92Å; F130-I225 HydrophobicContact CE1-CD1 4.03Å; F130-I225 HydrophobicContact CE2-CD1 4.1Å; F130-I225 HydrophobicContact CZ-CD1 3.48Å; F130-I225 VanDerWaalsContact CZ-CD1 3.48Å; V212-I225 HydrophobicContact CG1-CG1 4.1Å; V212-I225 HydrophobicContact CG2-CD1 4.5Å; V212-I225 HydrophobicContact CG2-CG1 4.12Å; V221-I225 HydrophobicContact CG1-CD1 3.91Å; V221-I225 HydrophobicContact CG1-CG1 4.49Å; V221-I225 VanDerWaalsContact O-CG1 3.29Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 3.19Å; F222-I225 PolarHBondContact O-N 2.6Å; A223-I225 PolarHBondContact O-N 3.34Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 2.89Å; I225-A228 WeakPolarHBondContact O-CB 3.47Å; I225-A228 PolarHBondContact O-N 2.95Å; I225-F229 HydrophobicContact CG2-CD1 4.41Å; I225-F229 HydrophobicContact CG2-CD2 4.11Å; I225-F229 HydrophobicContact CG2-CE1 4.13Å; I225-F229 HydrophobicContact CG2-CE2 3.8Å; I225-F229 HydrophobicContact CG2-CG 4.41Å; I225-F229 HydrophobicContact CG2-CZ 3.81Å; I225-F229 PolarHBondContact O-N 3.27Å
226	V	96.8	Very high	89.4	Confident	27 Å²	27	51.7 Å²	51.7	16%	0.164	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-44.2	176.1	168.1	0	0	0	0	110.8	L37 K40 Y41 F222 A223 A228 F229 S230	L37-V226 HydrophobicContact CD2-CG2 4.2Å; K40-V226 HydrophobicContact CD-CG2 3.77Å; Y41-V226 HydrophobicContact CE2-CG2 4.41Å; F222-V226 HydrophobicContact CD1-CG2 4.08Å; F222-V226 HydrophobicContact CE1-CG2 3.74Å; F222-V226 HydrophobicContact CZ-CG2 4.03Å; F222-V226 WeakPolarHBondContact O-CG2 3.48Å; F222-V226 PolarHBondContact O-N 3.2Å; A223-V226 PolarHBondContact O-N 3Å; V226-A228 VanDerWaalsContact C-N 3.33Å; V226-A228 PolarHBondContact O-N 3.15Å; V226-F229 PolarHBondContact O-N 3.22Å; V226-S230 PolarHBondContact O-N 3.26Å; V226-S230 PolarHBondContact O-OG 2.72Å
227	A	95.9	Very high	87	Confident	61 Å²	61	52 Å²	52	50%	0.504	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-41.2	176.3	0	0	0	0	0	112.1	A223 S224 I225 S230 A231	A223-A227 WeakPolarHBondContact O-CB 3.4Å; A223-A227 PolarHBondContact O-N 3.45Å; S224-A227 PolarHBondContact O-N 3.2Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 2.89Å; A227-S230 PolarHBondContact O-N 3.37Å; A227-A231 WeakPolarHBondContact O-CB 3.37Å; A227-A231 PolarHBondContact O-N 3.5Å
228	A	96.1	Very high	84.4	Confident	12 Å²	12	60.4 Å²	60.4	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-63.7	-44.9	175.9	0	0	0	0	0	112.2	I128 T210 S224 I225 V226 A231 A232	I128-A228 HydrophobicContact CD1-CB 3.64Å; T210-A228 HydrophobicContact CG2-CB 3.88Å; S224-A228 PolarHBondContact O-N 3.26Å; I225-A228 WeakPolarHBondContact O-CB 3.47Å; I225-A228 PolarHBondContact O-N 2.95Å; V226-A228 VanDerWaalsContact C-N 3.33Å; V226-A228 PolarHBondContact O-N 3.15Å; A228-A231 PolarHBondContact O-N 3.21Å; A228-A232 WeakPolarHBondContact O-CB 3.38Å; A228-A232 PolarHBondContact O-N 2.96Å
229	F	95.6	Very high	81.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-62.6	-43.6	176	-73.6	-9.2	0	0	0	112.1	I18 A20 L22 L37 Y41 L99 I128 I225 V226 A231 A232 T233	I18-F229 HydrophobicContact CD1-CB 4.19Å; I18-F229 HydrophobicContact CD1-CD1 4.27Å; I18-F229 HydrophobicContact CD1-CD2 4.49Å; I18-F229 HydrophobicContact CD1-CG 4.1Å; I18-F229 HydrophobicContact CG1-CD1 4.27Å; I18-F229 HydrophobicContact CG1-CD2 4.07Å; I18-F229 HydrophobicContact CG1-CE1 4.36Å; I18-F229 HydrophobicContact CG1-CE2 4.19Å; I18-F229 HydrophobicContact CG1-CG 4.11Å; I18-F229 HydrophobicContact CG1-CZ 4.34Å; I18-F229 HydrophobicContact CG2-CE2 4.34Å; A20-F229 HydrophobicContact CB-CE1 3.52Å; A20-F229 HydrophobicContact CB-CZ 3.55Å; L22-F229 HydrophobicContact CD2-CZ 4.42Å; L37-F229 HydrophobicContact CD1-CE2 4.34Å; L37-F229 HydrophobicContact CD2-CD2 4.43Å; L37-F229 HydrophobicContact CD2-CE2 4.09Å; Y41-F229 HydrophobicContact CD2-CD2 4.18Å; Y41-F229 HydrophobicContact CE1-CB 4.41Å; Y41-F229 HydrophobicContact CE1-CD2 4.43Å; Y41-F229 AromaticContact CE2-CD2 3.59Å; Y41-F229 HydrophobicContact CE2-CD2 3.59Å; Y41-F229 HydrophobicContact CE2-CE2 4.26Å; Y41-F229 AromaticContact CZ-CD2 3.73Å; L99-F229 HydrophobicContact CD2-CE2 4.11Å; L99-F229 HydrophobicContact CD2-CZ 3.94Å; I128-F229 HydrophobicContact CD1-CD1 4.13Å; I128-F229 HydrophobicContact CD1-CE1 3.88Å; I128-F229 HydrophobicContact CG1-CD1 4.17Å; I128-F229 HydrophobicContact CG1-CE1 3.41Å; I128-F229 VanDerWaalsContact CG1-CE1 3.41Å; I128-F229 HydrophobicContact CG1-CZ 4.04Å; I225-F229 HydrophobicContact CG2-CD1 4.41Å; I225-F229 HydrophobicContact CG2-CD2 4.11Å; I225-F229 HydrophobicContact CG2-CE1 4.13Å; I225-F229 HydrophobicContact CG2-CE2 3.8Å; I225-F229 HydrophobicContact CG2-CG 4.41Å; I225-F229 HydrophobicContact CG2-CZ 3.81Å; I225-F229 PolarHBondContact O-N 3.27Å; V226-F229 PolarHBondContact O-N 3.22Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 3.19Å; F229-A232 PolarHBondContact O-N 3.46Å; F229-T233 PolarHBondContact O-N 2.94Å; F229-T233 PolarHBondContact O-OG1 3.21Å
230	S	92.9	Very high	79.3	Confident	46 Å²	46	64.4 Å²	64.4	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-37.4	176.9	-65.4	0	0	0	0	112.4	Q15 V226 A227 A234	Q15-S230 PolarHBondContact OE1-OG 3.03Å; V226-S230 PolarHBondContact O-N 3.26Å; V226-S230 PolarHBondContact O-OG 2.72Å; A227-S230 PolarHBondContact O-N 3.37Å; S230-A234 WeakPolarHBondContact O-CB 3.44Å; S230-A234 PolarHBondContact O-N 3.49Å
231	A	91.6	Very high	76.7	Confident	74 Å²	74	66.2 Å²	66.2	61%	0.612	45%	0.453	S	S	*	.	H	α-helix	trans	-66.8	-40.3	174.3	0	0	0	0	0	112.5	A227 A228 F229 T233	A227-A231 WeakPolarHBondContact O-CB 3.37Å; A227-A231 PolarHBondContact O-N 3.5Å; A228-A231 PolarHBondContact O-N 3.21Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 3.19Å; A231-T233 VanDerWaalsContact C-N 3.34Å; A231-T233 PolarHBondContact O-N 3.47Å
232	A	89.8	Confident	74.2	Confident	49 Å²	49	71.1 Å²	71.1	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-69.5	-30.8	-179.4	0	0	0	0	0	113.4	D125 A228 F229	D125-A232 WeakPolarHBondContact O-CB 3.46Å; A228-A232 WeakPolarHBondContact O-CB 3.38Å; A228-A232 PolarHBondContact O-N 2.96Å; F229-A232 PolarHBondContact O-N 3.46Å
233	T	87.5	Confident	71.5	Confident	42 Å²	42	76.6 Å²	76.6	26%	0.258	55%	0.554	S	S	.	*	H	α-helix	trans	-100.6	-3.7	-177.5	52.2	0	0	0	0	113.3	Q15 I18 D125 F229 A231 A235	Q15-T233 PolarHBondContact NE2-OG1 3.33Å; Q15-T233 PolarHBondContact OE1-OG1 3.31Å; I18-T233 HydrophobicContact CD1-CG2 3.52Å; D125-T233 HydrophobicContact CB-CG2 4.12Å; F229-T233 PolarHBondContact O-N 2.94Å; F229-T233 PolarHBondContact O-OG1 3.21Å; A231-T233 VanDerWaalsContact C-N 3.34Å; A231-T233 PolarHBondContact O-N 3.47Å; T233-A235 PolarHBondContact O-N 3.22Å; T233-A235 VanDerWaalsContact O-N 3.16Å
234	A	80.9	Confident	70.2	Confident	62 Å²	62	77.5 Å²	77.5	51%	0.512	56%	0.558	S	S	.	*	S	Bend	trans	-66.2	112.9	170	0	0	0	0	0	108.9	S230	S230-A234 WeakPolarHBondContact O-CB 3.44Å; S230-A234 PolarHBondContact O-N 3.49Å
235	A	55.3	Low	68.7	Low	85 Å²	85	78.9 Å²	78.9	70%	0.702	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-52.2	141.3	175.6	0	0	0	0	0	110.3	T233 A237	T233-A235 PolarHBondContact O-N 3.22Å; T233-A235 VanDerWaalsContact O-N 3.16Å; A235-A237 PolarHBondContact O-N 3.05Å; A235-A237 VanDerWaalsContact O-N 3.07Å
236	P	46.3	Very low	67.1	Low	120 Å²	120	83.3 Å²	83.3	78%	0.779	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-56.7	124.1	172.4	23.7	-31	0	0	0	107.4	R238	P236-R238 PolarHBondContact O-N 3.33Å
237	A	41.4	Very low	65.4	Low	96 Å²	96	86.6 Å²	86.6	79%	0.793	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-46.5	116.8	178.2	0	0	0	0	0	107.9	A235 A239	A235-A237 PolarHBondContact O-N 3.05Å; A235-A237 VanDerWaalsContact O-N 3.07Å; A237-A239 PolarHBondContact O-N 3.05Å
238	R	36.7	Very low	63.4	Low	237 Å²	237	88.2 Å²	88.2	89%	0.894	63%	0.634	S	S	*	*			trans	-48.3	110.7	174.5	-85.1	178.9	172.2	174.5	-2	106.5	P236 T240	P236-R238 PolarHBondContact O-N 3.33Å; R238-T240 VanDerWaalsContact C-N 3.31Å; R238-T240 PolarHBondContact O-N 3.18Å
239	A	37.7	Very low	61.3	Low	96 Å²	96	93.3 Å²	93.3	79%	0.793	67%	0.669	S	S	*	*			trans	-56.2	105.7	165.8	0	0	0	0	0	105.4	A237 A241	A237-A239 PolarHBondContact O-N 3.05Å; A239-A241 VanDerWaalsContact C-N 3.29Å; A239-A241 PolarHBondContact O-N 2.7Å
240	T	37.8	Very low	58.8	Low	127 Å²	127	99.9 Å²	99.9	78%	0.779	72%	0.717	S	S	*	*			trans	-60.9	101.4	169.6	44.4	0	0	0	0	105.7	R238 S242	R238-T240 VanDerWaalsContact C-N 3.31Å; R238-T240 PolarHBondContact O-N 3.18Å; T240-S242 PolarHBondContact O-N 3.1Å
241	A	41.1	Very low	56.2	Low	103 Å²	103	104.1 Å²	104.1	85%	0.851	75%	0.747	S	S	*	*			trans	-61.9	92.4	162.1	0	0	0	0	0	106.7	A239	A239-A241 VanDerWaalsContact C-N 3.29Å; A239-A241 PolarHBondContact O-N 2.7Å
242	S	43.6	Very low	53.2	Low	110 Å²	110	106.6 Å²	106.6	77%	0.769	76%	0.759	S	S	*	*			trans	-75	121.4	158.1	51	0	0	0	0	106.7	T240	T240-S242 PolarHBondContact O-N 3.1Å
243	G	40.8	Very low	49.9	Very low	152 Å²	152	111.8 Å²	111.8	100%	1.567	79%	0.791	S	S	*	*			trans	-69.9	0	-175.2	0	0	0	0	0	115.6

Retrieved 243 of 243 residues in 48.4 ms (Link to these results)

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