A0A087YIK9_POEFO Loading...

rRNA adenine N(6)-methyltransferase

Specifically dimethylates two adjacent adenosines in the loop of a conserved hairpin near the 3'-end of 18S rRNA in the 40S particle. Involved in the pre-rRNA processing steps leading to small-subunit rRNA production independently of its RNA-modifying catalytic activity. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A087YIK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 aa.

Structure Viewer

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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	42.6	Very low	42	Very low	239 Å²	239	178.3 Å²	178.3	100%	1.177	89%	0.889	S	S	*	*				0	110.7	0	-74.8	176.4	160	0	0	109
2	P	37.6	Very low	41.7	Very low	129 Å²	129	178.2 Å²	178.2	84%	0.838	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-76.6	136.6	179.2	-2.1	18.5	0	0	0	111.1	V4	P2-V4 PolarHBondContact O-N 2.88Å
3	K	40.3	Very low	41.3	Very low	209 Å²	209	177.8 Å²	177.8	91%	0.909	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-67.5	123.7	178	-74.4	176.8	174.6	176.6	0	111	K5	K3-K5 PolarHBondContact O-N 3.26Å
4	V	46.6	Very low	40.8	Very low	143 Å²	143	177.9 Å²	177.9	87%	0.867	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-68.1	122	171.8	-179.5	0	0	0	0	109.1	P2	P2-V4 PolarHBondContact O-N 2.88Å
5	K	44.2	Very low	40.4	Very low	202 Å²	202	175.9 Å²	175.9	88%	0.878	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-78.8	127.2	170.9	-83.1	-178.7	175.2	175.9	0	109.1	K3	K3-K5 PolarHBondContact O-N 3.26Å
6	A	46.1	Very low	40.2	Very low	98 Å²	98	173.8 Å²	173.8	81%	0.81	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-67.8	129.1	174.8	0	0	0	0	0	111	K8	A6-K8 PolarHBondContact O-N 3.46Å
7	E	42.8	Very low	40	Very low	188 Å²	188	174.6 Å²	174.6	88%	0.879	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-66.9	123.5	174.7	-74.4	-176.5	153.9	0	0	111	K9	E7-K9 PolarHBondContact O-N 2.91Å
8	K	42.8	Very low	40	Very low	206 Å²	206	170.8 Å²	170.8	90%	0.896	86%	0.858	S	S	*	*			trans	-71.8	107.4	169.2	-83.2	-179.5	173.5	179.2	0	108.8	A6 S10	A6-K8 PolarHBondContact O-N 3.46Å; K8-S10 PolarHBondContact O-N 3.25Å
9	K	40.4	Very low	40.4	Very low	205 Å²	205	172.2 Å²	172.2	89%	0.891	86%	0.862	S	S	*	*			trans	-64.7	103	166.7	-73	-175.8	178	-179.9	0	109.4	E7 R11	E7-K9 PolarHBondContact O-N 2.91Å; K9-R11 PolarHBondContact O-N 3.33Å
10	S	39.4	Very low	41.5	Very low	106 Å²	106	166.4 Å²	166.4	74%	0.741	85%	0.847	S	S	*	*			trans	-65.9	116.5	166.7	56.1	0	0	0	0	108.6	K8 Q12	K8-S10 PolarHBondContact O-N 3.25Å; S10-Q12 PolarHBondContact O-N 3.37Å
11	R	39	Very low	43.2	Very low	236 Å²	236	160.7 Å²	160.7	89%	0.891	82%	0.818	S	S	*	*			trans	-60	108	167.3	-79.3	177.2	170.9	172.4	-3.4	107.7	K9 H13	K9-R11 PolarHBondContact O-N 3.33Å; R11-H13 PolarHBondContact O-N 2.94Å; R11-H13 VanDerWaalsContact O-N 3.08Å
12	Q	38.8	Very low	44.9	Very low	177 Å²	177	156.9 Å²	156.9	83%	0.827	80%	0.8	S	S	*	*			trans	-63.7	108.3	164.5	-80.4	179.2	-5.7	0	0	106.9	S10 Q14	S10-Q12 PolarHBondContact O-N 3.37Å; Q12-Q14 PolarHBondContact O-N 3.5Å
13	H	35.8	Very low	47.1	Very low	174 Å²	174	153.1 Å²	153.1	81%	0.806	77%	0.77	S	S	*	*			trans	-60	106.9	160.9	-94.2	-86.8	0	0	0	106.7	R11 D15	R11-H13 PolarHBondContact O-N 2.94Å; R11-H13 VanDerWaalsContact O-N 3.08Å; H13-D15 VanDerWaalsContact C-N 3.3Å; H13-D15 PolarHBondContact O-N 2.7Å
14	Q	34.3	Very low	49	Very low	179 Å²	179	146.8 Å²	146.8	84%	0.836	75%	0.746	S	S	*	*			trans	-65.9	99.5	162.3	-78.4	-175.6	-14.3	0	0	106.3	Q12 V16	Q12-Q14 PolarHBondContact O-N 3.5Å; Q14-V16 PolarHBondContact O-N 2.94Å
15	D	35.6	Very low	50.4	Low	148 Å²	148	144 Å²	144	79%	0.791	73%	0.729	S	S	*	*			trans	-53.7	114.5	165.2	-83.9	-32.2	0	0	0	107.7	H13 K17	H13-D15 VanDerWaalsContact C-N 3.3Å; H13-D15 PolarHBondContact O-N 2.7Å; D15-K17 PolarHBondContact O-N 3.3Å
16	V	37.5	Very low	51.7	Low	141 Å²	141	137.1 Å²	137.1	86%	0.855	72%	0.717	S	S	*	*			trans	-62.8	92.2	168.4	179.8	0	0	0	0	106.1	Q14 S18	Q14-V16 PolarHBondContact O-N 2.94Å; V16-S18 PolarHBondContact O-N 2.78Å
17	K	36.6	Very low	53.1	Low	188 Å²	188	136.6 Å²	136.6	82%	0.817	70%	0.699	S	S	*	*			trans	-57.9	105.3	170.9	-80.8	-178.3	178	175.9	0	107.1	D15 Q19	D15-K17 PolarHBondContact O-N 3.3Å; K17-Q19 PolarHBondContact O-N 3.03Å
18	S	40.3	Very low	54.8	Low	106 Å²	106	128.1 Å²	128.1	74%	0.741	66%	0.662	S	S	*	*			trans	-49.9	119.7	161.6	64.9	0	0	0	0	106.6	V16 G20	V16-S18 PolarHBondContact O-N 2.78Å; S18-G20 PolarHBondContact O-N 3.19Å
19	Q	46.3	Very low	56.8	Low	198 Å²	198	119.3 Å²	119.3	93%	0.925	62%	0.624	S	S	*	*			trans	-63	80.6	177	-74.1	177.4	-22.1	0	0	109.2	K17	K17-Q19 PolarHBondContact O-N 3.03Å
20	G	63.3	Low	59.2	Low	55 Å²	55	110.9 Å²	110.9	57%	0.567	59%	0.588	S	S	*	*			trans	-71	135.4	173.4	0	0	0	0	0	109	S18 M22	S18-G20 PolarHBondContact O-N 3.19Å; G20-M22 PolarHBondContact O-N 2.98Å; G20-M22 VanDerWaalsContact O-N 3.15Å
21	I	76.3	Confident	61.7	Low	48 Å²	48	106.8 Å²	106.8	25%	0.246	56%	0.557	C	S	.	*			trans	-56.8	123.3	173.7	-58.8	-162.2	0	0	0	108.7	F23 L83 E86	I21-F23 HydrophobicContact CG2-CE1 4.44Å; I21-F23 PolarHBondContact O-N 2.69Å; I21-L83 HydrophobicContact CD1-CD2 4.35Å; I21-L83 HydrophobicContact CG2-CD2 4.3Å; I21-E86 HydrophobicContact CD1-CB 3.95Å; I21-E86 HydrophobicContact CD1-CG 4.22Å; I21-E86 WeakPolarHBondContact CD1-OE2 3.26Å
22	M	79.1	Confident	64.3	Low	159 Å²	159	95.9 Å²	95.9	78%	0.783	52%	0.517	S	S	*	.			trans	-75	114.1	173.7	-71.8	-105	-74.4	0	0	108.7	G20 R82	G20-M22 PolarHBondContact O-N 2.98Å; G20-M22 VanDerWaalsContact O-N 3.15Å; M22-R82 PolarHBondContact O-NH1 2.75Å; M22-R82 PolarHBondContact O-NH2 3.27Å
23	F	83.6	Confident	66.9	Low	50 Å²	50	92.9 Å²	92.9	22%	0.219	50%	0.501	C	S	.	.			trans	-80.3	134.7	176	-58.1	-64.7	0	0	0	110.6	I21 T25 Q29 I31 T60 L83 P191	I21-F23 HydrophobicContact CG2-CE1 4.44Å; I21-F23 PolarHBondContact O-N 2.69Å; F23-T25 PolarHBondContact O-N 2.88Å; F23-Q29 HydrophobicContact CB-CB 4.27Å; F23-I31 HydrophobicContact CD1-CD1 4.17Å; F23-I31 HydrophobicContact CD1-CG1 3.79Å; F23-I31 HydrophobicContact CD2-CG1 4.44Å; F23-I31 HydrophobicContact CE1-CD1 3.9Å; F23-I31 HydrophobicContact CE1-CG1 3.41Å; F23-I31 VanDerWaalsContact CE1-CG1 3.41Å; F23-I31 HydrophobicContact CE2-CG1 4.12Å; F23-I31 HydrophobicContact CG-CG1 4.3Å; F23-I31 HydrophobicContact CZ-CG1 3.61Å; F23-T60 HydrophobicContact CE1-CG2 4.06Å; F23-T60 HydrophobicContact CZ-CG2 3.84Å; F23-L83 HydrophobicContact CE1-CD2 4.02Å; F23-P191 HydrophobicContact CB-CG 4.45Å
24	N	79.8	Confident	69.7	Low	75 Å²	75	86.5 Å²	86.5	40%	0.401	47%	0.473	S	S	.	.			trans	-90.4	101.1	178	-175.9	-9.2	0	0	0	110.4	G26 I27 Q29	N24-G26 PolarHBondContact O-N 2.89Å; N24-G26 WeakPolarHBondContact OD1-CA 3.46Å; N24-G26 PolarHBondContact OD1-N 3.26Å; N24-I27 HydrophobicContact CB-CD1 3.94Å; N24-I27 HydrophobicContact CB-CG1 3.75Å; N24-I27 VanDerWaalsContact O-CG1 3.3Å; N24-I27 WeakPolarHBondContact O-CG1 3.39Å; N24-I27 PolarHBondContact O-N 3.09Å; N24-Q29 WeakPolarHBondContact O-CB 3.43Å; N24-Q29 PolarHBondContact O-N 3.36Å
25	T	75.9	Confident	72.5	Confident	84 Å²	84	81.6 Å²	81.6	52%	0.515	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-64.7	-25.7	176.6	49.3	0	0	0	0	113.3	F23 I27 G28 P191	F23-T25 PolarHBondContact O-N 2.88Å; T25-I27 VanDerWaalsContact C-N 3.28Å; T25-I27 PolarHBondContact O-N 3.44Å; T25-G28 PolarHBondContact O-N 3.02Å; T25-G28 VanDerWaalsContact O-N 3.15Å; T25-P191 HydrophobicContact CG2-CB 4.01Å; T25-P191 HydrophobicContact CG2-CG 3.28Å
26	G	71.6	Confident	75.4	Confident	59 Å²	59	80.7 Å²	80.7	61%	0.608	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-64.7	-34.2	-179.2	0	0	0	0	0	112.6	N24	N24-G26 PolarHBondContact O-N 2.89Å; N24-G26 WeakPolarHBondContact OD1-CA 3.46Å; N24-G26 PolarHBondContact OD1-N 3.26Å
27	I	76.1	Confident	78.2	Confident	87 Å²	87	75.3 Å²	75.3	45%	0.446	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-94.8	9.5	176.5	64.2	173.6	0	0	0	112.9	N24 T25 Q29	N24-I27 HydrophobicContact CB-CD1 3.94Å; N24-I27 HydrophobicContact CB-CG1 3.75Å; N24-I27 VanDerWaalsContact O-CG1 3.3Å; N24-I27 WeakPolarHBondContact O-CG1 3.39Å; N24-I27 PolarHBondContact O-N 3.09Å; T25-I27 VanDerWaalsContact C-N 3.28Å; T25-I27 PolarHBondContact O-N 3.44Å; I27-Q29 HydrophobicContact CD1-CG 4.08Å; I27-Q29 HydrophobicContact CG1-CG 4.01Å
28	G	78.1	Confident	81	Confident	10 Å²	10	66.6 Å²	66.6	10%	0.103	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	22.2	175.1	0	0	0	0	0	115.7	T25 H30	T25-G28 PolarHBondContact O-N 3.02Å; T25-G28 VanDerWaalsContact O-N 3.15Å; G28-H30 PolarHBondContact O-CD2 2.94Å; G28-H30 PolarHBondContact O-N 3.28Å
29	Q	85.7	Confident	83.7	Confident	21 Å²	21	65 Å²	65	10%	0.098	36%	0.363	C	S	.	.			trans	-71.6	96.4	175.6	-73.9	178	-18.1	0	0	111.3	F23 N24 I27 D80	F23-Q29 HydrophobicContact CB-CB 4.27Å; N24-Q29 WeakPolarHBondContact O-CB 3.43Å; N24-Q29 PolarHBondContact O-N 3.36Å; I27-Q29 HydrophobicContact CD1-CG 4.08Å; I27-Q29 HydrophobicContact CG1-CG 4.01Å; Q29-D80 PolarHBondContact NE2-OD2 3.05Å
30	H	91	Very high	86.1	Confident	28 Å²	28	56.2 Å²	56.2	13%	0.13	33%	0.325	C	S	.	.			trans	-120.5	105	175.2	-63.4	-69.8	0	0	0	110	G28 N121 F189 P191	G28-H30 PolarHBondContact O-CD2 2.94Å; G28-H30 PolarHBondContact O-N 3.28Å; H30-N121 PolarHBondContact O-ND2 2.92Å; H30-F189 HydrophobicContact CB-CB 4.37Å; H30-F189 HydrophobicContact CB-CD1 3.93Å; H30-F189 HydrophobicContact CB-CG 4.44Å; H30-P191 PolarHBondContact ND1-O 2.9Å
31	I	91.4	Very high	87.7	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.7	-176.1	-52.8	-53.9	0	0	0	110.2	F23 K33 T60 F189 R190	F23-I31 HydrophobicContact CD1-CD1 4.17Å; F23-I31 HydrophobicContact CD1-CG1 3.79Å; F23-I31 HydrophobicContact CD2-CG1 4.44Å; F23-I31 HydrophobicContact CE1-CD1 3.9Å; F23-I31 HydrophobicContact CE1-CG1 3.41Å; F23-I31 VanDerWaalsContact CE1-CG1 3.41Å; F23-I31 HydrophobicContact CE2-CG1 4.12Å; F23-I31 HydrophobicContact CG-CG1 4.3Å; F23-I31 HydrophobicContact CZ-CG1 3.61Å; I31-K33 PolarHBondContact O-N 3.47Å; I31-T60 HydrophobicContact CG1-CG2 4.47Å; I31-T60 HydrophobicContact CG2-CG2 4.32Å; I31-F189 CarbonylContact O-C 3.54Å; I31-F189 VanDerWaalsContact O-CA 3.24Å; I31-F189 WeakPolarHBondContact O-CA 3.25Å; I31-R190 WeakPolarHBondContact CB-O 3.36Å; I31-R190 PolarHBondContact N-O 2.92Å; I31-R190 PolarHBondContact O-N 2.99Å
32	L	93.4	Very high	88.6	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	117.5	171.9	-175.5	65.5	0	0	0	109.6	I37 V38 I41 N62 M63 M147 V184 N188 F189	L32-I37 HydrophobicContact CD1-CB 4.34Å; L32-I37 HydrophobicContact CD1-CG2 4.06Å; L32-I37 HydrophobicContact CD2-CG2 4.08Å; L32-V38 HydrophobicContact CD2-CG2 3.66Å; L32-V38 HydrophobicContact CG-CG2 4Å; L32-I41 HydrophobicContact CD2-CD1 3.86Å; L32-N62 PolarHBondContact O-ND2 3.24Å; L32-M63 HydrophobicContact CD2-CE 3.79Å; L32-M147 HydrophobicContact CD2-CE 4.41Å; L32-V184 HydrophobicContact CD1-CG1 4.42Å; L32-N188 HydrophobicContact CD1-CB 4.16Å; L32-F189 HydrophobicContact CB-CE1 4.46Å; L32-F189 HydrophobicContact CD1-CE1 4.23Å; L32-F189 HydrophobicContact CD1-CZ 4.35Å
33	K	92.7	Very high	89.5	Confident	115 Å²	115	51 Å²	51	50%	0.5	28%	0.284	S	S	.	.			trans	-107	-20.5	-177	62.2	167.5	-179.5	-170.6	0	114.2	I31 P35 N187 N188 R190	I31-K33 PolarHBondContact O-N 3.47Å; K33-P35 VanDerWaalsContact O-CD 3.27Å; K33-P35 WeakPolarHBondContact O-CD 3.45Å; K33-N187 WeakPolarHBondContact CE-O 3.41Å; K33-N187 PolarHBondContact NZ-O 3.42Å; K33-N188 WeakPolarHBondContact CG-O 3.27Å; K33-N188 PolarHBondContact N-O 3.3Å; K33-R190 HydrophobicContact CD-CB 4.31Å
34	N	94.6	Very high	90.1	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.214	29%	0.293	C	S	.	.			trans	-77.4	114	-175.6	-173.7	-25.3	0	0	0	110.8	L36 I37 V38 N188	N34-L36 VanDerWaalsContact C-N 3.27Å; N34-L36 PolarHBondContact O-N 2.91Å; N34-L36 WeakPolarHBondContact OD1-CB 3.37Å; N34-L36 PolarHBondContact OD1-N 3.31Å; N34-I37 HydrophobicContact CB-CB 4.35Å; N34-I37 HydrophobicContact CB-CG1 3.96Å; N34-I37 PolarHBondContact O-N 3.07Å; N34-V38 WeakPolarHBondContact O-CG2 3.44Å; N34-V38 PolarHBondContact O-N 3.46Å; N34-N188 HydrophobicContact CB-CB 3.97Å; N34-N188 VanDerWaalsContact CB-OD1 3.31Å; N34-N188 WeakPolarHBondContact CB-OD1 3.4Å; N34-N188 PolarHBondContact ND2-OD1 3.32Å
35	P	94.5	Very high	90.9	Very high	76 Å²	76	49.7 Å²	49.7	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-25.9	-176.5	27.4	-34.4	0	0	0	113.4	K33 N39 K66	K33-P35 VanDerWaalsContact O-CD 3.27Å; K33-P35 WeakPolarHBondContact O-CD 3.45Å; P35-N39 WeakPolarHBondContact O-CB 3.41Å; P35-N39 VanDerWaalsContact O-CG 3.25Å; P35-N39 PolarHBondContact O-N 3.31Å; P35-N39 PolarHBondContact O-ND2 2.99Å; P35-K66 PolarHBondContact O-NZ 3.47Å
36	L	96.2	Very high	91.9	Very high	129 Å²	129	48.2 Å²	48.2	68%	0.675	27%	0.27	S	S	*	.	H	α-helix	trans	-69.1	-42.3	177.3	-61.9	174.7	0	0	0	111.2	N34 N39 G40	N34-L36 VanDerWaalsContact C-N 3.27Å; N34-L36 PolarHBondContact O-N 2.91Å; N34-L36 WeakPolarHBondContact OD1-CB 3.37Å; N34-L36 PolarHBondContact OD1-N 3.31Å; L36-N39 PolarHBondContact O-N 3.49Å; L36-G40 PolarHBondContact O-N 3.48Å
37	I	96.1	Very high	93.1	Very high	28 Å²	28	46.9 Å²	46.9	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-42.2	175.9	-57.4	-61	0	0	0	110.2	L32 N34 N39 G40 I41 V184	L32-I37 HydrophobicContact CD1-CB 4.34Å; L32-I37 HydrophobicContact CD1-CG2 4.06Å; L32-I37 HydrophobicContact CD2-CG2 4.08Å; N34-I37 HydrophobicContact CB-CB 4.35Å; N34-I37 HydrophobicContact CB-CG1 3.96Å; N34-I37 PolarHBondContact O-N 3.07Å; I37-N39 VanDerWaalsContact C-N 3.34Å; I37-N39 PolarHBondContact O-N 3.15Å; I37-G40 PolarHBondContact O-N 3.46Å; I37-I41 HydrophobicContact CG2-CD1 4.06Å; I37-I41 WeakPolarHBondContact O-CG1 3.45Å; I37-I41 PolarHBondContact O-N 3.27Å; I37-V184 HydrophobicContact CG1-CG1 4.49Å; I37-V184 HydrophobicContact CG2-CG1 4.08Å; I37-V184 HydrophobicContact CG2-CG2 3.8Å
38	V	95.9	Very high	94.2	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-46.7	175	177	0	0	0	0	110.7	L32 N34 G40 I41 I42 M63 K66	L32-V38 HydrophobicContact CD2-CG2 3.66Å; L32-V38 HydrophobicContact CG-CG2 4Å; N34-V38 WeakPolarHBondContact O-CG2 3.44Å; N34-V38 PolarHBondContact O-N 3.46Å; V38-G40 VanDerWaalsContact C-N 3.34Å; V38-G40 PolarHBondContact O-N 2.97Å; V38-I41 PolarHBondContact O-N 2.97Å; V38-I42 HydrophobicContact CG1-CD1 3.89Å; V38-I42 VanDerWaalsContact O-CG1 3.31Å; V38-I42 WeakPolarHBondContact O-CG1 3.31Å; V38-I42 PolarHBondContact O-N 3.2Å; V38-M63 HydrophobicContact CG1-CB 4.03Å; V38-M63 HydrophobicContact CG1-CE 4.46Å; V38-M63 HydrophobicContact CG1-CG 4.02Å; V38-M63 HydrophobicContact CG2-CE 4.42Å; V38-K66 HydrophobicContact CG1-CD 3.77Å
39	N	95.9	Very high	95.1	Very high	74 Å²	74	54 Å²	54	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-44.2	176.8	-75.7	-11.9	0	0	0	111.9	P35 L36 I37 I41 I42 E43 K66	P35-N39 WeakPolarHBondContact O-CB 3.41Å; P35-N39 VanDerWaalsContact O-CG 3.25Å; P35-N39 PolarHBondContact O-N 3.31Å; P35-N39 PolarHBondContact O-ND2 2.99Å; L36-N39 PolarHBondContact O-N 3.49Å; I37-N39 VanDerWaalsContact C-N 3.34Å; I37-N39 PolarHBondContact O-N 3.15Å; N39-I41 PolarHBondContact O-N 3.32Å; N39-I42 PolarHBondContact O-N 3.05Å; N39-E43 WeakPolarHBondContact O-CB 3.41Å; N39-E43 PolarHBondContact O-N 2.89Å; N39-K66 WeakPolarHBondContact OD1-CD 3.29Å; N39-K66 WeakPolarHBondContact OD1-CE 3.22Å; N39-K66 PolarHBondContact OD1-NZ 2.66Å
40	G	96.8	Very high	95.7	Very high	13 Å²	13	57.7 Å²	57.7	13%	0.134	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-40.1	177.3	0	0	0	0	0	113	L36 I37 V38 E43 K44	L36-G40 PolarHBondContact O-N 3.48Å; I37-G40 PolarHBondContact O-N 3.46Å; V38-G40 VanDerWaalsContact C-N 3.34Å; V38-G40 PolarHBondContact O-N 2.97Å; G40-E43 PolarHBondContact O-N 3.19Å; G40-K44 WeakPolarHBondContact O-CB 3.49Å; G40-K44 WeakPolarHBondContact O-CG 3.45Å; G40-K44 PolarHBondContact O-N 2.89Å
41	I	96.6	Very high	96	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-47.8	174.4	-71.7	168.5	0	0	0	110.6	L32 I37 V38 N39 E43 K44 A45 M63 V119 V145 V199	L32-I41 HydrophobicContact CD2-CD1 3.86Å; I37-I41 HydrophobicContact CG2-CD1 4.06Å; I37-I41 WeakPolarHBondContact O-CG1 3.45Å; I37-I41 PolarHBondContact O-N 3.27Å; V38-I41 PolarHBondContact O-N 2.97Å; N39-I41 PolarHBondContact O-N 3.32Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-E43 PolarHBondContact O-N 3.29Å; I41-K44 PolarHBondContact O-N 3.21Å; I41-A45 WeakPolarHBondContact O-CB 3.37Å; I41-A45 PolarHBondContact O-N 3.04Å; I41-M63 HydrophobicContact CD1-CE 3.8Å; I41-M63 HydrophobicContact CG2-CE 4.18Å; I41-M63 HydrophobicContact CG2-SD 4.01Å; I41-V119 HydrophobicContact CG2-CG1 3.54Å; I41-V145 HydrophobicContact CG2-CG1 3.89Å; I41-V199 HydrophobicContact CD1-CG2 4.04Å; I41-V199 HydrophobicContact CG1-CG1 4.19Å; I41-V199 HydrophobicContact CG1-CG2 3.88Å
42	I	96.1	Very high	96.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-39	-178.4	-67.4	173.6	0	0	0	111.4	V38 N39 A45 L47 M63 K66 L67 K70	V38-I42 HydrophobicContact CG1-CD1 3.89Å; V38-I42 VanDerWaalsContact O-CG1 3.31Å; V38-I42 WeakPolarHBondContact O-CG1 3.31Å; V38-I42 PolarHBondContact O-N 3.2Å; N39-I42 PolarHBondContact O-N 3.05Å; I42-A45 WeakPolarHBondContact O-CB 3.44Å; I42-A45 PolarHBondContact O-N 3.37Å; I42-L47 HydrophobicContact CG2-CD1 4.16Å; I42-M63 HydrophobicContact CD1-CG 4.29Å; I42-M63 HydrophobicContact CG1-CG 4.36Å; I42-K66 HydrophobicContact CD1-CB 3.24Å; I42-K66 HydrophobicContact CD1-CD 3.97Å; I42-K66 HydrophobicContact CD1-CG 4.25Å; I42-L67 HydrophobicContact CD1-CD2 4.32Å; I42-L67 HydrophobicContact CG1-CD2 3.93Å; I42-K70 HydrophobicContact CG2-CD 3.73Å
43	E	96.7	Very high	96.6	Very high	145 Å²	145	56.3 Å²	56.3	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-64	-47	175.3	-173.9	-179.7	-175.7	0	0	111.2	N39 G40 I41 A45 A46	N39-E43 WeakPolarHBondContact O-CB 3.41Å; N39-E43 PolarHBondContact O-N 2.89Å; G40-E43 PolarHBondContact O-N 3.19Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-E43 PolarHBondContact O-N 3.29Å; E43-A45 PolarHBondContact O-N 3.33Å; E43-A46 PolarHBondContact O-N 3.08Å
44	K	96.7	Very high	96.9	Very high	97 Å²	97	50.9 Å²	50.9	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-21.5	177.1	-65.7	-63.7	-178.1	-174.8	0	113.6	G40 I41 A46 L181 M182 R201	G40-K44 WeakPolarHBondContact O-CB 3.49Å; G40-K44 WeakPolarHBondContact O-CG 3.45Å; G40-K44 PolarHBondContact O-N 2.89Å; I41-K44 PolarHBondContact O-N 3.21Å; K44-A46 PolarHBondContact O-N 3.04Å; K44-L181 HydrophobicContact CB-CD1 3.74Å; K44-L181 HydrophobicContact CD-CD2 4.48Å; K44-L181 HydrophobicContact CG-CD1 4.17Å; K44-M182 HydrophobicContact CG-CE 3.99Å; K44-R201 PolarHBondContact O-NH1 2.85Å
45	A	96.6	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.8	172.2	0	0	0	0	0	113.1	I41 I42 E43 L47 V117 V119 V145	I41-A45 WeakPolarHBondContact O-CB 3.37Å; I41-A45 PolarHBondContact O-N 3.04Å; I42-A45 WeakPolarHBondContact O-CB 3.44Å; I42-A45 PolarHBondContact O-N 3.37Å; E43-A45 PolarHBondContact O-N 3.33Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 HydrophobicContact CB-CD2 4.03Å; A45-L47 HydrophobicContact CB-CG 4.21Å; A45-L47 PolarHBondContact O-N 3.21Å; A45-V117 HydrophobicContact CB-CG1 4.16Å; A45-V119 HydrophobicContact CB-CG2 4.2Å; A45-V145 HydrophobicContact CB-CG2 3.95Å
46	A	97	Very high	97.2	Very high	53 Å²	53	45.8 Å²	45.8	44%	0.438	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	53.4	176.2	0	0	0	0	0	112.3	E43 K44 R142	E43-A46 PolarHBondContact O-N 3.08Å; K44-A46 PolarHBondContact O-N 3.04Å; A46-R142 PolarHBondContact O-NH2 3.28Å
47	L	97.8	Very high	97.1	Very high	31 Å²	31	40.6 Å²	40.6	16%	0.162	22%	0.223	C	C	.	.			trans	-65.6	140.2	-177.2	-61.2	-177.2	0	0	0	111.5	I42 A45 V53 L67 K70 V117	I42-L47 HydrophobicContact CG2-CD1 4.16Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 HydrophobicContact CB-CD2 4.03Å; A45-L47 HydrophobicContact CB-CG 4.21Å; A45-L47 PolarHBondContact O-N 3.21Å; L47-V53 HydrophobicContact CD1-CG2 4.37Å; L47-V53 HydrophobicContact CD2-CG2 3.66Å; L47-L67 HydrophobicContact CD1-CD2 3.66Å; L47-K70 HydrophobicContact CD1-CB 4.07Å; L47-V117 HydrophobicContact CD2-CB 4.01Å; L47-V117 HydrophobicContact CD2-CG1 3.88Å; L47-V117 HydrophobicContact CD2-CG2 4.15Å
48	R	98.1	Very high	97	Very high	138 Å²	138	39.7 Å²	39.7	52%	0.521	22%	0.219	S	C	.	.			trans	-103	149.1	170.2	-55.4	173.9	-179.5	171.2	-3.6	109.1	T50 D51	R48-T50 PolarHBondContact O-N 3.48Å; R48-D51 PolarHBondContact N-OD2 3.41Å; R48-D51 WeakPolarHBondContact O-CB 3.31Å; R48-D51 PolarHBondContact O-N 3.37Å
49	P	97.3	Very high	96.8	Very high	107 Å²	107	39.8 Å²	39.8	70%	0.695	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.3	178.1	-25.6	35	0	0	0	114.5	K70 K72	P49-K70 WeakPolarHBondContact CA-O 3.48Å; P49-K72 WeakPolarHBondContact O-CB 3.29Å; P49-K72 PolarHBondContact O-N 3.45Å
50	T	98	Very high	96.6	Very high	99 Å²	99	37 Å²	37	61%	0.607	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.5	179.9	52.8	0	0	0	0	113.9	R48	R48-T50 PolarHBondContact O-N 3.48Å
51	D	98.4	Very high	96.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.011	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-68.9	143.4	-170.5	-71.8	-19.8	0	0	0	112.3	R48 V53 K72 K73 D116 R142	R48-D51 PolarHBondContact N-OD2 3.41Å; R48-D51 WeakPolarHBondContact O-CB 3.31Å; R48-D51 PolarHBondContact O-N 3.37Å; D51-V53 HydrophobicContact CB-CG2 4.48Å; D51-K72 WeakPolarHBondContact O-CB 3.47Å; D51-K72 PolarHBondContact O-N 3.24Å; D51-K73 PolarHBondContact O-N 3.18Å; D51-D116 WeakPolarHBondContact CA-OD2 3.32Å; D51-D116 HydrophobicContact CB-CB 3.95Å; D51-R142 IonicContact OD1-CZ 3.14Å; D51-R142 IonicContact OD1-NH1 2.8Å; D51-R142 PolarHBondContact OD1-NH1 3.05Å; D51-R142 IonicContact OD1-NH2 3.47Å; D51-R142 IonicContact OD2-CZ 3.67Å; D51-R142 IonicContact OD2-NH1 3.37Å; D51-R142 PolarHBondContact OD2-NH1 3.48Å; D51-R142 IonicContact OD2-NH2 3.62Å; D51-R142 PolarHBondContact OD2-NH2 3.28Å
52	V	98.7	Very high	96.4	Very high	24 Å²	24	38.4 Å²	38.4	15%	0.145	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.8	158.4	-178.2	0	0	0	0	108.2	K73 V75 F115 D116 V117	V52-K73 WeakPolarHBondContact CA-O 3.27Å; V52-K73 HydrophobicContact CG1-CB 4.4Å; V52-K73 HydrophobicContact CG2-CB 4.33Å; V52-V75 HydrophobicContact CG1-CG2 4.14Å; V52-F115 HydrophobicContact CG1-CB 4.39Å; V52-D116 PolarHBondContact N-OD2 3.32Å; V52-D116 PolarHBondContact O-N 2.76Å; V52-V117 PolarHBondContact O-N 2.86Å
53	V	98.7	Very high	96.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.8	-179.6	-179.5	0	0	0	0	110.3	L47 D51 L67 A71 K73 V74 V75 V117 V119	L47-V53 HydrophobicContact CD1-CG2 4.37Å; L47-V53 HydrophobicContact CD2-CG2 3.66Å; D51-V53 HydrophobicContact CB-CG2 4.48Å; V53-L67 HydrophobicContact CG1-CD1 4.11Å; V53-L67 HydrophobicContact CG1-CD2 4.29Å; V53-A71 HydrophobicContact CB-CB 4.5Å; V53-A71 HydrophobicContact CG2-CB 3.67Å; V53-K73 PolarHBondContact N-O 3.23Å; V53-V74 HydrophobicContact CB-CG2 4.36Å; V53-V74 CarbonylContact O-C 3.54Å; V53-V74 WeakPolarHBondContact O-CA 3.4Å; V53-V75 PolarHBondContact O-N 3.29Å; V53-V117 CarbonylContact C-O 3.59Å; V53-V117 VanDerWaalsContact CA-O 3.29Å; V53-V117 WeakPolarHBondContact CA-O 2.97Å; V53-V119 HydrophobicContact CG1-CG2 4.3Å
54	L	98.6	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.7	167	178.9	69.2	0	0	0	109.3	V56 V75 L112 F115 V117 C118 V119	L54-V56 HydrophobicContact CD1-CG2 4.41Å; L54-V56 HydrophobicContact CD2-CG2 4.11Å; L54-V56 HydrophobicContact CG-CG2 3.95Å; L54-V75 CarbonylContact C-O 3.52Å; L54-V75 WeakPolarHBondContact CA-O 3.17Å; L54-V75 HydrophobicContact CD1-CB 4.3Å; L54-V75 HydrophobicContact CD1-CG1 4.2Å; L54-L112 HydrophobicContact CD2-CD1 4.22Å; L54-L112 HydrophobicContact CD2-CD2 4.14Å; L54-F115 HydrophobicContact CB-CB 3.82Å; L54-F115 HydrophobicContact CB-CD1 3.82Å; L54-F115 HydrophobicContact CB-CD2 3.91Å; L54-F115 HydrophobicContact CB-CE1 4.43Å; L54-F115 HydrophobicContact CB-CE2 4.47Å; L54-F115 HydrophobicContact CB-CG 3.56Å; L54-F115 HydrophobicContact CD2-CD1 3.71Å; L54-F115 HydrophobicContact CD2-CD2 4.48Å; L54-F115 HydrophobicContact CD2-CE1 3.53Å; L54-F115 HydrophobicContact CD2-CE2 4.3Å; L54-F115 HydrophobicContact CD2-CG 4.23Å; L54-F115 HydrophobicContact CD2-CZ 3.86Å; L54-F115 HydrophobicContact CG-CD1 4.3Å; L54-F115 HydrophobicContact CG-CG 4.5Å; L54-V117 PolarHBondContact N-O 3.46Å; L54-C118 HydrophobicContact CB-CB 4.32Å; L54-C118 CarbonylContact O-C 3.39Å; L54-C118 VanDerWaalsContact O-CA 3.26Å; L54-C118 WeakPolarHBondContact O-CA 3.24Å; L54-V119 PolarHBondContact O-N 3.45Å
55	E	98.2	Very high	96.3	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.6	171.1	-173.8	178.2	-164.1	0	0	110.1	P58 M63 T64 L67 V74 V75 A76 C77 V119	E55-P58 HydrophobicContact CG-CB 4.25Å; E55-M63 WeakPolarHBondContact OE1-CB 3.38Å; E55-T64 PolarHBondContact OE1-N 2.93Å; E55-T64 PolarHBondContact OE1-OG1 2.99Å; E55-T64 WeakPolarHBondContact OE2-CA 3.47Å; E55-T64 WeakPolarHBondContact OE2-CB 3.48Å; E55-T64 VanDerWaalsContact OE2-CG2 3.3Å; E55-T64 WeakPolarHBondContact OE2-CG2 3.39Å; E55-T64 PolarHBondContact OE2-N 3.44Å; E55-T64 PolarHBondContact OE2-OG1 2.76Å; E55-L67 HydrophobicContact CB-CD1 4.12Å; E55-L67 HydrophobicContact CG-CD1 4.16Å; E55-V74 HydrophobicContact CB-CG1 4.17Å; E55-V75 PolarHBondContact N-O 2.8Å; E55-A76 CarbonylContact O-C 3.21Å; E55-A76 VanDerWaalsContact O-CA 3.28Å; E55-A76 WeakPolarHBondContact O-CA 3.12Å; E55-C77 PolarHBondContact O-N 2.96Å; E55-V119 VanDerWaalsContact CA-O 3.25Å; E55-V119 WeakPolarHBondContact CA-O 3.26Å
56	V	96.4	Very high	96.3	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.8	176.5	-171.1	0	0	0	0	110.5	L54 C77 V107 V119 A120 N121 L122 F130	L54-V56 HydrophobicContact CD1-CG2 4.41Å; L54-V56 HydrophobicContact CD2-CG2 4.11Å; L54-V56 HydrophobicContact CG-CG2 3.95Å; V56-C77 HydrophobicContact CG1-CB 4.27Å; V56-C77 HydrophobicContact CG2-CB 4.29Å; V56-V107 HydrophobicContact CG1-CB 3.98Å; V56-V107 HydrophobicContact CG1-CG1 3.86Å; V56-V107 HydrophobicContact CG1-CG2 3.79Å; V56-V107 HydrophobicContact CG2-CG2 4.06Å; V56-V119 PolarHBondContact N-O 3.43Å; V56-A120 HydrophobicContact CB-CB 3.93Å; V56-A120 WeakPolarHBondContact O-CA 3.36Å; V56-N121 PolarHBondContact O-N 3.37Å; V56-L122 HydrophobicContact CB-CD2 3.72Å; V56-L122 HydrophobicContact CG1-CD2 3.28Å; V56-F130 HydrophobicContact CB-CE2 4.38Å; V56-F130 HydrophobicContact CB-CZ 4.11Å; V56-F130 HydrophobicContact CG1-CE2 4.24Å; V56-F130 HydrophobicContact CG1-CZ 4.42Å; V56-F130 HydrophobicContact CG2-CE2 3.82Å; V56-F130 HydrophobicContact CG2-CZ 3.57Å
57	G	93.8	Very high	96.3	Very high	21 Å²	21	28.2 Å²	28.2	22%	0.216	16%	0.157	C	C	.	.			trans	71.9	59.4	-171.3	0	0	0	0	0	112.3	G59 C77	G57-G59 PolarHBondContact O-N 2.68Å; G57-C77 PolarHBondContact N-O 3.37Å
58	P	94.4	Very high	96.3	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.058	15%	0.149	C	C	.	.			trans	-62.3	-23.9	179	30.8	-39.7	0	0	0	112.7	E55 T60 G61 T64 A76 C77 E78 L87	E55-P58 HydrophobicContact CG-CB 4.25Å; P58-T60 PolarHBondContact O-N 3.3Å; P58-G61 PolarHBondContact O-N 2.76Å; P58-T64 WeakPolarHBondContact CB-OG1 3.31Å; P58-A76 HydrophobicContact CB-CB 4.17Å; P58-A76 HydrophobicContact CG-CB 4.02Å; P58-C77 WeakPolarHBondContact CD-O 3.4Å; P58-E78 WeakPolarHBondContact CD-OE2 3.4Å; P58-E78 HydrophobicContact CG-CB 3.86Å; P58-E78 HydrophobicContact CG-CG 4.36Å; P58-L87 HydrophobicContact CB-CD2 3.83Å; P58-L87 HydrophobicContact CG-CD2 3.85Å
59	G	92.4	Very high	96.3	Very high	5 Å²	5	26.2 Å²	26.2	5%	0.052	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-128	-179.1	0	0	0	0	0	111.4	G57 G61 E78	G57-G59 PolarHBondContact O-N 2.68Å; G59-G61 PolarHBondContact O-N 3Å; G59-E78 PolarHBondContact N-OE2 3.44Å
60	T	91.7	Very high	96.2	Very high	15 Å²	15	26.2 Å²	26.2	9%	0.092	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2	177.7	58.5	0	0	0	0	113.7	F23 I31 P58 L83 R90	F23-T60 HydrophobicContact CE1-CG2 4.06Å; F23-T60 HydrophobicContact CZ-CG2 3.84Å; I31-T60 HydrophobicContact CG1-CG2 4.47Å; I31-T60 HydrophobicContact CG2-CG2 4.32Å; P58-T60 PolarHBondContact O-N 3.3Å; T60-L83 HydrophobicContact CG2-CD2 4.42Å; T60-R90 WeakPolarHBondContact O-CD 3.34Å; T60-R90 PolarHBondContact O-NH1 3.44Å
61	G	94.2	Very high	96.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	88.8	15.6	177.4	0	0	0	0	0	116.2	P58 G59 M63 T64 V65	P58-G61 PolarHBondContact O-N 2.76Å; G59-G61 PolarHBondContact O-N 3Å; G61-M63 PolarHBondContact O-N 3.01Å; G61-T64 WeakPolarHBondContact CA-OG1 3.46Å; G61-T64 PolarHBondContact O-N 3.08Å; G61-V65 WeakPolarHBondContact O-CG2 3.49Å; G61-V65 PolarHBondContact O-N 3.47Å
62	N	93.8	Very high	96.2	Very high	47 Å²	47	28 Å²	28	25%	0.251	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.8	-179.2	-72.5	-20.3	0	0	0	113.2	L32 R90	L32-N62 PolarHBondContact O-ND2 3.24Å; N62-R90 PolarHBondContact OD1-NH1 2.83Å; N62-R90 PolarHBondContact OD1-NH2 2.99Å
63	M	95.4	Very high	96.2	Very high	14 Å²	14	30.6 Å²	30.6	7%	0.069	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-41.5	177.2	-169.8	174.1	-53.9	0	0	110.6	L32 V38 I41 I42 E55 G61 V65 K66 L67 V119	L32-M63 HydrophobicContact CD2-CE 3.79Å; V38-M63 HydrophobicContact CG1-CB 4.03Å; V38-M63 HydrophobicContact CG1-CE 4.46Å; V38-M63 HydrophobicContact CG1-CG 4.02Å; V38-M63 HydrophobicContact CG2-CE 4.42Å; I41-M63 HydrophobicContact CD1-CE 3.8Å; I41-M63 HydrophobicContact CG2-CE 4.18Å; I41-M63 HydrophobicContact CG2-SD 4.01Å; I42-M63 HydrophobicContact CD1-CG 4.29Å; I42-M63 HydrophobicContact CG1-CG 4.36Å; E55-M63 WeakPolarHBondContact OE1-CB 3.38Å; G61-M63 PolarHBondContact O-N 3.01Å; M63-V65 VanDerWaalsContact C-N 3.34Å; M63-V65 PolarHBondContact O-N 3.23Å; M63-K66 PolarHBondContact O-N 3.35Å; M63-L67 HydrophobicContact CG-CD1 4.01Å; M63-L67 HydrophobicContact CG-CG 4.15Å; M63-L67 WeakPolarHBondContact O-CG 3.33Å; M63-L67 PolarHBondContact O-N 3.21Å; M63-V119 HydrophobicContact SD-CB 4.36Å; M63-V119 HydrophobicContact SD-CG1 3.27Å; M63-V119 WeakPolarHBondContact SD-CG1 3.4Å
64	T	97.1	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-46.5	-50.1	176.5	-40.1	0	0	0	0	113.9	E55 P58 G61 K66 L67 L68 V74 L87 L100	E55-T64 PolarHBondContact OE1-N 2.93Å; E55-T64 PolarHBondContact OE1-OG1 2.99Å; E55-T64 WeakPolarHBondContact OE2-CA 3.47Å; E55-T64 WeakPolarHBondContact OE2-CB 3.48Å; E55-T64 VanDerWaalsContact OE2-CG2 3.3Å; E55-T64 WeakPolarHBondContact OE2-CG2 3.39Å; E55-T64 PolarHBondContact OE2-N 3.44Å; E55-T64 PolarHBondContact OE2-OG1 2.76Å; P58-T64 WeakPolarHBondContact CB-OG1 3.31Å; G61-T64 WeakPolarHBondContact CA-OG1 3.46Å; G61-T64 PolarHBondContact O-N 3.08Å; T64-K66 VanDerWaalsContact C-N 3.3Å; T64-K66 PolarHBondContact O-N 3.03Å; T64-L67 WeakPolarHBondContact O-CB 3.5Å; T64-L67 PolarHBondContact O-N 3.17Å; T64-L67 VanDerWaalsContact O-N 3.15Å; T64-L68 HydrophobicContact CG2-CD1 3.97Å; T64-L68 HydrophobicContact CG2-CG 4.4Å; T64-L68 VanDerWaalsContact O-CG 3.29Å; T64-L68 WeakPolarHBondContact O-CG 3.3Å; T64-L68 PolarHBondContact O-N 2.94Å; T64-V74 HydrophobicContact CG2-CG1 4.31Å; T64-L87 HydrophobicContact CG2-CD1 3.96Å; T64-L87 HydrophobicContact CG2-CD2 4.44Å; T64-L100 HydrophobicContact CG2-CD1 3.67Å; T64-L100 HydrophobicContact CG2-CD2 4.5Å
65	V	96.3	Very high	96.2	Very high	28 Å²	28	30.7 Å²	30.7	17%	0.17	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-39.7	-178	-64.5	0	0	0	0	112.4	G61 M63 L68 E69 R90 V91	G61-V65 WeakPolarHBondContact O-CG2 3.49Å; G61-V65 PolarHBondContact O-N 3.47Å; M63-V65 VanDerWaalsContact C-N 3.34Å; M63-V65 PolarHBondContact O-N 3.23Å; V65-L68 PolarHBondContact O-N 3.49Å; V65-E69 WeakPolarHBondContact O-CG 3.47Å; V65-E69 PolarHBondContact O-N 2.85Å; V65-R90 HydrophobicContact CG1-CG 4.32Å; V65-V91 HydrophobicContact CG1-CG1 4.37Å
66	K	96.4	Very high	96.2	Very high	44 Å²	44	30.4 Å²	30.4	19%	0.191	15%	0.15	C	C	.	.	H	α-helix	trans	-75.8	-28.5	178.6	-65.7	-178.1	175.6	-175.8	0	112.8	P35 V38 N39 I42 M63 T64	P35-K66 PolarHBondContact O-NZ 3.47Å; V38-K66 HydrophobicContact CG1-CD 3.77Å; N39-K66 WeakPolarHBondContact OD1-CD 3.29Å; N39-K66 WeakPolarHBondContact OD1-CE 3.22Å; N39-K66 PolarHBondContact OD1-NZ 2.66Å; I42-K66 HydrophobicContact CD1-CB 3.24Å; I42-K66 HydrophobicContact CD1-CD 3.97Å; I42-K66 HydrophobicContact CD1-CG 4.25Å; M63-K66 PolarHBondContact O-N 3.35Å; T64-K66 VanDerWaalsContact C-N 3.3Å; T64-K66 PolarHBondContact O-N 3.03Å
67	L	97.6	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-44.1	171.7	-66.3	173.2	0	0	0	110.5	I42 L47 V53 E55 M63 T64 E69 K70 A71 V74 V119	I42-L67 HydrophobicContact CD1-CD2 4.32Å; I42-L67 HydrophobicContact CG1-CD2 3.93Å; L47-L67 HydrophobicContact CD1-CD2 3.66Å; V53-L67 HydrophobicContact CG1-CD1 4.11Å; V53-L67 HydrophobicContact CG1-CD2 4.29Å; E55-L67 HydrophobicContact CB-CD1 4.12Å; E55-L67 HydrophobicContact CG-CD1 4.16Å; M63-L67 HydrophobicContact CG-CD1 4.01Å; M63-L67 HydrophobicContact CG-CG 4.15Å; M63-L67 WeakPolarHBondContact O-CG 3.33Å; M63-L67 PolarHBondContact O-N 3.21Å; T64-L67 WeakPolarHBondContact O-CB 3.5Å; T64-L67 PolarHBondContact O-N 3.17Å; T64-L67 VanDerWaalsContact O-N 3.15Å; L67-E69 VanDerWaalsContact C-N 3.27Å; L67-E69 PolarHBondContact O-N 2.85Å; L67-K70 PolarHBondContact O-N 3.5Å; L67-A71 WeakPolarHBondContact O-CB 3.29Å; L67-A71 PolarHBondContact O-N 3.41Å; L67-V74 HydrophobicContact CB-CG2 3.78Å; L67-V119 HydrophobicContact CD2-CG2 4.3Å
68	L	97.7	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-31.7	-179.9	-72.5	164.6	0	0	0	113.3	T64 V65 K70 V74 V91 L96 K99 L100	T64-L68 HydrophobicContact CG2-CD1 3.97Å; T64-L68 HydrophobicContact CG2-CG 4.4Å; T64-L68 VanDerWaalsContact O-CG 3.29Å; T64-L68 WeakPolarHBondContact O-CG 3.3Å; T64-L68 PolarHBondContact O-N 2.94Å; V65-L68 PolarHBondContact O-N 3.49Å; L68-K70 VanDerWaalsContact C-N 3.28Å; L68-K70 PolarHBondContact O-N 3.24Å; L68-V74 HydrophobicContact CB-CG2 4.49Å; L68-V74 HydrophobicContact CD2-CB 3.73Å; L68-V74 HydrophobicContact CD2-CG2 3.64Å; L68-V74 HydrophobicContact CG-CB 4.19Å; L68-V74 HydrophobicContact CG-CG2 3.84Å; L68-V91 HydrophobicContact CD1-CG1 3.9Å; L68-L96 HydrophobicContact CB-CB 4.07Å; L68-L96 HydrophobicContact CB-CD1 4.16Å; L68-L96 HydrophobicContact CB-CD2 4.11Å; L68-L96 HydrophobicContact CB-CG 4.34Å; L68-L96 HydrophobicContact CD1-CB 4.12Å; L68-K99 HydrophobicContact CD2-CB 3.6Å; L68-K99 PolarHBondContact O-NZ 2.78Å; L68-L100 HydrophobicContact CD1-CB 4.18Å; L68-L100 HydrophobicContact CD1-CD1 4.42Å; L68-L100 HydrophobicContact CD2-CB 3.91Å; L68-L100 HydrophobicContact CD2-CD1 4.43Å
69	E	96.3	Very high	96.2	Very high	126 Å²	126	35.3 Å²	35.3	59%	0.589	17%	0.169	S	C	*	.	H	α-helix	trans	-64.8	-31.3	174.2	-73.5	169.7	-177.9	0	0	112.6	V65 L67 L96	V65-E69 WeakPolarHBondContact O-CG 3.47Å; V65-E69 PolarHBondContact O-N 2.85Å; L67-E69 VanDerWaalsContact C-N 3.27Å; L67-E69 PolarHBondContact O-N 2.85Å; E69-L96 HydrophobicContact CG-CD1 4.36Å; E69-L96 HydrophobicContact CG-CD2 4.48Å
70	K	97.2	Very high	96.1	Very high	107 Å²	107	36.2 Å²	36.2	47%	0.465	17%	0.173	S	C	.	.	H	α-helix	trans	-106.7	-25.2	-171.5	-65.3	-173.8	178.3	-171.7	0	114.6	I42 L47 P49 L67 L68	I42-K70 HydrophobicContact CG2-CD 3.73Å; L47-K70 HydrophobicContact CD1-CB 4.07Å; P49-K70 WeakPolarHBondContact CA-O 3.48Å; L67-K70 PolarHBondContact O-N 3.5Å; L68-K70 VanDerWaalsContact C-N 3.28Å; L68-K70 PolarHBondContact O-N 3.24Å
71	A	97.9	Very high	96.2	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	20%	0.195	C	C	.	.	S	Bend	trans	-99	162.8	-175.4	0	0	0	0	0	112.7	V53 L67 V74 K99	V53-A71 HydrophobicContact CB-CB 4.5Å; V53-A71 HydrophobicContact CG2-CB 3.67Å; L67-A71 WeakPolarHBondContact O-CB 3.29Å; L67-A71 PolarHBondContact O-N 3.41Å; A71-V74 HydrophobicContact CB-CG2 4.26Å; A71-K99 PolarHBondContact O-NZ 2.81Å; A71-K99 VanDerWaalsContact O-NZ 3.09Å
72	K	97.9	Very high	96.2	Very high	136 Å²	136	44.9 Å²	44.9	59%	0.591	22%	0.216	S	C	*	.	S	Bend	trans	-69.8	-44.1	170.6	-179.4	179.8	176.6	-178.5	0	110.5	P49 D51 K99	P49-K72 WeakPolarHBondContact O-CB 3.29Å; P49-K72 PolarHBondContact O-N 3.45Å; D51-K72 WeakPolarHBondContact O-CB 3.47Å; D51-K72 PolarHBondContact O-N 3.24Å; K72-K99 WeakPolarHBondContact O-CG 3.31Å
73	K	98.4	Very high	96.1	Very high	79 Å²	79	42.8 Å²	42.8	34%	0.343	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	143	-176.7	-172.9	177	179.5	-178.1	0	109.9	D51 V52 V53 K99	D51-K73 PolarHBondContact O-N 3.18Å; V52-K73 WeakPolarHBondContact CA-O 3.27Å; V52-K73 HydrophobicContact CG1-CB 4.4Å; V52-K73 HydrophobicContact CG2-CB 4.33Å; V53-K73 PolarHBondContact N-O 3.23Å; K73-K99 WeakPolarHBondContact CA-O 3.15Å; K73-K99 WeakPolarHBondContact CG-O 3.38Å
74	V	98.6	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.8	170.5	-178	0	0	0	0	108.5	V53 E55 T64 L67 L68 A71 K99 L100 Q101	V53-V74 HydrophobicContact CB-CG2 4.36Å; V53-V74 CarbonylContact O-C 3.54Å; V53-V74 WeakPolarHBondContact O-CA 3.4Å; E55-V74 HydrophobicContact CB-CG1 4.17Å; T64-V74 HydrophobicContact CG2-CG1 4.31Å; L67-V74 HydrophobicContact CB-CG2 3.78Å; L68-V74 HydrophobicContact CB-CG2 4.49Å; L68-V74 HydrophobicContact CD2-CB 3.73Å; L68-V74 HydrophobicContact CD2-CG2 3.64Å; L68-V74 HydrophobicContact CG-CB 4.19Å; L68-V74 HydrophobicContact CG-CG2 3.84Å; A71-V74 HydrophobicContact CB-CG2 4.26Å; V74-K99 PolarHBondContact N-O 2.86Å; V74-L100 HydrophobicContact CB-CD1 4.3Å; V74-L100 HydrophobicContact CG1-CD1 4.31Å; V74-Q101 PolarHBondContact O-N 3.16Å
75	V	98.4	Very high	96	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.1	171.3	-176.8	0	0	0	0	107.2	V52 V53 L54 E55 Q101 L103 P113	V52-V75 HydrophobicContact CG1-CG2 4.14Å; V53-V75 PolarHBondContact O-N 3.29Å; L54-V75 CarbonylContact C-O 3.52Å; L54-V75 WeakPolarHBondContact CA-O 3.17Å; L54-V75 HydrophobicContact CD1-CB 4.3Å; L54-V75 HydrophobicContact CD1-CG1 4.2Å; E55-V75 PolarHBondContact N-O 2.8Å; V75-Q101 CarbonylContact C-O 3.52Å; V75-Q101 WeakPolarHBondContact CA-O 3.18Å; V75-Q101 HydrophobicContact CG2-CB 4.4Å; V75-L103 HydrophobicContact CG1-CD1 3.59Å; V75-L103 HydrophobicContact CG1-CG 3.8Å; V75-P113 HydrophobicContact CG1-CG 4Å; V75-P113 HydrophobicContact CG2-CG 4.36Å
76	A	97.9	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.7	-178.2	0	0	0	0	0	110.7	E55 P58 L87 L100 Q101 I102 L103	E55-A76 CarbonylContact O-C 3.21Å; E55-A76 VanDerWaalsContact O-CA 3.28Å; E55-A76 WeakPolarHBondContact O-CA 3.12Å; P58-A76 HydrophobicContact CB-CB 4.17Å; P58-A76 HydrophobicContact CG-CB 4.02Å; A76-L87 HydrophobicContact CB-CD2 4.22Å; A76-L100 HydrophobicContact CB-CD1 4.04Å; A76-Q101 PolarHBondContact N-O 3.47Å; A76-I102 HydrophobicContact CB-CG1 4.47Å; A76-I102 CarbonylContact O-C 3.54Å; A76-I102 WeakPolarHBondContact O-CA 3.3Å; A76-L103 PolarHBondContact O-N 3.1Å
77	C	96.9	Very high	95.9	Very high	4 Å²	4	45 Å²	45	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.2	174.9	-67.3	0	0	0	0	110.3	E55 V56 G57 P58 L103 V107	E55-C77 PolarHBondContact O-N 2.96Å; V56-C77 HydrophobicContact CG1-CB 4.27Å; V56-C77 HydrophobicContact CG2-CB 4.29Å; G57-C77 PolarHBondContact N-O 3.37Å; P58-C77 WeakPolarHBondContact CD-O 3.4Å; C77-L103 WeakPolarHBondContact CA-O 3.27Å; C77-V107 HydrophobicContact CB-CB 4.36Å; C77-V107 HydrophobicContact CB-CG2 4.06Å
78	E	94.7	Very high	95.8	Very high	18 Å²	18	50.1 Å²	50.1	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.6	-179.5	-177.2	53.1	-102.6	0	0	111.1	P58 G59 D80 L83 V84 L103 V104 G105	P58-E78 WeakPolarHBondContact CD-OE2 3.4Å; P58-E78 HydrophobicContact CG-CB 3.86Å; P58-E78 HydrophobicContact CG-CG 4.36Å; G59-E78 PolarHBondContact N-OE2 3.44Å; E78-D80 PolarHBondContact OE1-N 2.83Å; E78-L83 HydrophobicContact CG-CB 4.1Å; E78-V84 HydrophobicContact CB-CG2 3.75Å; E78-V84 HydrophobicContact CG-CG2 3.75Å; E78-L103 PolarHBondContact N-O 3.05Å; E78-V104 WeakPolarHBondContact O-CA 3.29Å; E78-G105 PolarHBondContact O-N 2.8Å
79	L	92.4	Very high	95.7	Very high	115 Å²	115	57.6 Å²	57.6	60%	0.602	28%	0.28	S	S	*	.	S	Bend	trans	-88.6	-37.3	178.8	-178.2	66.2	0	0	0	111.1	C81 D106	L79-C81 PolarHBondContact O-N 2.84Å; L79-D106 HydrophobicContact CD1-CB 4.35Å
80	D	92.3	Very high	95.6	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.123	27%	0.271	C	S	.	.			trans	-84.5	107.8	-176.3	-166.9	-26.3	0	0	0	111.5	Q29 E78 R82 L83 V84	Q29-D80 PolarHBondContact NE2-OD2 3.05Å; E78-D80 PolarHBondContact OE1-N 2.83Å; D80-R82 PolarHBondContact O-N 2.93Å; D80-R82 VanDerWaalsContact O-N 3.09Å; D80-R82 VanDerWaalsContact OD1-CB 3.25Å; D80-R82 WeakPolarHBondContact OD1-CB 3.22Å; D80-R82 WeakPolarHBondContact OD1-CG 3.32Å; D80-R82 IonicContact OD1-CZ 3.6Å; D80-R82 PolarHBondContact OD1-N 3.28Å; D80-R82 IonicContact OD1-NE 2.76Å; D80-R82 PolarHBondContact OD1-NE 2.74Å; D80-R82 VanDerWaalsContact OD1-NE 3.11Å; D80-R82 IonicContact OD1-NH2 2.63Å; D80-R82 IonicContact OD2-CZ 3.95Å; D80-R82 IonicContact OD2-NE 3.46Å; D80-R82 PolarHBondContact OD2-NE 2.84Å; D80-R82 IonicContact OD2-NH2 3.93Å; D80-R82 PolarHBondContact OD2-NH2 2.74Å; D80-L83 HydrophobicContact CB-CB 4.28Å; D80-L83 HydrophobicContact CB-CD1 3.93Å; D80-L83 HydrophobicContact CB-CG 4.1Å; D80-L83 PolarHBondContact O-N 2.87Å; D80-V84 PolarHBondContact O-N 3.01Å; D80-V84 VanDerWaalsContact O-N 3.09Å
81	C	92.8	Very high	95.5	Very high	83 Å²	83	51.8 Å²	51.8	56%	0.561	25%	0.25	S	S	*	.	H	α-helix	trans	-57.7	-25.7	179.1	-65.4	0	0	0	0	113.4	L79 V84 A85	L79-C81 PolarHBondContact O-N 2.84Å; C81-V84 WeakPolarHBondContact O-CB 3.36Å; C81-V84 PolarHBondContact O-N 3.27Å; C81-A85 PolarHBondContact O-N 2.91Å; C81-A85 VanDerWaalsContact O-N 3.12Å
82	R	93.6	Very high	95.3	Very high	115 Å²	115	57 Å²	57	43%	0.434	27%	0.274	S	S	.	.	H	α-helix	trans	-69.2	-40.3	177.1	-56.1	174.8	-62.2	148.6	5	111.1	M22 D80 A85 E86	M22-R82 PolarHBondContact O-NH1 2.75Å; M22-R82 PolarHBondContact O-NH2 3.27Å; D80-R82 PolarHBondContact O-N 2.93Å; D80-R82 VanDerWaalsContact O-N 3.09Å; D80-R82 VanDerWaalsContact OD1-CB 3.25Å; D80-R82 WeakPolarHBondContact OD1-CB 3.22Å; D80-R82 WeakPolarHBondContact OD1-CG 3.32Å; D80-R82 IonicContact OD1-CZ 3.6Å; D80-R82 PolarHBondContact OD1-N 3.28Å; D80-R82 IonicContact OD1-NE 2.76Å; D80-R82 PolarHBondContact OD1-NE 2.74Å; D80-R82 VanDerWaalsContact OD1-NE 3.11Å; D80-R82 IonicContact OD1-NH2 2.63Å; D80-R82 IonicContact OD2-CZ 3.95Å; D80-R82 IonicContact OD2-NE 3.46Å; D80-R82 PolarHBondContact OD2-NE 2.84Å; D80-R82 IonicContact OD2-NH2 3.93Å; D80-R82 PolarHBondContact OD2-NH2 2.74Å; R82-A85 PolarHBondContact O-N 2.96Å; R82-E86 PolarHBondContact O-N 3.38Å; R82-E86 VanDerWaalsContact O-N 3.13Å
83	L	93.2	Very high	95.1	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-71.8	-33.9	176.9	-66.1	175.4	0	0	0	111.2	I21 F23 T60 E78 D80 E86 L87	I21-L83 HydrophobicContact CD1-CD2 4.35Å; I21-L83 HydrophobicContact CG2-CD2 4.3Å; F23-L83 HydrophobicContact CE1-CD2 4.02Å; T60-L83 HydrophobicContact CG2-CD2 4.42Å; E78-L83 HydrophobicContact CG-CB 4.1Å; D80-L83 HydrophobicContact CB-CB 4.28Å; D80-L83 HydrophobicContact CB-CD1 3.93Å; D80-L83 HydrophobicContact CB-CG 4.1Å; D80-L83 PolarHBondContact O-N 2.87Å; L83-E86 PolarHBondContact O-N 2.96Å; L83-L87 VanDerWaalsContact O-CB 3.3Å; L83-L87 WeakPolarHBondContact O-CB 3.48Å; L83-L87 PolarHBondContact O-N 2.82Å
84	V	95.1	Very high	95	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-57.4	-49.6	170.8	172.1	0	0	0	0	110.9	E78 D80 C81 E86 L87 Q88 I102 V104	E78-V84 HydrophobicContact CB-CG2 3.75Å; E78-V84 HydrophobicContact CG-CG2 3.75Å; D80-V84 PolarHBondContact O-N 3.01Å; D80-V84 VanDerWaalsContact O-N 3.09Å; C81-V84 WeakPolarHBondContact O-CB 3.36Å; C81-V84 PolarHBondContact O-N 3.27Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.1Å; V84-L87 PolarHBondContact O-N 2.9Å; V84-Q88 HydrophobicContact CG1-CG 4.46Å; V84-Q88 WeakPolarHBondContact O-CB 3.41Å; V84-Q88 WeakPolarHBondContact O-CG 3.45Å; V84-Q88 PolarHBondContact O-N 3.05Å; V84-I102 HydrophobicContact CG1-CD1 4.32Å; V84-I102 HydrophobicContact CG1-CG2 3.94Å; V84-I102 HydrophobicContact CG2-CG2 4.06Å; V84-V104 HydrophobicContact CG1-CG2 3.99Å; V84-V104 HydrophobicContact CG2-CG1 4.44Å; V84-V104 HydrophobicContact CG2-CG2 3.96Å
85	A	95	Very high	94.7	Very high	55 Å²	55	60.5 Å²	60.5	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-40.1	178.8	0	0	0	0	0	112.2	C81 R82 K89	C81-A85 PolarHBondContact O-N 2.91Å; C81-A85 VanDerWaalsContact O-N 3.12Å; R82-A85 PolarHBondContact O-N 2.96Å; A85-K89 WeakPolarHBondContact O-CB 2.86Å; A85-K89 PolarHBondContact O-N 3.02Å
86	E	94.4	Very high	94.5	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-44.9	175.6	-170.3	-178	-168.7	0	0	111.8	I21 R82 L83 V84 K89 R90	I21-E86 HydrophobicContact CD1-CB 3.95Å; I21-E86 HydrophobicContact CD1-CG 4.22Å; I21-E86 WeakPolarHBondContact CD1-OE2 3.26Å; R82-E86 PolarHBondContact O-N 3.38Å; R82-E86 VanDerWaalsContact O-N 3.13Å; L83-E86 PolarHBondContact O-N 2.96Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.1Å; E86-K89 PolarHBondContact O-N 3.28Å; E86-R90 WeakPolarHBondContact O-CB 3.24Å; E86-R90 PolarHBondContact O-N 3.01Å
87	L	95.3	Very high	94.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-44.3	178.2	178.3	62.3	0	0	0	111.6	P58 T64 A76 L83 V84 R90 V91 L100 I102	P58-L87 HydrophobicContact CB-CD2 3.83Å; P58-L87 HydrophobicContact CG-CD2 3.85Å; T64-L87 HydrophobicContact CG2-CD1 3.96Å; T64-L87 HydrophobicContact CG2-CD2 4.44Å; A76-L87 HydrophobicContact CB-CD2 4.22Å; L83-L87 VanDerWaalsContact O-CB 3.3Å; L83-L87 WeakPolarHBondContact O-CB 3.48Å; L83-L87 PolarHBondContact O-N 2.82Å; V84-L87 PolarHBondContact O-N 2.9Å; L87-R90 WeakPolarHBondContact O-CB 3.21Å; L87-R90 PolarHBondContact O-N 2.8Å; L87-V91 PolarHBondContact O-N 2.76Å; L87-L100 HydrophobicContact CD1-CD2 4.47Å; L87-L100 HydrophobicContact CD2-CD2 4.26Å; L87-L100 HydrophobicContact CG-CD2 4.04Å; L87-I102 HydrophobicContact CD2-CD1 3.96Å; L87-I102 HydrophobicContact CD2-CG1 4.25Å; L87-I102 HydrophobicContact CG-CD1 4.22Å
88	Q	95.6	Very high	94.3	Very high	106 Å²	106	73.4 Å²	73.4	50%	0.495	39%	0.385	S	S	.	.	H	α-helix	trans	-58.6	-49.4	175.1	-75.8	178.5	-25	0	0	111	V84 R90 V91 Q92 I102	V84-Q88 HydrophobicContact CG1-CG 4.46Å; V84-Q88 WeakPolarHBondContact O-CB 3.41Å; V84-Q88 WeakPolarHBondContact O-CG 3.45Å; V84-Q88 PolarHBondContact O-N 3.05Å; Q88-R90 PolarHBondContact O-N 2.99Å; Q88-V91 PolarHBondContact O-N 3.45Å; Q88-Q92 WeakPolarHBondContact O-CB 3.46Å; Q88-Q92 PolarHBondContact O-N 2.83Å; Q88-I102 HydrophobicContact CG-CD1 3.42Å; Q88-I102 VanDerWaalsContact CG-CD1 3.42Å
89	K	95.3	Very high	94.4	Very high	157 Å²	157	76 Å²	76	68%	0.683	40%	0.396	S	S	*	.	H	α-helix	trans	-59.3	-37.4	177	-174.9	177	-179.7	177.8	0	112	A85 E86 V91 Q92	A85-K89 WeakPolarHBondContact O-CB 2.86Å; A85-K89 PolarHBondContact O-N 3.02Å; E86-K89 PolarHBondContact O-N 3.28Å; K89-V91 VanDerWaalsContact C-N 3.35Å; K89-V91 PolarHBondContact O-N 2.86Å; K89-Q92 WeakPolarHBondContact O-CB 3.5Å; K89-Q92 PolarHBondContact O-N 2.79Å
90	R	94.6	Very high	94.7	Very high	107 Å²	107	71.8 Å²	71.8	40%	0.404	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-34.4	-178.8	-174.1	171.8	-175.3	161.5	1.3	113.3	T60 N62 V65 E86 L87 Q88	T60-R90 WeakPolarHBondContact O-CD 3.34Å; T60-R90 PolarHBondContact O-NH1 3.44Å; N62-R90 PolarHBondContact OD1-NH1 2.83Å; N62-R90 PolarHBondContact OD1-NH2 2.99Å; V65-R90 HydrophobicContact CG1-CG 4.32Å; E86-R90 WeakPolarHBondContact O-CB 3.24Å; E86-R90 PolarHBondContact O-N 3.01Å; L87-R90 WeakPolarHBondContact O-CB 3.21Å; L87-R90 PolarHBondContact O-N 2.8Å; Q88-R90 PolarHBondContact O-N 2.99Å
91	V	94.9	Very high	94.9	Very high	5 Å²	5	74 Å²	74	3%	0.03	38%	0.384	C	S	.	.	H	α-helix	trans	-98	-5.8	177.8	-57.4	0	0	0	0	113.1	V65 L68 L87 Q88 K89 T94 L100	V65-V91 HydrophobicContact CG1-CG1 4.37Å; L68-V91 HydrophobicContact CD1-CG1 3.9Å; L87-V91 PolarHBondContact O-N 2.76Å; Q88-V91 PolarHBondContact O-N 3.45Å; K89-V91 VanDerWaalsContact C-N 3.35Å; K89-V91 PolarHBondContact O-N 2.86Å; V91-T94 WeakPolarHBondContact O-CB 3.47Å; V91-T94 PolarHBondContact O-N 3.38Å; V91-T94 PolarHBondContact O-OG1 2.87Å; V91-L100 HydrophobicContact CB-CD2 4.47Å; V91-L100 HydrophobicContact CG1-CD2 4.15Å; V91-L100 HydrophobicContact CG2-CD2 3.6Å
92	Q	94.8	Very high	95.2	Very high	112 Å²	112	71.7 Å²	71.7	52%	0.523	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	138.4	-177.8	-166.2	179	5	0	0	111.1	Q88 K89 T94	Q88-Q92 WeakPolarHBondContact O-CB 3.46Å; Q88-Q92 PolarHBondContact O-N 2.83Å; K89-Q92 WeakPolarHBondContact O-CB 3.5Å; K89-Q92 PolarHBondContact O-N 2.79Å; Q92-T94 PolarHBondContact O-N 2.83Å
93	C	93.6	Very high	95.3	Very high	118 Å²	118	68 Å²	68	80%	0.797	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	21.2	-178.3	-52.9	0	0	0	0	114.1
94	T	94.9	Very high	95.5	Very high	49 Å²	49	71.8 Å²	71.8	30%	0.301	38%	0.377	S	S	.	.	S	Bend	trans	-108.7	154.4	171.2	74.6	0	0	0	0	110.4	V91 Q92 L96 Q97	V91-T94 WeakPolarHBondContact O-CB 3.47Å; V91-T94 PolarHBondContact O-N 3.38Å; V91-T94 PolarHBondContact O-OG1 2.87Å; Q92-T94 PolarHBondContact O-N 2.83Å; T94-L96 PolarHBondContact O-N 2.87Å; T94-L96 WeakPolarHBondContact OG1-CB 3.3Å; T94-L96 PolarHBondContact OG1-N 2.87Å; T94-Q97 WeakPolarHBondContact O-CB 3.39Å; T94-Q97 PolarHBondContact O-N 2.82Å; T94-Q97 VanDerWaalsContact O-N 3.08Å
95	P	93.6	Very high	95.4	Very high	121 Å²	121	72.3 Å²	72.3	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19	172.4	-23.7	34	0	0	0	113.7	Q97	P95-Q97 VanDerWaalsContact C-N 3.33Å
96	L	93.5	Very high	95.4	Very high	38 Å²	38	72.1 Å²	72.1	20%	0.199	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.5	-179.9	-53.5	179.7	0	0	0	112.7	L68 E69 T94 N98 K99 L100	L68-L96 HydrophobicContact CB-CB 4.07Å; L68-L96 HydrophobicContact CB-CD1 4.16Å; L68-L96 HydrophobicContact CB-CD2 4.11Å; L68-L96 HydrophobicContact CB-CG 4.34Å; L68-L96 HydrophobicContact CD1-CB 4.12Å; E69-L96 HydrophobicContact CG-CD1 4.36Å; E69-L96 HydrophobicContact CG-CD2 4.48Å; T94-L96 PolarHBondContact O-N 2.87Å; T94-L96 WeakPolarHBondContact OG1-CB 3.3Å; T94-L96 PolarHBondContact OG1-N 2.87Å; L96-N98 VanDerWaalsContact C-N 3.27Å; L96-N98 PolarHBondContact O-N 3.07Å; L96-K99 WeakPolarHBondContact O-CB 3.22Å; L96-K99 PolarHBondContact O-N 2.8Å; L96-L100 PolarHBondContact O-N 2.79Å
97	Q	94.6	Very high	95.4	Very high	87 Å²	87	69.3 Å²	69.3	41%	0.407	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-54	-43.6	-175.7	-174.6	175	-17.6	0	0	112.2	T94 P95 K99 L100	T94-Q97 WeakPolarHBondContact O-CB 3.39Å; T94-Q97 PolarHBondContact O-N 2.82Å; T94-Q97 VanDerWaalsContact O-N 3.08Å; P95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-K99 PolarHBondContact O-N 2.83Å; Q97-L100 PolarHBondContact O-N 2.86Å; Q97-L100 VanDerWaalsContact O-N 3.16Å
98	N	95.3	Very high	95.4	Very high	152 Å²	152	71.7 Å²	71.7	81%	0.813	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-70.3	-16.9	-176.9	-63.9	-19.1	0	0	0	113.4	L96	L96-N98 VanDerWaalsContact C-N 3.27Å; L96-N98 PolarHBondContact O-N 3.07Å
99	K	97.4	Very high	95.4	Very high	72 Å²	72	74.8 Å²	74.8	31%	0.313	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-89.8	-13.4	176.9	-63	-174.7	177	-170.5	0	112.7	L68 A71 K72 K73 V74 L96 Q97	L68-K99 HydrophobicContact CD2-CB 3.6Å; L68-K99 PolarHBondContact O-NZ 2.78Å; A71-K99 PolarHBondContact O-NZ 2.81Å; A71-K99 VanDerWaalsContact O-NZ 3.09Å; K72-K99 WeakPolarHBondContact O-CG 3.31Å; K73-K99 WeakPolarHBondContact CA-O 3.15Å; K73-K99 WeakPolarHBondContact CG-O 3.38Å; V74-K99 PolarHBondContact N-O 2.86Å; L96-K99 WeakPolarHBondContact O-CB 3.22Å; L96-K99 PolarHBondContact O-N 2.8Å; Q97-K99 PolarHBondContact O-N 2.83Å
100	L	98.2	Very high	95.4	Very high	27 Å²	27	69 Å²	69	14%	0.141	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.2	-178	-176.1	63.4	0	0	0	110.9	T64 L68 V74 A76 L87 V91 L96 Q97 I102	T64-L100 HydrophobicContact CG2-CD1 3.67Å; T64-L100 HydrophobicContact CG2-CD2 4.5Å; L68-L100 HydrophobicContact CD1-CB 4.18Å; L68-L100 HydrophobicContact CD1-CD1 4.42Å; L68-L100 HydrophobicContact CD2-CB 3.91Å; L68-L100 HydrophobicContact CD2-CD1 4.43Å; V74-L100 HydrophobicContact CB-CD1 4.3Å; V74-L100 HydrophobicContact CG1-CD1 4.31Å; A76-L100 HydrophobicContact CB-CD1 4.04Å; L87-L100 HydrophobicContact CD1-CD2 4.47Å; L87-L100 HydrophobicContact CD2-CD2 4.26Å; L87-L100 HydrophobicContact CG-CD2 4.04Å; V91-L100 HydrophobicContact CB-CD2 4.47Å; V91-L100 HydrophobicContact CG1-CD2 4.15Å; V91-L100 HydrophobicContact CG2-CD2 3.6Å; L96-L100 PolarHBondContact O-N 2.79Å; Q97-L100 PolarHBondContact O-N 2.86Å; Q97-L100 VanDerWaalsContact O-N 3.16Å; L100-I102 HydrophobicContact CD1-CG1 4.36Å; L100-I102 HydrophobicContact CD2-CD1 3.94Å; L100-I102 HydrophobicContact CD2-CG1 4.02Å; L100-I102 HydrophobicContact CG-CD1 4.42Å; L100-I102 HydrophobicContact CG-CG1 3.97Å
101	Q	97.9	Very high	95.3	Very high	70 Å²	70	71 Å²	71	33%	0.327	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.5	164.9	179.1	177.4	-0.5	0	0	108.4	V74 V75 A76	V74-Q101 PolarHBondContact O-N 3.16Å; V75-Q101 CarbonylContact C-O 3.52Å; V75-Q101 WeakPolarHBondContact CA-O 3.18Å; V75-Q101 HydrophobicContact CG2-CB 4.4Å; A76-Q101 PolarHBondContact N-O 3.47Å
102	I	97.6	Very high	95.4	Very high	33 Å²	33	71.7 Å²	71.7	17%	0.169	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.2	177.4	-56.4	169.6	0	0	0	109.1	A76 V84 L87 Q88 L100 V104	A76-I102 HydrophobicContact CB-CG1 4.47Å; A76-I102 CarbonylContact O-C 3.54Å; A76-I102 WeakPolarHBondContact O-CA 3.3Å; V84-I102 HydrophobicContact CG1-CD1 4.32Å; V84-I102 HydrophobicContact CG1-CG2 3.94Å; V84-I102 HydrophobicContact CG2-CG2 4.06Å; L87-I102 HydrophobicContact CD2-CD1 3.96Å; L87-I102 HydrophobicContact CD2-CG1 4.25Å; L87-I102 HydrophobicContact CG-CD1 4.22Å; Q88-I102 HydrophobicContact CG-CD1 3.42Å; Q88-I102 VanDerWaalsContact CG-CD1 3.42Å; L100-I102 HydrophobicContact CD1-CG1 4.36Å; L100-I102 HydrophobicContact CD2-CD1 3.94Å; L100-I102 HydrophobicContact CD2-CG1 4.02Å; L100-I102 HydrophobicContact CG-CD1 4.42Å; L100-I102 HydrophobicContact CG-CG1 3.97Å; I102-V104 HydrophobicContact CG2-CG2 4.21Å
103	L	97.1	Very high	95.5	Very high	38 Å²	38	68.5 Å²	68.5	20%	0.199	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.5	171.5	-60.4	-178.4	0	0	0	108	V75 A76 C77 E78 T110 P113	V75-L103 HydrophobicContact CG1-CD1 3.59Å; V75-L103 HydrophobicContact CG1-CG 3.8Å; A76-L103 PolarHBondContact O-N 3.1Å; C77-L103 WeakPolarHBondContact CA-O 3.27Å; E78-L103 PolarHBondContact N-O 3.05Å; L103-T110 HydrophobicContact CD1-CG2 4.47Å; L103-P113 HydrophobicContact CD1-CG 4.31Å
104	V	96.8	Very high	95.7	Very high	83 Å²	83	67.4 Å²	67.4	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.7	-179.6	-172.2	0	0	0	0	109.1	E78 V84 I102	E78-V104 WeakPolarHBondContact O-CA 3.29Å; V84-V104 HydrophobicContact CG1-CG2 3.99Å; V84-V104 HydrophobicContact CG2-CG1 4.44Å; V84-V104 HydrophobicContact CG2-CG2 3.96Å; I102-V104 HydrophobicContact CG2-CG2 4.21Å
105	G	93.4	Very high	95.9	Very high	20 Å²	20	65.1 Å²	65.1	21%	0.206	34%	0.344	C	S	.	.	S	Bend	trans	148.9	-176.6	176.3	0	0	0	0	0	114.9	E78 V107	E78-G105 PolarHBondContact O-N 2.8Å; G105-V107 PolarHBondContact O-N 2.93Å
106	D	94.1	Very high	96.1	Very high	52 Å²	52	61.1 Å²	61.1	28%	0.278	32%	0.316	S	S	.	.			trans	-72.9	112.2	174.8	-178.2	-5	0	0	0	109.9	L79 L108 K109 T110	L79-D106 HydrophobicContact CD1-CB 4.35Å; D106-L108 PolarHBondContact O-N 3.03Å; D106-L108 VanDerWaalsContact O-N 3.16Å; D106-L108 WeakPolarHBondContact OD1-CB 3.46Å; D106-L108 PolarHBondContact OD1-N 2.56Å; D106-K109 HydrophobicContact CB-CB 4.37Å; D106-K109 HydrophobicContact CB-CD 4.25Å; D106-K109 HydrophobicContact CB-CG 4.37Å; D106-K109 PolarHBondContact O-N 3.16Å; D106-K109 WeakPolarHBondContact OD2-CE 3.44Å; D106-K109 IonicContact OD2-NZ 2.69Å; D106-T110 WeakPolarHBondContact O-CB 3.43Å; D106-T110 PolarHBondContact O-N 2.89Å; D106-T110 PolarHBondContact O-OG1 3.21Å
107	V	95	Very high	96.3	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.048	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.4	179.8	71.7	0	0	0	0	112.6	V56 C77 G105 K109 L112 I126 F130 K133	V56-V107 HydrophobicContact CG1-CB 3.98Å; V56-V107 HydrophobicContact CG1-CG1 3.86Å; V56-V107 HydrophobicContact CG1-CG2 3.79Å; V56-V107 HydrophobicContact CG2-CG2 4.06Å; C77-V107 HydrophobicContact CB-CB 4.36Å; C77-V107 HydrophobicContact CB-CG2 4.06Å; G105-V107 PolarHBondContact O-N 2.93Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 3.22Å; V107-L112 HydrophobicContact CG2-CD2 3.88Å; V107-I126 HydrophobicContact CG1-CD1 4.19Å; V107-F130 HydrophobicContact CG1-CD2 4.04Å; V107-F130 HydrophobicContact CG1-CE2 4.3Å; V107-F130 HydrophobicContact CG2-CD2 4.28Å; V107-F130 HydrophobicContact CG2-CE2 3.8Å; V107-K133 WeakPolarHBondContact O-CD 3.41Å; V107-K133 WeakPolarHBondContact O-CE 3.44Å
108	L	95.3	Very high	96.5	Very high	50 Å²	50	55.1 Å²	55.1	26%	0.262	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.5	179.1	-62.1	-178.3	0	0	0	111.6	D106 I126 P129 F130 K133	D106-L108 PolarHBondContact O-N 3.03Å; D106-L108 VanDerWaalsContact O-N 3.16Å; D106-L108 WeakPolarHBondContact OD1-CB 3.46Å; D106-L108 PolarHBondContact OD1-N 2.56Å; L108-I126 HydrophobicContact CD1-CB 4.11Å; L108-I126 HydrophobicContact CD1-CG2 3.99Å; L108-P129 HydrophobicContact CD1-CB 4.1Å; L108-P129 HydrophobicContact CD1-CG 3.79Å; L108-P129 HydrophobicContact CD2-CB 4.04Å; L108-P129 HydrophobicContact CD2-CG 4.19Å; L108-F130 HydrophobicContact CD2-CB 3.98Å; L108-F130 HydrophobicContact CD2-CD2 4.43Å; L108-K133 PolarHBondContact O-NZ 2.95Å
109	K	95.5	Very high	96.6	Very high	171 Å²	171	48 Å²	48	74%	0.743	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-19.7	-179	-61.8	177.1	-174.2	174.4	0	113.4	D106 V107	D106-K109 HydrophobicContact CB-CB 4.37Å; D106-K109 HydrophobicContact CB-CD 4.25Å; D106-K109 HydrophobicContact CB-CG 4.37Å; D106-K109 PolarHBondContact O-N 3.16Å; D106-K109 WeakPolarHBondContact OD2-CE 3.44Å; D106-K109 IonicContact OD2-NZ 2.69Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 3.22Å
110	T	94.2	Very high	96.5	Very high	36 Å²	36	44.7 Å²	44.7	22%	0.221	24%	0.235	C	C	.	.	S	Bend	trans	-76.1	139.9	-178.1	-56.1	0	0	0	0	110.8	L103 D106 L112 K133	L103-T110 HydrophobicContact CD1-CG2 4.47Å; D106-T110 WeakPolarHBondContact O-CB 3.43Å; D106-T110 PolarHBondContact O-N 2.89Å; D106-T110 PolarHBondContact O-OG1 3.21Å; T110-L112 PolarHBondContact O-N 3.32Å; T110-K133 VanDerWaalsContact O-CE 3.24Å; T110-K133 WeakPolarHBondContact O-CE 3.24Å; T110-K133 PolarHBondContact O-NZ 3.49Å
111	D	94.4	Very high	96.2	Very high	148 Å²	148	44.8 Å²	44.8	79%	0.791	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-74	118.4	169.2	-68.1	-36	0	0	0	109.8
112	L	96.3	Very high	95.4	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.11	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-80.7	129.1	-175.5	-62.2	177.1	0	0	0	109.7	L54 V107 T110 F115 K133 L134 H137	L54-L112 HydrophobicContact CD2-CD1 4.22Å; L54-L112 HydrophobicContact CD2-CD2 4.14Å; V107-L112 HydrophobicContact CG2-CD2 3.88Å; T110-L112 PolarHBondContact O-N 3.32Å; L112-F115 HydrophobicContact CB-CE1 4.32Å; L112-F115 HydrophobicContact CD1-CE1 4.46Å; L112-K133 HydrophobicContact CD1-CD 4.19Å; L112-K133 HydrophobicContact CD1-CG 4.29Å; L112-L134 HydrophobicContact CD1-CD2 4.45Å; L112-H137 PolarHBondContact O-NE2 2.82Å; L112-H137 VanDerWaalsContact O-NE2 3.14Å
113	P	97	Very high	94.9	Very high	45 Å²	45	42 Å²	42	29%	0.292	23%	0.225	S	C	.	.			trans	-67.4	177	174.7	30.8	-34.8	0	0	0	110.7	V75 L103 F115 H137	V75-P113 HydrophobicContact CG1-CG 4Å; V75-P113 HydrophobicContact CG2-CG 4.36Å; L103-P113 HydrophobicContact CD1-CG 4.31Å; P113-F115 VanDerWaalsContact O-CD1 3.22Å; P113-F115 WeakPolarHBondContact O-CD1 3.38Å; P113-H137 PolarHBondContact O-CE1 3Å; P113-H137 PolarHBondContact O-NE2 3Å
114	F	97.8	Very high	94.3	Very high	95 Å²	95	41.8 Å²	41.8	42%	0.417	22%	0.223	S	C	.	.			trans	-61.4	138.7	166.5	172.9	-95.1	0	0	0	111	D116 P139	F114-D116 WeakPolarHBondContact CZ-OD1 3.41Å; F114-P139 HydrophobicContact CD2-CB 4.08Å; F114-P139 HydrophobicContact CD2-CG 4.1Å; F114-P139 HydrophobicContact CE2-CB 4.4Å
115	F	98.4	Very high	93.9	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.226	C	C	.	.			trans	-149.3	149.2	170.3	57.8	-89.1	0	0	0	110.1	V52 L54 L112 P113 C118 L134 H137 F141	V52-F115 HydrophobicContact CG1-CB 4.39Å; L54-F115 HydrophobicContact CB-CB 3.82Å; L54-F115 HydrophobicContact CB-CD1 3.82Å; L54-F115 HydrophobicContact CB-CD2 3.91Å; L54-F115 HydrophobicContact CB-CE1 4.43Å; L54-F115 HydrophobicContact CB-CE2 4.47Å; L54-F115 HydrophobicContact CB-CG 3.56Å; L54-F115 HydrophobicContact CD2-CD1 3.71Å; L54-F115 HydrophobicContact CD2-CD2 4.48Å; L54-F115 HydrophobicContact CD2-CE1 3.53Å; L54-F115 HydrophobicContact CD2-CE2 4.3Å; L54-F115 HydrophobicContact CD2-CG 4.23Å; L54-F115 HydrophobicContact CD2-CZ 3.86Å; L54-F115 HydrophobicContact CG-CD1 4.3Å; L54-F115 HydrophobicContact CG-CG 4.5Å; L112-F115 HydrophobicContact CB-CE1 4.32Å; L112-F115 HydrophobicContact CD1-CE1 4.46Å; P113-F115 VanDerWaalsContact O-CD1 3.22Å; P113-F115 WeakPolarHBondContact O-CD1 3.38Å; F115-C118 HydrophobicContact CD2-CB 4.06Å; F115-C118 HydrophobicContact CE2-CB 3.69Å; F115-L134 HydrophobicContact CE2-CD2 4.25Å; F115-L134 HydrophobicContact CZ-CD2 3.66Å; F115-H137 AromaticContact CD1-CE1 3.99Å; F115-H137 AromaticContact CE1-CE1 3.42Å; F115-H137 VanDerWaalsContact CE1-CE1 3.42Å; F115-H137 WeakPolarHBondContact CE1-CE1 3.37Å; F115-H137 AromaticContact CE1-ND1 3.59Å; F115-H137 AromaticContact CE1-NE2 3.89Å; F115-H137 AromaticContact CZ-ND1 3.76Å; F115-F141 HydrophobicContact CD2-CB 3.66Å; F115-F141 HydrophobicContact CD2-CG 4.18Å; F115-F141 HydrophobicContact CE2-CB 3.39Å; F115-F141 AromaticContact CE2-CD1 3.51Å; F115-F141 HydrophobicContact CE2-CD1 3.51Å; F115-F141 HydrophobicContact CE2-CD2 4.15Å; F115-F141 HydrophobicContact CE2-CE1 4.29Å; F115-F141 AromaticContact CE2-CG 3.42Å; F115-F141 HydrophobicContact CE2-CG 3.42Å; F115-F141 VanDerWaalsContact CE2-CG 3.42Å; F115-F141 HydrophobicContact CZ-CB 4.2Å; F115-F141 AromaticContact CZ-CD1 3.68Å; F115-F141 HydrophobicContact CZ-CD1 3.68Å; F115-F141 HydrophobicContact CZ-CE1 4.31Å; F115-F141 HydrophobicContact CZ-CG 4.09Å; F115-F141 VanDerWaalsContact O-CB 3.31Å; F115-F141 WeakPolarHBondContact O-CB 3.35Å
116	D	98.4	Very high	93.8	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	23%	0.227	C	C	.	.	S	Bend	trans	-85.4	-39.2	176.4	-63.5	-79.5	0	0	0	111.3	D51 V52 F114 R142	D51-D116 WeakPolarHBondContact CA-OD2 3.32Å; D51-D116 HydrophobicContact CB-CB 3.95Å; V52-D116 PolarHBondContact N-OD2 3.32Å; V52-D116 PolarHBondContact O-N 2.76Å; F114-D116 WeakPolarHBondContact CZ-OD1 3.41Å; D116-R142 VanDerWaalsContact O-CB 3.31Å; D116-R142 WeakPolarHBondContact O-CB 3.45Å; D116-R142 PolarHBondContact O-N 2.7Å
117	V	98.5	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.7	-176.4	179.7	0	0	0	0	109.9	A45 L47 V52 V53 L54 V119 R142 C143	A45-V117 HydrophobicContact CB-CG1 4.16Å; L47-V117 HydrophobicContact CD2-CB 4.01Å; L47-V117 HydrophobicContact CD2-CG1 3.88Å; L47-V117 HydrophobicContact CD2-CG2 4.15Å; V52-V117 PolarHBondContact O-N 2.86Å; V53-V117 CarbonylContact C-O 3.59Å; V53-V117 VanDerWaalsContact CA-O 3.29Å; V53-V117 WeakPolarHBondContact CA-O 2.97Å; L54-V117 PolarHBondContact N-O 3.46Å; V117-V119 HydrophobicContact CG1-CG2 4.32Å; V117-R142 VanDerWaalsContact CG2-NH2 3.31Å; V117-C143 VanDerWaalsContact CA-O 3.3Å; V117-C143 WeakPolarHBondContact CA-O 3.29Å
118	C	98.4	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.2	170.7	-179.7	0	0	0	0	110.6	L54 F115 L134 C143 A144 V145	L54-C118 HydrophobicContact CB-CB 4.32Å; L54-C118 CarbonylContact O-C 3.39Å; L54-C118 VanDerWaalsContact O-CA 3.26Å; L54-C118 WeakPolarHBondContact O-CA 3.24Å; F115-C118 HydrophobicContact CD2-CB 4.06Å; F115-C118 HydrophobicContact CE2-CB 3.69Å; C118-L134 HydrophobicContact CB-CD2 4.49Å; C118-C143 PolarHBondContact N-O 3Å; C118-C143 VanDerWaalsContact N-O 3.07Å; C118-A144 HydrophobicContact CB-CB 3.91Å; C118-A144 CarbonylContact O-C 3.47Å; C118-A144 VanDerWaalsContact O-CA 3.24Å; C118-A144 WeakPolarHBondContact O-CA 3.07Å; C118-V145 PolarHBondContact O-N 3.09Å
119	V	97.8	Very high	93.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.4	169.3	-171.5	0	0	0	0	108.3	I41 A45 V53 L54 E55 V56 M63 L67 V117 V145	I41-V119 HydrophobicContact CG2-CG1 3.54Å; A45-V119 HydrophobicContact CB-CG2 4.2Å; V53-V119 HydrophobicContact CG1-CG2 4.3Å; L54-V119 PolarHBondContact O-N 3.45Å; E55-V119 VanDerWaalsContact CA-O 3.25Å; E55-V119 WeakPolarHBondContact CA-O 3.26Å; V56-V119 PolarHBondContact N-O 3.43Å; M63-V119 HydrophobicContact SD-CB 4.36Å; M63-V119 HydrophobicContact SD-CG1 3.27Å; M63-V119 WeakPolarHBondContact SD-CG1 3.4Å; L67-V119 HydrophobicContact CD2-CG2 4.3Å; V117-V119 HydrophobicContact CG1-CG2 4.32Å; V119-V145 WeakPolarHBondContact CA-O 3.47Å
120	A	94.8	Very high	93.8	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	140.4	-178.3	0	0	0	0	0	113.8	V56 L122 F130 V145 L146 M147	V56-A120 HydrophobicContact CB-CB 3.93Å; V56-A120 WeakPolarHBondContact O-CA 3.36Å; A120-L122 HydrophobicContact CB-CD1 4.35Å; A120-L122 HydrophobicContact CB-CD2 3.86Å; A120-L122 HydrophobicContact CB-CG 3.76Å; A120-F130 HydrophobicContact CB-CE1 4.33Å; A120-V145 PolarHBondContact N-O 3.22Å; A120-L146 HydrophobicContact CB-CD2 3.58Å; A120-M147 PolarHBondContact O-N 3.44Å
121	N	90.5	Very high	93.9	Very high	29 Å²	29	35 Å²	35	16%	0.155	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	79.5	164.7	175.1	23.4	0	0	0	108.1	H30 V56 M147	H30-N121 PolarHBondContact O-ND2 2.92Å; V56-N121 PolarHBondContact O-N 3.37Å; N121-M147 HydrophobicContact CB-CE 3.73Å; N121-M147 WeakPolarHBondContact OD1-CE 3.47Å
122	L	82.6	Confident	93.9	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	16%	0.159	C	C	.	.			trans	-83	149	-172.6	-58.2	173.9	0	0	0	112	V56 A120 Y124 I126 F130 F148	V56-L122 HydrophobicContact CB-CD2 3.72Å; V56-L122 HydrophobicContact CG1-CD2 3.28Å; A120-L122 HydrophobicContact CB-CD1 4.35Å; A120-L122 HydrophobicContact CB-CD2 3.86Å; A120-L122 HydrophobicContact CB-CG 3.76Å; L122-Y124 PolarHBondContact O-N 3.2Å; L122-I126 HydrophobicContact CB-CD1 4.48Å; L122-I126 HydrophobicContact CB-CG1 4.26Å; L122-I126 HydrophobicContact CD2-CD1 4.16Å; L122-F130 HydrophobicContact CD1-CB 3.8Å; L122-F130 HydrophobicContact CD1-CD1 3.08Å; L122-F130 HydrophobicContact CD1-CD2 4.39Å; L122-F130 HydrophobicContact CD1-CE1 3.62Å; L122-F130 HydrophobicContact CD1-CG 3.5Å; L122-F130 HydrophobicContact CD1-CZ 4.49Å; L122-F130 HydrophobicContact CD2-CD1 4.46Å; L122-F130 HydrophobicContact CD2-CE1 4.43Å; L122-F130 HydrophobicContact CG-CD1 4.29Å; L122-F130 HydrophobicContact CG-CE1 4.46Å; L122-F148 HydrophobicContact CD1-CE1 4.46Å
123	P	85.7	Confident	93.9	Very high	38 Å²	38	31.4 Å²	31.4	25%	0.247	16%	0.164	C	C	.	.			trans	-53.6	137.5	155.6	-22.3	33.4	0	0	0	110.7	Q125 I126	P123-Q125 PolarHBondContact O-N 3.42Å; P123-I126 HydrophobicContact CB-CG1 4.42Å; P123-I126 VanDerWaalsContact O-CG1 3.29Å; P123-I126 WeakPolarHBondContact O-CG1 3.34Å; P123-I126 PolarHBondContact O-N 3.16Å
124	Y	86.1	Confident	93.9	Very high	35 Å²	35	29.4 Å²	29.4	14%	0.137	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-66	-24.8	-172.5	-56.3	-41.9	0	0	0	113.6	L122 I126 S127 Q149 P193 V195 S197	L122-Y124 PolarHBondContact O-N 3.2Å; Y124-I126 VanDerWaalsContact C-N 3.26Å; Y124-I126 PolarHBondContact O-N 3.11Å; Y124-S127 WeakPolarHBondContact CA-OG 3.36Å; Y124-S127 WeakPolarHBondContact O-CB 3.17Å; Y124-S127 PolarHBondContact O-N 3.44Å; Y124-S127 PolarHBondContact O-OG 2.93Å; Y124-Q149 HydrophobicContact CD1-CB 4.44Å; Y124-Q149 HydrophobicContact CD1-CG 3.4Å; Y124-Q149 VanDerWaalsContact CD1-CG 3.4Å; Y124-Q149 VanDerWaalsContact CD2-CD 3.45Å; Y124-Q149 HydrophobicContact CD2-CG 3.26Å; Y124-Q149 HydrophobicContact CE1-CB 4.43Å; Y124-Q149 HydrophobicContact CE1-CG 3.59Å; Y124-Q149 VanDerWaalsContact CE1-N 3.35Å; Y124-Q149 HydrophobicContact CE2-CG 3.43Å; Y124-Q149 VanDerWaalsContact CE2-CG 3.43Å; Y124-Q149 HydrophobicContact CG-CG 3.19Å; Y124-P193 HydrophobicContact CE2-CB 4.26Å; Y124-V195 HydrophobicContact CE2-CG2 4.15Å; Y124-S197 PolarHBondContact OH-OG 3.36Å
125	Q	88.1	Confident	93.7	Very high	122 Å²	122	25.1 Å²	25.1	57%	0.57	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-63.8	-29.9	179.2	-60.3	87.4	-21.6	0	0	112.7	P123	P123-Q125 PolarHBondContact O-N 3.42Å
126	I	91.4	Very high	93.5	Very high	44 Å²	44	29.8 Å²	29.8	23%	0.226	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-102.8	4.6	-177.6	65.5	165	0	0	0	113.3	V107 L108 L122 P123 Y124 S128 P129 F130	V107-I126 HydrophobicContact CG1-CD1 4.19Å; L108-I126 HydrophobicContact CD1-CB 4.11Å; L108-I126 HydrophobicContact CD1-CG2 3.99Å; L122-I126 HydrophobicContact CB-CD1 4.48Å; L122-I126 HydrophobicContact CB-CG1 4.26Å; L122-I126 HydrophobicContact CD2-CD1 4.16Å; P123-I126 HydrophobicContact CB-CG1 4.42Å; P123-I126 VanDerWaalsContact O-CG1 3.29Å; P123-I126 WeakPolarHBondContact O-CG1 3.34Å; P123-I126 PolarHBondContact O-N 3.16Å; Y124-I126 VanDerWaalsContact C-N 3.26Å; Y124-I126 PolarHBondContact O-N 3.11Å; I126-S128 PolarHBondContact O-N 3.26Å; I126-P129 WeakPolarHBondContact O-CD 3.25Å; I126-P129 WeakPolarHBondContact O-CG 3.43Å; I126-F130 WeakPolarHBondContact O-CB 3.4Å; I126-F130 PolarHBondContact O-N 3.3Å
127	S	93.2	Very high	93.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-48.2	-173.5	-65.9	0	0	0	0	112.8	Y124 V131 F148	Y124-S127 WeakPolarHBondContact CA-OG 3.36Å; Y124-S127 WeakPolarHBondContact O-CB 3.17Å; Y124-S127 PolarHBondContact O-N 3.44Å; Y124-S127 PolarHBondContact O-OG 2.93Å; S127-V131 VanDerWaalsContact O-CG2 3.31Å; S127-V131 WeakPolarHBondContact O-CG2 3.46Å; S127-V131 PolarHBondContact O-N 3.3Å; S127-F148 WeakPolarHBondContact OG-CD1 3.25Å
128	S	93.6	Very high	93.2	Very high	47 Å²	47	34.7 Å²	34.7	33%	0.329	17%	0.174	S	C	.	.	H	α-helix	trans	-63.8	-54.3	179.6	-166.1	0	0	0	0	113.7	I126 F130 V131 F132	I126-S128 PolarHBondContact O-N 3.26Å; S128-F130 VanDerWaalsContact C-N 3.25Å; S128-F130 PolarHBondContact O-N 3.23Å; S128-V131 PolarHBondContact O-N 2.98Å; S128-F132 VanDerWaalsContact O-CD2 3.3Å; S128-F132 WeakPolarHBondContact O-CD2 3.41Å; S128-F132 PolarHBondContact O-N 3.29Å
129	P	95.3	Very high	93.1	Very high	61 Å²	61	38.4 Å²	38.4	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-63.5	-32.9	179.9	24.2	-34	0	0	0	112.2	L108 I126 F132 K133	L108-P129 HydrophobicContact CD1-CB 4.1Å; L108-P129 HydrophobicContact CD1-CG 3.79Å; L108-P129 HydrophobicContact CD2-CB 4.04Å; L108-P129 HydrophobicContact CD2-CG 4.19Å; I126-P129 WeakPolarHBondContact O-CD 3.25Å; I126-P129 WeakPolarHBondContact O-CG 3.43Å; P129-F132 PolarHBondContact O-N 2.84Å; P129-K133 WeakPolarHBondContact O-CB 3.45Å; P129-K133 PolarHBondContact O-N 3.16Å
130	F	96.3	Very high	93.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-41.4	177.2	-176.7	-101.7	0	0	0	113	V56 V107 L108 A120 L122 I126 S128 F132 K133 L134 L146	V56-F130 HydrophobicContact CB-CE2 4.38Å; V56-F130 HydrophobicContact CB-CZ 4.11Å; V56-F130 HydrophobicContact CG1-CE2 4.24Å; V56-F130 HydrophobicContact CG1-CZ 4.42Å; V56-F130 HydrophobicContact CG2-CE2 3.82Å; V56-F130 HydrophobicContact CG2-CZ 3.57Å; V107-F130 HydrophobicContact CG1-CD2 4.04Å; V107-F130 HydrophobicContact CG1-CE2 4.3Å; V107-F130 HydrophobicContact CG2-CD2 4.28Å; V107-F130 HydrophobicContact CG2-CE2 3.8Å; L108-F130 HydrophobicContact CD2-CB 3.98Å; L108-F130 HydrophobicContact CD2-CD2 4.43Å; A120-F130 HydrophobicContact CB-CE1 4.33Å; L122-F130 HydrophobicContact CD1-CB 3.8Å; L122-F130 HydrophobicContact CD1-CD1 3.08Å; L122-F130 HydrophobicContact CD1-CD2 4.39Å; L122-F130 HydrophobicContact CD1-CE1 3.62Å; L122-F130 HydrophobicContact CD1-CG 3.5Å; L122-F130 HydrophobicContact CD1-CZ 4.49Å; L122-F130 HydrophobicContact CD2-CD1 4.46Å; L122-F130 HydrophobicContact CD2-CE1 4.43Å; L122-F130 HydrophobicContact CG-CD1 4.29Å; L122-F130 HydrophobicContact CG-CE1 4.46Å; I126-F130 WeakPolarHBondContact O-CB 3.4Å; I126-F130 PolarHBondContact O-N 3.3Å; S128-F130 VanDerWaalsContact C-N 3.25Å; S128-F130 PolarHBondContact O-N 3.23Å; F130-F132 VanDerWaalsContact C-N 3.33Å; F130-F132 PolarHBondContact O-N 3.34Å; F130-K133 WeakPolarHBondContact O-CB 3.4Å; F130-K133 PolarHBondContact O-N 3.27Å; F130-L134 HydrophobicContact CD1-CD1 3.92Å; F130-L134 HydrophobicContact CD1-CG 4.22Å; F130-L134 HydrophobicContact CE1-CD1 3.35Å; F130-L134 HydrophobicContact CE1-CD2 4.36Å; F130-L134 HydrophobicContact CE1-CG 3.8Å; F130-L134 HydrophobicContact CE2-CG 4.41Å; F130-L134 HydrophobicContact CZ-CD1 3.83Å; F130-L134 HydrophobicContact CZ-CD2 3.99Å; F130-L134 HydrophobicContact CZ-CG 3.88Å; F130-L134 PolarHBondContact O-N 3.37Å; F130-L146 HydrophobicContact CE1-CD2 4.07Å
131	V	96.6	Very high	93.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-47.6	174.9	167.4	0	0	0	0	110.5	S127 S128 K133 L134 L135 L146 F148 F152 T172 I202	S127-V131 VanDerWaalsContact O-CG2 3.31Å; S127-V131 WeakPolarHBondContact O-CG2 3.46Å; S127-V131 PolarHBondContact O-N 3.3Å; S128-V131 PolarHBondContact O-N 2.98Å; V131-K133 PolarHBondContact O-N 3.31Å; V131-L134 WeakPolarHBondContact O-CB 3.3Å; V131-L134 PolarHBondContact O-N 2.89Å; V131-L135 HydrophobicContact CG1-CD1 3.89Å; V131-L135 HydrophobicContact CG1-CG 4.4Å; V131-L135 VanDerWaalsContact O-CG 3.31Å; V131-L135 WeakPolarHBondContact O-CG 3.37Å; V131-L135 PolarHBondContact O-N 3.21Å; V131-L146 HydrophobicContact CG2-CD1 4.47Å; V131-F148 HydrophobicContact CG2-CE1 4.12Å; V131-F148 HydrophobicContact CG2-CE2 4.33Å; V131-F148 HydrophobicContact CG2-CZ 3.5Å; V131-F152 HydrophobicContact CG2-CE1 4.46Å; V131-T172 HydrophobicContact CG1-CG2 4.13Å; V131-I202 HydrophobicContact CG1-CD1 4.19Å; V131-I202 HydrophobicContact CG2-CD1 4.2Å
132	F	94.5	Very high	93.6	Very high	42 Å²	42	42.3 Å²	42.3	18%	0.184	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-36.9	177.4	-74.1	-67.9	0	0	0	112.9	S128 P129 F130 L134 L135 L136 L168 N171 F213	S128-F132 VanDerWaalsContact O-CD2 3.3Å; S128-F132 WeakPolarHBondContact O-CD2 3.41Å; S128-F132 PolarHBondContact O-N 3.29Å; P129-F132 PolarHBondContact O-N 2.84Å; F130-F132 VanDerWaalsContact C-N 3.33Å; F130-F132 PolarHBondContact O-N 3.34Å; F132-L134 VanDerWaalsContact C-N 3.28Å; F132-L134 PolarHBondContact O-N 3Å; F132-L135 HydrophobicContact CD1-CD1 4.32Å; F132-L135 PolarHBondContact O-N 3.33Å; F132-L136 WeakPolarHBondContact O-CB 3.47Å; F132-L136 VanDerWaalsContact O-CG 3.32Å; F132-L136 WeakPolarHBondContact O-CG 3.43Å; F132-L136 PolarHBondContact O-N 2.82Å; F132-L168 HydrophobicContact CE2-CD1 4.11Å; F132-L168 HydrophobicContact CZ-CD1 4.38Å; F132-N171 HydrophobicContact CE1-CB 3.79Å; F132-N171 HydrophobicContact CZ-CB 3.75Å; F132-F213 AromaticContact CD1-CZ 3.94Å; F132-F213 HydrophobicContact CD1-CZ 3.94Å; F132-F213 HydrophobicContact CE1-CE2 4.33Å; F132-F213 AromaticContact CE1-CZ 3.66Å; F132-F213 HydrophobicContact CE1-CZ 3.66Å
133	K	96.3	Very high	94.3	Very high	52 Å²	52	42.1 Å²	42.1	23%	0.226	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-41	173.2	-172.8	178.7	176.5	95	0	111.6	V107 L108 T110 L112 P129 F130 V131 H137	V107-K133 WeakPolarHBondContact O-CD 3.41Å; V107-K133 WeakPolarHBondContact O-CE 3.44Å; L108-K133 PolarHBondContact O-NZ 2.95Å; T110-K133 VanDerWaalsContact O-CE 3.24Å; T110-K133 WeakPolarHBondContact O-CE 3.24Å; T110-K133 PolarHBondContact O-NZ 3.49Å; L112-K133 HydrophobicContact CD1-CD 4.19Å; L112-K133 HydrophobicContact CD1-CG 4.29Å; P129-K133 WeakPolarHBondContact O-CB 3.45Å; P129-K133 PolarHBondContact O-N 3.16Å; F130-K133 WeakPolarHBondContact O-CB 3.4Å; F130-K133 PolarHBondContact O-N 3.27Å; V131-K133 PolarHBondContact O-N 3.31Å; K133-H137 WeakPolarHBondContact O-CB 3.3Å; K133-H137 PolarHBondContact O-N 2.7Å; K133-H137 VanDerWaalsContact O-N 3.11Å
134	L	96.8	Very high	94.9	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-49.5	173.8	-73.6	-179.5	0	0	0	111.7	L112 F115 C118 F130 V131 F132 L136 H137 F141 A144 L146	L112-L134 HydrophobicContact CD1-CD2 4.45Å; F115-L134 HydrophobicContact CE2-CD2 4.25Å; F115-L134 HydrophobicContact CZ-CD2 3.66Å; C118-L134 HydrophobicContact CB-CD2 4.49Å; F130-L134 HydrophobicContact CD1-CD1 3.92Å; F130-L134 HydrophobicContact CD1-CG 4.22Å; F130-L134 HydrophobicContact CE1-CD1 3.35Å; F130-L134 HydrophobicContact CE1-CD2 4.36Å; F130-L134 HydrophobicContact CE1-CG 3.8Å; F130-L134 HydrophobicContact CE2-CG 4.41Å; F130-L134 HydrophobicContact CZ-CD1 3.83Å; F130-L134 HydrophobicContact CZ-CD2 3.99Å; F130-L134 HydrophobicContact CZ-CG 3.88Å; F130-L134 PolarHBondContact O-N 3.37Å; V131-L134 WeakPolarHBondContact O-CB 3.3Å; V131-L134 PolarHBondContact O-N 2.89Å; F132-L134 VanDerWaalsContact C-N 3.28Å; F132-L134 PolarHBondContact O-N 3Å; L134-L136 PolarHBondContact O-N 2.91Å; L134-H137 VanDerWaalsContact O-CB 3.25Å; L134-H137 WeakPolarHBondContact O-CB 3.41Å; L134-H137 PolarHBondContact O-N 3.47Å; L134-F141 HydrophobicContact CB-CE1 3.94Å; L134-F141 HydrophobicContact CB-CZ 4.03Å; L134-F141 HydrophobicContact CD2-CE1 4.24Å; L134-F141 WeakPolarHBondContact O-CE1 3.41Å; L134-A144 HydrophobicContact CD1-CB 4.09Å; L134-L146 HydrophobicContact CD1-CD1 3.8Å; L134-L146 HydrophobicContact CD1-CD2 4.24Å
135	L	95.3	Very high	95.5	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-31.7	-177.2	-65.5	171.7	0	0	0	113.2	V131 F132 R138 T172 L175 A176 I202	V131-L135 HydrophobicContact CG1-CD1 3.89Å; V131-L135 HydrophobicContact CG1-CG 4.4Å; V131-L135 VanDerWaalsContact O-CG 3.31Å; V131-L135 WeakPolarHBondContact O-CG 3.37Å; V131-L135 PolarHBondContact O-N 3.21Å; F132-L135 HydrophobicContact CD1-CD1 4.32Å; F132-L135 PolarHBondContact O-N 3.33Å; L135-R138 PolarHBondContact O-NH1 2.94Å; L135-T172 HydrophobicContact CD1-CG2 4.11Å; L135-L175 HydrophobicContact CB-CB 4.27Å; L135-L175 HydrophobicContact CB-CD1 3.9Å; L135-L175 HydrophobicContact CD1-CB 4.18Å; L135-L175 HydrophobicContact CD1-CD1 4.15Å; L135-L175 HydrophobicContact CD2-CB 4.1Å; L135-L175 HydrophobicContact CG-CB 4.41Å; L135-A176 HydrophobicContact CD2-CB 3.45Å; L135-A176 VanDerWaalsContact CD2-CB 3.45Å; L135-I202 HydrophobicContact CD2-CG2 3.97Å
136	L	93.3	Very high	96	Very high	99 Å²	99	32.9 Å²	32.9	52%	0.518	17%	0.165	S	C	.	.	H	α-helix	trans	-87.3	-9.7	176.6	-61.8	177.2	0	0	0	113.4	F132 L134	F132-L136 WeakPolarHBondContact O-CB 3.47Å; F132-L136 VanDerWaalsContact O-CG 3.32Å; F132-L136 WeakPolarHBondContact O-CG 3.43Å; F132-L136 PolarHBondContact O-N 2.82Å; L134-L136 PolarHBondContact O-N 2.91Å
137	H	96.2	Very high	96.2	Very high	22 Å²	22	31 Å²	31	10%	0.102	16%	0.155	C	C	.	.			trans	-65.7	142	-179.3	178.9	-101.9	0	0	0	111.6	L112 P113 F115 K133 L134 P139	L112-H137 PolarHBondContact O-NE2 2.82Å; L112-H137 VanDerWaalsContact O-NE2 3.14Å; P113-H137 PolarHBondContact O-CE1 3Å; P113-H137 PolarHBondContact O-NE2 3Å; F115-H137 AromaticContact CD1-CE1 3.99Å; F115-H137 AromaticContact CE1-CE1 3.42Å; F115-H137 VanDerWaalsContact CE1-CE1 3.42Å; F115-H137 WeakPolarHBondContact CE1-CE1 3.37Å; F115-H137 AromaticContact CE1-ND1 3.59Å; F115-H137 AromaticContact CE1-NE2 3.89Å; F115-H137 AromaticContact CZ-ND1 3.76Å; K133-H137 WeakPolarHBondContact O-CB 3.3Å; K133-H137 PolarHBondContact O-N 2.7Å; K133-H137 VanDerWaalsContact O-N 3.11Å; L134-H137 VanDerWaalsContact O-CB 3.25Å; L134-H137 WeakPolarHBondContact O-CB 3.41Å; L134-H137 PolarHBondContact O-N 3.47Å; H137-P139 PolarHBondContact ND1-O 3.33Å
138	R	95.1	Very high	96.3	Very high	117 Å²	117	30.9 Å²	30.9	44%	0.442	16%	0.155	S	C	.	.	S	Bend	trans	-135.5	146.2	174.4	-62.5	-64.3	-178.8	-87.3	-1.5	109.1	L135 F140	L135-R138 PolarHBondContact O-NH1 2.94Å; R138-F140 VanDerWaalsContact CZ-CE1 3.43Å; R138-F140 VanDerWaalsContact NH1-CE1 3.34Å; R138-F140 VanDerWaalsContact NH2-CZ 3.35Å
139	P	96.8	Very high	96.4	Very high	77 Å²	77	31.6 Å²	31.6	50%	0.5	15%	0.153	S	C	.	.	S	Bend	cis	-61.7	160.8	-6.7	-20.8	33.4	0	0	0	113.5	F114 H137 F141	F114-P139 HydrophobicContact CD2-CB 4.08Å; F114-P139 HydrophobicContact CD2-CG 4.1Å; F114-P139 HydrophobicContact CE2-CB 4.4Å; H137-P139 PolarHBondContact ND1-O 3.33Å; P139-F141 PolarHBondContact O-N 3.47Å
140	F	96.9	Very high	96.4	Very high	48 Å²	48	31.4 Å²	31.4	21%	0.211	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-63.4	135.6	-179.9	-77	-72.1	0	0	0	111.9	R138 P204 N206 P208	R138-F140 VanDerWaalsContact CZ-CE1 3.43Å; R138-F140 VanDerWaalsContact NH1-CE1 3.34Å; R138-F140 VanDerWaalsContact NH2-CZ 3.35Å; F140-P204 HydrophobicContact CD1-CB 3.64Å; F140-P204 HydrophobicContact CD1-CG 4.42Å; F140-P204 HydrophobicContact CE1-CB 3.93Å; F140-N206 HydrophobicContact CD2-CB 4.1Å; F140-N206 HydrophobicContact CE2-CB 4.33Å; F140-N206 HydrophobicContact CG-CB 4.28Å; F140-P208 HydrophobicContact CZ-CB 4.29Å; F140-P208 HydrophobicContact CZ-CG 3.91Å
141	F	98.1	Very high	96.4	Very high	8 Å²	8	37 Å²	37	4%	0.035	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-88.1	161.3	166.7	64	-91.9	0	0	0	110.8	F115 L134 P139 A144 P204	F115-F141 HydrophobicContact CD2-CB 3.66Å; F115-F141 HydrophobicContact CD2-CG 4.18Å; F115-F141 HydrophobicContact CE2-CB 3.39Å; F115-F141 AromaticContact CE2-CD1 3.51Å; F115-F141 HydrophobicContact CE2-CD1 3.51Å; F115-F141 HydrophobicContact CE2-CD2 4.15Å; F115-F141 HydrophobicContact CE2-CE1 4.29Å; F115-F141 AromaticContact CE2-CG 3.42Å; F115-F141 HydrophobicContact CE2-CG 3.42Å; F115-F141 VanDerWaalsContact CE2-CG 3.42Å; F115-F141 HydrophobicContact CZ-CB 4.2Å; F115-F141 AromaticContact CZ-CD1 3.68Å; F115-F141 HydrophobicContact CZ-CD1 3.68Å; F115-F141 HydrophobicContact CZ-CE1 4.31Å; F115-F141 HydrophobicContact CZ-CG 4.09Å; F115-F141 VanDerWaalsContact O-CB 3.31Å; F115-F141 WeakPolarHBondContact O-CB 3.35Å; L134-F141 HydrophobicContact CB-CE1 3.94Å; L134-F141 HydrophobicContact CB-CZ 4.03Å; L134-F141 HydrophobicContact CD2-CE1 4.24Å; L134-F141 WeakPolarHBondContact O-CE1 3.41Å; P139-F141 PolarHBondContact O-N 3.47Å; F141-A144 HydrophobicContact CD2-CB 4.42Å; F141-A144 HydrophobicContact CE2-CB 3.63Å; F141-A144 HydrophobicContact CZ-CB 4.15Å; F141-P204 HydrophobicContact CD1-CG 4.08Å; F141-P204 HydrophobicContact CD2-CG 3.99Å; F141-P204 HydrophobicContact CE1-CG 3.59Å; F141-P204 HydrophobicContact CE2-CG 3.48Å; F141-P204 VanDerWaalsContact CE2-CG 3.48Å; F141-P204 HydrophobicContact CG-CG 4.26Å; F141-P204 HydrophobicContact CZ-CG 3.26Å
142	R	97.8	Very high	96.5	Very high	61 Å²	61	38 Å²	38	23%	0.23	18%	0.175	C	C	.	.	S	Bend	trans	-75.4	-52.3	-178	-175.6	174.3	69.5	-124.9	9.8	112.4	A46 D51 D116 V117	A46-R142 PolarHBondContact O-NH2 3.28Å; D51-R142 IonicContact OD1-CZ 3.14Å; D51-R142 IonicContact OD1-NH1 2.8Å; D51-R142 PolarHBondContact OD1-NH1 3.05Å; D51-R142 IonicContact OD1-NH2 3.47Å; D51-R142 IonicContact OD2-CZ 3.67Å; D51-R142 IonicContact OD2-NH1 3.37Å; D51-R142 PolarHBondContact OD2-NH1 3.48Å; D51-R142 IonicContact OD2-NH2 3.62Å; D51-R142 PolarHBondContact OD2-NH2 3.28Å; D116-R142 VanDerWaalsContact O-CB 3.31Å; D116-R142 WeakPolarHBondContact O-CB 3.45Å; D116-R142 PolarHBondContact O-N 2.7Å; V117-R142 VanDerWaalsContact CG2-NH2 3.31Å
143	C	97.9	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.5	177.1	62.5	0	0	0	0	112.2	V117 C118 R201 I202 E203	V117-C143 VanDerWaalsContact CA-O 3.3Å; V117-C143 WeakPolarHBondContact CA-O 3.29Å; C118-C143 PolarHBondContact N-O 3Å; C118-C143 VanDerWaalsContact N-O 3.07Å; C143-R201 HydrophobicContact CB-CG 4.46Å; C143-I202 CarbonylContact C-O 3.45Å; C143-I202 WeakPolarHBondContact CA-O 3.39Å; C143-E203 HydrophobicContact CB-CG 3.93Å
144	A	98.4	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.2	170.9	0	0	0	0	0	109.8	C118 L134 F141 L146 R201 I202	C118-A144 HydrophobicContact CB-CB 3.91Å; C118-A144 CarbonylContact O-C 3.47Å; C118-A144 VanDerWaalsContact O-CA 3.24Å; C118-A144 WeakPolarHBondContact O-CA 3.07Å; L134-A144 HydrophobicContact CD1-CB 4.09Å; F141-A144 HydrophobicContact CD2-CB 4.42Å; F141-A144 HydrophobicContact CE2-CB 3.63Å; F141-A144 HydrophobicContact CZ-CB 4.15Å; A144-L146 HydrophobicContact CB-CD1 4.16Å; A144-L146 HydrophobicContact CB-CD2 4.05Å; A144-L146 HydrophobicContact CB-CG 3.96Å; A144-R201 CarbonylContact O-C 3.47Å; A144-R201 VanDerWaalsContact O-CA 3.29Å; A144-R201 WeakPolarHBondContact O-CA 3.43Å; A144-I202 HydrophobicContact CB-CB 4.42Å; A144-I202 PolarHBondContact N-O 3.2Å; A144-I202 PolarHBondContact O-N 2.92Å
145	V	98.3	Very high	96.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	102.1	174.8	-177.6	0	0	0	0	108.4	I41 A45 C118 V119 A120 L181 V199 V200	I41-V145 HydrophobicContact CG2-CG1 3.89Å; A45-V145 HydrophobicContact CB-CG2 3.95Å; C118-V145 PolarHBondContact O-N 3.09Å; V119-V145 WeakPolarHBondContact CA-O 3.47Å; A120-V145 PolarHBondContact N-O 3.22Å; V145-L181 HydrophobicContact CG1-CD1 4.03Å; V145-V199 HydrophobicContact CG1-CG1 3.4Å; V145-V199 VanDerWaalsContact CG1-CG1 3.4Å; V145-V200 WeakPolarHBondContact CA-O 3.43Å
146	L	97.5	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139	-166	-53.3	177.9	0	0	0	110.3	A120 F130 V131 L134 A144 F148 V199 V200 I202	A120-L146 HydrophobicContact CB-CD2 3.58Å; F130-L146 HydrophobicContact CE1-CD2 4.07Å; V131-L146 HydrophobicContact CG2-CD1 4.47Å; L134-L146 HydrophobicContact CD1-CD1 3.8Å; L134-L146 HydrophobicContact CD1-CD2 4.24Å; A144-L146 HydrophobicContact CB-CD1 4.16Å; A144-L146 HydrophobicContact CB-CD2 4.05Å; A144-L146 HydrophobicContact CB-CG 3.96Å; L146-F148 HydrophobicContact CB-CD2 4.28Å; L146-F148 HydrophobicContact CB-CE1 4.34Å; L146-F148 HydrophobicContact CB-CE2 3.51Å; L146-F148 HydrophobicContact CB-CZ 3.55Å; L146-F148 HydrophobicContact CD1-CE2 4.02Å; L146-F148 HydrophobicContact CD1-CZ 3.59Å; L146-F148 HydrophobicContact CG-CE2 4.42Å; L146-F148 HydrophobicContact CG-CZ 4.22Å; L146-V199 CarbonylContact O-C 3.54Å; L146-V199 WeakPolarHBondContact O-CA 3.43Å; L146-V200 PolarHBondContact N-O 3.41Å; L146-V200 PolarHBondContact O-N 3.14Å; L146-I202 HydrophobicContact CD1-CD1 3.79Å; L146-I202 HydrophobicContact CD1-CG1 4.43Å
147	M	95.9	Very high	97	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.7	173.7	-168.6	162.6	59.4	0	0	111.1	L32 A120 N121 V184 F189 S198	L32-M147 HydrophobicContact CD2-CE 4.41Å; A120-M147 PolarHBondContact O-N 3.44Å; N121-M147 HydrophobicContact CB-CE 3.73Å; N121-M147 WeakPolarHBondContact OD1-CE 3.47Å; M147-V184 HydrophobicContact SD-CG1 4.4Å; M147-V184 HydrophobicContact SD-CG2 4.39Å; M147-F189 HydrophobicContact CE-CE1 3.33Å; M147-F189 HydrophobicContact CE-CZ 3.55Å; M147-F189 HydrophobicContact SD-CE1 4.03Å; M147-F189 HydrophobicContact SD-CZ 3.57Å; M147-F189 VanDerWaalsContact SD-CZ 3.57Å; M147-S198 WeakPolarHBondContact CA-O 3.47Å
148	F	95.9	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	170.5	-178.7	-61.6	-60.5	0	0	0	111.7	L122 S127 V131 L146 F152 A153 L156 S197 S198 V200	L122-F148 HydrophobicContact CD1-CE1 4.46Å; S127-F148 WeakPolarHBondContact OG-CD1 3.25Å; V131-F148 HydrophobicContact CG2-CE1 4.12Å; V131-F148 HydrophobicContact CG2-CE2 4.33Å; V131-F148 HydrophobicContact CG2-CZ 3.5Å; L146-F148 HydrophobicContact CB-CD2 4.28Å; L146-F148 HydrophobicContact CB-CE1 4.34Å; L146-F148 HydrophobicContact CB-CE2 3.51Å; L146-F148 HydrophobicContact CB-CZ 3.55Å; L146-F148 HydrophobicContact CD1-CE2 4.02Å; L146-F148 HydrophobicContact CD1-CZ 3.59Å; L146-F148 HydrophobicContact CG-CE2 4.42Å; L146-F148 HydrophobicContact CG-CZ 4.22Å; F148-F152 HydrophobicContact CB-CB 4.41Å; F148-F152 HydrophobicContact CB-CD1 3.79Å; F148-F152 AromaticContact CD1-CD1 3.74Å; F148-F152 HydrophobicContact CD1-CD1 3.74Å; F148-F152 AromaticContact CD1-CE1 3.78Å; F148-F152 HydrophobicContact CD1-CE1 3.78Å; F148-F152 HydrophobicContact CD2-CD1 4.06Å; F148-F152 HydrophobicContact CD2-CE1 4.25Å; F148-F152 HydrophobicContact CE1-CD1 4.3Å; F148-F152 AromaticContact CE1-CE1 3.87Å; F148-F152 HydrophobicContact CE1-CE1 3.87Å; F148-F152 HydrophobicContact CE2-CE1 4.32Å; F148-F152 AromaticContact CG-CD1 3.6Å; F148-F152 HydrophobicContact CG-CD1 3.6Å; F148-F152 AromaticContact CG-CE1 3.98Å; F148-F152 HydrophobicContact CG-CE1 3.98Å; F148-F152 HydrophobicContact CZ-CE1 4.13Å; F148-A153 HydrophobicContact CB-CB 4.28Å; F148-L156 HydrophobicContact CD2-CD1 3.73Å; F148-L156 HydrophobicContact CE2-CD1 3.56Å; F148-L156 HydrophobicContact CZ-CD1 4.36Å; F148-S197 CarbonylContact O-C 3.55Å; F148-S197 WeakPolarHBondContact O-CA 3.36Å; F148-S197 WeakPolarHBondContact O-CB 3.29Å; F148-S198 PolarHBondContact N-O 3.11Å; F148-S198 PolarHBondContact O-N 3.02Å; F148-V200 HydrophobicContact CD2-CB 4.17Å; F148-V200 HydrophobicContact CD2-CG2 4.11Å; F148-V200 HydrophobicContact CE2-CB 4.31Å
149	Q	95.8	Very high	97.2	Very high	62 Å²	62	35.1 Å²	35.1	29%	0.29	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	147.4	162.2	-62.9	-176.3	-34.4	0	0	110	Y124 E151 F152 A153 V195	Y124-Q149 HydrophobicContact CD1-CB 4.44Å; Y124-Q149 HydrophobicContact CD1-CG 3.4Å; Y124-Q149 VanDerWaalsContact CD1-CG 3.4Å; Y124-Q149 VanDerWaalsContact CD2-CD 3.45Å; Y124-Q149 HydrophobicContact CD2-CG 3.26Å; Y124-Q149 HydrophobicContact CE1-CB 4.43Å; Y124-Q149 HydrophobicContact CE1-CG 3.59Å; Y124-Q149 VanDerWaalsContact CE1-N 3.35Å; Y124-Q149 HydrophobicContact CE2-CG 3.43Å; Y124-Q149 VanDerWaalsContact CE2-CG 3.43Å; Y124-Q149 HydrophobicContact CG-CG 3.19Å; Q149-E151 VanDerWaalsContact C-N 3.33Å; Q149-E151 PolarHBondContact O-N 2.76Å; Q149-F152 HydrophobicContact CB-CB 4.26Å; Q149-F152 PolarHBondContact O-N 2.85Å; Q149-A153 WeakPolarHBondContact O-CB 3.34Å; Q149-A153 PolarHBondContact O-N 3.34Å; Q149-V195 HydrophobicContact CB-CG2 4.28Å; Q149-V195 HydrophobicContact CG-CG2 3.8Å
150	R	95.7	Very high	97.3	Very high	57 Å²	57	33.5 Å²	33.5	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-51.9	-50.8	178.3	176.2	61.2	56.8	69.9	18.3	111.9	F152 A153 M154 K183 E196 S197 S198	R150-F152 PolarHBondContact O-N 2.99Å; R150-A153 PolarHBondContact O-N 3.2Å; R150-M154 HydrophobicContact CG-CG 4.41Å; R150-M154 VanDerWaalsContact O-CG 3.26Å; R150-M154 WeakPolarHBondContact O-CG 3.48Å; R150-M154 PolarHBondContact O-N 3.44Å; R150-K183 VanDerWaalsContact NH2-CB 3.28Å; R150-E196 HydrophobicContact CB-CB 4.07Å; R150-E196 WeakPolarHBondContact CB-O 3.37Å; R150-E196 PolarHBondContact N-O 3.3Å; R150-S197 PolarHBondContact NH2-O 2.94Å; R150-S198 WeakPolarHBondContact CD-OG 3.42Å; R150-S198 PolarHBondContact NE-OG 3.28Å
151	E	96.4	Very high	97.3	Very high	116 Å²	116	33.4 Å²	33.4	54%	0.542	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-45.9	-177.9	-169.2	-160.2	150.1	0	0	111.5	Q149 A153 M154 R155 L164	Q149-E151 VanDerWaalsContact C-N 3.33Å; Q149-E151 PolarHBondContact O-N 2.76Å; E151-A153 PolarHBondContact O-N 2.85Å; E151-M154 PolarHBondContact O-N 3.39Å; E151-R155 WeakPolarHBondContact O-CG 3.22Å; E151-R155 PolarHBondContact O-N 2.95Å; E151-L164 HydrophobicContact CG-CD2 4.48Å
152	F	96.9	Very high	97.3	Very high	24 Å²	24	36.9 Å²	36.9	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-46.2	178.1	-172.2	-87.8	0	0	0	111.9	V131 F148 Q149 R150 M154 R155 L156 L168	V131-F152 HydrophobicContact CG2-CE1 4.46Å; F148-F152 HydrophobicContact CB-CB 4.41Å; F148-F152 HydrophobicContact CB-CD1 3.79Å; F148-F152 AromaticContact CD1-CD1 3.74Å; F148-F152 HydrophobicContact CD1-CD1 3.74Å; F148-F152 AromaticContact CD1-CE1 3.78Å; F148-F152 HydrophobicContact CD1-CE1 3.78Å; F148-F152 HydrophobicContact CD2-CD1 4.06Å; F148-F152 HydrophobicContact CD2-CE1 4.25Å; F148-F152 HydrophobicContact CE1-CD1 4.3Å; F148-F152 AromaticContact CE1-CE1 3.87Å; F148-F152 HydrophobicContact CE1-CE1 3.87Å; F148-F152 HydrophobicContact CE2-CE1 4.32Å; F148-F152 AromaticContact CG-CD1 3.6Å; F148-F152 HydrophobicContact CG-CD1 3.6Å; F148-F152 AromaticContact CG-CE1 3.98Å; F148-F152 HydrophobicContact CG-CE1 3.98Å; F148-F152 HydrophobicContact CZ-CE1 4.13Å; Q149-F152 HydrophobicContact CB-CB 4.26Å; Q149-F152 PolarHBondContact O-N 2.85Å; R150-F152 PolarHBondContact O-N 2.99Å; F152-M154 VanDerWaalsContact C-N 3.34Å; F152-M154 PolarHBondContact O-N 3.21Å; F152-R155 WeakPolarHBondContact O-CB 3.3Å; F152-R155 PolarHBondContact O-N 3.46Å; F152-R155 VanDerWaalsContact O-N 3.16Å; F152-L156 HydrophobicContact CD1-CD1 3.98Å; F152-L156 HydrophobicContact CD1-CG 4.27Å; F152-L156 HydrophobicContact CE1-CD1 3.75Å; F152-L156 HydrophobicContact CE1-CD2 4.19Å; F152-L156 HydrophobicContact CE1-CG 4.04Å; F152-L156 PolarHBondContact O-N 2.97Å; F152-L156 VanDerWaalsContact O-N 3.11Å; F152-L168 HydrophobicContact CD2-CD2 3.92Å; F152-L168 HydrophobicContact CE1-CD2 4.3Å; F152-L168 HydrophobicContact CE2-CD2 3.44Å; F152-L168 VanDerWaalsContact CE2-CD2 3.44Å; F152-L168 HydrophobicContact CZ-CD1 4.32Å; F152-L168 HydrophobicContact CZ-CD2 3.65Å
153	A	97.2	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-44.4	175.6	0	0	0	0	0	112.2	F148 Q149 R150 E151 R155 L156 V157 V200	F148-A153 HydrophobicContact CB-CB 4.28Å; Q149-A153 WeakPolarHBondContact O-CB 3.34Å; Q149-A153 PolarHBondContact O-N 3.34Å; R150-A153 PolarHBondContact O-N 3.2Å; E151-A153 PolarHBondContact O-N 2.85Å; A153-R155 VanDerWaalsContact C-N 3.28Å; A153-R155 PolarHBondContact O-N 2.88Å; A153-L156 PolarHBondContact O-N 3.26Å; A153-V157 PolarHBondContact O-N 3.49Å; A153-V200 HydrophobicContact CB-CG2 3.53Å
154	M	97.9	Very high	97.2	Very high	68 Å²	68	46.1 Å²	46.1	34%	0.335	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-28.9	178	-66.1	-50.7	-56.8	0	0	112.4	R150 E151 F152 V157 A158 L164	R150-M154 HydrophobicContact CG-CG 4.41Å; R150-M154 VanDerWaalsContact O-CG 3.26Å; R150-M154 WeakPolarHBondContact O-CG 3.48Å; R150-M154 PolarHBondContact O-N 3.44Å; E151-M154 PolarHBondContact O-N 3.39Å; F152-M154 VanDerWaalsContact C-N 3.34Å; F152-M154 PolarHBondContact O-N 3.21Å; M154-V157 HydrophobicContact CE-CG2 4.2Å; M154-V157 HydrophobicContact SD-CG2 4.46Å; M154-A158 WeakPolarHBondContact O-CB 3.39Å; M154-A158 PolarHBondContact O-N 2.78Å; M154-A158 VanDerWaalsContact O-N 3.09Å; M154-L164 HydrophobicContact CB-CD1 3.49Å; M154-L164 VanDerWaalsContact CB-CD1 3.49Å; M154-L164 HydrophobicContact CG-CD1 4.48Å
155	R	97.8	Very high	97.2	Very high	78 Å²	78	46.1 Å²	46.1	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-38.9	171.5	-72.5	170.5	60.8	-171.7	-3.8	111.8	E151 F152 A153 V157 A158 L164 C166 L168 S169	E151-R155 WeakPolarHBondContact O-CG 3.22Å; E151-R155 PolarHBondContact O-N 2.95Å; F152-R155 WeakPolarHBondContact O-CB 3.3Å; F152-R155 PolarHBondContact O-N 3.46Å; F152-R155 VanDerWaalsContact O-N 3.16Å; A153-R155 VanDerWaalsContact C-N 3.28Å; A153-R155 PolarHBondContact O-N 2.88Å; R155-V157 VanDerWaalsContact C-N 3.32Å; R155-V157 PolarHBondContact O-N 3.24Å; R155-A158 PolarHBondContact O-N 2.79Å; R155-L164 HydrophobicContact CG-CB 4.05Å; R155-L164 HydrophobicContact CG-CD2 4.43Å; R155-C166 PolarHBondContact NE-SG 3.02Å; R155-L168 HydrophobicContact CB-CD2 4.25Å; R155-S169 WeakPolarHBondContact O-CB 3.31Å; R155-S169 PolarHBondContact O-OG 3.48Å
156	L	97.3	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-39	179.6	-67.3	169.5	0	0	0	112.5	F148 F152 A153 L168 T172 Q173 V178 V200	F148-L156 HydrophobicContact CD2-CD1 3.73Å; F148-L156 HydrophobicContact CE2-CD1 3.56Å; F148-L156 HydrophobicContact CZ-CD1 4.36Å; F152-L156 HydrophobicContact CD1-CD1 3.98Å; F152-L156 HydrophobicContact CD1-CG 4.27Å; F152-L156 HydrophobicContact CE1-CD1 3.75Å; F152-L156 HydrophobicContact CE1-CD2 4.19Å; F152-L156 HydrophobicContact CE1-CG 4.04Å; F152-L156 PolarHBondContact O-N 2.97Å; F152-L156 VanDerWaalsContact O-N 3.11Å; A153-L156 PolarHBondContact O-N 3.26Å; L156-L168 HydrophobicContact CD2-CD1 3.89Å; L156-L168 HydrophobicContact CD2-CD2 3.94Å; L156-L168 HydrophobicContact CD2-CG 3.76Å; L156-L168 HydrophobicContact CG-CD2 4.37Å; L156-T172 HydrophobicContact CD2-CG2 3.97Å; L156-T172 WeakPolarHBondContact CD2-OG1 3.28Å; L156-Q173 PolarHBondContact O-NE2 3.44Å; L156-V178 HydrophobicContact CB-CG1 4.03Å; L156-V200 HydrophobicContact CD1-CG1 4.29Å
157	V	97.8	Very high	97.2	Very high	25 Å²	25	50.6 Å²	50.6	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-93.2	-5.2	-177.5	-60.7	0	0	0	0	114.2	A153 M154 R155 Q159 V178 H180	A153-V157 PolarHBondContact O-N 3.49Å; M154-V157 HydrophobicContact CE-CG2 4.2Å; M154-V157 HydrophobicContact SD-CG2 4.46Å; R155-V157 VanDerWaalsContact C-N 3.32Å; R155-V157 PolarHBondContact O-N 3.24Å; V157-Q159 PolarHBondContact O-N 3.46Å; V157-Q159 PolarHBondContact O-NE2 3.33Å; V157-Q159 VanDerWaalsContact O-NE2 3.1Å; V157-V178 HydrophobicContact CG1-CB 4.37Å; V157-V178 HydrophobicContact CG1-CG1 3.73Å; V157-H180 HydrophobicContact CG1-CB 4.25Å; V157-H180 HydrophobicContact CG2-CB 4.39Å
158	A	98.2	Very high	97.2	Very high	3 Å²	3	51 Å²	51	3%	0.025	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-59.6	134.8	-178.4	0	0	0	0	0	111.2	M154 R155 D162 L164 Y165 Q173	M154-A158 WeakPolarHBondContact O-CB 3.39Å; M154-A158 PolarHBondContact O-N 2.78Å; M154-A158 VanDerWaalsContact O-N 3.09Å; R155-A158 PolarHBondContact O-N 2.79Å; A158-D162 HydrophobicContact CB-CB 4.17Å; A158-L164 HydrophobicContact CB-CB 4.2Å; A158-Y165 HydrophobicContact CB-CD2 4.42Å; A158-Y165 WeakPolarHBondContact O-CD2 3.33Å; A158-Q173 PolarHBondContact O-NE2 3.02Å
159	Q	97.8	Very high	97.3	Very high	106 Å²	106	51 Å²	51	50%	0.495	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-95.3	162	178.7	-62.7	-56.7	-51.8	0	0	111.1	V157 G161 D162 Y165	V157-Q159 PolarHBondContact O-N 3.46Å; V157-Q159 PolarHBondContact O-NE2 3.33Å; V157-Q159 VanDerWaalsContact O-NE2 3.1Å; Q159-G161 PolarHBondContact O-N 3.13Å; Q159-D162 PolarHBondContact N-OD2 2.87Å; Q159-D162 VanDerWaalsContact O-CB 3.24Å; Q159-D162 WeakPolarHBondContact O-CB 3.34Å; Q159-D162 PolarHBondContact O-N 3.47Å; Q159-Y165 VanDerWaalsContact C-CD2 3.49Å; Q159-Y165 WeakPolarHBondContact O-CB 3.31Å; Q159-Y165 WeakPolarHBondContact O-CD2 3.5Å
160	P	97.9	Very high	97.4	Very high	43 Å²	43	48 Å²	48	28%	0.279	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132.1	172.3	-25.2	34.4	0	0	0	111.4	Y165 D287	P160-Y165 HydrophobicContact CB-CE1 4.35Å; P160-Y165 HydrophobicContact CG-CE1 4.4Å; P160-Y165 HydrophobicContact CG-CE2 4.17Å; P160-D287 HydrophobicContact CG-CB 3.8Å
161	G	96.7	Very high	97.5	Very high	46 Å²	46	45.4 Å²	45.4	47%	0.474	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-22.3	-174.8	0	0	0	0	0	114.3	Q159 R284	Q159-G161 PolarHBondContact O-N 3.13Å; G161-R284 WeakPolarHBondContact CA-O 3.34Å; G161-R284 PolarHBondContact N-O 3.24Å
162	D	97.7	Very high	97.5	Very high	81 Å²	81	39.9 Å²	39.9	43%	0.433	20%	0.202	S	C	.	.			trans	-66.9	147.9	180	-75.6	-22.6	0	0	0	112.5	A158 Q159 L164 Y165	A158-D162 HydrophobicContact CB-CB 4.17Å; Q159-D162 PolarHBondContact N-OD2 2.87Å; Q159-D162 VanDerWaalsContact O-CB 3.24Å; Q159-D162 WeakPolarHBondContact O-CB 3.34Å; Q159-D162 PolarHBondContact O-N 3.47Å; D162-L164 PolarHBondContact O-N 2.68Å; D162-L164 VanDerWaalsContact O-N 3.16Å; D162-Y165 VanDerWaalsContact O-CB 3.27Å; D162-Y165 WeakPolarHBondContact O-CB 3.44Å; D162-Y165 PolarHBondContact O-N 3.06Å
163	K	96.9	Very high	97.6	Very high	193 Å²	193	39.8 Å²	39.8	84%	0.839	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.6	176.5	-174.7	177.3	179.8	179.7	0	112.3	K227	K163-K227 PolarHBondContact O-NZ 3.29Å
164	L	97.7	Very high	97.6	Very high	61 Å²	61	39.9 Å²	39.9	32%	0.319	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.6	-177.3	-64.2	178.2	0	0	0	114	E151 M154 R155 A158 D162 C166	E151-L164 HydrophobicContact CG-CD2 4.48Å; M154-L164 HydrophobicContact CB-CD1 3.49Å; M154-L164 VanDerWaalsContact CB-CD1 3.49Å; M154-L164 HydrophobicContact CG-CD1 4.48Å; R155-L164 HydrophobicContact CG-CB 4.05Å; R155-L164 HydrophobicContact CG-CD2 4.43Å; A158-L164 HydrophobicContact CB-CB 4.2Å; D162-L164 PolarHBondContact O-N 2.68Å; D162-L164 VanDerWaalsContact O-N 3.16Å; L164-C166 PolarHBondContact O-N 2.79Å; L164-C166 PolarHBondContact O-SG 3.3Å
165	Y	98.3	Very high	97.5	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.191	C	C	.	.			trans	-61.2	125.7	177.6	-168.9	-117.7	0	0	0	111.2	A158 Q159 P160 D162 I170 F224 K227 A283 R284 M286	A158-Y165 HydrophobicContact CB-CD2 4.42Å; A158-Y165 WeakPolarHBondContact O-CD2 3.33Å; Q159-Y165 VanDerWaalsContact C-CD2 3.49Å; Q159-Y165 WeakPolarHBondContact O-CB 3.31Å; Q159-Y165 WeakPolarHBondContact O-CD2 3.5Å; P160-Y165 HydrophobicContact CB-CE1 4.35Å; P160-Y165 HydrophobicContact CG-CE1 4.4Å; P160-Y165 HydrophobicContact CG-CE2 4.17Å; D162-Y165 VanDerWaalsContact O-CB 3.27Å; D162-Y165 WeakPolarHBondContact O-CB 3.44Å; D162-Y165 PolarHBondContact O-N 3.06Å; Y165-I170 HydrophobicContact CE2-CB 4.43Å; Y165-I170 WeakPolarHBondContact OH-CB 3.31Å; Y165-I170 WeakPolarHBondContact OH-CD1 3.47Å; Y165-I170 WeakPolarHBondContact OH-CG1 3.18Å; Y165-F224 AromaticContact CD1-CE1 3.91Å; Y165-F224 HydrophobicContact CD1-CE1 3.91Å; Y165-F224 HydrophobicContact CD1-CZ 4.04Å; Y165-F224 AromaticContact CE1-CE1 3.95Å; Y165-F224 HydrophobicContact CE1-CE1 3.95Å; Y165-F224 AromaticContact CE1-CZ 3.57Å; Y165-F224 HydrophobicContact CE1-CZ 3.57Å; Y165-K227 WeakPolarHBondContact O-CD 3.35Å; Y165-K227 PolarHBondContact O-NZ 2.96Å; Y165-A283 WeakPolarHBondContact CE1-O 3.44Å; Y165-R284 VanDerWaalsContact CD1-O 3.31Å; Y165-R284 WeakPolarHBondContact CD1-O 3.49Å; Y165-M286 WeakPolarHBondContact CE1-O 3.36Å; Y165-M286 PolarHBondContact OH-O 3.06Å
166	C	97.8	Very high	97.5	Very high	19 Å²	19	34 Å²	34	13%	0.128	18%	0.178	C	C	.	.			trans	-154	178.1	-176.3	59.4	0	0	0	0	111.8	R155 L164 L168 S169 I170	R155-C166 PolarHBondContact NE-SG 3.02Å; L164-C166 PolarHBondContact O-N 2.79Å; L164-C166 PolarHBondContact O-SG 3.3Å; C166-L168 PolarHBondContact O-N 3.16Å; C166-L168 VanDerWaalsContact O-N 3.1Å; C166-S169 PolarHBondContact N-OG 3.16Å; C166-S169 WeakPolarHBondContact O-CA 3.44Å; C166-S169 WeakPolarHBondContact O-CB 3.47Å; C166-S169 PolarHBondContact O-N 2.72Å; C166-S169 PolarHBondContact O-OG 3.24Å; C166-S169 PolarHBondContact SG-OG 2.56Å; C166-I170 PolarHBondContact O-N 3.47Å
167	R	97.2	Very high	97.6	Very high	77 Å²	77	41.4 Å²	41.4	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-49.3	-36.6	174.9	173	166.4	167.4	-138.9	-6.6	113.9	N171 D217 V220 F224	R167-N171 VanDerWaalsContact O-CB 3.27Å; R167-N171 WeakPolarHBondContact O-CB 3.4Å; R167-N171 VanDerWaalsContact O-CG 3.28Å; R167-N171 PolarHBondContact O-N 3.1Å; R167-N171 VanDerWaalsContact O-N 3.08Å; R167-D217 IonicContact CZ-OD1 2.74Å; R167-D217 IonicContact CZ-OD2 3.95Å; R167-D217 IonicContact NE-OD1 2.78Å; R167-D217 PolarHBondContact NE-OD1 3.11Å; R167-D217 IonicContact NE-OD2 2.81Å; R167-D217 IonicContact NH2-OD1 3.97Å; R167-D217 PolarHBondContact NH2-OD1 2.72Å; R167-D217 IonicContact NH2-OD2 3.15Å; R167-D217 PolarHBondContact NH2-OD2 2.95Å; R167-V220 HydrophobicContact CB-CG1 4Å; R167-V220 HydrophobicContact CG-CG1 3.72Å; R167-F224 HydrophobicContact CB-CB 4.12Å; R167-F224 HydrophobicContact CB-CD2 4.46Å; R167-F224 HydrophobicContact CB-CG 4.2Å
168	L	96.9	Very high	97.6	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-41.7	176.2	178.3	65.7	0	0	0	111.7	F132 F152 R155 L156 C166 T172	F132-L168 HydrophobicContact CE2-CD1 4.11Å; F132-L168 HydrophobicContact CZ-CD1 4.38Å; F152-L168 HydrophobicContact CD2-CD2 3.92Å; F152-L168 HydrophobicContact CE1-CD2 4.3Å; F152-L168 HydrophobicContact CE2-CD2 3.44Å; F152-L168 VanDerWaalsContact CE2-CD2 3.44Å; F152-L168 HydrophobicContact CZ-CD1 4.32Å; F152-L168 HydrophobicContact CZ-CD2 3.65Å; R155-L168 HydrophobicContact CB-CD2 4.25Å; L156-L168 HydrophobicContact CD2-CD1 3.89Å; L156-L168 HydrophobicContact CD2-CD2 3.94Å; L156-L168 HydrophobicContact CD2-CG 3.76Å; L156-L168 HydrophobicContact CG-CD2 4.37Å; C166-L168 PolarHBondContact O-N 3.16Å; C166-L168 VanDerWaalsContact O-N 3.1Å; L168-T172 VanDerWaalsContact O-CB 3.31Å; L168-T172 WeakPolarHBondContact O-CB 3.44Å; L168-T172 PolarHBondContact O-N 2.98Å; L168-T172 VanDerWaalsContact O-N 3.13Å; L168-T172 PolarHBondContact O-OG1 3.02Å
169	S	97.7	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-58.8	179.5	-41.4	0	0	0	0	109.9	R155 C166 N171 T172 Q173	R155-S169 WeakPolarHBondContact O-CB 3.31Å; R155-S169 PolarHBondContact O-OG 3.48Å; C166-S169 PolarHBondContact N-OG 3.16Å; C166-S169 WeakPolarHBondContact O-CA 3.44Å; C166-S169 WeakPolarHBondContact O-CB 3.47Å; C166-S169 PolarHBondContact O-N 2.72Å; C166-S169 PolarHBondContact O-OG 3.24Å; C166-S169 PolarHBondContact SG-OG 2.56Å; S169-N171 PolarHBondContact O-N 3.04Å; S169-T172 PolarHBondContact O-N 3.09Å; S169-Q173 WeakPolarHBondContact O-CB 3.33Å; S169-Q173 WeakPolarHBondContact O-CG 3.47Å; S169-Q173 PolarHBondContact O-N 3.47Å
170	I	97.8	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-40.4	-173.2	-160.5	-176.9	0	0	0	112.5	Y165 C166 T172 Q173 L174 W216 V220 F224 I288 F291	Y165-I170 HydrophobicContact CE2-CB 4.43Å; Y165-I170 WeakPolarHBondContact OH-CB 3.31Å; Y165-I170 WeakPolarHBondContact OH-CD1 3.47Å; Y165-I170 WeakPolarHBondContact OH-CG1 3.18Å; C166-I170 PolarHBondContact O-N 3.47Å; I170-T172 PolarHBondContact O-N 3.28Å; I170-Q173 PolarHBondContact O-N 3.32Å; I170-L174 WeakPolarHBondContact O-CB 3.31Å; I170-L174 PolarHBondContact O-N 3.13Å; I170-W216 HydrophobicContact CD1-CH2 4.29Å; I170-W216 HydrophobicContact CD1-CZ2 3.82Å; I170-W216 HydrophobicContact CG1-CZ2 3.93Å; I170-V220 HydrophobicContact CG2-CG1 3.51Å; I170-V220 HydrophobicContact CG2-CG2 4.3Å; I170-F224 HydrophobicContact CG2-CE2 3.88Å; I170-F224 HydrophobicContact CG2-CZ 4.17Å; I170-I288 HydrophobicContact CG1-CG1 4.12Å; I170-F291 HydrophobicContact CD1-CB 4.24Å; I170-F291 HydrophobicContact CD1-CD2 3.11Å; I170-F291 HydrophobicContact CD1-CE2 3.48Å; I170-F291 VanDerWaalsContact CD1-CE2 3.48Å; I170-F291 HydrophobicContact CD1-CG 3.78Å; I170-F291 HydrophobicContact CD1-CZ 4.42Å
171	N	97.4	Very high	97.6	Very high	2 Å²	2	43 Å²	43	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-37.4	178.6	-74.8	-1.2	0	0	0	112.4	F132 R167 S169 F213 W216 D217	F132-N171 HydrophobicContact CE1-CB 3.79Å; F132-N171 HydrophobicContact CZ-CB 3.75Å; R167-N171 VanDerWaalsContact O-CB 3.27Å; R167-N171 WeakPolarHBondContact O-CB 3.4Å; R167-N171 VanDerWaalsContact O-CG 3.28Å; R167-N171 PolarHBondContact O-N 3.1Å; R167-N171 VanDerWaalsContact O-N 3.08Å; S169-N171 PolarHBondContact O-N 3.04Å; N171-F213 HydrophobicContact CB-CE2 4.32Å; N171-F213 HydrophobicContact CB-CZ 4.45Å; N171-W216 PolarHBondContact OD1-NE1 2.87Å; N171-D217 PolarHBondContact ND2-OD1 3.24Å
172	T	97.4	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.1	-44.4	177.1	-51.4	0	0	0	0	110.1	V131 L135 L156 L168 S169 I170 L174 L175 A176 V178	V131-T172 HydrophobicContact CG1-CG2 4.13Å; L135-T172 HydrophobicContact CD1-CG2 4.11Å; L156-T172 HydrophobicContact CD2-CG2 3.97Å; L156-T172 WeakPolarHBondContact CD2-OG1 3.28Å; L168-T172 VanDerWaalsContact O-CB 3.31Å; L168-T172 WeakPolarHBondContact O-CB 3.44Å; L168-T172 PolarHBondContact O-N 2.98Å; L168-T172 VanDerWaalsContact O-N 3.13Å; L168-T172 PolarHBondContact O-OG1 3.02Å; S169-T172 PolarHBondContact O-N 3.09Å; I170-T172 PolarHBondContact O-N 3.28Å; T172-L174 VanDerWaalsContact C-N 3.32Å; T172-L174 PolarHBondContact O-N 3.12Å; T172-L175 PolarHBondContact O-N 3.43Å; T172-A176 PolarHBondContact O-N 2.8Å; T172-V178 HydrophobicContact CG2-CG2 3.55Å
173	Q	97.8	Very high	97.6	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-70.3	-25.6	-178.9	-68.8	165.2	13.8	0	0	113.3	L156 A158 S169 I170 L175 A176 K205 I288	L156-Q173 PolarHBondContact O-NE2 3.44Å; A158-Q173 PolarHBondContact O-NE2 3.02Å; S169-Q173 WeakPolarHBondContact O-CB 3.33Å; S169-Q173 WeakPolarHBondContact O-CG 3.47Å; S169-Q173 PolarHBondContact O-N 3.47Å; I170-Q173 PolarHBondContact O-N 3.32Å; Q173-L175 VanDerWaalsContact C-N 3.33Å; Q173-A176 CarbonylContact C-O 3.48Å; Q173-A176 WeakPolarHBondContact CA-O 3.32Å; Q173-K205 VanDerWaalsContact O-CE 3.3Å; Q173-K205 WeakPolarHBondContact O-CE 3.32Å; Q173-K205 PolarHBondContact O-NZ 3.31Å; Q173-I288 HydrophobicContact CB-CD1 4.02Å; Q173-I288 WeakPolarHBondContact O-CD1 3.5Å
174	L	97.2	Very high	97.6	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-50.4	168.9	176.1	72.2	0	0	0	110.1	I170 T172 K205 P209 F213 W216 I288 M292	I170-L174 WeakPolarHBondContact O-CB 3.31Å; I170-L174 PolarHBondContact O-N 3.13Å; T172-L174 VanDerWaalsContact C-N 3.32Å; T172-L174 PolarHBondContact O-N 3.12Å; L174-K205 WeakPolarHBondContact O-CD 3.33Å; L174-K205 WeakPolarHBondContact O-CE 3.24Å; L174-K205 PolarHBondContact O-NZ 3.43Å; L174-P209 HydrophobicContact CD1-CB 4.42Å; L174-P209 HydrophobicContact CD1-CG 3.73Å; L174-P209 HydrophobicContact CG-CG 3.96Å; L174-F213 HydrophobicContact CD2-CD2 4.27Å; L174-W216 HydrophobicContact CB-CZ2 4.3Å; L174-W216 HydrophobicContact CD1-CD2 4.45Å; L174-W216 HydrophobicContact CD1-CE3 4.47Å; L174-W216 HydrophobicContact CD1-CH2 4.07Å; L174-W216 HydrophobicContact CD1-CZ2 4.07Å; L174-W216 HydrophobicContact CD1-CZ3 4.28Å; L174-W216 HydrophobicContact CD2-CD2 3.75Å; L174-W216 HydrophobicContact CD2-CE3 4.44Å; L174-W216 HydrophobicContact CD2-CG 3.8Å; L174-W216 HydrophobicContact CD2-CZ2 4.25Å; L174-W216 HydrophobicContact CG-CZ2 4.42Å; L174-I288 HydrophobicContact CD1-CG2 3.95Å; L174-M292 HydrophobicContact CD1-CE 3.37Å
175	L	97.2	Very high	97.5	Very high	20 Å²	20	34.9 Å²	34.9	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-93.4	-17.8	-169	-60	178.5	0	0	0	114.1	L135 T172 Q173 K205 F213	L135-L175 HydrophobicContact CB-CB 4.27Å; L135-L175 HydrophobicContact CB-CD1 3.9Å; L135-L175 HydrophobicContact CD1-CB 4.18Å; L135-L175 HydrophobicContact CD1-CD1 4.15Å; L135-L175 HydrophobicContact CD2-CB 4.1Å; L135-L175 HydrophobicContact CG-CB 4.41Å; T172-L175 PolarHBondContact O-N 3.43Å; Q173-L175 VanDerWaalsContact C-N 3.33Å; L175-K205 PolarHBondContact O-N 3.08Å; L175-F213 HydrophobicContact CD1-CD2 3.93Å; L175-F213 HydrophobicContact CD1-CE2 3.79Å; L175-F213 HydrophobicContact CD2-CD2 4.49Å; L175-F213 HydrophobicContact CG-CD2 4.47Å; L175-F213 HydrophobicContact CG-CE2 4.47Å
176	A	97.9	Very high	97.4	Very high	2 Å²	2	39 Å²	39	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.8	-174.9	0	0	0	0	0	113.5	L135 T172 Q173 V178 I202 E203	L135-A176 HydrophobicContact CD2-CB 3.45Å; L135-A176 VanDerWaalsContact CD2-CB 3.45Å; T172-A176 PolarHBondContact O-N 2.8Å; Q173-A176 CarbonylContact C-O 3.48Å; Q173-A176 WeakPolarHBondContact CA-O 3.32Å; A176-V178 HydrophobicContact CB-CG2 4.48Å; A176-I202 HydrophobicContact CB-CG2 3.55Å; A176-E203 CarbonylContact C-O 3.59Å; A176-E203 WeakPolarHBondContact CA-O 2.96Å; A176-E203 WeakPolarHBondContact CB-O 3.26Å
177	R	98	Very high	97.3	Very high	157 Å²	157	43.9 Å²	43.9	59%	0.592	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	137.5	159.5	-63.2	-172.7	-66.7	-122.7	0.3	108.9	I202 E203	R177-I202 WeakPolarHBondContact O-CA 3.36Å; R177-E203 HydrophobicContact CB-CB 4.37Å; R177-E203 IonicContact CZ-OE2 2.68Å; R177-E203 PolarHBondContact N-O 3.39Å; R177-E203 IonicContact NE-OE2 3.38Å; R177-E203 PolarHBondContact NE-OE2 3.16Å; R177-E203 IonicContact NH2-OE2 2.76Å; R177-E203 PolarHBondContact NH2-OE2 2.75Å; R177-E203 PolarHBondContact O-N 3.46Å
178	V	98.1	Very high	97.2	Very high	21 Å²	21	41.6 Å²	41.6	13%	0.127	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	122.8	-174.8	-170.1	0	0	0	0	110.3	L156 V157 T172 A176 V200 R201 I202	L156-V178 HydrophobicContact CB-CG1 4.03Å; V157-V178 HydrophobicContact CG1-CB 4.37Å; V157-V178 HydrophobicContact CG1-CG1 3.73Å; T172-V178 HydrophobicContact CG2-CG2 3.55Å; A176-V178 HydrophobicContact CB-CG2 4.48Å; V178-V200 HydrophobicContact CG1-CG1 3.34Å; V178-R201 VanDerWaalsContact CA-O 3.3Å; V178-R201 WeakPolarHBondContact CA-O 3.23Å; V178-I202 HydrophobicContact CG1-CG1 4.25Å
179	D	98.1	Very high	97.1	Very high	82 Å²	82	41.1 Å²	41.1	44%	0.439	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.3	-178	-57.8	-61.4	0	0	0	111.4	L181 V200 R201	D179-L181 HydrophobicContact CB-CD2 4.49Å; D179-L181 PolarHBondContact O-N 3.23Å; D179-V200 CarbonylContact O-C 3.55Å; D179-V200 VanDerWaalsContact O-CA 3.29Å; D179-V200 WeakPolarHBondContact O-CA 3.27Å; D179-V200 WeakPolarHBondContact O-CG1 3.19Å; D179-R201 HydrophobicContact CB-CB 4.35Å; D179-R201 PolarHBondContact N-O 3.43Å; D179-R201 PolarHBondContact O-N 3.18Å
180	H	98.1	Very high	96.8	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.287	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.9	168.9	-176.5	-83.2	0	0	0	109.1	V157 S198	V157-H180 HydrophobicContact CG1-CB 4.25Å; V157-H180 HydrophobicContact CG2-CB 4.39Å; H180-S198 VanDerWaalsContact NE2-CB 3.27Å; H180-S198 WeakPolarHBondContact NE2-CB 3.21Å; H180-S198 PolarHBondContact NE2-OG 3.37Å
181	L	97.3	Very high	96.5	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.236	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-48	-173.5	-65.4	180	0	0	0	113.1	K44 V145 D179 V199 R201	K44-L181 HydrophobicContact CB-CD1 3.74Å; K44-L181 HydrophobicContact CD-CD2 4.48Å; K44-L181 HydrophobicContact CG-CD1 4.17Å; V145-L181 HydrophobicContact CG1-CD1 4.03Å; D179-L181 HydrophobicContact CB-CD2 4.49Å; D179-L181 PolarHBondContact O-N 3.23Å; L181-V199 HydrophobicContact CB-CB 4.39Å; L181-V199 HydrophobicContact CB-CG1 4.32Å; L181-V199 HydrophobicContact CD1-CG1 4Å; L181-V199 PolarHBondContact N-O 3Å; L181-R201 HydrophobicContact CD1-CB 3.77Å; L181-R201 HydrophobicContact CD2-CB 4.07Å; L181-R201 HydrophobicContact CG-CB 3.94Å
182	M	96.8	Very high	96.2	Very high	42 Å²	42	54.5 Å²	54.5	21%	0.207	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	156.9	-177.8	61.3	179.6	79.6	0	0	113.1	K44 V184 S198 V199	K44-M182 HydrophobicContact CG-CE 3.99Å; M182-V184 HydrophobicContact CG-CG2 4.47Å; M182-S198 VanDerWaalsContact O-CA 3.32Å; M182-S198 WeakPolarHBondContact O-CA 3.41Å; M182-V199 HydrophobicContact CG-CB 3.74Å; M182-V199 HydrophobicContact CG-CG2 3.69Å; M182-V199 PolarHBondContact N-O 2.86Å; M182-V199 PolarHBondContact O-N 2.99Å; M182-V199 HydrophobicContact SD-CG2 4.27Å
183	K	97.5	Very high	96	Very high	146 Å²	146	54.7 Å²	54.7	64%	0.635	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.9	173.5	-66.3	-179	-179.7	170.7	0	109.6	R150	R150-K183 VanDerWaalsContact NH2-CB 3.28Å
184	V	96.8	Very high	95.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.2	177.8	-177.3	0	0	0	0	109.7	L32 I37 M147 M182 N188 F189 S197 V199	L32-V184 HydrophobicContact CD1-CG1 4.42Å; I37-V184 HydrophobicContact CG1-CG1 4.49Å; I37-V184 HydrophobicContact CG2-CG1 4.08Å; I37-V184 HydrophobicContact CG2-CG2 3.8Å; M147-V184 HydrophobicContact SD-CG1 4.4Å; M147-V184 HydrophobicContact SD-CG2 4.39Å; M182-V184 HydrophobicContact CG-CG2 4.47Å; V184-N188 HydrophobicContact CG1-CB 4.01Å; V184-F189 HydrophobicContact CG1-CE2 3.8Å; V184-F189 HydrophobicContact CG1-CZ 4.11Å; V184-S197 PolarHBondContact N-O 3.21Å; V184-S197 PolarHBondContact O-N 3.13Å; V184-V199 HydrophobicContact CG2-CG2 3.82Å
185	G	97.1	Very high	95.6	Very high	23 Å²	23	66.4 Å²	66.4	24%	0.237	32%	0.321	C	S	.	.			trans	-67.8	144.1	178.6	0	0	0	0	0	113.3	N187 N188 E196	G185-N187 PolarHBondContact O-N 3.15Å; G185-N187 VanDerWaalsContact O-N 3.1Å; G185-N188 WeakPolarHBondContact CA-ND2 3.08Å; G185-N188 PolarHBondContact N-ND2 3.15Å; G185-N188 VanDerWaalsContact O-CB 3.32Å; G185-N188 WeakPolarHBondContact O-CB 3.5Å; G185-N188 PolarHBondContact O-N 3.41Å; G185-N188 PolarHBondContact O-ND2 3.42Å; G185-E196 VanDerWaalsContact CA-OE2 3.29Å; G185-E196 WeakPolarHBondContact CA-OE2 3.45Å
186	K	95.3	Very high	95.5	Very high	88 Å²	88	69 Å²	69	38%	0.383	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-56.8	-26.1	177.4	64.9	-174.2	177.1	-178	0	114.6	N188 F189 P192 P193 E196	K186-N188 PolarHBondContact O-N 3.2Å; K186-F189 PolarHBondContact O-N 2.82Å; K186-P192 WeakPolarHBondContact O-CB 3.46Å; K186-P193 HydrophobicContact CB-CG 4.01Å; K186-E196 PolarHBondContact N-OE1 3.42Å
187	N	95.3	Very high	95.5	Very high	120 Å²	120	68.9 Å²	68.9	64%	0.642	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.3	-12.3	179.1	-64	-19.7	0	0	0	113.5	K33 G185 F189	K33-N187 WeakPolarHBondContact CE-O 3.41Å; K33-N187 PolarHBondContact NZ-O 3.42Å; G185-N187 PolarHBondContact O-N 3.15Å; G185-N187 VanDerWaalsContact O-N 3.1Å; N187-F189 PolarHBondContact O-N 3.33Å
188	N	95.4	Very high	95.4	Very high	29 Å²	29	61.4 Å²	61.4	16%	0.155	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-78.9	-0.5	176.4	-62.6	-63.9	0	0	0	113.4	L32 K33 N34 V184 G185 K186	L32-N188 HydrophobicContact CD1-CB 4.16Å; K33-N188 WeakPolarHBondContact CG-O 3.27Å; K33-N188 PolarHBondContact N-O 3.3Å; N34-N188 HydrophobicContact CB-CB 3.97Å; N34-N188 VanDerWaalsContact CB-OD1 3.31Å; N34-N188 WeakPolarHBondContact CB-OD1 3.4Å; N34-N188 PolarHBondContact ND2-OD1 3.32Å; V184-N188 HydrophobicContact CG1-CB 4.01Å; G185-N188 WeakPolarHBondContact CA-ND2 3.08Å; G185-N188 PolarHBondContact N-ND2 3.15Å; G185-N188 VanDerWaalsContact O-CB 3.32Å; G185-N188 WeakPolarHBondContact O-CB 3.5Å; G185-N188 PolarHBondContact O-N 3.41Å; G185-N188 PolarHBondContact O-ND2 3.42Å; K186-N188 PolarHBondContact O-N 3.2Å
189	F	94	Very high	95.4	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	159.5	-177.7	-62	-93.1	0	0	0	112.3	H30 I31 L32 M147 V184 K186 N187 P193 S197	H30-F189 HydrophobicContact CB-CB 4.37Å; H30-F189 HydrophobicContact CB-CD1 3.93Å; H30-F189 HydrophobicContact CB-CG 4.44Å; I31-F189 CarbonylContact O-C 3.54Å; I31-F189 VanDerWaalsContact O-CA 3.24Å; I31-F189 WeakPolarHBondContact O-CA 3.25Å; L32-F189 HydrophobicContact CB-CE1 4.46Å; L32-F189 HydrophobicContact CD1-CE1 4.23Å; L32-F189 HydrophobicContact CD1-CZ 4.35Å; M147-F189 HydrophobicContact CE-CE1 3.33Å; M147-F189 HydrophobicContact CE-CZ 3.55Å; M147-F189 HydrophobicContact SD-CE1 4.03Å; M147-F189 HydrophobicContact SD-CZ 3.57Å; M147-F189 VanDerWaalsContact SD-CZ 3.57Å; V184-F189 HydrophobicContact CG1-CE2 3.8Å; V184-F189 HydrophobicContact CG1-CZ 4.11Å; K186-F189 PolarHBondContact O-N 2.82Å; N187-F189 PolarHBondContact O-N 3.33Å; F189-P193 VanDerWaalsContact CB-CD 3.49Å; F189-P193 HydrophobicContact CD2-CG 3.9Å; F189-P193 HydrophobicContact CE2-CG 4.29Å; F189-P193 HydrophobicContact CG-CG 4.22Å; F189-S197 WeakPolarHBondContact CE2-OG 3.42Å; F189-S197 WeakPolarHBondContact CZ-OG 3.43Å
190	R	91.6	Very high	95.4	Very high	172 Å²	172	56.5 Å²	56.5	65%	0.649	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.5	169.3	-173.5	176.8	-177.6	173.8	0.2	109.9	I31 K33	I31-R190 WeakPolarHBondContact CB-O 3.36Å; I31-R190 PolarHBondContact N-O 2.92Å; I31-R190 PolarHBondContact O-N 2.99Å; K33-R190 HydrophobicContact CD-CB 4.31Å
191	P	91.7	Very high	95.4	Very high	32 Å²	32	56.1 Å²	56.1	21%	0.208	27%	0.273	C	S	.	.	S	Bend	cis	-61.3	157.1	-18.5	27.5	-34.4	0	0	0	112	F23 T25 H30	F23-P191 HydrophobicContact CB-CG 4.45Å; T25-P191 HydrophobicContact CG2-CB 4.01Å; T25-P191 HydrophobicContact CG2-CG 3.28Å; H30-P191 PolarHBondContact ND1-O 2.9Å
192	P	92.2	Very high	95.5	Very high	78 Å²	78	54 Å²	54	51%	0.506	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-68	136.9	179.7	27.7	-33.8	0	0	0	111.8	K186	K186-P192 WeakPolarHBondContact O-CB 3.46Å
193	P	92.6	Very high	95.6	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.032	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-70.4	163.2	170.5	30.5	-35.4	0	0	0	111.3	Y124 K186 F189 V195	Y124-P193 HydrophobicContact CE2-CB 4.26Å; K186-P193 HydrophobicContact CB-CG 4.01Å; F189-P193 VanDerWaalsContact CB-CD 3.49Å; F189-P193 HydrophobicContact CD2-CG 3.9Å; F189-P193 HydrophobicContact CE2-CG 4.29Å; F189-P193 HydrophobicContact CG-CG 4.22Å; P193-V195 VanDerWaalsContact C-N 3.28Å; P193-V195 WeakPolarHBondContact CG-O 3.3Å; P193-V195 PolarHBondContact O-N 3.37Å
194	K	92	Very high	95.6	Very high	206 Å²	206	47.1 Å²	47.1	90%	0.896	23%	0.232	S	C	*	.	S	Bend	trans	-72.1	-22.8	176.4	-66.2	-175.6	179	-179.3	0	113.4
195	V	94.2	Very high	95.6	Very high	64 Å²	64	50.4 Å²	50.4	39%	0.388	25%	0.247	S	C	.	.	S	Bend	trans	-123.7	160.5	-173.1	-61	0	0	0	0	111.5	Y124 Q149 P193	Y124-V195 HydrophobicContact CE2-CG2 4.15Å; Q149-V195 HydrophobicContact CB-CG2 4.28Å; Q149-V195 HydrophobicContact CG-CG2 3.8Å; P193-V195 VanDerWaalsContact C-N 3.28Å; P193-V195 WeakPolarHBondContact CG-O 3.3Å; P193-V195 PolarHBondContact O-N 3.37Å
196	E	96.4	Very high	95.5	Very high	73 Å²	73	54.9 Å²	54.9	34%	0.341	27%	0.265	S	S	.	.			trans	-70.7	154	173.9	-67.2	-65.4	123.8	0	0	111.9	R150 G185 K186	R150-E196 HydrophobicContact CB-CB 4.07Å; R150-E196 WeakPolarHBondContact CB-O 3.37Å; R150-E196 PolarHBondContact N-O 3.3Å; G185-E196 VanDerWaalsContact CA-OE2 3.29Å; G185-E196 WeakPolarHBondContact CA-OE2 3.45Å; K186-E196 PolarHBondContact N-OE1 3.42Å
197	S	96.7	Very high	95.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	168	-178.4	-50.3	0	0	0	0	112	Y124 F148 R150 V184 F189	Y124-S197 PolarHBondContact OH-OG 3.36Å; F148-S197 CarbonylContact O-C 3.55Å; F148-S197 WeakPolarHBondContact O-CA 3.36Å; F148-S197 WeakPolarHBondContact O-CB 3.29Å; R150-S197 PolarHBondContact NH2-O 2.94Å; V184-S197 PolarHBondContact N-O 3.21Å; V184-S197 PolarHBondContact O-N 3.13Å; F189-S197 WeakPolarHBondContact CE2-OG 3.42Å; F189-S197 WeakPolarHBondContact CZ-OG 3.43Å
198	S	97.3	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.7	173.6	-73.5	0	0	0	0	111.9	M147 F148 R150 H180 M182	M147-S198 WeakPolarHBondContact CA-O 3.47Å; F148-S198 PolarHBondContact N-O 3.11Å; F148-S198 PolarHBondContact O-N 3.02Å; R150-S198 WeakPolarHBondContact CD-OG 3.42Å; R150-S198 PolarHBondContact NE-OG 3.28Å; H180-S198 VanDerWaalsContact NE2-CB 3.27Å; H180-S198 WeakPolarHBondContact NE2-CB 3.21Å; H180-S198 PolarHBondContact NE2-OG 3.37Å; M182-S198 VanDerWaalsContact O-CA 3.32Å; M182-S198 WeakPolarHBondContact O-CA 3.41Å
199	V	97.8	Very high	95.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.6	174.3	-176	0	0	0	0	108.2	I41 V145 L146 L181 M182 V184	I41-V199 HydrophobicContact CD1-CG2 4.04Å; I41-V199 HydrophobicContact CG1-CG1 4.19Å; I41-V199 HydrophobicContact CG1-CG2 3.88Å; V145-V199 HydrophobicContact CG1-CG1 3.4Å; V145-V199 VanDerWaalsContact CG1-CG1 3.4Å; L146-V199 CarbonylContact O-C 3.54Å; L146-V199 WeakPolarHBondContact O-CA 3.43Å; L181-V199 HydrophobicContact CB-CB 4.39Å; L181-V199 HydrophobicContact CB-CG1 4.32Å; L181-V199 HydrophobicContact CD1-CG1 4Å; L181-V199 PolarHBondContact N-O 3Å; M182-V199 HydrophobicContact CG-CB 3.74Å; M182-V199 HydrophobicContact CG-CG2 3.69Å; M182-V199 PolarHBondContact N-O 2.86Å; M182-V199 PolarHBondContact O-N 2.99Å; M182-V199 HydrophobicContact SD-CG2 4.27Å; V184-V199 HydrophobicContact CG2-CG2 3.82Å
200	V	98.1	Very high	95	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.2	-178.5	176.5	0	0	0	0	108.7	V145 L146 F148 A153 L156 V178 D179 I202	V145-V200 WeakPolarHBondContact CA-O 3.43Å; L146-V200 PolarHBondContact N-O 3.41Å; L146-V200 PolarHBondContact O-N 3.14Å; F148-V200 HydrophobicContact CD2-CB 4.17Å; F148-V200 HydrophobicContact CD2-CG2 4.11Å; F148-V200 HydrophobicContact CE2-CB 4.31Å; A153-V200 HydrophobicContact CB-CG2 3.53Å; L156-V200 HydrophobicContact CD1-CG1 4.29Å; V178-V200 HydrophobicContact CG1-CG1 3.34Å; D179-V200 CarbonylContact O-C 3.55Å; D179-V200 VanDerWaalsContact O-CA 3.29Å; D179-V200 WeakPolarHBondContact O-CA 3.27Å; D179-V200 WeakPolarHBondContact O-CG1 3.19Å; V200-I202 HydrophobicContact CG1-CG1 4.13Å
201	R	98.4	Very high	95.1	Very high	53 Å²	53	53 Å²	53	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.1	169.2	-171.1	171.2	174	142	-11.5	109.2	K44 C143 A144 V178 D179 L181 E203	K44-R201 PolarHBondContact O-NH1 2.85Å; C143-R201 HydrophobicContact CB-CG 4.46Å; A144-R201 CarbonylContact O-C 3.47Å; A144-R201 VanDerWaalsContact O-CA 3.29Å; A144-R201 WeakPolarHBondContact O-CA 3.43Å; V178-R201 VanDerWaalsContact CA-O 3.3Å; V178-R201 WeakPolarHBondContact CA-O 3.23Å; D179-R201 HydrophobicContact CB-CB 4.35Å; D179-R201 PolarHBondContact N-O 3.43Å; D179-R201 PolarHBondContact O-N 3.18Å; L181-R201 HydrophobicContact CD1-CB 3.77Å; L181-R201 HydrophobicContact CD2-CB 4.07Å; L181-R201 HydrophobicContact CG-CB 3.94Å; R201-E203 HydrophobicContact CG-CG 4.3Å; R201-E203 IonicContact CZ-OE1 3.46Å; R201-E203 IonicContact NE-OE1 3.11Å; R201-E203 PolarHBondContact NE-OE1 2.92Å; R201-E203 IonicContact NH2-OE1 2.69Å; R201-E203 PolarHBondContact NH2-OE1 2.95Å
202	I	98.4	Very high	95.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.9	174.5	-56.5	-174.6	0	0	0	108.3	V131 L135 C143 A144 L146 A176 R177 V178 V200	V131-I202 HydrophobicContact CG1-CD1 4.19Å; V131-I202 HydrophobicContact CG2-CD1 4.2Å; L135-I202 HydrophobicContact CD2-CG2 3.97Å; C143-I202 CarbonylContact C-O 3.45Å; C143-I202 WeakPolarHBondContact CA-O 3.39Å; A144-I202 HydrophobicContact CB-CB 4.42Å; A144-I202 PolarHBondContact N-O 3.2Å; A144-I202 PolarHBondContact O-N 2.92Å; L146-I202 HydrophobicContact CD1-CD1 3.79Å; L146-I202 HydrophobicContact CD1-CG1 4.43Å; A176-I202 HydrophobicContact CB-CG2 3.55Å; R177-I202 WeakPolarHBondContact O-CA 3.36Å; V178-I202 HydrophobicContact CG1-CG1 4.25Å; V200-I202 HydrophobicContact CG1-CG1 4.13Å
203	E	98.3	Very high	95.3	Very high	28 Å²	28	54.1 Å²	54.1	13%	0.131	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.3	175.9	-59.8	-171.3	164	0	0	109.5	C143 A176 R177 R201 K205	C143-E203 HydrophobicContact CB-CG 3.93Å; A176-E203 CarbonylContact C-O 3.59Å; A176-E203 WeakPolarHBondContact CA-O 2.96Å; A176-E203 WeakPolarHBondContact CB-O 3.26Å; R177-E203 HydrophobicContact CB-CB 4.37Å; R177-E203 IonicContact CZ-OE2 2.68Å; R177-E203 PolarHBondContact N-O 3.39Å; R177-E203 IonicContact NE-OE2 3.38Å; R177-E203 PolarHBondContact NE-OE2 3.16Å; R177-E203 IonicContact NH2-OE2 2.76Å; R177-E203 PolarHBondContact NH2-OE2 2.75Å; R177-E203 PolarHBondContact O-N 3.46Å; R201-E203 HydrophobicContact CG-CG 4.3Å; R201-E203 IonicContact CZ-OE1 3.46Å; R201-E203 IonicContact NE-OE1 3.11Å; R201-E203 PolarHBondContact NE-OE1 2.92Å; R201-E203 IonicContact NH2-OE1 2.69Å; R201-E203 PolarHBondContact NH2-OE1 2.95Å; E203-K205 PolarHBondContact O-N 3.47Å
204	P	97.8	Very high	95.4	Very high	15 Å²	15	60.4 Å²	60.4	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	137.2	176.3	-23.8	34	0	0	0	111.3	F140 F141 N206	F140-P204 HydrophobicContact CD1-CB 3.64Å; F140-P204 HydrophobicContact CD1-CG 4.42Å; F140-P204 HydrophobicContact CE1-CB 3.93Å; F141-P204 HydrophobicContact CD1-CG 4.08Å; F141-P204 HydrophobicContact CD2-CG 3.99Å; F141-P204 HydrophobicContact CE1-CG 3.59Å; F141-P204 HydrophobicContact CE2-CG 3.48Å; F141-P204 VanDerWaalsContact CE2-CG 3.48Å; F141-P204 HydrophobicContact CG-CG 4.26Å; F141-P204 HydrophobicContact CZ-CG 3.26Å; P204-N206 PolarHBondContact O-N 3.33Å
205	K	96.9	Very high	95.6	Very high	70 Å²	70	51.2 Å²	51.2	30%	0.304	28%	0.279	S	S	.	.			trans	-71.8	125.8	170.1	-65.7	-178.2	-168.9	166	0	108.6	Q173 L174 L175 E203 P207 P208	Q173-K205 VanDerWaalsContact O-CE 3.3Å; Q173-K205 WeakPolarHBondContact O-CE 3.32Å; Q173-K205 PolarHBondContact O-NZ 3.31Å; L174-K205 WeakPolarHBondContact O-CD 3.33Å; L174-K205 WeakPolarHBondContact O-CE 3.24Å; L174-K205 PolarHBondContact O-NZ 3.43Å; L175-K205 PolarHBondContact O-N 3.08Å; E203-K205 PolarHBondContact O-N 3.47Å; K205-P207 CarbonylContact C-O 3.52Å; K205-P207 CarbonylContact O-C 3.49Å; K205-P208 WeakPolarHBondContact O-CA 3.05Å
206	N	94.4	Very high	95.7	Very high	116 Å²	116	48.2 Å²	48.2	62%	0.62	26%	0.26	S	S	*	.	S	Bend	trans	-131.6	111.8	177.6	-173.9	13.4	0	0	0	109.4	F140 P204	F140-N206 HydrophobicContact CD2-CB 4.1Å; F140-N206 HydrophobicContact CE2-CB 4.33Å; F140-N206 HydrophobicContact CG-CB 4.28Å; P204-N206 PolarHBondContact O-N 3.33Å
207	P	93.8	Very high	95.7	Very high	110 Å²	110	46.2 Å²	46.2	71%	0.714	25%	0.252	S	S	*	.	S	Bend	cis	-68.9	152.8	0.4	29.8	-35.1	0	0	0	112.6	K205	K205-P207 CarbonylContact C-O 3.52Å; K205-P207 CarbonylContact O-C 3.49Å
208	P	92.4	Very high	95.8	Very high	47 Å²	47	47 Å²	47	31%	0.305	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70.4	157.5	171.5	32.4	-34.3	0	0	0	109.8	F140 K205	F140-P208 HydrophobicContact CZ-CB 4.29Å; F140-P208 HydrophobicContact CZ-CG 3.91Å; K205-P208 WeakPolarHBondContact O-CA 3.05Å
209	P	92.5	Very high	95.8	Very high	32 Å²	32	47 Å²	47	21%	0.208	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-58.7	141.7	173.8	25.1	-32.9	0	0	0	110.4	L174 V211 M292	L174-P209 HydrophobicContact CD1-CB 4.42Å; L174-P209 HydrophobicContact CD1-CG 3.73Å; L174-P209 HydrophobicContact CG-CG 3.96Å; P209-V211 HydrophobicContact CB-CG2 4.49Å; P209-V211 PolarHBondContact O-N 3.05Å; P209-M292 HydrophobicContact CB-CE 4.1Å
210	P	92.1	Very high	95.8	Very high	141 Å²	141	46.9 Å²	46.9	92%	0.916	26%	0.259	S	S	*	.	S	Bend	trans	-78.2	64.2	-175.8	34.1	-37.1	0	0	0	111.1
211	V	93	Very high	95.7	Very high	40 Å²	40	54.1 Å²	54.1	24%	0.242	29%	0.287	C	S	.	.			trans	-126	135	-176.1	175.1	0	0	0	0	110.2	P209 F213 W216 M292 L295	P209-V211 HydrophobicContact CB-CG2 4.49Å; P209-V211 PolarHBondContact O-N 3.05Å; V211-F213 PolarHBondContact O-N 3.46Å; V211-F213 VanDerWaalsContact O-N 3.12Å; V211-W216 HydrophobicContact CG1-CB 3.84Å; V211-W216 HydrophobicContact CG1-CE3 4.19Å; V211-W216 HydrophobicContact CG1-CG 4.48Å; V211-M292 HydrophobicContact CG2-CE 3.57Å; V211-M292 HydrophobicContact CG2-SD 3.47Å; V211-M292 WeakPolarHBondContact CG2-SD 3.43Å; V211-L295 HydrophobicContact CG1-CD2 4.02Å
212	N	94.3	Very high	95.7	Very high	89 Å²	89	52.1 Å²	52.1	48%	0.476	28%	0.28	S	S	.	.			trans	-66.6	111.4	168.3	-176.9	-16.4	0	0	0	108.9	Q214 E215 W216	N212-Q214 PolarHBondContact O-N 3.28Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.42Å; N212-Q214 PolarHBondContact OD1-N 2.95Å; N212-E215 HydrophobicContact CB-CB 4.08Å; N212-E215 HydrophobicContact CB-CG 4.03Å; N212-E215 WeakPolarHBondContact O-CB 3.47Å; N212-E215 PolarHBondContact O-N 3.35Å; N212-W216 WeakPolarHBondContact O-CB 3.5Å; N212-W216 PolarHBondContact O-N 3.04Å
213	F	93.9	Very high	95.6	Very high	45 Å²	45	52.1 Å²	52.1	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-28.7	-176.9	-176	-101.1	0	0	0	113	F132 N171 L174 L175 V211 D217	F132-F213 AromaticContact CD1-CZ 3.94Å; F132-F213 HydrophobicContact CD1-CZ 3.94Å; F132-F213 HydrophobicContact CE1-CE2 4.33Å; F132-F213 AromaticContact CE1-CZ 3.66Å; F132-F213 HydrophobicContact CE1-CZ 3.66Å; N171-F213 HydrophobicContact CB-CE2 4.32Å; N171-F213 HydrophobicContact CB-CZ 4.45Å; L174-F213 HydrophobicContact CD2-CD2 4.27Å; L175-F213 HydrophobicContact CD1-CD2 3.93Å; L175-F213 HydrophobicContact CD1-CE2 3.79Å; L175-F213 HydrophobicContact CD2-CD2 4.49Å; L175-F213 HydrophobicContact CG-CD2 4.47Å; L175-F213 HydrophobicContact CG-CE2 4.47Å; V211-F213 PolarHBondContact O-N 3.46Å; V211-F213 VanDerWaalsContact O-N 3.12Å; F213-D217 HydrophobicContact CE1-CB 4.23Å; F213-D217 HydrophobicContact CZ-CB 4.37Å; F213-D217 WeakPolarHBondContact O-CB 3.46Å; F213-D217 PolarHBondContact O-N 3.33Å
214	Q	94.5	Very high	95.6	Very high	137 Å²	137	52 Å²	52	64%	0.64	28%	0.279	S	S	*	.	H	α-helix	trans	-68.8	-46.6	178.4	-63.9	-177.9	-2.5	0	0	111.1	N212 D217 G218	N212-Q214 PolarHBondContact O-N 3.28Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.42Å; N212-Q214 PolarHBondContact OD1-N 2.95Å; Q214-D217 PolarHBondContact O-N 3.38Å; Q214-G218 PolarHBondContact O-N 2.93Å
215	E	96.4	Very high	95.5	Very high	14 Å²	14	56.8 Å²	56.8	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-52.1	172.4	-77.7	-65.5	146.2	0	0	111.5	N212 D217 G218 L219 L295 H304 F305 S306	N212-E215 HydrophobicContact CB-CB 4.08Å; N212-E215 HydrophobicContact CB-CG 4.03Å; N212-E215 WeakPolarHBondContact O-CB 3.47Å; N212-E215 PolarHBondContact O-N 3.35Å; E215-D217 PolarHBondContact O-N 2.99Å; E215-G218 PolarHBondContact O-N 2.88Å; E215-L219 PolarHBondContact O-N 3.05Å; E215-L295 HydrophobicContact CB-CD1 4.32Å; E215-H304 WeakPolarHBondContact OE1-CB 3.16Å; E215-F305 WeakPolarHBondContact O-CB 3.27Å; E215-F305 PolarHBondContact OE1-N 3.46Å; E215-F305 WeakPolarHBondContact OE2-CB 3.37Å; E215-F305 PolarHBondContact OE2-N 3.02Å; E215-S306 VanDerWaalsContact CD-OG 3.29Å; E215-S306 WeakPolarHBondContact CG-OG 3.3Å; E215-S306 PolarHBondContact OE1-N 3.33Å; E215-S306 PolarHBondContact OE1-OG 3.38Å
216	W	97.3	Very high	95.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-55.9	-51.2	178	173.2	-86.4	0	0	0	112.2	I170 N171 L174 V211 N212 G218 L219 V220 I288 F291 M292 L295	I170-W216 HydrophobicContact CD1-CH2 4.29Å; I170-W216 HydrophobicContact CD1-CZ2 3.82Å; I170-W216 HydrophobicContact CG1-CZ2 3.93Å; N171-W216 PolarHBondContact OD1-NE1 2.87Å; L174-W216 HydrophobicContact CB-CZ2 4.3Å; L174-W216 HydrophobicContact CD1-CD2 4.45Å; L174-W216 HydrophobicContact CD1-CE3 4.47Å; L174-W216 HydrophobicContact CD1-CH2 4.07Å; L174-W216 HydrophobicContact CD1-CZ2 4.07Å; L174-W216 HydrophobicContact CD1-CZ3 4.28Å; L174-W216 HydrophobicContact CD2-CD2 3.75Å; L174-W216 HydrophobicContact CD2-CE3 4.44Å; L174-W216 HydrophobicContact CD2-CG 3.8Å; L174-W216 HydrophobicContact CD2-CZ2 4.25Å; L174-W216 HydrophobicContact CG-CZ2 4.42Å; V211-W216 HydrophobicContact CG1-CB 3.84Å; V211-W216 HydrophobicContact CG1-CE3 4.19Å; V211-W216 HydrophobicContact CG1-CG 4.48Å; N212-W216 WeakPolarHBondContact O-CB 3.5Å; N212-W216 PolarHBondContact O-N 3.04Å; W216-G218 VanDerWaalsContact C-N 3.29Å; W216-G218 PolarHBondContact O-N 3.09Å; W216-L219 PolarHBondContact O-N 3.3Å; W216-V220 HydrophobicContact CD2-CG2 4.28Å; W216-V220 HydrophobicContact CG-CG2 4.46Å; W216-V220 HydrophobicContact CZ2-CG2 4.16Å; W216-V220 WeakPolarHBondContact O-CB 3.5Å; W216-V220 VanDerWaalsContact O-CG2 3.29Å; W216-V220 WeakPolarHBondContact O-CG2 3.34Å; W216-V220 PolarHBondContact O-N 2.84Å; W216-I288 HydrophobicContact CH2-CG2 3.96Å; W216-F291 HydrophobicContact CH2-CB 3.38Å; W216-F291 HydrophobicContact CH2-CG 4.36Å; W216-F291 HydrophobicContact CZ2-CB 4.12Å; W216-F291 HydrophobicContact CZ3-CB 3.63Å; W216-M292 HydrophobicContact CE3-SD 4.13Å; W216-M292 HydrophobicContact CZ3-CE 4.05Å; W216-M292 HydrophobicContact CZ3-CG 3.97Å; W216-M292 HydrophobicContact CZ3-SD 3.62Å; W216-L295 HydrophobicContact CB-CD2 4.4Å; W216-L295 HydrophobicContact CE3-CD2 4.23Å
217	D	96.3	Very high	95.5	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.171	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-31.8	-177.3	-173.9	56.6	0	0	0	112.1	R167 N171 F213 Q214 E215 R221	R167-D217 IonicContact CZ-OD1 2.74Å; R167-D217 IonicContact CZ-OD2 3.95Å; R167-D217 IonicContact NE-OD1 2.78Å; R167-D217 PolarHBondContact NE-OD1 3.11Å; R167-D217 IonicContact NE-OD2 2.81Å; R167-D217 IonicContact NH2-OD1 3.97Å; R167-D217 PolarHBondContact NH2-OD1 2.72Å; R167-D217 IonicContact NH2-OD2 3.15Å; R167-D217 PolarHBondContact NH2-OD2 2.95Å; N171-D217 PolarHBondContact ND2-OD1 3.24Å; F213-D217 HydrophobicContact CE1-CB 4.23Å; F213-D217 HydrophobicContact CZ-CB 4.37Å; F213-D217 WeakPolarHBondContact O-CB 3.46Å; F213-D217 PolarHBondContact O-N 3.33Å; Q214-D217 PolarHBondContact O-N 3.38Å; E215-D217 PolarHBondContact O-N 2.99Å; D217-R221 WeakPolarHBondContact O-CB 3.36Å; D217-R221 PolarHBondContact O-N 3.42Å
218	G	97.1	Very high	95.7	Very high	15 Å²	15	55.6 Å²	55.6	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-50.7	172.6	0	0	0	0	0	112.4	Q214 E215 W216 R221 I222	Q214-G218 PolarHBondContact O-N 2.93Å; E215-G218 PolarHBondContact O-N 2.88Å; W216-G218 VanDerWaalsContact C-N 3.29Å; W216-G218 PolarHBondContact O-N 3.09Å; G218-R221 PolarHBondContact O-N 3.3Å; G218-I222 WeakPolarHBondContact O-CG1 3.3Å; G218-I222 PolarHBondContact O-N 3.08Å
219	L	97.9	Very high	95.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-52.3	174.9	169.8	61.3	0	0	0	111.6	E215 W216 R221 I222 A223 F235 F291 L294 L295 F298 F305	E215-L219 PolarHBondContact O-N 3.05Å; W216-L219 PolarHBondContact O-N 3.3Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 2.89Å; L219-I222 PolarHBondContact O-N 3.29Å; L219-A223 PolarHBondContact O-N 3.41Å; L219-F235 HydrophobicContact CD1-CZ 3.78Å; L219-F291 HydrophobicContact CD2-CD1 3.95Å; L219-F291 HydrophobicContact CG-CD1 4.05Å; L219-F291 HydrophobicContact CG-CE1 4.33Å; L219-L294 HydrophobicContact CD1-CD2 3.91Å; L219-L294 HydrophobicContact CD1-CG 4.25Å; L219-L294 HydrophobicContact CD2-CB 4.42Å; L219-L294 HydrophobicContact CD2-CD2 4.3Å; L219-L294 HydrophobicContact CD2-CG 4.21Å; L219-L295 HydrophobicContact CB-CD1 4.46Å; L219-L295 HydrophobicContact CD2-CB 3.71Å; L219-L295 HydrophobicContact CD2-CD1 4.11Å; L219-L295 HydrophobicContact CD2-CG 4.46Å; L219-F298 HydrophobicContact CD1-CD2 4.44Å; L219-F298 HydrophobicContact CD1-CE2 4.34Å; L219-F305 HydrophobicContact CB-CD1 4.04Å; L219-F305 HydrophobicContact CB-CD2 3.94Å; L219-F305 HydrophobicContact CB-CE1 3.97Å; L219-F305 HydrophobicContact CB-CE2 3.89Å; L219-F305 HydrophobicContact CB-CG 4.03Å; L219-F305 HydrophobicContact CB-CZ 3.92Å; L219-F305 HydrophobicContact CD1-CE1 3.84Å; L219-F305 HydrophobicContact CD1-CE2 4.1Å; L219-F305 HydrophobicContact CD1-CZ 3.5Å; L219-F305 VanDerWaalsContact CD1-CZ 3.5Å; L219-F305 HydrophobicContact CG-CE2 4.37Å; L219-F305 HydrophobicContact CG-CZ 4.2Å
220	V	97.4	Very high	96.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-38.7	-178.9	171.8	0	0	0	0	110.6	R167 I170 W216 I222 A223 F224 F291	R167-V220 HydrophobicContact CB-CG1 4Å; R167-V220 HydrophobicContact CG-CG1 3.72Å; I170-V220 HydrophobicContact CG2-CG1 3.51Å; I170-V220 HydrophobicContact CG2-CG2 4.3Å; W216-V220 HydrophobicContact CD2-CG2 4.28Å; W216-V220 HydrophobicContact CG-CG2 4.46Å; W216-V220 HydrophobicContact CZ2-CG2 4.16Å; W216-V220 WeakPolarHBondContact O-CB 3.5Å; W216-V220 VanDerWaalsContact O-CG2 3.29Å; W216-V220 WeakPolarHBondContact O-CG2 3.34Å; W216-V220 PolarHBondContact O-N 2.84Å; V220-I222 VanDerWaalsContact C-N 3.33Å; V220-I222 PolarHBondContact O-N 2.74Å; V220-A223 PolarHBondContact O-N 2.95Å; V220-F224 HydrophobicContact CB-CD2 4.47Å; V220-F224 HydrophobicContact CG1-CD2 3.48Å; V220-F224 VanDerWaalsContact CG1-CD2 3.48Å; V220-F224 HydrophobicContact CG1-CE2 3.75Å; V220-F224 HydrophobicContact CG1-CG 4.48Å; V220-F224 WeakPolarHBondContact O-CB 3.32Å; V220-F224 VanDerWaalsContact O-CD2 3.3Å; V220-F224 WeakPolarHBondContact O-CD2 3.37Å; V220-F224 PolarHBondContact O-N 2.87Å; V220-F291 HydrophobicContact CG2-CD1 3.81Å; V220-F291 HydrophobicContact CG2-CE1 3.93Å; V220-F291 HydrophobicContact CG2-CG 4.34Å
221	R	97.1	Very high	96.4	Very high	151 Å²	151	52 Å²	52	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-57.1	-46.6	176	173.8	-175.9	-105.9	-97.9	5	111.3	D217 G218 L219 V225	D217-R221 WeakPolarHBondContact O-CB 3.36Å; D217-R221 PolarHBondContact O-N 3.42Å; G218-R221 PolarHBondContact O-N 3.3Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 2.89Å; R221-V225 VanDerWaalsContact O-CG2 3.23Å; R221-V225 WeakPolarHBondContact O-CG2 3.29Å; R221-V225 PolarHBondContact O-N 2.89Å
222	I	97.6	Very high	96.5	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-50.7	178.9	-66.8	162.6	0	0	0	110.2	G218 L219 V220 F224 V225 A234 F235 V240 F305	G218-I222 WeakPolarHBondContact O-CG1 3.3Å; G218-I222 PolarHBondContact O-N 3.08Å; L219-I222 PolarHBondContact O-N 3.29Å; V220-I222 VanDerWaalsContact C-N 3.33Å; V220-I222 PolarHBondContact O-N 2.74Å; I222-F224 VanDerWaalsContact C-N 3.32Å; I222-F224 PolarHBondContact O-N 3.48Å; I222-V225 PolarHBondContact O-N 3.3Å; I222-A234 HydrophobicContact CG2-CB 4.48Å; I222-F235 HydrophobicContact CD1-CE1 4.45Å; I222-F235 HydrophobicContact CG2-CD1 4.18Å; I222-F235 HydrophobicContact CG2-CE1 4.09Å; I222-F235 HydrophobicContact CG2-CE2 4.49Å; I222-F235 HydrophobicContact CG2-CG 4.44Å; I222-F235 HydrophobicContact CG2-CZ 4.24Å; I222-V240 HydrophobicContact CD1-CG1 3.85Å; I222-V240 HydrophobicContact CD1-CG2 4.39Å; I222-V240 HydrophobicContact CG1-CG1 4.31Å; I222-V240 HydrophobicContact CG1-CG2 4.02Å; I222-V240 HydrophobicContact CG2-CG1 4.02Å; I222-V240 HydrophobicContact CG2-CG2 4Å; I222-F305 HydrophobicContact CD1-CD1 3.67Å; I222-F305 HydrophobicContact CD1-CE1 3.72Å
223	A	97.4	Very high	96.6	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-37.2	-176.2	0	0	0	0	0	113	L219 V220 L231 A283 F291	L219-A223 PolarHBondContact O-N 3.41Å; V220-A223 PolarHBondContact O-N 2.95Å; A223-L231 HydrophobicContact CB-CD2 3.74Å; A223-A283 HydrophobicContact CB-CB 3.9Å; A223-A283 WeakPolarHBondContact O-CB 3.01Å; A223-F291 HydrophobicContact CB-CE1 3.65Å; A223-F291 HydrophobicContact CB-CZ 3.8Å
224	F	97.6	Very high	96.7	Very high	24 Å²	24	46.2 Å²	46.2	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-88.6	-3.4	-175.6	-80.7	-90	0	0	0	115.4	Y165 R167 I170 V220 I222 R226 K227 A283 F291	Y165-F224 AromaticContact CD1-CE1 3.91Å; Y165-F224 HydrophobicContact CD1-CE1 3.91Å; Y165-F224 HydrophobicContact CD1-CZ 4.04Å; Y165-F224 AromaticContact CE1-CE1 3.95Å; Y165-F224 HydrophobicContact CE1-CE1 3.95Å; Y165-F224 AromaticContact CE1-CZ 3.57Å; Y165-F224 HydrophobicContact CE1-CZ 3.57Å; R167-F224 HydrophobicContact CB-CB 4.12Å; R167-F224 HydrophobicContact CB-CD2 4.46Å; R167-F224 HydrophobicContact CB-CG 4.2Å; I170-F224 HydrophobicContact CG2-CE2 3.88Å; I170-F224 HydrophobicContact CG2-CZ 4.17Å; V220-F224 HydrophobicContact CB-CD2 4.47Å; V220-F224 HydrophobicContact CG1-CD2 3.48Å; V220-F224 VanDerWaalsContact CG1-CD2 3.48Å; V220-F224 HydrophobicContact CG1-CE2 3.75Å; V220-F224 HydrophobicContact CG1-CG 4.48Å; V220-F224 WeakPolarHBondContact O-CB 3.32Å; V220-F224 VanDerWaalsContact O-CD2 3.3Å; V220-F224 WeakPolarHBondContact O-CD2 3.37Å; V220-F224 PolarHBondContact O-N 2.87Å; I222-F224 VanDerWaalsContact C-N 3.32Å; I222-F224 PolarHBondContact O-N 3.48Å; F224-R226 VanDerWaalsContact C-N 3.25Å; F224-R226 PolarHBondContact O-N 3.44Å; F224-K227 HydrophobicContact CD1-CB 3.93Å; F224-K227 HydrophobicContact CE1-CB 4.46Å; F224-A283 HydrophobicContact CD1-CB 4.37Å; F224-A283 HydrophobicContact CD2-CB 4.11Å; F224-A283 HydrophobicContact CE1-CB 4.33Å; F224-A283 HydrophobicContact CE2-CB 4.08Å; F224-A283 HydrophobicContact CG-CB 4.29Å; F224-A283 HydrophobicContact CZ-CB 4.2Å; F224-A283 WeakPolarHBondContact CZ-O 3.41Å; F224-F291 HydrophobicContact CD2-CZ 4.12Å; F224-F291 HydrophobicContact CE2-CE1 4.45Å; F224-F291 AromaticContact CE2-CE2 3.76Å; F224-F291 HydrophobicContact CE2-CE2 3.76Å; F224-F291 AromaticContact CE2-CZ 3.5Å; F224-F291 HydrophobicContact CE2-CZ 3.5Å; F224-F291 VanDerWaalsContact CE2-CZ 3.5Å; F224-F291 HydrophobicContact CZ-CE2 4.29Å; F224-F291 HydrophobicContact CZ-CZ 4.37Å
225	V	96.4	Very high	96.8	Very high	116 Å²	116	39.9 Å²	39.9	70%	0.703	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-45.7	174	-179.4	0	0	0	0	110.5	R221 I222	R221-V225 VanDerWaalsContact O-CG2 3.23Å; R221-V225 WeakPolarHBondContact O-CG2 3.29Å; R221-V225 PolarHBondContact O-N 2.89Å; I222-V225 PolarHBondContact O-N 3.3Å
226	R	94.9	Very high	96.7	Very high	135 Å²	135	44.7 Å²	44.7	51%	0.509	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	69.5	174.7	-63.9	-172.3	-64.6	-173.3	-1.2	109.9	F224 N228 K229 A233	F224-R226 VanDerWaalsContact C-N 3.25Å; F224-R226 PolarHBondContact O-N 3.44Å; R226-N228 PolarHBondContact O-N 2.97Å; R226-K229 HydrophobicContact CB-CB 4.11Å; R226-K229 HydrophobicContact CB-CG 3.94Å; R226-K229 PolarHBondContact O-N 3.12Å; R226-A233 PolarHBondContact NH2-O 3.48Å
227	K	96	Very high	96.6	Very high	48 Å²	48	47.2 Å²	47.2	21%	0.209	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.1	-173.3	72.9	178.9	-171.7	176.8	0	117	K163 Y165 F224 A283 R284	K163-K227 PolarHBondContact O-NZ 3.29Å; Y165-K227 WeakPolarHBondContact O-CD 3.35Å; Y165-K227 PolarHBondContact O-NZ 2.96Å; F224-K227 HydrophobicContact CD1-CB 3.93Å; F224-K227 HydrophobicContact CE1-CB 4.46Å; K227-A283 HydrophobicContact CB-CB 4.44Å; K227-R284 HydrophobicContact CB-CB 4.33Å; K227-R284 HydrophobicContact CD-CB 4.49Å; K227-R284 HydrophobicContact CG-CB 4.28Å; K227-R284 WeakPolarHBondContact O-CB 3.31Å; K227-R284 PolarHBondContact O-N 3.13Å
228	N	96.9	Very high	96.5	Very high	89 Å²	89	50 Å²	50	48%	0.476	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-8	178.9	-65.3	-43.8	0	0	0	113.9	R226 R282 R284	R226-N228 PolarHBondContact O-N 2.97Å; N228-R282 VanDerWaalsContact O-CD 3.3Å; N228-R282 WeakPolarHBondContact O-CD 3.5Å; N228-R282 PolarHBondContact O-NE 3.44Å; N228-R284 WeakPolarHBondContact OD1-CD 3.35Å
229	K	97.4	Very high	96.5	Very high	121 Å²	121	52.5 Å²	52.5	53%	0.526	27%	0.273	S	S	.	.	S	Bend	trans	-92.5	160.6	174	-63.1	-62	-175	176.9	0	109.5	R226 A233 R282	R226-K229 HydrophobicContact CB-CB 4.11Å; R226-K229 HydrophobicContact CB-CG 3.94Å; R226-K229 PolarHBondContact O-N 3.12Å; K229-A233 HydrophobicContact CB-CB 4.29Å; K229-R282 WeakPolarHBondContact O-CG 3.47Å
230	T	97.8	Very high	96.4	Very high	23 Å²	23	53.3 Å²	53.3	14%	0.141	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-65.8	155.3	178.3	56.2	0	0	0	0	110.4	S232 A233 A234 N279 E280 K281	T230-S232 VanDerWaalsContact C-N 3.27Å; T230-S232 PolarHBondContact O-N 3.12Å; T230-A233 PolarHBondContact O-N 3.34Å; T230-A233 VanDerWaalsContact O-N 3.13Å; T230-A233 PolarHBondContact OG1-N 2.86Å; T230-A234 PolarHBondContact O-N 3.03Å; T230-A234 VanDerWaalsContact O-N 3.1Å; T230-N279 WeakPolarHBondContact CB-O 3.26Å; T230-E280 WeakPolarHBondContact CG2-OE2 2.93Å; T230-K281 CarbonylContact C-O 3.5Å; T230-K281 WeakPolarHBondContact CA-O 3.34Å
231	L	96.8	Very high	96.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-40.1	175.1	-72	178.2	0	0	0	111	A223 A233 A234 F235 L273 F278 K281 M286 L294	A223-L231 HydrophobicContact CB-CD2 3.74Å; L231-A233 PolarHBondContact O-N 3.17Å; L231-A234 WeakPolarHBondContact O-CA 3.4Å; L231-A234 VanDerWaalsContact O-CB 3.31Å; L231-A234 WeakPolarHBondContact O-CB 3.48Å; L231-A234 PolarHBondContact O-N 3.37Å; L231-F235 HydrophobicContact CB-CD2 4.48Å; L231-F235 HydrophobicContact CB-CE2 4.47Å; L231-F235 HydrophobicContact CD2-CE2 4.49Å; L231-F235 VanDerWaalsContact O-CD2 3.26Å; L231-F235 WeakPolarHBondContact O-CD2 3.35Å; L231-F235 PolarHBondContact O-N 3.34Å; L231-L273 HydrophobicContact CB-CD2 4.37Å; L231-F278 HydrophobicContact CD1-CB 3.85Å; L231-F278 HydrophobicContact CD1-CD1 3.95Å; L231-F278 HydrophobicContact CD1-CG 4.3Å; L231-K281 HydrophobicContact CD1-CB 4.45Å; L231-K281 PolarHBondContact N-O 2.98Å; L231-M286 HydrophobicContact CD1-CE 3.86Å; L231-M286 HydrophobicContact CD1-SD 3.63Å; L231-M286 HydrophobicContact CD2-SD 4.26Å; L231-M286 HydrophobicContact CG-SD 4.12Å; L231-L294 HydrophobicContact CD1-CD2 3.59Å
232	S	96.3	Very high	96.3	Very high	13 Å²	13	54.1 Å²	54.1	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-45.9	-49.6	171.1	-159.6	0	0	0	0	112.5	T230 A234 F235 K236 N279	T230-S232 VanDerWaalsContact C-N 3.27Å; T230-S232 PolarHBondContact O-N 3.12Å; S232-A234 VanDerWaalsContact C-N 3.31Å; S232-A234 PolarHBondContact O-N 3.16Å; S232-F235 PolarHBondContact O-N 2.92Å; S232-K236 WeakPolarHBondContact O-CG 3.28Å; S232-K236 PolarHBondContact O-N 3.2Å; S232-N279 WeakPolarHBondContact CB-O 3.46Å; S232-N279 WeakPolarHBondContact CB-OD1 3.37Å; S232-N279 PolarHBondContact N-O 3.47Å; S232-N279 PolarHBondContact OG-OD1 2.98Å
233	A	96.6	Very high	96.3	Very high	27 Å²	27	57 Å²	57	22%	0.223	30%	0.303	C	S	.	.	H	α-helix	trans	-73.6	-19.4	179.6	0	0	0	0	0	113.9	R226 K229 T230 L231	R226-A233 PolarHBondContact NH2-O 3.48Å; K229-A233 HydrophobicContact CB-CB 4.29Å; T230-A233 PolarHBondContact O-N 3.34Å; T230-A233 VanDerWaalsContact O-N 3.13Å; T230-A233 PolarHBondContact OG1-N 2.86Å; L231-A233 PolarHBondContact O-N 3.17Å
234	A	95.7	Very high	96.2	Very high	12 Å²	12	57 Å²	57	10%	0.099	30%	0.302	C	S	.	.	H	α-helix	trans	-75.7	-36.9	174.1	0	0	0	0	0	111.5	I222 T230 L231 S232	I222-A234 HydrophobicContact CG2-CB 4.48Å; T230-A234 PolarHBondContact O-N 3.03Å; T230-A234 VanDerWaalsContact O-N 3.1Å; L231-A234 WeakPolarHBondContact O-CA 3.4Å; L231-A234 VanDerWaalsContact O-CB 3.31Å; L231-A234 WeakPolarHBondContact O-CB 3.48Å; L231-A234 PolarHBondContact O-N 3.37Å; S232-A234 VanDerWaalsContact C-N 3.31Å; S232-A234 PolarHBondContact O-N 3.16Å
235	F	96.1	Very high	96.2	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.013	31%	0.308	C	S	.	.	H	α-helix	trans	-82.8	-19.9	-178.5	-76.8	-85.5	0	0	0	114.5	L219 I222 L231 S232 S237 V240 L244 I269 L273 F298 F305	L219-F235 HydrophobicContact CD1-CZ 3.78Å; I222-F235 HydrophobicContact CD1-CE1 4.45Å; I222-F235 HydrophobicContact CG2-CD1 4.18Å; I222-F235 HydrophobicContact CG2-CE1 4.09Å; I222-F235 HydrophobicContact CG2-CE2 4.49Å; I222-F235 HydrophobicContact CG2-CG 4.44Å; I222-F235 HydrophobicContact CG2-CZ 4.24Å; L231-F235 HydrophobicContact CB-CD2 4.48Å; L231-F235 HydrophobicContact CB-CE2 4.47Å; L231-F235 HydrophobicContact CD2-CE2 4.49Å; L231-F235 VanDerWaalsContact O-CD2 3.26Å; L231-F235 WeakPolarHBondContact O-CD2 3.35Å; L231-F235 PolarHBondContact O-N 3.34Å; S232-F235 PolarHBondContact O-N 2.92Å; F235-S237 PolarHBondContact O-N 2.94Å; F235-V240 HydrophobicContact CD1-CG1 3.81Å; F235-V240 HydrophobicContact CE1-CG1 4.46Å; F235-L244 HydrophobicContact CD1-CD1 3.8Å; F235-L244 HydrophobicContact CE1-CD1 3.88Å; F235-I269 HydrophobicContact CB-CG2 3.77Å; F235-I269 HydrophobicContact CD1-CG2 4Å; F235-I269 HydrophobicContact CG-CG2 3.89Å; F235-L273 HydrophobicContact CD2-CD1 3.93Å; F235-L273 HydrophobicContact CD2-CD2 4.48Å; F235-L273 HydrophobicContact CE2-CD2 4.32Å; F235-L273 HydrophobicContact CG-CD1 4.45Å; F235-F298 HydrophobicContact CD1-CZ 4.35Å; F235-F298 HydrophobicContact CE1-CE1 4.39Å; F235-F298 HydrophobicContact CE1-CE2 4.1Å; F235-F298 AromaticContact CE1-CZ 3.74Å; F235-F298 HydrophobicContact CE1-CZ 3.74Å; F235-F298 HydrophobicContact CE2-CE2 4.14Å; F235-F298 HydrophobicContact CE2-CZ 4.05Å; F235-F298 AromaticContact CZ-CE2 3.58Å; F235-F298 HydrophobicContact CZ-CE2 3.58Å; F235-F298 AromaticContact CZ-CZ 3.59Å; F235-F298 HydrophobicContact CZ-CZ 3.59Å; F235-F305 AromaticContact CE1-CE1 3.83Å; F235-F305 HydrophobicContact CE1-CE1 3.83Å; F235-F305 HydrophobicContact CE1-CZ 4.12Å; F235-F305 HydrophobicContact CZ-CE1 4.17Å; F235-F305 HydrophobicContact CZ-CZ 4.23Å
236	K	94.7	Very high	96.2	Very high	116 Å²	116	59.1 Å²	59.1	50%	0.504	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	10.9	176	-74.7	178.9	-174.7	-160.5	0	115.6	S232 E270	S232-K236 WeakPolarHBondContact O-CG 3.28Å; S232-K236 PolarHBondContact O-N 3.2Å; K236-E270 WeakPolarHBondContact CE-OE1 3.31Å; K236-E270 IonicContact NZ-OE1 3.3Å; K236-E270 PolarHBondContact NZ-OE1 3.34Å
237	S	94.8	Very high	96.3	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	28%	0.282	S	S	.	.			trans	-81.6	130.3	175.7	179.2	0	0	0	0	109.6	F235 A239 V240 E241	F235-S237 PolarHBondContact O-N 2.94Å; S237-A239 PolarHBondContact O-N 3.4Å; S237-A239 VanDerWaalsContact O-N 3.13Å; S237-V240 WeakPolarHBondContact O-CA 3.43Å; S237-V240 WeakPolarHBondContact O-CB 3.47Å; S237-V240 PolarHBondContact O-N 3.07Å; S237-E241 PolarHBondContact O-N 3.41Å
238	T	94.8	Very high	96.3	Very high	91 Å²	91	52.2 Å²	52.2	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-52.6	-38.6	178.6	-44.5	0	0	0	0	112.8	V240 E241 Q242	T238-V240 VanDerWaalsContact C-N 3.31Å; T238-V240 PolarHBondContact O-N 3.26Å; T238-E241 PolarHBondContact O-N 2.77Å; T238-Q242 WeakPolarHBondContact O-CB 3.24Å; T238-Q242 VanDerWaalsContact O-CG 3.23Å; T238-Q242 WeakPolarHBondContact O-CG 3.47Å; T238-Q242 PolarHBondContact O-N 2.83Å
239	A	95.9	Very high	96.3	Very high	66 Å²	66	54.6 Å²	54.6	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-33	177.8	0	0	0	0	0	112.8	S237 L243	S237-A239 PolarHBondContact O-N 3.4Å; S237-A239 VanDerWaalsContact O-N 3.13Å; A239-L243 WeakPolarHBondContact O-CB 3.5Å; A239-L243 PolarHBondContact O-N 2.95Å
240	V	96.3	Very high	96.2	Very high	17 Å²	17	52.8 Å²	52.8	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-74.3	-45.1	177.2	174.8	0	0	0	0	110.3	I222 F235 S237 T238 Q242 L243 L244	I222-V240 HydrophobicContact CD1-CG1 3.85Å; I222-V240 HydrophobicContact CD1-CG2 4.39Å; I222-V240 HydrophobicContact CG1-CG1 4.31Å; I222-V240 HydrophobicContact CG1-CG2 4.02Å; I222-V240 HydrophobicContact CG2-CG1 4.02Å; I222-V240 HydrophobicContact CG2-CG2 4Å; F235-V240 HydrophobicContact CD1-CG1 3.81Å; F235-V240 HydrophobicContact CE1-CG1 4.46Å; S237-V240 WeakPolarHBondContact O-CA 3.43Å; S237-V240 WeakPolarHBondContact O-CB 3.47Å; S237-V240 PolarHBondContact O-N 3.07Å; T238-V240 VanDerWaalsContact C-N 3.31Å; T238-V240 PolarHBondContact O-N 3.26Å; V240-Q242 VanDerWaalsContact C-N 3.35Å; V240-Q242 PolarHBondContact O-N 3.44Å; V240-L243 WeakPolarHBondContact O-CB 3.27Å; V240-L243 PolarHBondContact O-N 2.87Å; V240-L244 HydrophobicContact CG1-CD1 3.8Å; V240-L244 HydrophobicContact CG1-CG 4.27Å; V240-L244 WeakPolarHBondContact O-CG 3.42Å; V240-L244 PolarHBondContact O-N 3.25Å
241	E	96.1	Very high	96.1	Very high	43 Å²	43	53.3 Å²	53.3	20%	0.201	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-45.8	176.6	-67.3	178.8	153.4	0	0	111.4	S237 T238 L243 L244 E245 I265 S266	S237-E241 PolarHBondContact O-N 3.41Å; T238-E241 PolarHBondContact O-N 2.77Å; E241-L243 PolarHBondContact O-N 2.73Å; E241-L244 PolarHBondContact O-N 2.9Å; E241-E245 WeakPolarHBondContact O-CB 3.48Å; E241-E245 PolarHBondContact O-N 3.05Å; E241-I265 HydrophobicContact CB-CG2 3.97Å; E241-I265 HydrophobicContact CG-CG2 4.48Å; E241-S266 WeakPolarHBondContact OE1-CB 3.38Å; E241-S266 PolarHBondContact OE1-OG 2.96Å
242	Q	96.3	Very high	96	Very high	126 Å²	126	53.4 Å²	53.4	59%	0.589	28%	0.276	S	S	*	.	H	α-helix	trans	-61.4	-41.7	176.6	-74.2	173.7	-6.7	0	0	112.8	T238 V240 K246	T238-Q242 WeakPolarHBondContact O-CB 3.24Å; T238-Q242 VanDerWaalsContact O-CG 3.23Å; T238-Q242 WeakPolarHBondContact O-CG 3.47Å; T238-Q242 PolarHBondContact O-N 2.83Å; V240-Q242 VanDerWaalsContact C-N 3.35Å; V240-Q242 PolarHBondContact O-N 3.44Å; Q242-K246 WeakPolarHBondContact O-CB 3.16Å; Q242-K246 PolarHBondContact O-N 2.83Å; Q242-K246 VanDerWaalsContact O-N 3.11Å
243	L	96.8	Very high	96	Very high	72 Å²	72	57.1 Å²	57.1	38%	0.377	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-52.6	176.6	173.3	65.6	0	0	0	111	A239 V240 E241 K246 N247	A239-L243 WeakPolarHBondContact O-CB 3.5Å; A239-L243 PolarHBondContact O-N 2.95Å; V240-L243 WeakPolarHBondContact O-CB 3.27Å; V240-L243 PolarHBondContact O-N 2.87Å; E241-L243 PolarHBondContact O-N 2.73Å; L243-K246 PolarHBondContact O-N 3.41Å; L243-N247 PolarHBondContact O-N 2.96Å; L243-N247 VanDerWaalsContact O-N 3.09Å
244	L	97.1	Very high	96	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.7	-34.1	-175.3	-63.9	179.4	0	0	0	112	F235 V240 E241 N247 Y248 I265 I269 I303 H304 F305	F235-L244 HydrophobicContact CD1-CD1 3.8Å; F235-L244 HydrophobicContact CE1-CD1 3.88Å; V240-L244 HydrophobicContact CG1-CD1 3.8Å; V240-L244 HydrophobicContact CG1-CG 4.27Å; V240-L244 WeakPolarHBondContact O-CG 3.42Å; V240-L244 PolarHBondContact O-N 3.25Å; E241-L244 PolarHBondContact O-N 2.9Å; L244-N247 PolarHBondContact O-N 3.36Å; L244-Y248 WeakPolarHBondContact O-CB 3.48Å; L244-Y248 PolarHBondContact O-N 3.18Å; L244-I265 HydrophobicContact CB-CD1 4.4Å; L244-I265 HydrophobicContact CB-CG1 4.23Å; L244-I269 HydrophobicContact CB-CD1 4.41Å; L244-I269 HydrophobicContact CD1-CD1 3.64Å; L244-I269 HydrophobicContact CD1-CG1 4.24Å; L244-I303 HydrophobicContact CB-CG2 4.27Å; L244-I303 HydrophobicContact CD1-CG2 4.32Å; L244-I303 HydrophobicContact CD2-CG2 3.89Å; L244-I303 HydrophobicContact CG-CG2 4.37Å; L244-H304 WeakPolarHBondContact CD2-O 3.29Å; L244-F305 HydrophobicContact CD1-CE1 4.48Å; L244-F305 HydrophobicContact CD2-CD1 3.83Å; L244-F305 HydrophobicContact CD2-CE1 3.91Å; L244-F305 HydrophobicContact CD2-CG 4.46Å
245	E	96.7	Very high	95.9	Very high	49 Å²	49	67 Å²	67	23%	0.229	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-44	174.8	-174.2	173.1	179	0	0	111.4	E241 N247 Y248 R249 F263 I265	E241-E245 WeakPolarHBondContact O-CB 3.48Å; E241-E245 PolarHBondContact O-N 3.05Å; E245-N247 VanDerWaalsContact C-N 3.35Å; E245-N247 PolarHBondContact O-N 3.36Å; E245-Y248 PolarHBondContact O-N 2.63Å; E245-R249 WeakPolarHBondContact O-CG 3Å; E245-R249 PolarHBondContact O-N 2.74Å; E245-R249 IonicContact OE1-CZ 3.35Å; E245-R249 IonicContact OE1-NE 3.24Å; E245-R249 PolarHBondContact OE1-NE 3.36Å; E245-R249 IonicContact OE1-NH2 2.76Å; E245-R249 PolarHBondContact OE1-NH2 2.92Å; E245-F263 HydrophobicContact CG-CE1 4.42Å; E245-I265 HydrophobicContact CB-CB 3.94Å; E245-I265 HydrophobicContact CB-CG1 4.04Å; E245-I265 HydrophobicContact CB-CG2 3.98Å; E245-I265 HydrophobicContact CG-CB 4.3Å
246	K	96.6	Very high	95.9	Very high	136 Å²	136	74.1 Å²	74.1	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-57.2	-50.2	174.7	179.1	-171.6	171.6	-169.9	0	110.6	Q242 L243 Y248 R249 I250	Q242-K246 WeakPolarHBondContact O-CB 3.16Å; Q242-K246 PolarHBondContact O-N 2.83Å; Q242-K246 VanDerWaalsContact O-N 3.11Å; L243-K246 PolarHBondContact O-N 3.41Å; K246-Y248 PolarHBondContact O-N 2.81Å; K246-R249 PolarHBondContact O-N 3.04Å; K246-I250 HydrophobicContact CG-CD1 4.21Å; K246-I250 WeakPolarHBondContact O-CG1 3.42Å; K246-I250 PolarHBondContact O-N 3.16Å; K246-I250 VanDerWaalsContact O-N 3.1Å
247	N	96.9	Very high	95.8	Very high	14 Å²	14	72.6 Å²	72.6	8%	0.075	38%	0.378	C	S	.	.	H	α-helix	trans	-65.1	-39.7	-178.7	-70.6	1.6	0	0	0	111.8	L243 L244 E245 I250 H251 H304	L243-N247 PolarHBondContact O-N 2.96Å; L243-N247 VanDerWaalsContact O-N 3.09Å; L244-N247 PolarHBondContact O-N 3.36Å; E245-N247 VanDerWaalsContact C-N 3.35Å; E245-N247 PolarHBondContact O-N 3.36Å; N247-I250 PolarHBondContact O-N 3.26Å; N247-H251 PolarHBondContact O-N 2.84Å; N247-H304 WeakPolarHBondContact CB-O 3.33Å; N247-H304 PolarHBondContact ND2-O 2.69Å
248	Y	96.9	Very high	95.6	Very high	24 Å²	24	79 Å²	79	9%	0.094	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-43.4	175.5	-177.4	-106.2	0	0	0	112.3	L244 E245 K246 I250 H251 C252 V259 F263 K268 G302 I303	L244-Y248 WeakPolarHBondContact O-CB 3.48Å; L244-Y248 PolarHBondContact O-N 3.18Å; E245-Y248 PolarHBondContact O-N 2.63Å; K246-Y248 PolarHBondContact O-N 2.81Å; Y248-I250 VanDerWaalsContact C-N 3.32Å; Y248-I250 PolarHBondContact O-N 3.43Å; Y248-H251 WeakPolarHBondContact O-CB 3.06Å; Y248-H251 PolarHBondContact O-N 3.17Å; Y248-C252 VanDerWaalsContact CE1-SG 3.51Å; Y248-C252 VanDerWaalsContact CZ-SG 3.52Å; Y248-C252 PolarHBondContact O-N 3.38Å; Y248-C252 PolarHBondContact O-SG 3.05Å; Y248-V259 HydrophobicContact CE1-CG2 4.37Å; Y248-F263 AromaticContact CD1-CE1 3.66Å; Y248-F263 HydrophobicContact CD1-CE1 3.66Å; Y248-F263 HydrophobicContact CD1-CE2 4.06Å; Y248-F263 AromaticContact CD1-CZ 3.33Å; Y248-F263 HydrophobicContact CD1-CZ 3.33Å; Y248-F263 HydrophobicContact CE1-CD2 4.24Å; Y248-F263 AromaticContact CE1-CE1 3.9Å; Y248-F263 HydrophobicContact CE1-CE1 3.9Å; Y248-F263 AromaticContact CE1-CE2 3.51Å; Y248-F263 HydrophobicContact CE1-CE2 3.51Å; Y248-F263 AromaticContact CE1-CZ 3.3Å; Y248-F263 HydrophobicContact CE1-CZ 3.3Å; Y248-F263 HydrophobicContact CG-CZ 4.23Å; Y248-K268 HydrophobicContact CD2-CD 4.45Å; Y248-K268 HydrophobicContact CE1-CD 4.42Å; Y248-K268 HydrophobicContact CE2-CD 3.92Å; Y248-K268 VanDerWaalsContact CE2-NZ 3.29Å; Y248-K268 PolarHBondContact OH-NZ 2.97Å; Y248-G302 WeakPolarHBondContact CD2-O 3.11Å; Y248-I303 HydrophobicContact CD2-CG1 4.11Å
249	R	95.6	Very high	95.4	Very high	140 Å²	140	77 Å²	77	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-38.7	175.8	-72.1	178.2	-176	-146.7	3.7	112.1	E245 K246 C252 S253	E245-R249 WeakPolarHBondContact O-CG 3Å; E245-R249 PolarHBondContact O-N 2.74Å; E245-R249 IonicContact OE1-CZ 3.35Å; E245-R249 IonicContact OE1-NE 3.24Å; E245-R249 PolarHBondContact OE1-NE 3.36Å; E245-R249 IonicContact OE1-NH2 2.76Å; E245-R249 PolarHBondContact OE1-NH2 2.92Å; K246-R249 PolarHBondContact O-N 3.04Å; R249-C252 PolarHBondContact O-N 3.32Å; R249-S253 WeakPolarHBondContact O-CB 3.47Å; R249-S253 PolarHBondContact O-N 3.19Å
250	I	95.7	Very high	95	Very high	83 Å²	83	77.3 Å²	77.3	43%	0.426	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-47.7	173.5	-67.2	166	0	0	0	110	K246 N247 Y248 C252 S253 L254	K246-I250 HydrophobicContact CG-CD1 4.21Å; K246-I250 WeakPolarHBondContact O-CG1 3.42Å; K246-I250 PolarHBondContact O-N 3.16Å; K246-I250 VanDerWaalsContact O-N 3.1Å; N247-I250 PolarHBondContact O-N 3.26Å; Y248-I250 VanDerWaalsContact C-N 3.32Å; Y248-I250 PolarHBondContact O-N 3.43Å; I250-C252 PolarHBondContact O-N 3.43Å; I250-S253 WeakPolarHBondContact O-CB 3.3Å; I250-S253 PolarHBondContact O-N 3.43Å; I250-L254 HydrophobicContact CG2-CD1 3.92Å; I250-L254 HydrophobicContact CG2-CG 4.36Å; I250-L254 WeakPolarHBondContact O-CG 3.46Å; I250-L254 PolarHBondContact O-N 3.04Å
251	H	95.6	Very high	94.5	Very high	34 Å²	34	82.2 Å²	82.2	16%	0.157	43%	0.429	C	S	.	.	H	α-helix	trans	-56.9	-48.4	176.2	176.3	89.8	0	0	0	111.7	N247 Y248 S253 L254 H255 M257 G302 H304	N247-H251 PolarHBondContact O-N 2.84Å; Y248-H251 WeakPolarHBondContact O-CB 3.06Å; Y248-H251 PolarHBondContact O-N 3.17Å; H251-S253 VanDerWaalsContact C-N 3.33Å; H251-S253 PolarHBondContact O-N 3.1Å; H251-L254 PolarHBondContact O-N 3.13Å; H251-L254 VanDerWaalsContact O-N 3.17Å; H251-H255 AromaticContact CD2-CD2 4Å; H251-H255 AromaticContact CE1-CD2 3.27Å; H251-H255 PolarHBondContact CE1-CD2 2.91Å; H251-H255 AromaticContact CE1-NE2 3.43Å; H251-H255 PolarHBondContact CE1-NE2 3.35Å; H251-H255 AromaticContact CG-CD2 3.95Å; H251-H255 AromaticContact ND1-CD2 3.52Å; H251-H255 AromaticContact ND1-NE2 3.72Å; H251-H255 AromaticContact NE2-CD2 3.59Å; H251-H255 PolarHBondContact O-CD2 2.73Å; H251-H255 VanDerWaalsContact O-CD2 3.25Å; H251-H255 PolarHBondContact O-N 3.37Å; H251-M257 WeakPolarHBondContact CD2-CE 3.4Å; H251-M257 WeakPolarHBondContact NE2-CE 3.38Å; H251-G302 WeakPolarHBondContact NE2-CA 3.26Å; H251-H304 AromaticContact CE1-NE2 3.9Å; H251-H304 AromaticContact ND1-CD2 3.71Å; H251-H304 AromaticContact ND1-NE2 3.32Å; H251-H304 PolarHBondContact ND1-NE2 3.24Å
252	C	95.4	Very high	94.3	Very high	3 Å²	3	86.8 Å²	86.8	2%	0.02	45%	0.454	C	S	.	.	H	α-helix	trans	-57.9	-44	175.6	-67.6	0	0	0	0	112.2	Y248 R249 I250 L254 H255 N256 M257 V259	Y248-C252 VanDerWaalsContact CE1-SG 3.51Å; Y248-C252 VanDerWaalsContact CZ-SG 3.52Å; Y248-C252 PolarHBondContact O-N 3.38Å; Y248-C252 PolarHBondContact O-SG 3.05Å; R249-C252 PolarHBondContact O-N 3.32Å; I250-C252 PolarHBondContact O-N 3.43Å; C252-L254 VanDerWaalsContact C-N 3.34Å; C252-L254 PolarHBondContact O-N 3.33Å; C252-H255 CarbonylContact O-C 3.55Å; C252-H255 PolarHBondContact O-N 3.36Å; C252-N256 PolarHBondContact O-N 3.42Å; C252-M257 HydrophobicContact CB-CB 4.14Å; C252-M257 HydrophobicContact CB-CE 4.35Å; C252-M257 WeakPolarHBondContact CB-O 3.47Å; C252-M257 PolarHBondContact O-N 3Å; C252-V259 HydrophobicContact CB-CG2 3.69Å
253	S	95.4	Very high	94.1	Very high	91 Å²	91	82.9 Å²	82.9	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-37.8	176.7	-175.3	0	0	0	0	112.9	R249 I250 H251 H255	R249-S253 WeakPolarHBondContact O-CB 3.47Å; R249-S253 PolarHBondContact O-N 3.19Å; I250-S253 WeakPolarHBondContact O-CB 3.3Å; I250-S253 PolarHBondContact O-N 3.43Å; H251-S253 VanDerWaalsContact C-N 3.33Å; H251-S253 PolarHBondContact O-N 3.1Å; S253-H255 VanDerWaalsContact C-N 3.32Å
254	L	95.9	Very high	94	Very high	131 Å²	131	81.5 Å²	81.5	69%	0.686	43%	0.432	S	S	*	.	H	α-helix	trans	-70.9	-30.1	178.9	-71.4	170.8	0	0	0	112.4	I250 H251 C252	I250-L254 HydrophobicContact CG2-CD1 3.92Å; I250-L254 HydrophobicContact CG2-CG 4.36Å; I250-L254 WeakPolarHBondContact O-CG 3.46Å; I250-L254 PolarHBondContact O-N 3.04Å; H251-L254 PolarHBondContact O-N 3.13Å; H251-L254 VanDerWaalsContact O-N 3.17Å; C252-L254 VanDerWaalsContact C-N 3.34Å; C252-L254 PolarHBondContact O-N 3.33Å
255	H	95.3	Very high	94	Very high	115 Å²	115	81.7 Å²	81.7	53%	0.532	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	9.4	-179.1	-70.2	-74.6	0	0	0	113.8	H251 C252 S253 M257	H251-H255 AromaticContact CD2-CD2 4Å; H251-H255 AromaticContact CE1-CD2 3.27Å; H251-H255 PolarHBondContact CE1-CD2 2.91Å; H251-H255 AromaticContact CE1-NE2 3.43Å; H251-H255 PolarHBondContact CE1-NE2 3.35Å; H251-H255 AromaticContact CG-CD2 3.95Å; H251-H255 AromaticContact ND1-CD2 3.52Å; H251-H255 AromaticContact ND1-NE2 3.72Å; H251-H255 AromaticContact NE2-CD2 3.59Å; H251-H255 PolarHBondContact O-CD2 2.73Å; H251-H255 VanDerWaalsContact O-CD2 3.25Å; H251-H255 PolarHBondContact O-N 3.37Å; C252-H255 CarbonylContact O-C 3.55Å; C252-H255 PolarHBondContact O-N 3.36Å; S253-H255 VanDerWaalsContact C-N 3.32Å; H255-M257 HydrophobicContact CB-CE 4.15Å; H255-M257 HydrophobicContact CB-CG 4.03Å; H255-M257 HydrophobicContact CB-SD 4.4Å; H255-M257 PolarHBondContact O-N 3.01Å
256	N	94.4	Very high	93.9	Very high	152 Å²	152	81 Å²	81	81%	0.813	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.8	-176.5	-59.2	-43.6	0	0	0	113.5	C252	C252-N256 PolarHBondContact O-N 3.42Å
257	M	93.7	Very high	93.8	Very high	84 Å²	84	81.8 Å²	81.8	41%	0.414	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-96.2	132.4	175.2	-58.1	-171.9	-61.5	0	0	109.7	H251 C252 H255	H251-M257 WeakPolarHBondContact CD2-CE 3.4Å; H251-M257 WeakPolarHBondContact NE2-CE 3.38Å; C252-M257 HydrophobicContact CB-CB 4.14Å; C252-M257 HydrophobicContact CB-CE 4.35Å; C252-M257 WeakPolarHBondContact CB-O 3.47Å; C252-M257 PolarHBondContact O-N 3Å; H255-M257 HydrophobicContact CB-CE 4.15Å; H255-M257 HydrophobicContact CB-CG 4.03Å; H255-M257 HydrophobicContact CB-SD 4.4Å; H255-M257 PolarHBondContact O-N 3.01Å
258	E	90.3	Very high	93.8	Very high	188 Å²	188	83.6 Å²	83.6	88%	0.879	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-78.7	135.1	172.5	-67.6	-174.3	171.5	0	0	110.5
259	V	89.8	Confident	93.8	Very high	49 Å²	49	82.6 Å²	82.6	30%	0.297	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-90.3	120.4	172.5	-179	0	0	0	0	107.8	Y248 C252 F263	Y248-V259 HydrophobicContact CE1-CG2 4.37Å; C252-V259 HydrophobicContact CB-CG2 3.69Å; V259-F263 HydrophobicContact CG1-CB 3.51Å; V259-F263 HydrophobicContact CG1-CD1 3.65Å; V259-F263 HydrophobicContact CG1-CD2 4.27Å; V259-F263 HydrophobicContact CG1-CE1 4.46Å; V259-F263 HydrophobicContact CG1-CG 3.53Å
260	P	89.3	Confident	93.8	Very high	73 Å²	73	79.4 Å²	79.4	47%	0.474	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-55.9	147.1	179	-26.3	34.8	0	0	0	112.5	D262 F263	P260-D262 VanDerWaalsContact CB-OD1 3.26Å; P260-D262 WeakPolarHBondContact CB-OD1 3.23Å; P260-D262 PolarHBondContact O-N 2.76Å; P260-F263 WeakPolarHBondContact O-CB 3.31Å; P260-F263 PolarHBondContact O-N 2.94Å
261	A	85.8	Confident	93.9	Very high	119 Å²	119	77.9 Å²	77.9	98%	0.983	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.5	-178.6	0	0	0	0	0	113.3
262	D	90.5	Very high	94	Very high	139 Å²	139	76.8 Å²	76.8	74%	0.743	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	11.9	177.5	67.2	-37.2	0	0	0	113.3	P260 S264	P260-D262 VanDerWaalsContact CB-OD1 3.26Å; P260-D262 WeakPolarHBondContact CB-OD1 3.23Å; P260-D262 PolarHBondContact O-N 2.76Å; D262-S264 PolarHBondContact O-N 3.29Å
263	F	92.9	Very high	94	Very high	45 Å²	45	76.7 Å²	76.7	20%	0.197	42%	0.423	C	S	.	.			trans	-58.8	132.8	-178.8	176.1	-104.3	0	0	0	112.3	E245 Y248 V259 P260 I265 K268	E245-F263 HydrophobicContact CG-CE1 4.42Å; Y248-F263 AromaticContact CD1-CE1 3.66Å; Y248-F263 HydrophobicContact CD1-CE1 3.66Å; Y248-F263 HydrophobicContact CD1-CE2 4.06Å; Y248-F263 AromaticContact CD1-CZ 3.33Å; Y248-F263 HydrophobicContact CD1-CZ 3.33Å; Y248-F263 HydrophobicContact CE1-CD2 4.24Å; Y248-F263 AromaticContact CE1-CE1 3.9Å; Y248-F263 HydrophobicContact CE1-CE1 3.9Å; Y248-F263 AromaticContact CE1-CE2 3.51Å; Y248-F263 HydrophobicContact CE1-CE2 3.51Å; Y248-F263 AromaticContact CE1-CZ 3.3Å; Y248-F263 HydrophobicContact CE1-CZ 3.3Å; Y248-F263 HydrophobicContact CG-CZ 4.23Å; V259-F263 HydrophobicContact CG1-CB 3.51Å; V259-F263 HydrophobicContact CG1-CD1 3.65Å; V259-F263 HydrophobicContact CG1-CD2 4.27Å; V259-F263 HydrophobicContact CG1-CE1 4.46Å; V259-F263 HydrophobicContact CG1-CG 3.53Å; P260-F263 WeakPolarHBondContact O-CB 3.31Å; P260-F263 PolarHBondContact O-N 2.94Å; F263-I265 HydrophobicContact CE1-CB 4.02Å; F263-I265 HydrophobicContact CE1-CD1 4.29Å; F263-I265 HydrophobicContact CZ-CB 4.25Å; F263-I265 HydrophobicContact CZ-CD1 3.92Å; F263-K268 HydrophobicContact CE2-CB 4.2Å; F263-K268 HydrophobicContact CE2-CD 3.78Å; F263-K268 HydrophobicContact CZ-CB 4.44Å; F263-K268 HydrophobicContact CZ-CD 4.06Å
264	S	94.8	Very high	94.1	Very high	42 Å²	42	79.4 Å²	79.4	29%	0.294	43%	0.426	S	S	.	.			trans	-126.5	115.6	173	174.7	0	0	0	0	109.9	D262 S266 K267 K268	D262-S264 PolarHBondContact O-N 3.29Å; S264-S266 PolarHBondContact O-N 2.67Å; S264-K267 PolarHBondContact O-N 3.4Å; S264-K268 PolarHBondContact O-N 3.05Å
265	I	95.7	Very high	94	Very high	5 Å²	5	80.3 Å²	80.3	3%	0.026	43%	0.427	C	S	.	.	H	α-helix	trans	-60	-37.5	176.5	-169.9	61	0	0	0	111.5	E241 L244 E245 F263 K267 K268 I269 I303	E241-I265 HydrophobicContact CB-CG2 3.97Å; E241-I265 HydrophobicContact CG-CG2 4.48Å; L244-I265 HydrophobicContact CB-CD1 4.4Å; L244-I265 HydrophobicContact CB-CG1 4.23Å; E245-I265 HydrophobicContact CB-CB 3.94Å; E245-I265 HydrophobicContact CB-CG1 4.04Å; E245-I265 HydrophobicContact CB-CG2 3.98Å; E245-I265 HydrophobicContact CG-CB 4.3Å; F263-I265 HydrophobicContact CE1-CB 4.02Å; F263-I265 HydrophobicContact CE1-CD1 4.29Å; F263-I265 HydrophobicContact CZ-CB 4.25Å; F263-I265 HydrophobicContact CZ-CD1 3.92Å; I265-K267 PolarHBondContact O-N 3.37Å; I265-K268 PolarHBondContact O-N 3.45Å; I265-I269 HydrophobicContact CD1-CD1 4.46Å; I265-I269 HydrophobicContact CD1-CG1 4.44Å; I265-I269 HydrophobicContact CG1-CD1 3.82Å; I265-I269 HydrophobicContact CG1-CG1 4.27Å; I265-I269 VanDerWaalsContact O-CG1 3.31Å; I265-I269 WeakPolarHBondContact O-CG1 3.49Å; I265-I269 PolarHBondContact O-N 2.94Å; I265-I303 HydrophobicContact CD1-CD1 4.34Å
266	S	95.3	Very high	94	Very high	34 Å²	34	76.1 Å²	76.1	24%	0.238	41%	0.412	C	S	.	.	H	α-helix	trans	-60.6	-46.4	-179.7	-45.7	0	0	0	0	111.4	E241 S264 K268 I269 E270	E241-S266 WeakPolarHBondContact OE1-CB 3.38Å; E241-S266 PolarHBondContact OE1-OG 2.96Å; S264-S266 PolarHBondContact O-N 2.67Å; S266-K268 VanDerWaalsContact C-N 3.35Å; S266-K268 PolarHBondContact O-N 3.34Å; S266-I269 PolarHBondContact O-N 2.96Å; S266-E270 WeakPolarHBondContact O-CG 3.48Å; S266-E270 PolarHBondContact O-N 3.21Å
267	K	95.5	Very high	94.1	Very high	152 Å²	152	74.9 Å²	74.9	66%	0.661	41%	0.405	S	S	*	.	H	α-helix	trans	-63.1	-41.1	176.4	-69.1	-176.6	-178.9	176.1	0	111.7	S264 I265 E270 S271	S264-K267 PolarHBondContact O-N 3.4Å; I265-K267 PolarHBondContact O-N 3.37Å; K267-E270 PolarHBondContact O-N 3.32Å; K267-S271 PolarHBondContact O-N 2.78Å
268	K	96.4	Very high	94.3	Very high	52 Å²	52	71.1 Å²	71.1	23%	0.226	39%	0.386	C	S	.	.	H	α-helix	trans	-64.5	-43.5	177.8	-170.2	174.6	170.7	117.1	0	111.6	Y248 F263 S264 I265 S266 S271 V272 A301 I303	Y248-K268 HydrophobicContact CD2-CD 4.45Å; Y248-K268 HydrophobicContact CE1-CD 4.42Å; Y248-K268 HydrophobicContact CE2-CD 3.92Å; Y248-K268 VanDerWaalsContact CE2-NZ 3.29Å; Y248-K268 PolarHBondContact OH-NZ 2.97Å; F263-K268 HydrophobicContact CE2-CB 4.2Å; F263-K268 HydrophobicContact CE2-CD 3.78Å; F263-K268 HydrophobicContact CZ-CB 4.44Å; F263-K268 HydrophobicContact CZ-CD 4.06Å; S264-K268 PolarHBondContact O-N 3.05Å; I265-K268 PolarHBondContact O-N 3.45Å; S266-K268 VanDerWaalsContact C-N 3.35Å; S266-K268 PolarHBondContact O-N 3.34Å; K268-S271 WeakPolarHBondContact O-CB 3.48Å; K268-S271 PolarHBondContact O-N 3.27Å; K268-V272 WeakPolarHBondContact O-CG2 3.46Å; K268-V272 PolarHBondContact O-N 3.4Å; K268-A301 WeakPolarHBondContact CE-O 3.47Å; K268-A301 PolarHBondContact NZ-O 2.95Å; K268-I303 HydrophobicContact CD-CD1 4.18Å; K268-I303 HydrophobicContact CG-CD1 4.09Å
269	I	96.7	Very high	94.4	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-46	175.4	-67.4	162.8	0	0	0	110.9	F235 L244 I265 S266 S271 V272 L273 F298 I303	F235-I269 HydrophobicContact CB-CG2 3.77Å; F235-I269 HydrophobicContact CD1-CG2 4Å; F235-I269 HydrophobicContact CG-CG2 3.89Å; L244-I269 HydrophobicContact CB-CD1 4.41Å; L244-I269 HydrophobicContact CD1-CD1 3.64Å; L244-I269 HydrophobicContact CD1-CG1 4.24Å; I265-I269 HydrophobicContact CD1-CD1 4.46Å; I265-I269 HydrophobicContact CD1-CG1 4.44Å; I265-I269 HydrophobicContact CG1-CD1 3.82Å; I265-I269 HydrophobicContact CG1-CG1 4.27Å; I265-I269 VanDerWaalsContact O-CG1 3.31Å; I265-I269 WeakPolarHBondContact O-CG1 3.49Å; I265-I269 PolarHBondContact O-N 2.94Å; S266-I269 PolarHBondContact O-N 2.96Å; I269-S271 VanDerWaalsContact C-N 3.33Å; I269-S271 PolarHBondContact O-N 3.38Å; I269-V272 PolarHBondContact O-N 2.83Å; I269-L273 HydrophobicContact CG2-CD1 3.9Å; I269-L273 HydrophobicContact CG2-CG 4.29Å; I269-L273 WeakPolarHBondContact O-CB 3.33Å; I269-L273 WeakPolarHBondContact O-CG 3.36Å; I269-L273 PolarHBondContact O-N 3.43Å; I269-F298 HydrophobicContact CG1-CE1 4.4Å; I269-F298 HydrophobicContact CG2-CE1 4.07Å; I269-F298 HydrophobicContact CG2-CZ 4.19Å; I269-I303 HydrophobicContact CG1-CD1 4.23Å
270	E	96.1	Very high	94.7	Very high	73 Å²	73	67.7 Å²	67.7	34%	0.341	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-42.4	177.3	-75.2	-176.7	163.3	0	0	111.7	K236 S266 K267 L273 Q274	K236-E270 WeakPolarHBondContact CE-OE1 3.31Å; K236-E270 IonicContact NZ-OE1 3.3Å; K236-E270 PolarHBondContact NZ-OE1 3.34Å; S266-E270 WeakPolarHBondContact O-CG 3.48Å; S266-E270 PolarHBondContact O-N 3.21Å; K267-E270 PolarHBondContact O-N 3.32Å; E270-L273 PolarHBondContact O-N 3.3Å; E270-Q274 WeakPolarHBondContact O-CB 3.43Å; E270-Q274 PolarHBondContact O-N 2.92Å
271	S	96.6	Very high	95.1	Very high	51 Å²	51	67.6 Å²	67.6	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-58.4	-50.1	174.8	-155.9	0	0	0	0	111.8	K267 K268 I269 L273 Q274 E275	K267-S271 PolarHBondContact O-N 2.78Å; K268-S271 WeakPolarHBondContact O-CB 3.48Å; K268-S271 PolarHBondContact O-N 3.27Å; I269-S271 VanDerWaalsContact C-N 3.33Å; I269-S271 PolarHBondContact O-N 3.38Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 PolarHBondContact O-N 3.32Å; S271-Q274 PolarHBondContact O-N 3.36Å; S271-Q274 VanDerWaalsContact O-N 3.16Å; S271-E275 WeakPolarHBondContact O-CB 3.47Å; S271-E275 WeakPolarHBondContact O-CG 3.32Å; S271-E275 PolarHBondContact O-N 3.2Å; S271-E275 PolarHBondContact OG-OE1 3.39Å
272	V	97.3	Very high	95.7	Very high	11 Å²	11	67 Å²	67	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-42.8	179.8	173.8	0	0	0	0	111.3	K268 I269 Q274 A276 A297 F298 A301 I303	K268-V272 WeakPolarHBondContact O-CG2 3.46Å; K268-V272 PolarHBondContact O-N 3.4Å; I269-V272 PolarHBondContact O-N 2.83Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 2.87Å; V272-A276 VanDerWaalsContact O-CB 3.31Å; V272-A276 WeakPolarHBondContact O-CB 3.5Å; V272-A276 PolarHBondContact O-N 3.46Å; V272-A276 VanDerWaalsContact O-N 3.12Å; V272-A297 HydrophobicContact CG1-CB 4.04Å; V272-F298 HydrophobicContact CB-CD1 4.42Å; V272-F298 HydrophobicContact CB-CE1 4.28Å; V272-F298 HydrophobicContact CG1-CD1 3.83Å; V272-F298 HydrophobicContact CG1-CE1 3.98Å; V272-F298 HydrophobicContact CG1-CG 4.17Å; V272-F298 HydrophobicContact CG1-CZ 4.46Å; V272-A301 HydrophobicContact CG2-CB 3.54Å; V272-I303 HydrophobicContact CG2-CD1 4.49Å
273	L	96.9	Very high	96	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-33.7	177.7	-71.9	176.4	0	0	0	112.8	L231 F235 I269 E270 S271 D277 F278 N279 L294 F298	L231-L273 HydrophobicContact CB-CD2 4.37Å; F235-L273 HydrophobicContact CD2-CD1 3.93Å; F235-L273 HydrophobicContact CD2-CD2 4.48Å; F235-L273 HydrophobicContact CE2-CD2 4.32Å; F235-L273 HydrophobicContact CG-CD1 4.45Å; I269-L273 HydrophobicContact CG2-CD1 3.9Å; I269-L273 HydrophobicContact CG2-CG 4.29Å; I269-L273 WeakPolarHBondContact O-CB 3.33Å; I269-L273 WeakPolarHBondContact O-CG 3.36Å; I269-L273 PolarHBondContact O-N 3.43Å; E270-L273 PolarHBondContact O-N 3.3Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 PolarHBondContact O-N 3.32Å; L273-D277 PolarHBondContact O-N 2.9Å; L273-F278 HydrophobicContact CD2-CB 4Å; L273-F278 PolarHBondContact O-N 2.95Å; L273-N279 HydrophobicContact CB-CB 4.43Å; L273-N279 PolarHBondContact O-N 3.04Å; L273-L294 HydrophobicContact CD2-CD1 3.78Å; L273-F298 HydrophobicContact CD2-CE2 4.09Å; L273-F298 HydrophobicContact CD2-CZ 3.84Å; L273-F298 HydrophobicContact CG-CZ 4.11Å
274	Q	96.3	Very high	96.3	Very high	147 Å²	147	64 Å²	64	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-75.3	-46.3	178.9	-175.6	173.6	-1.4	0	0	111.5	E270 S271 V272 A276 D277	E270-Q274 WeakPolarHBondContact O-CB 3.43Å; E270-Q274 PolarHBondContact O-N 2.92Å; S271-Q274 PolarHBondContact O-N 3.36Å; S271-Q274 VanDerWaalsContact O-N 3.16Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 2.87Å; Q274-A276 VanDerWaalsContact C-N 3.27Å; Q274-A276 PolarHBondContact O-N 3.2Å; Q274-D277 PolarHBondContact O-N 3.48Å
275	E	95.4	Very high	96.4	Very high	151 Å²	151	65.1 Å²	65.1	71%	0.706	32%	0.318	S	S	*	.	H	α-helix	trans	-61.5	-35.8	177.9	-73.1	166.3	-145.4	0	0	112.2	S271	S271-E275 WeakPolarHBondContact O-CB 3.47Å; S271-E275 WeakPolarHBondContact O-CG 3.32Å; S271-E275 PolarHBondContact O-N 3.2Å; S271-E275 PolarHBondContact OG-OE1 3.39Å
276	A	95.2	Very high	96.5	Very high	27 Å²	27	64.9 Å²	64.9	22%	0.223	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.3	178.7	0	0	0	0	0	114.3	V272 Q274 F278 A297	V272-A276 VanDerWaalsContact O-CB 3.31Å; V272-A276 WeakPolarHBondContact O-CB 3.5Å; V272-A276 PolarHBondContact O-N 3.46Å; V272-A276 VanDerWaalsContact O-N 3.12Å; Q274-A276 VanDerWaalsContact C-N 3.27Å; Q274-A276 PolarHBondContact O-N 3.2Å; A276-F278 HydrophobicContact CB-CD2 3.65Å; A276-F278 HydrophobicContact CB-CE2 4.17Å; A276-F278 WeakPolarHBondContact O-CD2 3.5Å; A276-F278 VanDerWaalsContact O-CE2 3.23Å; A276-F278 WeakPolarHBondContact O-CE2 3.35Å; A276-F278 PolarHBondContact O-N 3.38Å; A276-A297 HydrophobicContact CB-CB 3.92Å
277	D	96.1	Very high	96.6	Very high	126 Å²	126	66.5 Å²	66.5	67%	0.674	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	41.1	-177.8	-164.5	33	0	0	0	114.6	L273 Q274	L273-D277 PolarHBondContact O-N 2.9Å; Q274-D277 PolarHBondContact O-N 3.48Å
278	F	97	Very high	96.7	Very high	4 Å²	4	61 Å²	61	2%	0.018	30%	0.3	C	S	.	.			trans	-111.1	-6.1	178.6	-79.3	-80.6	0	0	0	114.2	L231 L273 A276 E280 K281 M286 D290 V293 L294	L231-F278 HydrophobicContact CD1-CB 3.85Å; L231-F278 HydrophobicContact CD1-CD1 3.95Å; L231-F278 HydrophobicContact CD1-CG 4.3Å; L273-F278 HydrophobicContact CD2-CB 4Å; L273-F278 PolarHBondContact O-N 2.95Å; A276-F278 HydrophobicContact CB-CD2 3.65Å; A276-F278 HydrophobicContact CB-CE2 4.17Å; A276-F278 WeakPolarHBondContact O-CD2 3.5Å; A276-F278 VanDerWaalsContact O-CE2 3.23Å; A276-F278 WeakPolarHBondContact O-CE2 3.35Å; A276-F278 PolarHBondContact O-N 3.38Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.26Å; F278-K281 HydrophobicContact CD1-CB 4.16Å; F278-K281 HydrophobicContact CD1-CD 3.36Å; F278-K281 HydrophobicContact CD1-CG 4.31Å; F278-K281 HydrophobicContact CE1-CD 3.51Å; F278-K281 HydrophobicContact CG-CD 4.17Å; F278-K281 HydrophobicContact CZ-CD 4.44Å; F278-K281 PolarHBondContact O-N 3.45Å; F278-K281 VanDerWaalsContact O-N 3.16Å; F278-M286 HydrophobicContact CD1-CE 3.78Å; F278-M286 HydrophobicContact CD1-SD 4.38Å; F278-M286 HydrophobicContact CE1-CE 3.74Å; F278-D290 HydrophobicContact CE1-CB 3.96Å; F278-D290 HydrophobicContact CZ-CB 4.35Å; F278-D290 VanDerWaalsContact CZ-O 3.26Å; F278-D290 WeakPolarHBondContact CZ-O 3.46Å; F278-V293 HydrophobicContact CE2-CB 4.3Å; F278-V293 HydrophobicContact CE2-CG1 3.85Å; F278-V293 HydrophobicContact CZ-CB 4.26Å; F278-V293 HydrophobicContact CZ-CG1 4.25Å; F278-L294 HydrophobicContact CB-CD1 3.94Å; F278-L294 HydrophobicContact CD1-CB 4.44Å; F278-L294 HydrophobicContact CD1-CD1 4.43Å; F278-L294 HydrophobicContact CD1-CD2 4.4Å; F278-L294 HydrophobicContact CD2-CB 4.36Å; F278-L294 HydrophobicContact CD2-CD1 3.92Å; F278-L294 HydrophobicContact CE1-CB 4.38Å; F278-L294 HydrophobicContact CE2-CB 4.28Å; F278-L294 HydrophobicContact CG-CB 4.46Å; F278-L294 HydrophobicContact CG-CD1 3.83Å; F278-L294 HydrophobicContact CZ-CB 4.3Å
279	N	93.4	Very high	96.8	Very high	46 Å²	46	63.9 Å²	63.9	25%	0.246	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-46.4	-173.6	-165	34.8	0	0	0	113.1	T230 S232 L273	T230-N279 WeakPolarHBondContact CB-O 3.26Å; S232-N279 WeakPolarHBondContact CB-O 3.46Å; S232-N279 WeakPolarHBondContact CB-OD1 3.37Å; S232-N279 PolarHBondContact N-O 3.47Å; S232-N279 PolarHBondContact OG-OD1 2.98Å; L273-N279 HydrophobicContact CB-CB 4.43Å; L273-N279 PolarHBondContact O-N 3.04Å
280	E	95.8	Very high	96.8	Very high	120 Å²	120	65.4 Å²	65.4	56%	0.561	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-7.5	-178.3	-64.2	-56.7	137.9	0	0	114.1	T230 F278	T230-E280 WeakPolarHBondContact CG2-OE2 2.93Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.26Å
281	K	97.4	Very high	96.9	Very high	71 Å²	71	62 Å²	62	31%	0.309	31%	0.31	S	S	.	.			trans	-66.7	154.8	176.5	-77.4	-175.1	173.6	-177.6	0	110.5	T230 L231 F278 M286 D290	T230-K281 CarbonylContact C-O 3.5Å; T230-K281 WeakPolarHBondContact CA-O 3.34Å; L231-K281 HydrophobicContact CD1-CB 4.45Å; L231-K281 PolarHBondContact N-O 2.98Å; F278-K281 HydrophobicContact CD1-CB 4.16Å; F278-K281 HydrophobicContact CD1-CD 3.36Å; F278-K281 HydrophobicContact CD1-CG 4.31Å; F278-K281 HydrophobicContact CE1-CD 3.51Å; F278-K281 HydrophobicContact CG-CD 4.17Å; F278-K281 HydrophobicContact CZ-CD 4.44Å; F278-K281 PolarHBondContact O-N 3.45Å; F278-K281 VanDerWaalsContact O-N 3.16Å; K281-M286 HydrophobicContact CB-CG 4.44Å; K281-M286 HydrophobicContact CB-SD 4.22Å; K281-D290 IonicContact NZ-OD1 2.72Å; K281-D290 PolarHBondContact NZ-OD1 3.17Å
282	R	98.2	Very high	96.9	Very high	106 Å²	106	61.8 Å²	61.8	40%	0.4	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-126.5	133.2	-177.1	-60.8	179.1	175.1	80.1	3.3	109.2	N228 K229 R284 S285 M286	N228-R282 VanDerWaalsContact O-CD 3.3Å; N228-R282 WeakPolarHBondContact O-CD 3.5Å; N228-R282 PolarHBondContact O-NE 3.44Å; K229-R282 WeakPolarHBondContact O-CG 3.47Å; R282-R284 HydrophobicContact CB-CG 4.17Å; R282-R284 PolarHBondContact O-N 2.87Å; R282-S285 PolarHBondContact O-N 3.25Å; R282-S285 PolarHBondContact O-OG 3.29Å; R282-M286 PolarHBondContact O-N 3.3Å
283	A	97.8	Very high	97	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.008	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-54.7	-28.4	-179	0	0	0	0	0	113.6	Y165 A223 F224 K227 S285 F291	Y165-A283 WeakPolarHBondContact CE1-O 3.44Å; A223-A283 HydrophobicContact CB-CB 3.9Å; A223-A283 WeakPolarHBondContact O-CB 3.01Å; F224-A283 HydrophobicContact CD1-CB 4.37Å; F224-A283 HydrophobicContact CD2-CB 4.11Å; F224-A283 HydrophobicContact CE1-CB 4.33Å; F224-A283 HydrophobicContact CE2-CB 4.08Å; F224-A283 HydrophobicContact CG-CB 4.29Å; F224-A283 HydrophobicContact CZ-CB 4.2Å; F224-A283 WeakPolarHBondContact CZ-O 3.41Å; K227-A283 HydrophobicContact CB-CB 4.44Å; A283-S285 PolarHBondContact O-N 3.27Å; A283-S285 VanDerWaalsContact O-N 3.16Å; A283-F291 HydrophobicContact CB-CZ 4.11Å
284	R	97.8	Very high	97	Very high	120 Å²	120	65.1 Å²	65.1	45%	0.453	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60	-24	178.4	74.7	175.7	-144.8	174.9	5.3	114.4	G161 Y165 K227 N228 R282	G161-R284 WeakPolarHBondContact CA-O 3.34Å; G161-R284 PolarHBondContact N-O 3.24Å; Y165-R284 VanDerWaalsContact CD1-O 3.31Å; Y165-R284 WeakPolarHBondContact CD1-O 3.49Å; K227-R284 HydrophobicContact CB-CB 4.33Å; K227-R284 HydrophobicContact CD-CB 4.49Å; K227-R284 HydrophobicContact CG-CB 4.28Å; K227-R284 WeakPolarHBondContact O-CB 3.31Å; K227-R284 PolarHBondContact O-N 3.13Å; N228-R284 WeakPolarHBondContact OD1-CD 3.35Å; R282-R284 HydrophobicContact CB-CG 4.17Å; R282-R284 PolarHBondContact O-N 2.87Å
285	S	97.4	Very high	97.1	Very high	65 Å²	65	58.6 Å²	58.6	46%	0.455	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-120.5	-0.6	-173.5	56.1	0	0	0	0	113.4	R282 A283	R282-S285 PolarHBondContact O-N 3.25Å; R282-S285 PolarHBondContact O-OG 3.29Å; A283-S285 PolarHBondContact O-N 3.27Å; A283-S285 VanDerWaalsContact O-N 3.16Å
286	M	98.3	Very high	97.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.289	C	S	.	.			trans	-81.9	137.8	177.2	-71.1	165.7	63.3	0	0	110	Y165 L231 F278 K281 R282 D290 F291 L294	Y165-M286 WeakPolarHBondContact CE1-O 3.36Å; Y165-M286 PolarHBondContact OH-O 3.06Å; L231-M286 HydrophobicContact CD1-CE 3.86Å; L231-M286 HydrophobicContact CD1-SD 3.63Å; L231-M286 HydrophobicContact CD2-SD 4.26Å; L231-M286 HydrophobicContact CG-SD 4.12Å; F278-M286 HydrophobicContact CD1-CE 3.78Å; F278-M286 HydrophobicContact CD1-SD 4.38Å; F278-M286 HydrophobicContact CE1-CE 3.74Å; K281-M286 HydrophobicContact CB-CG 4.44Å; K281-M286 HydrophobicContact CB-SD 4.22Å; R282-M286 PolarHBondContact O-N 3.3Å; M286-D290 VanDerWaalsContact CA-OD2 3.3Å; M286-D290 WeakPolarHBondContact CA-OD2 3.39Å; M286-D290 HydrophobicContact CB-CB 3.83Å; M286-D290 HydrophobicContact CE-CB 4.07Å; M286-D290 HydrophobicContact CG-CB 4.12Å; M286-F291 HydrophobicContact CB-CD2 3.92Å; M286-F291 HydrophobicContact CB-CE2 3.62Å; M286-F291 HydrophobicContact CE-CD1 4.2Å; M286-F291 HydrophobicContact CE-CD2 3.9Å; M286-F291 HydrophobicContact CE-CE1 4.12Å; M286-F291 HydrophobicContact CE-CE2 3.86Å; M286-F291 HydrophobicContact CE-CG 4.09Å; M286-F291 HydrophobicContact CE-CZ 3.96Å; M286-F291 HydrophobicContact SD-CE2 4.3Å; M286-F291 HydrophobicContact SD-CZ 4.34Å; M286-L294 HydrophobicContact CE-CD2 3.87Å
287	D	98.1	Very high	97.3	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.364	29%	0.287	S	S	.	.			trans	-93.1	-171.9	174.9	68.4	19	0	0	0	112.3	P160 D289 D290 F291	P160-D287 HydrophobicContact CG-CB 3.8Å; D287-D289 VanDerWaalsContact C-N 3.34Å; D287-D289 PolarHBondContact OD1-N 2.87Å; D287-D290 PolarHBondContact N-OD2 2.93Å; D287-D290 PolarHBondContact OD1-N 3.38Å; D287-F291 WeakPolarHBondContact O-CD2 3.33Å; D287-F291 PolarHBondContact O-N 3.27Å
288	I	97.5	Very high	97.4	Very high	35 Å²	35	51.2 Å²	51.2	18%	0.179	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-41.7	-179.5	-66.8	167.4	0	0	0	110.7	I170 Q173 L174 W216 F291 M292	I170-I288 HydrophobicContact CG1-CG1 4.12Å; Q173-I288 HydrophobicContact CB-CD1 4.02Å; Q173-I288 WeakPolarHBondContact O-CD1 3.5Å; L174-I288 HydrophobicContact CD1-CG2 3.95Å; W216-I288 HydrophobicContact CH2-CG2 3.96Å; I288-F291 PolarHBondContact O-N 3.45Å; I288-M292 HydrophobicContact CG2-CE 4.03Å; I288-M292 HydrophobicContact CG2-CG 4.29Å; I288-M292 VanDerWaalsContact O-CG 3.29Å; I288-M292 WeakPolarHBondContact O-CG 3.38Å; I288-M292 PolarHBondContact O-N 3.18Å
289	D	97	Very high	97.4	Very high	114 Å²	114	53.3 Å²	53.3	61%	0.61	27%	0.266	S	S	*	.	H	α-helix	trans	-70.3	-38.6	-174.9	-66.8	-22.4	0	0	0	110.9	D287 F291 M292 V293	D287-D289 VanDerWaalsContact C-N 3.34Å; D287-D289 PolarHBondContact OD1-N 2.87Å; D289-F291 VanDerWaalsContact C-N 3.3Å; D289-F291 PolarHBondContact O-N 3.45Å; D289-M292 WeakPolarHBondContact O-CB 3.4Å; D289-M292 PolarHBondContact O-N 3.21Å; D289-M292 VanDerWaalsContact O-N 3.13Å; D289-V293 WeakPolarHBondContact O-CG2 3.34Å; D289-V293 PolarHBondContact O-N 3.29Å
290	D	98	Very high	97.5	Very high	36 Å²	36	55.1 Å²	55.1	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-52.7	-47.7	169.3	-86.3	-43.2	0	0	0	111.7	F278 K281 M286 D287 L294	F278-D290 HydrophobicContact CE1-CB 3.96Å; F278-D290 HydrophobicContact CZ-CB 4.35Å; F278-D290 VanDerWaalsContact CZ-O 3.26Å; F278-D290 WeakPolarHBondContact CZ-O 3.46Å; K281-D290 IonicContact NZ-OD1 2.72Å; K281-D290 PolarHBondContact NZ-OD1 3.17Å; M286-D290 VanDerWaalsContact CA-OD2 3.3Å; M286-D290 WeakPolarHBondContact CA-OD2 3.39Å; M286-D290 HydrophobicContact CB-CB 3.83Å; M286-D290 HydrophobicContact CE-CB 4.07Å; M286-D290 HydrophobicContact CG-CB 4.12Å; D287-D290 PolarHBondContact N-OD2 2.93Å; D287-D290 PolarHBondContact OD1-N 3.38Å; D290-L294 WeakPolarHBondContact O-CB 3.44Å; D290-L294 PolarHBondContact O-N 2.92Å
291	F	98.1	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.7	-31	178.7	-87.1	-82.2	0	0	0	112.9	I170 W216 L219 V220 A223 F224 A283 M286 D287 I288 D289 L295	I170-F291 HydrophobicContact CD1-CB 4.24Å; I170-F291 HydrophobicContact CD1-CD2 3.11Å; I170-F291 HydrophobicContact CD1-CE2 3.48Å; I170-F291 VanDerWaalsContact CD1-CE2 3.48Å; I170-F291 HydrophobicContact CD1-CG 3.78Å; I170-F291 HydrophobicContact CD1-CZ 4.42Å; W216-F291 HydrophobicContact CH2-CB 3.38Å; W216-F291 HydrophobicContact CH2-CG 4.36Å; W216-F291 HydrophobicContact CZ2-CB 4.12Å; W216-F291 HydrophobicContact CZ3-CB 3.63Å; L219-F291 HydrophobicContact CD2-CD1 3.95Å; L219-F291 HydrophobicContact CG-CD1 4.05Å; L219-F291 HydrophobicContact CG-CE1 4.33Å; V220-F291 HydrophobicContact CG2-CD1 3.81Å; V220-F291 HydrophobicContact CG2-CE1 3.93Å; V220-F291 HydrophobicContact CG2-CG 4.34Å; A223-F291 HydrophobicContact CB-CE1 3.65Å; A223-F291 HydrophobicContact CB-CZ 3.8Å; F224-F291 HydrophobicContact CD2-CZ 4.12Å; F224-F291 HydrophobicContact CE2-CE1 4.45Å; F224-F291 AromaticContact CE2-CE2 3.76Å; F224-F291 HydrophobicContact CE2-CE2 3.76Å; F224-F291 AromaticContact CE2-CZ 3.5Å; F224-F291 HydrophobicContact CE2-CZ 3.5Å; F224-F291 VanDerWaalsContact CE2-CZ 3.5Å; F224-F291 HydrophobicContact CZ-CE2 4.29Å; F224-F291 HydrophobicContact CZ-CZ 4.37Å; A283-F291 HydrophobicContact CB-CZ 4.11Å; M286-F291 HydrophobicContact CB-CD2 3.92Å; M286-F291 HydrophobicContact CB-CE2 3.62Å; M286-F291 HydrophobicContact CE-CD1 4.2Å; M286-F291 HydrophobicContact CE-CD2 3.9Å; M286-F291 HydrophobicContact CE-CE1 4.12Å; M286-F291 HydrophobicContact CE-CE2 3.86Å; M286-F291 HydrophobicContact CE-CG 4.09Å; M286-F291 HydrophobicContact CE-CZ 3.96Å; M286-F291 HydrophobicContact SD-CE2 4.3Å; M286-F291 HydrophobicContact SD-CZ 4.34Å; D287-F291 WeakPolarHBondContact O-CD2 3.33Å; D287-F291 PolarHBondContact O-N 3.27Å; I288-F291 PolarHBondContact O-N 3.45Å; D289-F291 VanDerWaalsContact C-N 3.3Å; D289-F291 PolarHBondContact O-N 3.45Å; F291-L295 VanDerWaalsContact O-CB 3.24Å; F291-L295 WeakPolarHBondContact O-CB 3.21Å; F291-L295 PolarHBondContact O-N 2.84Å
292	M	97	Very high	97.4	Very high	48 Å²	48	47.4 Å²	47.4	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-47.9	173.4	-69	-66.8	-167.6	0	0	111.4	L174 P209 V211 W216 I288 D289 L294 L295 H296	L174-M292 HydrophobicContact CD1-CE 3.37Å; P209-M292 HydrophobicContact CB-CE 4.1Å; V211-M292 HydrophobicContact CG2-CE 3.57Å; V211-M292 HydrophobicContact CG2-SD 3.47Å; V211-M292 WeakPolarHBondContact CG2-SD 3.43Å; W216-M292 HydrophobicContact CE3-SD 4.13Å; W216-M292 HydrophobicContact CZ3-CE 4.05Å; W216-M292 HydrophobicContact CZ3-CG 3.97Å; W216-M292 HydrophobicContact CZ3-SD 3.62Å; I288-M292 HydrophobicContact CG2-CE 4.03Å; I288-M292 HydrophobicContact CG2-CG 4.29Å; I288-M292 VanDerWaalsContact O-CG 3.29Å; I288-M292 WeakPolarHBondContact O-CG 3.38Å; I288-M292 PolarHBondContact O-N 3.18Å; D289-M292 WeakPolarHBondContact O-CB 3.4Å; D289-M292 PolarHBondContact O-N 3.21Å; D289-M292 VanDerWaalsContact O-N 3.13Å; M292-L294 VanDerWaalsContact C-N 3.33Å; M292-L295 PolarHBondContact O-N 2.94Å; M292-H296 WeakPolarHBondContact O-CB 3.36Å; M292-H296 PolarHBondContact O-N 3.43Å
293	V	97.5	Very high	97.4	Very high	81 Å²	81	42.3 Å²	42.3	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-45	177.9	175.1	0	0	0	0	110	F278 D289 H296 A297	F278-V293 HydrophobicContact CE2-CB 4.3Å; F278-V293 HydrophobicContact CE2-CG1 3.85Å; F278-V293 HydrophobicContact CZ-CB 4.26Å; F278-V293 HydrophobicContact CZ-CG1 4.25Å; D289-V293 WeakPolarHBondContact O-CG2 3.34Å; D289-V293 PolarHBondContact O-N 3.29Å; V293-H296 PolarHBondContact O-N 3.1Å; V293-A297 WeakPolarHBondContact O-CB 3.37Å; V293-A297 PolarHBondContact O-N 2.84Å
294	L	97.8	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-45.3	177.7	-177.1	59.1	0	0	0	112.3	L219 L231 L273 F278 M286 D290 M292 H296 A297 F298	L219-L294 HydrophobicContact CD1-CD2 3.91Å; L219-L294 HydrophobicContact CD1-CG 4.25Å; L219-L294 HydrophobicContact CD2-CB 4.42Å; L219-L294 HydrophobicContact CD2-CD2 4.3Å; L219-L294 HydrophobicContact CD2-CG 4.21Å; L231-L294 HydrophobicContact CD1-CD2 3.59Å; L273-L294 HydrophobicContact CD2-CD1 3.78Å; F278-L294 HydrophobicContact CB-CD1 3.94Å; F278-L294 HydrophobicContact CD1-CB 4.44Å; F278-L294 HydrophobicContact CD1-CD1 4.43Å; F278-L294 HydrophobicContact CD1-CD2 4.4Å; F278-L294 HydrophobicContact CD2-CB 4.36Å; F278-L294 HydrophobicContact CD2-CD1 3.92Å; F278-L294 HydrophobicContact CE1-CB 4.38Å; F278-L294 HydrophobicContact CE2-CB 4.28Å; F278-L294 HydrophobicContact CG-CB 4.46Å; F278-L294 HydrophobicContact CG-CD1 3.83Å; F278-L294 HydrophobicContact CZ-CB 4.3Å; M286-L294 HydrophobicContact CE-CD2 3.87Å; D290-L294 WeakPolarHBondContact O-CB 3.44Å; D290-L294 PolarHBondContact O-N 2.92Å; M292-L294 VanDerWaalsContact C-N 3.33Å; L294-H296 VanDerWaalsContact C-N 3.32Å; L294-H296 PolarHBondContact O-N 3.35Å; L294-A297 PolarHBondContact O-N 3.43Å; L294-F298 HydrophobicContact CD1-CD2 3.86Å; L294-F298 HydrophobicContact CD1-CE2 3.47Å; L294-F298 VanDerWaalsContact CD1-CE2 3.47Å; L294-F298 HydrophobicContact CD1-CZ 4.44Å; L294-F298 HydrophobicContact CD2-CE2 4.45Å; L294-F298 HydrophobicContact CG-CD2 4Å; L294-F298 HydrophobicContact CG-CE2 3.84Å; L294-F298 VanDerWaalsContact O-CD2 3.27Å; L294-F298 WeakPolarHBondContact O-CD2 3.47Å; L294-F298 PolarHBondContact O-N 3.37Å; L294-F298 VanDerWaalsContact O-N 3.08Å
295	L	97.9	Very high	97.3	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-42	177.2	-177.1	58.8	0	0	0	111.3	V211 E215 W216 L219 F291 M292 F298 N299 F305	V211-L295 HydrophobicContact CG1-CD2 4.02Å; E215-L295 HydrophobicContact CB-CD1 4.32Å; W216-L295 HydrophobicContact CB-CD2 4.4Å; W216-L295 HydrophobicContact CE3-CD2 4.23Å; L219-L295 HydrophobicContact CB-CD1 4.46Å; L219-L295 HydrophobicContact CD2-CB 3.71Å; L219-L295 HydrophobicContact CD2-CD1 4.11Å; L219-L295 HydrophobicContact CD2-CG 4.46Å; F291-L295 VanDerWaalsContact O-CB 3.24Å; F291-L295 WeakPolarHBondContact O-CB 3.21Å; F291-L295 PolarHBondContact O-N 2.84Å; M292-L295 PolarHBondContact O-N 2.94Å; L295-F298 PolarHBondContact O-N 3.5Å; L295-N299 WeakPolarHBondContact O-CB 3.41Å; L295-N299 VanDerWaalsContact O-CG 3.28Å; L295-N299 PolarHBondContact O-N 3.34Å; L295-N299 PolarHBondContact O-ND2 3.35Å; L295-F305 HydrophobicContact CD1-CD2 3.72Å; L295-F305 HydrophobicContact CD1-CE2 3.87Å
296	H	97.2	Very high	97	Very high	126 Å²	126	40.6 Å²	40.6	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-62.9	-41.9	176	178.8	65.1	0	0	0	112.1	M292 V293 L294 N299 S300	M292-H296 WeakPolarHBondContact O-CB 3.36Å; M292-H296 PolarHBondContact O-N 3.43Å; V293-H296 PolarHBondContact O-N 3.1Å; L294-H296 VanDerWaalsContact C-N 3.32Å; L294-H296 PolarHBondContact O-N 3.35Å; H296-N299 PolarHBondContact O-N 3.41Å; H296-S300 PolarHBondContact CE1-OG 3.48Å; H296-S300 VanDerWaalsContact CE1-OG 3.29Å; H296-S300 VanDerWaalsContact O-CB 3.28Å; H296-S300 WeakPolarHBondContact O-CB 3.22Å; H296-S300 PolarHBondContact O-N 3.11Å; H296-S300 PolarHBondContact O-OG 3.39Å
297	A	97.7	Very high	96.9	Very high	23 Å²	23	42.6 Å²	42.6	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-45.7	177.1	0	0	0	0	0	111.8	V272 A276 V293 L294 A301	V272-A297 HydrophobicContact CG1-CB 4.04Å; A276-A297 HydrophobicContact CB-CB 3.92Å; V293-A297 WeakPolarHBondContact O-CB 3.37Å; V293-A297 PolarHBondContact O-N 2.84Å; L294-A297 PolarHBondContact O-N 3.43Å; A297-A301 PolarHBondContact O-N 2.99Å
298	F	97.9	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-48.8	175.3	-81.5	-65.5	0	0	0	112.6	L219 F235 I269 V272 L273 L294 L295 S300 A301 G302 I303 F305	L219-F298 HydrophobicContact CD1-CD2 4.44Å; L219-F298 HydrophobicContact CD1-CE2 4.34Å; F235-F298 HydrophobicContact CD1-CZ 4.35Å; F235-F298 HydrophobicContact CE1-CE1 4.39Å; F235-F298 HydrophobicContact CE1-CE2 4.1Å; F235-F298 AromaticContact CE1-CZ 3.74Å; F235-F298 HydrophobicContact CE1-CZ 3.74Å; F235-F298 HydrophobicContact CE2-CE2 4.14Å; F235-F298 HydrophobicContact CE2-CZ 4.05Å; F235-F298 AromaticContact CZ-CE2 3.58Å; F235-F298 HydrophobicContact CZ-CE2 3.58Å; F235-F298 AromaticContact CZ-CZ 3.59Å; F235-F298 HydrophobicContact CZ-CZ 3.59Å; I269-F298 HydrophobicContact CG1-CE1 4.4Å; I269-F298 HydrophobicContact CG2-CE1 4.07Å; I269-F298 HydrophobicContact CG2-CZ 4.19Å; V272-F298 HydrophobicContact CB-CD1 4.42Å; V272-F298 HydrophobicContact CB-CE1 4.28Å; V272-F298 HydrophobicContact CG1-CD1 3.83Å; V272-F298 HydrophobicContact CG1-CE1 3.98Å; V272-F298 HydrophobicContact CG1-CG 4.17Å; V272-F298 HydrophobicContact CG1-CZ 4.46Å; L273-F298 HydrophobicContact CD2-CE2 4.09Å; L273-F298 HydrophobicContact CD2-CZ 3.84Å; L273-F298 HydrophobicContact CG-CZ 4.11Å; L294-F298 HydrophobicContact CD1-CD2 3.86Å; L294-F298 HydrophobicContact CD1-CE2 3.47Å; L294-F298 VanDerWaalsContact CD1-CE2 3.47Å; L294-F298 HydrophobicContact CD1-CZ 4.44Å; L294-F298 HydrophobicContact CD2-CE2 4.45Å; L294-F298 HydrophobicContact CG-CD2 4Å; L294-F298 HydrophobicContact CG-CE2 3.84Å; L294-F298 VanDerWaalsContact O-CD2 3.27Å; L294-F298 WeakPolarHBondContact O-CD2 3.47Å; L294-F298 PolarHBondContact O-N 3.37Å; L294-F298 VanDerWaalsContact O-N 3.08Å; L295-F298 PolarHBondContact O-N 3.5Å; F298-S300 VanDerWaalsContact C-N 3.3Å; F298-S300 PolarHBondContact O-N 3.18Å; F298-A301 CarbonylContact O-C 3.47Å; F298-A301 WeakPolarHBondContact O-CA 3.23Å; F298-A301 WeakPolarHBondContact O-CB 3.47Å; F298-A301 PolarHBondContact O-N 2.85Å; F298-G302 PolarHBondContact O-N 3.44Å; F298-I303 CarbonylContact C-O 3.51Å; F298-I303 HydrophobicContact CB-CB 4.27Å; F298-I303 HydrophobicContact CB-CG2 4.47Å; F298-I303 HydrophobicContact CD1-CB 3.96Å; F298-I303 HydrophobicContact CD1-CD1 4.01Å; F298-I303 HydrophobicContact CD1-CG2 3.8Å; F298-I303 HydrophobicContact CE1-CD1 4.39Å; F298-I303 HydrophobicContact CG-CG2 4.48Å; F298-I303 PolarHBondContact O-N 3.09Å; F298-F305 HydrophobicContact CB-CE2 3.81Å; F298-F305 HydrophobicContact CB-CZ 4.23Å; F298-F305 HydrophobicContact CD1-CZ 4.42Å; F298-F305 AromaticContact CD2-CE2 3.95Å; F298-F305 HydrophobicContact CD2-CE2 3.95Å; F298-F305 AromaticContact CD2-CZ 3.65Å; F298-F305 HydrophobicContact CD2-CZ 3.65Å; F298-F305 HydrophobicContact CE2-CZ 4.04Å; F298-F305 AromaticContact CG-CE2 3.96Å; F298-F305 HydrophobicContact CG-CE2 3.96Å; F298-F305 AromaticContact CG-CZ 3.85Å; F298-F305 HydrophobicContact CG-CZ 3.85Å
299	N	96.9	Very high	96.8	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-39.2	179.8	-74.7	-20.3	0	0	0	111.9	L295 H296 A301 G302 I303 H304	L295-N299 WeakPolarHBondContact O-CB 3.41Å; L295-N299 VanDerWaalsContact O-CG 3.28Å; L295-N299 PolarHBondContact O-N 3.34Å; L295-N299 PolarHBondContact O-ND2 3.35Å; H296-N299 PolarHBondContact O-N 3.41Å; N299-A301 PolarHBondContact O-N 3.03Å; N299-G302 PolarHBondContact O-N 2.61Å; N299-I303 PolarHBondContact N-O 3.21Å; N299-I303 PolarHBondContact OD1-O 3.04Å; N299-H304 PolarHBondContact OD1-ND1 3.44Å
300	S	96.1	Very high	96.8	Very high	83 Å²	83	37.4 Å²	37.4	58%	0.58	22%	0.22	S	C	*	.	H	α-helix	trans	-67.3	-26.1	177.3	-57.4	0	0	0	0	112.5	H296 F298 G302	H296-S300 PolarHBondContact CE1-OG 3.48Å; H296-S300 VanDerWaalsContact CE1-OG 3.29Å; H296-S300 VanDerWaalsContact O-CB 3.28Å; H296-S300 WeakPolarHBondContact O-CB 3.22Å; H296-S300 PolarHBondContact O-N 3.11Å; H296-S300 PolarHBondContact O-OG 3.39Å; F298-S300 VanDerWaalsContact C-N 3.3Å; F298-S300 PolarHBondContact O-N 3.18Å; S300-G302 VanDerWaalsContact C-N 3.28Å
301	A	96.1	Very high	96.7	Very high	26 Å²	26	37.4 Å²	37.4	22%	0.215	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.4	172.4	0	0	0	0	0	113.6	K268 V272 A297 F298 N299 I303	K268-A301 WeakPolarHBondContact CE-O 3.47Å; K268-A301 PolarHBondContact NZ-O 2.95Å; V272-A301 HydrophobicContact CG2-CB 3.54Å; A297-A301 PolarHBondContact O-N 2.99Å; F298-A301 CarbonylContact O-C 3.47Å; F298-A301 WeakPolarHBondContact O-CA 3.23Å; F298-A301 WeakPolarHBondContact O-CB 3.47Å; F298-A301 PolarHBondContact O-N 2.85Å; N299-A301 PolarHBondContact O-N 3.03Å; A301-I303 VanDerWaalsContact C-N 3.33Å
302	G	95.9	Very high	96.6	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	14	-176.9	0	0	0	0	0	114.4	Y248 H251 F298 N299 S300	Y248-G302 WeakPolarHBondContact CD2-O 3.11Å; H251-G302 WeakPolarHBondContact NE2-CA 3.26Å; F298-G302 PolarHBondContact O-N 3.44Å; N299-G302 PolarHBondContact O-N 2.61Å; S300-G302 VanDerWaalsContact C-N 3.28Å
303	I	96.8	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.236	C	C	.	.			trans	-97.7	120.1	179.1	-61.4	176	0	0	0	109	L244 Y248 I265 K268 I269 V272 F298 N299 A301	L244-I303 HydrophobicContact CB-CG2 4.27Å; L244-I303 HydrophobicContact CD1-CG2 4.32Å; L244-I303 HydrophobicContact CD2-CG2 3.89Å; L244-I303 HydrophobicContact CG-CG2 4.37Å; Y248-I303 HydrophobicContact CD2-CG1 4.11Å; I265-I303 HydrophobicContact CD1-CD1 4.34Å; K268-I303 HydrophobicContact CD-CD1 4.18Å; K268-I303 HydrophobicContact CG-CD1 4.09Å; I269-I303 HydrophobicContact CG1-CD1 4.23Å; V272-I303 HydrophobicContact CG2-CD1 4.49Å; F298-I303 CarbonylContact C-O 3.51Å; F298-I303 HydrophobicContact CB-CB 4.27Å; F298-I303 HydrophobicContact CB-CG2 4.47Å; F298-I303 HydrophobicContact CD1-CB 3.96Å; F298-I303 HydrophobicContact CD1-CD1 4.01Å; F298-I303 HydrophobicContact CD1-CG2 3.8Å; F298-I303 HydrophobicContact CE1-CD1 4.39Å; F298-I303 HydrophobicContact CG-CG2 4.48Å; F298-I303 PolarHBondContact O-N 3.09Å; N299-I303 PolarHBondContact N-O 3.21Å; N299-I303 PolarHBondContact OD1-O 3.04Å; A301-I303 VanDerWaalsContact C-N 3.33Å
304	H	97.3	Very high	96.5	Very high	51 Å²	51	36.2 Å²	36.2	24%	0.236	22%	0.216	C	C	.	.			trans	-120.8	148.3	-177	-65	-66.9	0	0	0	111.3	E215 L244 N247 H251 N299	E215-H304 WeakPolarHBondContact OE1-CB 3.16Å; L244-H304 WeakPolarHBondContact CD2-O 3.29Å; N247-H304 WeakPolarHBondContact CB-O 3.33Å; N247-H304 PolarHBondContact ND2-O 2.69Å; H251-H304 AromaticContact CE1-NE2 3.9Å; H251-H304 AromaticContact ND1-CD2 3.71Å; H251-H304 AromaticContact ND1-NE2 3.32Å; H251-H304 PolarHBondContact ND1-NE2 3.24Å; N299-H304 PolarHBondContact OD1-ND1 3.44Å
305	F	96.6	Very high	96.4	Very high	11 Å²	11	39.2 Å²	39.2	5%	0.048	23%	0.234	C	C	.	.			trans	-98.6	-7.9	-176.6	-63.8	-86.9	0	0	0	113.6	E215 L219 I222 F235 L244 L295 F298	E215-F305 WeakPolarHBondContact O-CB 3.27Å; E215-F305 PolarHBondContact OE1-N 3.46Å; E215-F305 WeakPolarHBondContact OE2-CB 3.37Å; E215-F305 PolarHBondContact OE2-N 3.02Å; L219-F305 HydrophobicContact CB-CD1 4.04Å; L219-F305 HydrophobicContact CB-CD2 3.94Å; L219-F305 HydrophobicContact CB-CE1 3.97Å; L219-F305 HydrophobicContact CB-CE2 3.89Å; L219-F305 HydrophobicContact CB-CG 4.03Å; L219-F305 HydrophobicContact CB-CZ 3.92Å; L219-F305 HydrophobicContact CD1-CE1 3.84Å; L219-F305 HydrophobicContact CD1-CE2 4.1Å; L219-F305 HydrophobicContact CD1-CZ 3.5Å; L219-F305 VanDerWaalsContact CD1-CZ 3.5Å; L219-F305 HydrophobicContact CG-CE2 4.37Å; L219-F305 HydrophobicContact CG-CZ 4.2Å; I222-F305 HydrophobicContact CD1-CD1 3.67Å; I222-F305 HydrophobicContact CD1-CE1 3.72Å; F235-F305 AromaticContact CE1-CE1 3.83Å; F235-F305 HydrophobicContact CE1-CE1 3.83Å; F235-F305 HydrophobicContact CE1-CZ 4.12Å; F235-F305 HydrophobicContact CZ-CE1 4.17Å; F235-F305 HydrophobicContact CZ-CZ 4.23Å; L244-F305 HydrophobicContact CD1-CE1 4.48Å; L244-F305 HydrophobicContact CD2-CD1 3.83Å; L244-F305 HydrophobicContact CD2-CE1 3.91Å; L244-F305 HydrophobicContact CD2-CG 4.46Å; L295-F305 HydrophobicContact CD1-CD2 3.72Å; L295-F305 HydrophobicContact CD1-CE2 3.87Å; F298-F305 HydrophobicContact CB-CE2 3.81Å; F298-F305 HydrophobicContact CB-CZ 4.23Å; F298-F305 HydrophobicContact CD1-CZ 4.42Å; F298-F305 AromaticContact CD2-CE2 3.95Å; F298-F305 HydrophobicContact CD2-CE2 3.95Å; F298-F305 AromaticContact CD2-CZ 3.65Å; F298-F305 HydrophobicContact CD2-CZ 3.65Å; F298-F305 HydrophobicContact CE2-CZ 4.04Å; F298-F305 AromaticContact CG-CE2 3.96Å; F298-F305 HydrophobicContact CG-CE2 3.96Å; F298-F305 AromaticContact CG-CZ 3.85Å; F298-F305 HydrophobicContact CG-CZ 3.85Å
306	S	90.4	Very high	96.3	Very high	88 Å²	88	41.8 Å²	41.8	62%	0.615	25%	0.251	S	S	*	.			trans	-128.3	0	173	54.5	0	0	0	0	113.5	E215	E215-S306 VanDerWaalsContact CD-OG 3.29Å; E215-S306 WeakPolarHBondContact CG-OG 3.3Å; E215-S306 PolarHBondContact OE1-N 3.33Å; E215-S306 PolarHBondContact OE1-OG 3.38Å

Retrieved 306 of 306 residues in 470.6 ms (Link to these results)

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