A0A060WGY2_ONCMY Loading...

Pseudouridylate synthase 1 homolog

Pseudouridylate synthase that catalyzes pseudouridylation of tRNAs and mRNAs. Acts on positions 27/28 in the anticodon stem and also positions 34 and 36 in the anticodon of an intron containing tRNA. Also catalyzes pseudouridylation of mRNAs: mediates pseudouridylation of mRNAs with the consensus sequence 5'-UGUAG-3'. Acts as a regulator of pre-mRNA splicing by mediating pseudouridylation of pre-mRNAs at locations associated with alternatively spliced regions. Pseudouridylation of pre-mRNAs near splice sites directly regulates mRNA splicing and mRNA 3'-end processing. Involved in regulation of nuclear receptor activity through pseudouridylation of SRA1 mRNA.

AlphaFold DB , UniProt , Accession A0A060WGY2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 392 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	29.1	Very low	231 Å²	231	143.8 Å²	143.8	100%	1.138	82%	0.824	S	S	*	*				0	114.2	0	-65.8	165.1	178.3	0	0	105
2	M	30.2	Very low	29.1	Very low	163 Å²	163	144.2 Å²	144.2	80%	0.803	82%	0.819	S	S	*	*				62.2	141.1	68.4	-67.5	172.6	140.5	0	0	110.5
3	S	30.4	Very low	29	Very low	101 Å²	101	147.7 Å²	147.7	71%	0.706	82%	0.819	S	S	*	*			cis	-173.9	165.8	1.6	42.8	0	0	0	0	111
4	E	33.2	Very low	28.9	Very low	141 Å²	141	145 Å²	145	66%	0.659	81%	0.812	S	S	*	*			cis	-162.8	159	-27.3	-120.1	89.4	-105.2	0	0	108.8
5	E	30.1	Very low	28.7	Very low	197 Å²	197	145 Å²	145	92%	0.921	81%	0.808	S	S	*	*			trans	64.6	164	151.5	-69.1	-170.8	164.3	0	0	125.3
6	G	27.1	Very low	28.5	Very low	71 Å²	71	147.8 Å²	147.8	73%	0.732	81%	0.809	S	S	*	*			trans	155.2	72.4	176	0	0	0	0	0	111.4
7	S	29.3	Very low	28.3	Very low	129 Å²	129	151.9 Å²	151.9	90%	0.902	81%	0.81	S	S	*	*				64.5	127.7	88.7	-162.7	0	0	0	0	115.1
8	G	26.3	Very low	28.4	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	81%	0.807	S	S	*	*			trans	-112.6	-172.9	-177.7	0	0	0	0	0	113.7
9	N	27.5	Very low	28.4	Very low	156 Å²	156	151.4 Å²	151.4	83%	0.834	81%	0.806	S	S	*	*			trans	-150.3	152.2	167.2	-152.4	-1.8	0	0	0	113.7
10	M	25.6	Very low	28.4	Very low	169 Å²	169	153.6 Å²	153.6	83%	0.833	81%	0.811	S	S	*	*			trans	-94.3	178.3	178.3	-72.2	-175.4	-92.6	0	0	112.4
11	L	26.9	Very low	28.2	Very low	152 Å²	152	150.1 Å²	150.1	80%	0.796	81%	0.812	S	S	*	*			trans	144.8	138.8	148.2	-81.1	155.2	0	0	0	109.2
12	I	28.7	Very low	27.9	Very low	148 Å²	148	147.8 Å²	147.8	76%	0.759	81%	0.805	S	S	*	*			cis	-147.2	155.9	18.2	-62.5	-174.6	0	0	0	111.2
13	K	27.6	Very low	27.7	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.826	80%	0.801	S	S	*	*			trans	-108.3	149.8	159.1	-81.3	-176.3	176.9	177.2	0	111.1
14	P	28.7	Very low	27.5	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	81%	0.809	S	S	*	*				-138	149.3	111.9	36.8	-23.5	0	0	0	112
15	L	24.8	Very low	27.2	Very low	145 Å²	145	146.8 Å²	146.8	76%	0.759	82%	0.82	S	S	*	*				57.4	131.3	63	-76	166.7	0	0	0	111.9
16	K	26.5	Very low	27	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	81%	0.814	S	S	*	*			cis	-173.6	138.9	7.1	-169.5	-176.3	-166.3	-176.9	0	109.2
17	R	24.7	Very low	27.1	Very low	219 Å²	219	146.7 Å²	146.7	83%	0.826	82%	0.821	S	S	*	*			trans	-170.9	150.3	138.2	-127.1	175.1	170.1	142.3	-3.6	112.9
18	V	29.9	Very low	27.2	Very low	124 Å²	124	148.4 Å²	148.4	75%	0.752	82%	0.82	S	S	*	*			trans	-130.3	137.8	172.4	172.4	0	0	0	0	105.6
19	E	27.7	Very low	27.2	Very low	169 Å²	169	147.9 Å²	147.9	79%	0.79	81%	0.814	S	S	*	*			trans	-137.5	143.1	156.4	-74.3	-172.7	170.5	0	0	108.7
20	E	28.2	Very low	27.4	Very low	195 Å²	195	149.5 Å²	149.5	91%	0.911	82%	0.817	S	S	*	*			trans	-96	154.4	-176.5	-61.8	174.5	134.8	0	0	110.8
21	G	26.2	Very low	27.7	Very low	81 Å²	81	149.3 Å²	149.3	84%	0.835	82%	0.817	S	S	*	*			trans	-160.6	117.3	175.7	0	0	0	0	0	112.3
22	N	26.1	Very low	27.9	Very low	182 Å²	182	153.3 Å²	153.3	97%	0.973	82%	0.822	S	S	*	*			trans	-79.9	155.5	-177.5	-126.9	-2.9	0	0	0	112
23	G	25.7	Very low	28.1	Very low	70 Å²	70	155.2 Å²	155.2	72%	0.722	83%	0.825	S	S	*	*			trans	151.7	84.4	160.7	0	0	0	0	0	119.5
24	E	26.9	Very low	28.3	Very low	187 Å²	187	156 Å²	156	87%	0.874	83%	0.828	S	S	*	*			trans	37.4	137.8	142.8	-61.9	-169.8	139	0	0	125.7
25	S	26.4	Very low	28.4	Very low	127 Å²	127	158.7 Å²	158.7	89%	0.888	84%	0.836	S	S	*	*			trans	81.4	132.6	142	77.4	0	0	0	0	120.3
26	G	27.2	Very low	28.7	Very low	78 Å²	78	161.4 Å²	161.4	80%	0.804	84%	0.841	S	S	*	*			trans	152.8	65.6	175	0	0	0	0	0	114.8	N28	G26-N28 PolarHBondContact O-N 3.48Å
27	E	28.8	Very low	29	Very low	189 Å²	189	157.5 Å²	157.5	88%	0.883	84%	0.838	S	S	*	*			trans	-65.5	130.1	165.3	-73.7	-174.4	115.4	0	0	110.8
28	N	30.3	Very low	29.4	Very low	165 Å²	165	153.9 Å²	153.9	88%	0.882	84%	0.84	S	S	*	*			trans	-168.3	119.5	130.4	-104.9	-49.4	0	0	0	110.7	G26	G26-N28 PolarHBondContact O-N 3.48Å
29	G	27.3	Very low	29.6	Very low	60 Å²	60	155.6 Å²	155.6	62%	0.619	84%	0.84	S	S	*	*			trans	-94.9	154.3	179.6	0	0	0	0	0	112.7
30	H	30.9	Very low	30.1	Very low	190 Å²	190	153.4 Å²	153.4	88%	0.88	84%	0.84	S	S	*	*			trans	-163.8	86.7	138.6	-94.9	-35.3	0	0	0	111.2	R32	H30-R32 PolarHBondContact O-N 3.01Å
31	I	32.3	Very low	30.8	Very low	166 Å²	166	151.3 Å²	151.3	85%	0.851	84%	0.841	S	S	*	*			trans	-69.7	97.9	163.5	-60.8	174.9	0	0	0	107.6	K33	I31-K33 PolarHBondContact O-N 2.98Å
32	R	32.1	Very low	31.4	Very low	236 Å²	236	150 Å²	150	89%	0.891	83%	0.826	S	S	*	*			trans	-66.1	99.9	172.6	-88.1	-176	165.8	-177.8	-3.9	109.9	H30 K34	H30-R32 PolarHBondContact O-N 3.01Å; R32-K34 PolarHBondContact O-N 3.22Å
33	K	31.7	Very low	32.2	Very low	188 Å²	188	149.3 Å²	149.3	82%	0.817	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-51	121.2	165.9	-72.8	176.2	176.2	173.9	0	109.2	I31 L35	I31-K33 PolarHBondContact O-N 2.98Å; K33-L35 PolarHBondContact O-N 3.21Å
34	K	32.3	Very low	33.5	Very low	206 Å²	206	153.6 Å²	153.6	90%	0.896	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-62.8	117.6	163.7	-78.2	-176.5	174.6	179.8	0	107.9	R32 K36	R32-K34 PolarHBondContact O-N 3.22Å; K34-K36 PolarHBondContact O-N 3.27Å
35	L	31.3	Very low	34.9	Very low	167 Å²	167	155 Å²	155	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.1	123.9	165.4	-97.3	71.9	0	0	0	108	K33 S37	K33-L35 PolarHBondContact O-N 3.21Å; L35-S37 PolarHBondContact O-N 3.29Å
36	K	30.6	Very low	37.1	Very low	201 Å²	201	158.3 Å²	158.3	87%	0.874	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66.1	117.3	159	-82.9	-174.7	169.9	-171.6	0	107	K34 V38	K34-K36 PolarHBondContact O-N 3.27Å; K36-V38 PolarHBondContact O-N 3.35Å
37	S	32.2	Very low	40	Very low	107 Å²	107	158.3 Å²	158.3	75%	0.748	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.1	133.3	160.9	48.5	0	0	0	0	108.7	L35 E39	L35-S37 PolarHBondContact O-N 3.29Å; S37-E39 PolarHBondContact O-N 3.48Å
38	V	34.1	Very low	43	Very low	143 Å²	143	152.4 Å²	152.4	87%	0.867	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.6	179.6	179.6	0	0	0	0	109.4	K36	K36-V38 PolarHBondContact O-N 3.35Å
39	E	33.6	Very low	46.1	Very low	161 Å²	161	148.7 Å²	148.7	75%	0.752	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69.9	136.8	173.7	-66.8	-175.7	164.3	0	0	109.6	S37 T41	S37-E39 PolarHBondContact O-N 3.48Å; E39-T41 PolarHBondContact O-N 3.14Å; E39-T41 VanDerWaalsContact O-N 3.14Å
40	P	36.9	Very low	49.4	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	75%	0.747	S	S	*	*			trans	-67.4	115.1	170.8	26.7	-29.9	0	0	0	108.7	G42	P40-G42 VanDerWaalsContact C-N 3.27Å; P40-G42 PolarHBondContact O-N 2.82Å
41	T	42.9	Very low	52.6	Low	151 Å²	151	143.8 Å²	143.8	93%	0.926	71%	0.708	S	S	*	*			trans	-70.3	82.9	173.5	49.6	0	0	0	0	110.1	E39	E39-T41 PolarHBondContact O-N 3.14Å; E39-T41 VanDerWaalsContact O-N 3.14Å
42	G	39.2	Very low	55.7	Low	52 Å²	52	135.9 Å²	135.9	54%	0.536	67%	0.668	S	S	.	*			trans	-137.5	117.9	172.4	0	0	0	0	0	109.3	P40 E44	P40-G42 VanDerWaalsContact C-N 3.27Å; P40-G42 PolarHBondContact O-N 2.82Å; G42-E44 PolarHBondContact O-N 2.86Å
43	N	43	Very low	58.8	Low	168 Å²	168	124.7 Å²	124.7	90%	0.898	63%	0.625	S	S	*	*			trans	-78.3	55.4	174.1	-163	12.1	0	0	0	110.1	R45	N43-R45 PolarHBondContact O-N 2.87Å; N43-R45 VanDerWaalsContact O-N 3.11Å
44	E	53.4	Low	62	Low	161 Å²	161	115.7 Å²	115.7	75%	0.752	59%	0.587	S	S	*	*			trans	-63.6	110.9	174	-71.6	-175.2	172.7	0	0	108.3	G42 K46	G42-E44 PolarHBondContact O-N 2.86Å; E44-K46 PolarHBondContact O-N 3.09Å
45	R	56.4	Low	65.2	Low	216 Å²	216	106 Å²	106	82%	0.815	54%	0.544	S	S	*	.			trans	-58.2	103.2	167.7	-74.3	179.8	174.2	174.1	-2.4	107.3	N43 H47	N43-R45 PolarHBondContact O-N 2.87Å; N43-R45 VanDerWaalsContact O-N 3.11Å; R45-H47 VanDerWaalsContact C-N 3.26Å; R45-H47 PolarHBondContact O-CD2 3.34Å; R45-H47 PolarHBondContact O-N 3.37Å
46	K	73.3	Confident	68.4	Low	196 Å²	196	98.1 Å²	98.1	85%	0.852	50%	0.503	S	S	*	.			trans	-65.6	88.4	177.3	-74.8	-178	178.6	172.9	0	109.7	E44	E44-K46 PolarHBondContact O-N 3.09Å
47	H	87.3	Confident	71.6	Confident	79 Å²	79	88.5 Å²	88.5	37%	0.366	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-53.5	136.7	177.1	-74.3	-83.8	0	0	0	110.2	R45 K49 W127 M128 I129	R45-H47 VanDerWaalsContact C-N 3.26Å; R45-H47 PolarHBondContact O-CD2 3.34Å; R45-H47 PolarHBondContact O-N 3.37Å; H47-K49 PolarHBondContact O-N 2.76Å; H47-W127 HydrophobicContact CB-CB 3.94Å; H47-W127 HydrophobicContact CB-CG 4.45Å; H47-M128 PolarHBondContact ND1-O 2.96Å; H47-I129 HydrophobicContact CB-CG2 4.47Å
48	P	92.9	Very high	74.8	Confident	64 Å²	64	83.4 Å²	83.4	42%	0.416	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-67.7	121.6	-174.8	25.2	-31.3	0	0	0	110.1	R50 M128	P48-R50 PolarHBondContact O-N 3.08Å; P48-M128 HydrophobicContact CG-CB 4.25Å; P48-M128 PolarHBondContact O-N 2.71Å
49	K	95.1	Very high	77.8	Confident	87 Å²	87	76.8 Å²	76.8	38%	0.378	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.9	174	-168	175.7	-176.8	-179.1	0	109.2	H47 H96 K125 L126	H47-K49 PolarHBondContact O-N 2.76Å; K49-H96 PolarHBondContact NZ-CE1 2.87Å; K49-K125 HydrophobicContact CG-CB 4.36Å; K49-L126 CarbonylContact C-O 3.56Å; K49-L126 VanDerWaalsContact CA-O 3.31Å; K49-L126 WeakPolarHBondContact CA-O 3.46Å
50	R	96.4	Very high	80.7	Confident	133 Å²	133	69.2 Å²	69.2	50%	0.502	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.2	-178.7	-61.5	-59.1	-176.6	-162.1	2.5	110.9	P48 V52 K125 L126 M128	P48-R50 PolarHBondContact O-N 3.08Å; R50-V52 HydrophobicContact CB-CG1 4.42Å; R50-K125 VanDerWaalsContact O-CA 3.26Å; R50-K125 WeakPolarHBondContact O-CA 3.35Å; R50-L126 PolarHBondContact N-O 3.16Å; R50-L126 PolarHBondContact O-N 2.62Å; R50-L126 VanDerWaalsContact O-N 3.1Å; R50-M128 HydrophobicContact CB-CG 3.84Å; R50-M128 HydrophobicContact CB-SD 4.2Å; R50-M128 HydrophobicContact CG-CG 3.53Å; R50-M128 HydrophobicContact CG-SD 4.47Å
51	K	97.5	Very high	83.2	Confident	15 Å²	15	67.6 Å²	67.6	7%	0.065	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.4	166.5	-177.5	83.1	-161.6	-161.7	0	107.3	S104 S123 L124 K125 V152 F156	K51-S104 PolarHBondContact NZ-O 3.42Å; K51-S123 PolarHBondContact NZ-O 3.28Å; K51-S123 PolarHBondContact NZ-OG 3.24Å; K51-L124 WeakPolarHBondContact CA-O 3.42Å; K51-L124 WeakPolarHBondContact CD-O 3.4Å; K51-K125 HydrophobicContact CB-CG 4.18Å; K51-K125 HydrophobicContact CD-CG 3.81Å; K51-V152 HydrophobicContact CB-CG2 4.31Å; K51-V152 HydrophobicContact CG-CG2 3.64Å; K51-V152 PolarHBondContact O-N 3.23Å; K51-F156 WeakPolarHBondContact CE-O 3.08Å; K51-F156 PolarHBondContact NZ-O 3Å; K51-F156 VanDerWaalsContact NZ-O 3.08Å
52	V	97.6	Very high	85.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	165.5	-179.3	-56.4	0	0	0	0	110.6	R50 L54 S123 L124 L126 M128 L149 K150 R151	R50-V52 HydrophobicContact CB-CG1 4.42Å; V52-L54 HydrophobicContact CG2-CD2 4.23Å; V52-S123 VanDerWaalsContact O-CA 3.22Å; V52-S123 WeakPolarHBondContact O-CA 3.26Å; V52-S123 WeakPolarHBondContact O-CB 3.48Å; V52-L124 HydrophobicContact CG2-CD2 3.93Å; V52-L124 HydrophobicContact CG2-CG 4.33Å; V52-L124 PolarHBondContact N-O 3.49Å; V52-L124 PolarHBondContact O-N 2.71Å; V52-L124 VanDerWaalsContact O-N 3.09Å; V52-L126 HydrophobicContact CG1-CD1 4.33Å; V52-L126 HydrophobicContact CG2-CD1 4.37Å; V52-L126 HydrophobicContact CG2-CD2 3.76Å; V52-L126 HydrophobicContact CG2-CG 3.76Å; V52-M128 HydrophobicContact CG1-SD 3.88Å; V52-L149 HydrophobicContact CB-CD2 4.47Å; V52-L149 HydrophobicContact CG1-CD2 4.24Å; V52-K150 CarbonylContact C-O 3.47Å; V52-K150 VanDerWaalsContact CA-O 3.29Å; V52-K150 WeakPolarHBondContact CA-O 3.41Å; V52-K150 WeakPolarHBondContact CB-O 3.47Å; V52-R151 HydrophobicContact CG1-CG 4.47Å
53	V	98.2	Very high	87.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.2	166.1	-179.9	0	0	0	0	107.6	V121 V122 L149 K150 V152 F156 L323 W325	V53-V121 HydrophobicContact CG1-CG1 3.25Å; V53-V122 CarbonylContact C-O 3.49Å; V53-V122 VanDerWaalsContact CA-O 3.28Å; V53-V122 WeakPolarHBondContact CA-O 3.31Å; V53-L149 WeakPolarHBondContact O-CA 3.31Å; V53-K150 PolarHBondContact N-O 3.25Å; V53-K150 PolarHBondContact O-N 2.75Å; V53-V152 HydrophobicContact CG2-CB 4.34Å; V53-V152 HydrophobicContact CG2-CG1 3.55Å; V53-V152 HydrophobicContact CG2-CG2 3.85Å; V53-F156 HydrophobicContact CG2-CD1 3.75Å; V53-F156 HydrophobicContact CG2-CE1 3.41Å; V53-F156 VanDerWaalsContact CG2-CE1 3.41Å; V53-F156 HydrophobicContact CG2-CZ 4.27Å; V53-L323 HydrophobicContact CB-CD2 4.07Å; V53-L323 HydrophobicContact CG1-CD2 4.21Å; V53-L323 HydrophobicContact CG2-CD1 4.29Å; V53-L323 HydrophobicContact CG2-CD2 4.03Å; V53-W325 HydrophobicContact CG1-CH2 4.13Å; V53-W325 HydrophobicContact CG1-CZ2 3.8Å
54	L	98.6	Very high	90.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.8	171.3	-52.6	179	0	0	0	109.3	V52 V121 V122 L124 V146 G148 L149	V52-L54 HydrophobicContact CG2-CD2 4.23Å; L54-V121 WeakPolarHBondContact O-CA 3.19Å; L54-V122 HydrophobicContact CB-CG2 3.77Å; L54-V122 HydrophobicContact CD1-CG2 4.24Å; L54-V122 HydrophobicContact CG-CG2 4.25Å; L54-V122 PolarHBondContact N-O 3.31Å; L54-V122 PolarHBondContact O-N 3.43Å; L54-L124 HydrophobicContact CD1-CD2 3.82Å; L54-L124 HydrophobicContact CG-CD2 3.88Å; L54-V146 HydrophobicContact CB-CG1 4.39Å; L54-V146 HydrophobicContact CD1-CG2 4.48Å; L54-V146 HydrophobicContact CD2-CG1 4.23Å; L54-G148 WeakPolarHBondContact CA-O 3.4Å; L54-L149 HydrophobicContact CD2-CB 3.88Å; L54-L149 HydrophobicContact CD2-CD1 3.6Å; L54-L149 HydrophobicContact CD2-CG 3.61Å
55	L	98.8	Very high	92.1	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.8	162.6	176.8	70.3	0	0	0	108.4	V121 V146 L147 G148 W325 E328 I332	L55-V121 HydrophobicContact CD1-CG2 4.21Å; L55-V146 WeakPolarHBondContact O-CA 3.33Å; L55-L147 HydrophobicContact CD2-CB 3.82Å; L55-L147 HydrophobicContact CG-CB 4.15Å; L55-L147 PolarHBondContact O-N 3Å; L55-G148 PolarHBondContact N-O 2.91Å; L55-W325 HydrophobicContact CB-CD2 3.93Å; L55-W325 HydrophobicContact CB-CE3 3.9Å; L55-W325 HydrophobicContact CB-CH2 4.04Å; L55-W325 HydrophobicContact CB-CZ2 4.08Å; L55-W325 HydrophobicContact CB-CZ3 3.95Å; L55-W325 HydrophobicContact CD1-CD2 4.27Å; L55-W325 HydrophobicContact CD1-CG 4.14Å; L55-W325 HydrophobicContact CD2-CB 3.93Å; L55-W325 HydrophobicContact CD2-CD2 3.91Å; L55-W325 HydrophobicContact CD2-CE3 4.01Å; L55-W325 HydrophobicContact CD2-CG 3.88Å; L55-W325 HydrophobicContact CG-CD2 4.26Å; L55-W325 HydrophobicContact CG-CG 4.43Å; L55-E328 HydrophobicContact CD2-CB 3.82Å; L55-E328 HydrophobicContact CD2-CG 4.13Å; L55-I332 HydrophobicContact CD2-CD1 3.96Å; L55-I332 HydrophobicContact CD2-CG1 4.18Å
56	L	98.5	Very high	94	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.6	-176.6	-66	171.6	0	0	0	110.6	M66 L82 Q120 V122 R145 V146	L56-M66 HydrophobicContact CD1-CE 4.24Å; L56-L82 HydrophobicContact CD1-CD2 3.69Å; L56-L82 HydrophobicContact CD2-CD1 4.09Å; L56-L82 HydrophobicContact CD2-CD2 4.44Å; L56-Q120 HydrophobicContact CB-CB 4.09Å; L56-Q120 HydrophobicContact CB-CG 4.3Å; L56-Q120 HydrophobicContact CD1-CG 4.35Å; L56-Q120 PolarHBondContact N-O 3.25Å; L56-Q120 WeakPolarHBondContact O-CB 3.27Å; L56-Q120 PolarHBondContact O-N 3.14Å; L56-V122 HydrophobicContact CD1-CB 4.31Å; L56-V122 HydrophobicContact CD1-CG1 3.71Å; L56-V122 HydrophobicContact CD1-CG2 3.63Å; L56-V122 HydrophobicContact CG-CG2 4.28Å; L56-R145 WeakPolarHBondContact CA-O 3.38Å; L56-V146 HydrophobicContact CD2-CB 4.41Å; L56-V146 HydrophobicContact CD2-CG2 3.7Å
57	A	98.7	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.6	165.4	0	0	0	0	0	110.3	A117 I144 R145 L147 F335	A57-A117 CarbonylContact C-O 3.49Å; A57-A117 VanDerWaalsContact CA-O 3.23Å; A57-A117 WeakPolarHBondContact CA-O 3.29Å; A57-I144 WeakPolarHBondContact O-CA 3.37Å; A57-R145 PolarHBondContact N-O 3.01Å; A57-R145 PolarHBondContact O-N 3.01Å; A57-L147 HydrophobicContact CB-CD1 3.62Å; A57-L147 HydrophobicContact CB-CG 4.17Å; A57-F335 HydrophobicContact CB-CB 4.45Å; A57-F335 HydrophobicContact CB-CD1 3.42Å; A57-F335 VanDerWaalsContact CB-CD1 3.42Å; A57-F335 HydrophobicContact CB-CD2 4.17Å; A57-F335 HydrophobicContact CB-CE1 3.64Å; A57-F335 HydrophobicContact CB-CE2 4.35Å; A57-F335 HydrophobicContact CB-CG 3.73Å; A57-F335 HydrophobicContact CB-CZ 4.12Å
58	Y	98.4	Very high	95	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	147.4	176.7	52.4	-94	0	0	0	113.2	M66 I78 T111 S116 A117 Q120 Q143	Y58-M66 HydrophobicContact CE1-SD 4.07Å; Y58-I78 HydrophobicContact CD1-CD1 4.46Å; Y58-I78 HydrophobicContact CD1-CG1 4.28Å; Y58-I78 HydrophobicContact CD1-CG2 3.71Å; Y58-I78 HydrophobicContact CD2-CD1 3.66Å; Y58-I78 HydrophobicContact CD2-CG1 3.73Å; Y58-I78 HydrophobicContact CE1-CG1 4.36Å; Y58-I78 HydrophobicContact CE1-CG2 3.94Å; Y58-I78 HydrophobicContact CE2-CD1 4.29Å; Y58-I78 HydrophobicContact CE2-CG1 3.85Å; Y58-I78 HydrophobicContact CG-CD1 3.76Å; Y58-I78 HydrophobicContact CG-CG1 3.96Å; Y58-I78 HydrophobicContact CG-CG2 4.08Å; Y58-T111 WeakPolarHBondContact OH-CG2 3.06Å; Y58-T111 PolarHBondContact OH-OG1 3.33Å; Y58-S116 WeakPolarHBondContact O-CB 3.29Å; Y58-A117 HydrophobicContact CD1-CB 4.11Å; Y58-A117 HydrophobicContact CD2-CB 4.32Å; Y58-A117 HydrophobicContact CE1-CB 3.59Å; Y58-A117 HydrophobicContact CE2-CB 3.81Å; Y58-A117 HydrophobicContact CG-CB 4.46Å; Y58-A117 VanDerWaalsContact CZ-CB 3.41Å; Y58-A117 PolarHBondContact N-O 2.66Å; Y58-A117 PolarHBondContact O-N 3.03Å; Y58-Q120 HydrophobicContact CE1-CB 3.67Å; Y58-Q120 HydrophobicContact CE1-CG 3.93Å; Y58-Q120 PolarHBondContact OH-NE2 3.47Å; Y58-Q143 CarbonylContact C-O 3.54Å; Y58-Q143 WeakPolarHBondContact CA-O 3.38Å
59	S	97	Very high	94.3	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	17%	0.165	C	C	.	.			trans	-84.1	126	161	-174.2	0	0	0	0	109.6	K61 Q143 H339	S59-K61 VanDerWaalsContact C-N 3.27Å; S59-K61 PolarHBondContact O-N 3.14Å; S59-Q143 PolarHBondContact N-O 3.42Å; S59-H339 WeakPolarHBondContact CB-O 3.3Å; S59-H339 PolarHBondContact OG-O 3.27Å
60	G	93.8	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	19%	0.188	C	C	.	.			trans	-74.2	-11.7	-177.9	0	0	0	0	0	114.6	G62 Y63 G114 S116	G60-G62 PolarHBondContact O-N 3.48Å; G60-Y63 PolarHBondContact O-N 3.38Å; G60-G114 WeakPolarHBondContact O-CA 3.23Å; G60-S116 PolarHBondContact N-OG 2.87Å
61	K	89.4	Confident	91	Very high	90 Å²	90	32.2 Å²	32.2	39%	0.391	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	123.9	-177.8	-170.2	164.3	-172.7	163.9	0	110.3	S59 Q143 S343 T347 E351	S59-K61 VanDerWaalsContact C-N 3.27Å; S59-K61 PolarHBondContact O-N 3.14Å; K61-Q143 PolarHBondContact O-NE2 3.36Å; K61-S343 WeakPolarHBondContact CD-OG 3.14Å; K61-T347 PolarHBondContact NZ-OG1 2.98Å; K61-E351 IonicContact NZ-OE1 2.72Å; K61-E351 PolarHBondContact NZ-OE1 3.25Å
62	G	89.2	Confident	89	Confident	68 Å²	68	33.6 Å²	33.6	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-8.1	-176.9	0	0	0	0	0	115.8	G60	G60-G62 PolarHBondContact O-N 3.48Å
63	Y	92.1	Very high	87.1	Confident	21 Å²	21	39.7 Å²	39.7	8%	0.082	26%	0.262	C	S	.	.			trans	-109.6	144.3	-178.6	-64.1	-75.6	0	0	0	113.4	G60 G65 K76 I78 E81 G114 Q143 I144	G60-Y63 PolarHBondContact O-N 3.38Å; Y63-G65 PolarHBondContact O-N 3.47Å; Y63-G65 VanDerWaalsContact O-N 3.08Å; Y63-K76 WeakPolarHBondContact CA-O 3.41Å; Y63-K76 HydrophobicContact CD1-CB 4.16Å; Y63-K76 HydrophobicContact CE1-CB 4.21Å; Y63-I78 HydrophobicContact CD1-CD1 4.11Å; Y63-I78 HydrophobicContact CD2-CD1 3.48Å; Y63-I78 VanDerWaalsContact CD2-CD1 3.48Å; Y63-I78 HydrophobicContact CE2-CD1 3.93Å; Y63-I78 HydrophobicContact CG-CD1 3.58Å; Y63-I78 HydrophobicContact CG-CG1 4.46Å; Y63-E81 HydrophobicContact CE1-CG 3.79Å; Y63-G114 PolarHBondContact O-N 3.13Å; Y63-G114 VanDerWaalsContact O-N 3.16Å; Y63-Q143 HydrophobicContact CE2-CG 4.21Å; Y63-I144 HydrophobicContact CE1-CD1 4.31Å; Y63-I144 HydrophobicContact CE2-CD1 4.01Å; Y63-I144 HydrophobicContact CE2-CG1 4.37Å
64	Y	92.1	Very high	85.6	Confident	67 Å²	67	46.1 Å²	46.1	26%	0.263	29%	0.292	S	S	.	.			trans	-88.3	46.7	177	-83.3	-120.9	0	0	0	111.6	F75 K76 K113	Y64-F75 HydrophobicContact CD1-CB 4.12Å; Y64-F75 HydrophobicContact CD1-CD2 4.22Å; Y64-F75 HydrophobicContact CD1-CG 4.26Å; Y64-F75 HydrophobicContact CD2-CB 3.28Å; Y64-F75 HydrophobicContact CD2-CD1 4.02Å; Y64-F75 HydrophobicContact CD2-CD2 4.39Å; Y64-F75 AromaticContact CD2-CG 3.65Å; Y64-F75 HydrophobicContact CD2-CG 3.65Å; Y64-F75 HydrophobicContact CE1-CB 4.32Å; Y64-F75 AromaticContact CE1-CD2 3.74Å; Y64-F75 HydrophobicContact CE1-CD2 3.74Å; Y64-F75 HydrophobicContact CE1-CE2 4.2Å; Y64-F75 AromaticContact CE1-CG 3.96Å; Y64-F75 HydrophobicContact CE1-CG 3.96Å; Y64-F75 HydrophobicContact CE2-CB 3.52Å; Y64-F75 AromaticContact CE2-CD1 3.31Å; Y64-F75 HydrophobicContact CE2-CD1 3.31Å; Y64-F75 AromaticContact CE2-CD2 3.91Å; Y64-F75 HydrophobicContact CE2-CD2 3.91Å; Y64-F75 AromaticContact CE2-CE1 3.97Å; Y64-F75 HydrophobicContact CE2-CE1 3.97Å; Y64-F75 HydrophobicContact CE2-CE2 4.5Å; Y64-F75 AromaticContact CE2-CG 3.27Å; Y64-F75 HydrophobicContact CE2-CG 3.27Å; Y64-F75 HydrophobicContact CG-CB 3.59Å; Y64-F75 HydrophobicContact CG-CG 4.11Å; Y64-F75 AromaticContact CZ-CD1 3.65Å; Y64-F75 AromaticContact CZ-CD2 3.54Å; Y64-F75 AromaticContact CZ-CE1 3.94Å; Y64-F75 AromaticContact CZ-CE2 3.86Å; Y64-F75 AromaticContact CZ-CG 3.43Å; Y64-F75 VanDerWaalsContact CZ-CG 3.43Å; Y64-F75 WeakPolarHBondContact OH-CZ 3.39Å; Y64-K76 PolarHBondContact N-O 2.98Å; Y64-K113 HydrophobicContact CD1-CD 3.93Å; Y64-K113 HydrophobicContact CD1-CG 4.44Å; Y64-K113 HydrophobicContact CD2-CD 4.44Å; Y64-K113 HydrophobicContact CD2-CG 4.43Å; Y64-K113 HydrophobicContact CE1-CD 3.79Å; Y64-K113 HydrophobicContact CE2-CD 4.34Å; Y64-K113 HydrophobicContact CG-CD 4.28Å; Y64-K113 HydrophobicContact CG-CG 4.33Å; Y64-K113 PolarHBondContact OH-NZ 2.86Å
65	G	93.1	Very high	84.6	Confident	5 Å²	5	49.6 Å²	49.6	5%	0.052	31%	0.307	C	S	.	.			trans	85	-172.5	177.9	0	0	0	0	0	114.4	Y63 T77 I78 T111 D112	Y63-G65 PolarHBondContact O-N 3.47Å; Y63-G65 VanDerWaalsContact O-N 3.08Å; G65-T77 WeakPolarHBondContact O-CB 3.49Å; G65-I78 PolarHBondContact O-N 3.04Å; G65-I78 VanDerWaalsContact O-N 3.13Å; G65-T111 WeakPolarHBondContact CA-O 3.21Å; G65-D112 WeakPolarHBondContact CA-O 3.4Å
66	M	95.6	Very high	84.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-71.4	-51.6	-176.3	177.1	64.6	-177.1	0	0	112.6	L56 Y58 I78 E79 F105 R107 T111 Q120 V122	L56-M66 HydrophobicContact CD1-CE 4.24Å; Y58-M66 HydrophobicContact CE1-SD 4.07Å; M66-I78 HydrophobicContact SD-CB 3.85Å; M66-I78 HydrophobicContact SD-CG2 3.81Å; M66-E79 HydrophobicContact CE-CG 3.83Å; M66-E79 VanDerWaalsContact O-CB 3.31Å; M66-E79 WeakPolarHBondContact O-CB 3.43Å; M66-E79 WeakPolarHBondContact O-CG 3.42Å; M66-E79 PolarHBondContact O-N 3.07Å; M66-E79 HydrophobicContact SD-CG 4.36Å; M66-F105 HydrophobicContact CE-CZ 4.49Å; M66-R107 HydrophobicContact CE-CB 4.1Å; M66-R107 HydrophobicContact CG-CG 4.35Å; M66-T111 WeakPolarHBondContact CB-OG1 3.49Å; M66-T111 PolarHBondContact N-O 2.91Å; M66-T111 VanDerWaalsContact N-O 3.09Å; M66-Q120 HydrophobicContact CE-CG 4.04Å; M66-Q120 HydrophobicContact SD-CG 4.17Å; M66-V122 HydrophobicContact CE-CG1 3.42Å; M66-V122 VanDerWaalsContact CE-CG1 3.42Å
67	Q	93.6	Very high	84.1	Confident	55 Å²	55	55.3 Å²	55.3	26%	0.257	33%	0.332	S	S	.	.	S	Bend	trans	-89.6	136.5	-165.6	-164.3	-164.5	-76.2	0	0	111.8	N69 T77 E79	Q67-N69 PolarHBondContact O-N 2.95Å; Q67-T77 WeakPolarHBondContact O-CG2 3.31Å; Q67-E79 WeakPolarHBondContact CG-OE2 3.44Å
68	R	88.5	Confident	84.1	Confident	64 Å²	64	55.4 Å²	55.4	24%	0.242	33%	0.333	C	S	.	.			trans	-51.4	134.5	166.8	-76.3	173.6	160.9	-172.3	-11.7	112.7	T77 E79 D80 G97	R68-T77 WeakPolarHBondContact CG-OG1 3.31Å; R68-T77 PolarHBondContact N-OG1 3.18Å; R68-E79 HydrophobicContact CG-CB 3.92Å; R68-E79 PolarHBondContact N-OE2 2.79Å; R68-D80 WeakPolarHBondContact CG-OD1 3.41Å; R68-D80 IonicContact CZ-OD1 3.39Å; R68-D80 IonicContact NE-OD1 2.71Å; R68-D80 PolarHBondContact NE-OD1 2.76Å; R68-D80 IonicContact NH2-OD1 3.27Å; R68-D80 PolarHBondContact NH2-OD1 3.11Å; R68-G97 PolarHBondContact NH1-O 3.29Å
69	N	77.6	Confident	84	Confident	91 Å²	91	55.4 Å²	55.4	49%	0.487	33%	0.333	S	S	.	.			trans	-105.2	118.5	170.7	-62.6	-36.2	0	0	0	108.6	Q67 G71	Q67-N69 PolarHBondContact O-N 2.95Å; N69-G71 PolarHBondContact O-N 3.35Å
70	A	65.8	Low	83.9	Confident	104 Å²	104	57.2 Å²	57.2	86%	0.86	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	127.3	175.8	0	0	0	0	0	109.4
71	G	57.4	Low	84.1	Confident	88 Å²	88	58.4 Å²	58.4	91%	0.907	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	-13.7	174.5	0	0	0	0	0	116.7	N69	N69-G71 PolarHBondContact O-N 3.35Å
72	S	54.2	Low	84.5	Confident	45 Å²	45	54.1 Å²	54.1	32%	0.315	33%	0.329	S	S	.	.			trans	-111.9	99.7	176.8	-170.6	0	0	0	0	112	Q74	S72-Q74 VanDerWaalsContact C-N 3.35Å
73	S	59.3	Low	84.9	Confident	127 Å²	127	51 Å²	51	89%	0.888	30%	0.296	S	S	*	.			trans	-83.1	-6.7	177.6	60.3	0	0	0	0	114.3
74	Q	66.3	Low	85.2	Confident	136 Å²	136	52.3 Å²	52.3	64%	0.636	31%	0.306	S	S	*	.	S	Bend	trans	-75.2	-25.8	-175.2	-83	-173.3	-20.5	0	0	114.1	S72	S72-Q74 VanDerWaalsContact C-N 3.35Å
75	F	77.9	Confident	85.5	Confident	73 Å²	73	49.1 Å²	49.1	32%	0.32	29%	0.294	S	S	.	.	S	Bend	trans	-137.8	126.4	-172	-51.9	-73.5	0	0	0	112.4	Y64	Y64-F75 HydrophobicContact CD1-CB 4.12Å; Y64-F75 HydrophobicContact CD1-CD2 4.22Å; Y64-F75 HydrophobicContact CD1-CG 4.26Å; Y64-F75 HydrophobicContact CD2-CB 3.28Å; Y64-F75 HydrophobicContact CD2-CD1 4.02Å; Y64-F75 HydrophobicContact CD2-CD2 4.39Å; Y64-F75 AromaticContact CD2-CG 3.65Å; Y64-F75 HydrophobicContact CD2-CG 3.65Å; Y64-F75 HydrophobicContact CE1-CB 4.32Å; Y64-F75 AromaticContact CE1-CD2 3.74Å; Y64-F75 HydrophobicContact CE1-CD2 3.74Å; Y64-F75 HydrophobicContact CE1-CE2 4.2Å; Y64-F75 AromaticContact CE1-CG 3.96Å; Y64-F75 HydrophobicContact CE1-CG 3.96Å; Y64-F75 HydrophobicContact CE2-CB 3.52Å; Y64-F75 AromaticContact CE2-CD1 3.31Å; Y64-F75 HydrophobicContact CE2-CD1 3.31Å; Y64-F75 AromaticContact CE2-CD2 3.91Å; Y64-F75 HydrophobicContact CE2-CD2 3.91Å; Y64-F75 AromaticContact CE2-CE1 3.97Å; Y64-F75 HydrophobicContact CE2-CE1 3.97Å; Y64-F75 HydrophobicContact CE2-CE2 4.5Å; Y64-F75 AromaticContact CE2-CG 3.27Å; Y64-F75 HydrophobicContact CE2-CG 3.27Å; Y64-F75 HydrophobicContact CG-CB 3.59Å; Y64-F75 HydrophobicContact CG-CG 4.11Å; Y64-F75 AromaticContact CZ-CD1 3.65Å; Y64-F75 AromaticContact CZ-CD2 3.54Å; Y64-F75 AromaticContact CZ-CE1 3.94Å; Y64-F75 AromaticContact CZ-CE2 3.86Å; Y64-F75 AromaticContact CZ-CG 3.43Å; Y64-F75 VanDerWaalsContact CZ-CG 3.43Å; Y64-F75 WeakPolarHBondContact OH-CZ 3.39Å
76	K	90.9	Very high	85.7	Confident	120 Å²	120	48.9 Å²	48.9	52%	0.522	29%	0.291	S	S	.	.			trans	-74.7	154.2	-179.5	-64.1	-174.3	173.7	-177.7	0	112.3	Y63 Y64 E81	Y63-K76 WeakPolarHBondContact CA-O 3.41Å; Y63-K76 HydrophobicContact CD1-CB 4.16Å; Y63-K76 HydrophobicContact CE1-CB 4.21Å; Y64-K76 PolarHBondContact N-O 2.98Å; K76-E81 WeakPolarHBondContact CD-OE1 3.49Å; K76-E81 WeakPolarHBondContact CE-OE1 3.32Å; K76-E81 IonicContact NZ-OE1 3.57Å; K76-E81 PolarHBondContact NZ-OE1 2.73Å
77	T	95.5	Very high	85.8	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	30%	0.303	C	S	.	.			trans	-115.7	165.3	172.2	69.1	0	0	0	0	110.6	G65 Q67 R68 E79 D80	G65-T77 WeakPolarHBondContact O-CB 3.49Å; Q67-T77 WeakPolarHBondContact O-CG2 3.31Å; R68-T77 WeakPolarHBondContact CG-OG1 3.31Å; R68-T77 PolarHBondContact N-OG1 3.18Å; T77-E79 VanDerWaalsContact C-N 3.25Å; T77-E79 PolarHBondContact O-N 2.89Å; T77-D80 WeakPolarHBondContact CB-OD2 3.26Å; T77-D80 PolarHBondContact N-OD2 3.24Å; T77-D80 WeakPolarHBondContact O-CB 3.34Å; T77-D80 PolarHBondContact O-N 3.39Å; T77-D80 PolarHBondContact OG1-N 2.97Å; T77-D80 PolarHBondContact OG1-OD2 3.47Å
78	I	97.5	Very high	86	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-35.9	177.2	-56.3	-62	0	0	0	111.3	Y58 Y63 G65 M66 D80 E81 L82 I144	Y58-I78 HydrophobicContact CD1-CD1 4.46Å; Y58-I78 HydrophobicContact CD1-CG1 4.28Å; Y58-I78 HydrophobicContact CD1-CG2 3.71Å; Y58-I78 HydrophobicContact CD2-CD1 3.66Å; Y58-I78 HydrophobicContact CD2-CG1 3.73Å; Y58-I78 HydrophobicContact CE1-CG1 4.36Å; Y58-I78 HydrophobicContact CE1-CG2 3.94Å; Y58-I78 HydrophobicContact CE2-CD1 4.29Å; Y58-I78 HydrophobicContact CE2-CG1 3.85Å; Y58-I78 HydrophobicContact CG-CD1 3.76Å; Y58-I78 HydrophobicContact CG-CG1 3.96Å; Y58-I78 HydrophobicContact CG-CG2 4.08Å; Y63-I78 HydrophobicContact CD1-CD1 4.11Å; Y63-I78 HydrophobicContact CD2-CD1 3.48Å; Y63-I78 VanDerWaalsContact CD2-CD1 3.48Å; Y63-I78 HydrophobicContact CE2-CD1 3.93Å; Y63-I78 HydrophobicContact CG-CD1 3.58Å; Y63-I78 HydrophobicContact CG-CG1 4.46Å; G65-I78 PolarHBondContact O-N 3.04Å; G65-I78 VanDerWaalsContact O-N 3.13Å; M66-I78 HydrophobicContact SD-CB 3.85Å; M66-I78 HydrophobicContact SD-CG2 3.81Å; I78-D80 PolarHBondContact O-N 3.43Å; I78-E81 PolarHBondContact O-N 2.71Å; I78-L82 WeakPolarHBondContact O-CB 3Å; I78-L82 PolarHBondContact O-N 2.89Å; I78-I144 HydrophobicContact CD1-CD1 3.84Å; I78-I144 HydrophobicContact CD1-CG1 4.26Å; I78-I144 HydrophobicContact CG2-CD1 4.43Å; I78-I144 HydrophobicContact CG2-CG2 4.49Å
79	E	97.3	Very high	86.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-25.2	174.1	-80.7	173.9	-165.4	0	0	113.3	M66 Q67 R68 T77 V83 M100 F105 R107	M66-E79 HydrophobicContact CE-CG 3.83Å; M66-E79 VanDerWaalsContact O-CB 3.31Å; M66-E79 WeakPolarHBondContact O-CB 3.43Å; M66-E79 WeakPolarHBondContact O-CG 3.42Å; M66-E79 PolarHBondContact O-N 3.07Å; M66-E79 HydrophobicContact SD-CG 4.36Å; Q67-E79 WeakPolarHBondContact CG-OE2 3.44Å; R68-E79 HydrophobicContact CG-CB 3.92Å; R68-E79 PolarHBondContact N-OE2 2.79Å; T77-E79 VanDerWaalsContact C-N 3.25Å; T77-E79 PolarHBondContact O-N 2.89Å; E79-V83 VanDerWaalsContact O-CB 3.26Å; E79-V83 WeakPolarHBondContact O-CB 3.17Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 2.83Å; E79-M100 HydrophobicContact CB-CE 4.26Å; E79-M100 HydrophobicContact CG-CE 4.17Å; E79-F105 HydrophobicContact CG-CE1 3.99Å; E79-F105 HydrophobicContact CG-CZ 3.95Å; E79-F105 WeakPolarHBondContact OE1-CE1 3.48Å; E79-R107 IonicContact OE1-CZ 3.23Å; E79-R107 VanDerWaalsContact OE1-CZ 3.23Å; E79-R107 IonicContact OE1-NE 2.7Å; E79-R107 PolarHBondContact OE1-NE 3.3Å; E79-R107 IonicContact OE1-NH2 2.94Å; E79-R107 PolarHBondContact OE1-NH2 3.18Å; E79-R107 IonicContact OE2-CZ 3.33Å; E79-R107 IonicContact OE2-NE 3.65Å; E79-R107 IonicContact OE2-NH2 3.64Å; E79-R107 PolarHBondContact OE2-NH2 3.25Å
80	D	95.7	Very high	87.4	Confident	41 Å²	41	50 Å²	50	22%	0.219	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-49.2	174.9	-68.1	-55.9	0	0	0	112.8	R68 T77 I78 T84	R68-D80 WeakPolarHBondContact CG-OD1 3.41Å; R68-D80 IonicContact CZ-OD1 3.39Å; R68-D80 IonicContact NE-OD1 2.71Å; R68-D80 PolarHBondContact NE-OD1 2.76Å; R68-D80 IonicContact NH2-OD1 3.27Å; R68-D80 PolarHBondContact NH2-OD1 3.11Å; T77-D80 WeakPolarHBondContact CB-OD2 3.26Å; T77-D80 PolarHBondContact N-OD2 3.24Å; T77-D80 WeakPolarHBondContact O-CB 3.34Å; T77-D80 PolarHBondContact O-N 3.39Å; T77-D80 PolarHBondContact OG1-N 2.97Å; T77-D80 PolarHBondContact OG1-OD2 3.47Å; I78-D80 PolarHBondContact O-N 3.43Å; D80-T84 VanDerWaalsContact O-CB 3.29Å; D80-T84 WeakPolarHBondContact O-CB 3.32Å; D80-T84 PolarHBondContact O-N 2.71Å; D80-T84 PolarHBondContact O-OG1 2.87Å
81	E	97.4	Very high	88.9	Confident	27 Å²	27	45.1 Å²	45.1	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-43.1	177.5	-64.6	-64.7	170.4	0	0	110.5	Y63 K76 I78 T84 A85 L140 P141 I144	Y63-E81 HydrophobicContact CE1-CG 3.79Å; K76-E81 WeakPolarHBondContact CD-OE1 3.49Å; K76-E81 WeakPolarHBondContact CE-OE1 3.32Å; K76-E81 IonicContact NZ-OE1 3.57Å; K76-E81 PolarHBondContact NZ-OE1 2.73Å; I78-E81 PolarHBondContact O-N 2.71Å; E81-T84 PolarHBondContact O-N 3.09Å; E81-A85 WeakPolarHBondContact O-CB 3.17Å; E81-A85 PolarHBondContact O-N 2.73Å; E81-L140 HydrophobicContact CB-CD2 4.12Å; E81-P141 HydrophobicContact CG-CG 4.41Å; E81-I144 HydrophobicContact CB-CD1 3.7Å; E81-I144 HydrophobicContact CG-CD1 3.9Å
82	L	98.3	Very high	90.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-45.6	177.5	-179.7	63.7	0	0	0	112.9	L56 I78 A85 L86 F105 V122 I136 V146	L56-L82 HydrophobicContact CD1-CD2 3.69Å; L56-L82 HydrophobicContact CD2-CD1 4.09Å; L56-L82 HydrophobicContact CD2-CD2 4.44Å; I78-L82 WeakPolarHBondContact O-CB 3Å; I78-L82 PolarHBondContact O-N 2.89Å; L82-A85 PolarHBondContact O-N 3.46Å; L82-L86 HydrophobicContact CD1-CD1 4.22Å; L82-L86 HydrophobicContact CD1-CG 4.35Å; L82-L86 HydrophobicContact CG-CD1 3.96Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 WeakPolarHBondContact O-CD1 3.38Å; L82-L86 VanDerWaalsContact O-CG 3.23Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.49Å; L82-F105 HydrophobicContact CD2-CE2 3.93Å; L82-F105 HydrophobicContact CD2-CZ 4.03Å; L82-V122 HydrophobicContact CD2-CG2 4.3Å; L82-I136 HydrophobicContact CD1-CG2 4.37Å; L82-V146 HydrophobicContact CD1-CG2 4.47Å
83	V	97.5	Very high	92.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-41.7	177.3	168.5	0	0	0	0	110.9	E79 A85 L86 I87 G97 M100 M103	E79-V83 VanDerWaalsContact O-CB 3.26Å; E79-V83 WeakPolarHBondContact O-CB 3.17Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 2.83Å; V83-A85 VanDerWaalsContact C-N 3.31Å; V83-A85 PolarHBondContact O-N 3.29Å; V83-L86 PolarHBondContact O-N 2.79Å; V83-I87 HydrophobicContact CG1-CD1 3.92Å; V83-I87 HydrophobicContact CG1-CG1 4.49Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.27Å; V83-G97 VanDerWaalsContact CG1-CA 3.47Å; V83-M100 HydrophobicContact CG2-CE 3.69Å; V83-M100 HydrophobicContact CG2-CG 4.35Å; V83-M100 HydrophobicContact CG2-SD 4.16Å; V83-M103 HydrophobicContact CG2-CE 3.96Å
84	T	97.3	Very high	94.4	Very high	50 Å²	50	39.5 Å²	39.5	31%	0.307	20%	0.203	S	C	.	.	H	α-helix	trans	-59.2	-44.3	176.2	-58.4	0	0	0	0	111	D80 E81 I87 K88	D80-T84 VanDerWaalsContact O-CB 3.29Å; D80-T84 WeakPolarHBondContact O-CB 3.32Å; D80-T84 PolarHBondContact O-N 2.71Å; D80-T84 PolarHBondContact O-OG1 2.87Å; E81-T84 PolarHBondContact O-N 3.09Å; T84-I87 PolarHBondContact O-N 2.94Å; T84-K88 HydrophobicContact CG2-CD 4.14Å; T84-K88 WeakPolarHBondContact O-CB 3.4Å; T84-K88 WeakPolarHBondContact O-CG 3.38Å; T84-K88 PolarHBondContact O-N 2.7Å
85	A	98.4	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-42.8	176.5	0	0	0	0	0	112.6	E81 L82 V83 I87 K88 S89 I136 N139 L140	E81-A85 WeakPolarHBondContact O-CB 3.17Å; E81-A85 PolarHBondContact O-N 2.73Å; L82-A85 PolarHBondContact O-N 3.46Å; V83-A85 VanDerWaalsContact C-N 3.31Å; V83-A85 PolarHBondContact O-N 3.29Å; A85-I87 VanDerWaalsContact C-N 3.31Å; A85-I87 PolarHBondContact O-N 3.3Å; A85-K88 PolarHBondContact O-N 2.92Å; A85-S89 VanDerWaalsContact O-CB 3.26Å; A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 3.12Å; A85-S89 PolarHBondContact O-OG 2.61Å; A85-I136 HydrophobicContact CB-CG2 4.04Å; A85-N139 HydrophobicContact CB-CB 3.76Å; A85-L140 HydrophobicContact CB-CD2 3.73Å; A85-L140 HydrophobicContact CB-CG 3.75Å
86	L	98.4	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-32.3	177.4	-75.1	165.1	0	0	0	113.5	L82 V83 S89 C91 I92 L124 L126 I136	L82-L86 HydrophobicContact CD1-CD1 4.22Å; L82-L86 HydrophobicContact CD1-CG 4.35Å; L82-L86 HydrophobicContact CG-CD1 3.96Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 WeakPolarHBondContact O-CD1 3.38Å; L82-L86 VanDerWaalsContact O-CG 3.23Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.49Å; V83-L86 PolarHBondContact O-N 2.79Å; L86-S89 PolarHBondContact O-OG 2.92Å; L86-C91 HydrophobicContact CB-CB 4.49Å; L86-C91 HydrophobicContact CD2-CB 3.79Å; L86-C91 WeakPolarHBondContact O-CA 3.17Å; L86-C91 WeakPolarHBondContact O-CB 3.35Å; L86-C91 PolarHBondContact O-N 3.22Å; L86-I92 HydrophobicContact CB-CD1 3.79Å; L86-I92 HydrophobicContact CB-CG1 3.9Å; L86-I92 HydrophobicContact CD1-CD1 4.47Å; L86-I92 PolarHBondContact O-N 2.77Å; L86-I92 VanDerWaalsContact O-N 3.07Å; L86-L124 HydrophobicContact CD1-CD1 3.56Å; L86-L124 HydrophobicContact CD2-CD1 4.19Å; L86-L126 HydrophobicContact CD2-CD2 4.04Å; L86-I136 HydrophobicContact CD2-CD1 3.58Å; L86-I136 HydrophobicContact CD2-CG1 4.03Å
87	I	97.9	Very high	96.5	Very high	47 Å²	47	28.8 Å²	28.8	24%	0.241	16%	0.159	C	C	.	.	H	α-helix	trans	-72.4	-54.7	173.3	-65.5	164	0	0	0	109.4	V83 T84 A85 S89 G90 I92 D94	V83-I87 HydrophobicContact CG1-CD1 3.92Å; V83-I87 HydrophobicContact CG1-CG1 4.49Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.27Å; T84-I87 PolarHBondContact O-N 2.94Å; A85-I87 VanDerWaalsContact C-N 3.31Å; A85-I87 PolarHBondContact O-N 3.3Å; I87-S89 PolarHBondContact O-N 3.05Å; I87-G90 PolarHBondContact O-N 2.7Å; I87-I92 HydrophobicContact CG1-CD1 4.1Å; I87-I92 HydrophobicContact CG1-CG1 3.84Å; I87-D94 WeakPolarHBondContact CG2-OD1 3.39Å
88	K	98	Very high	96.2	Very high	138 Å²	138	35.2 Å²	35.2	60%	0.6	19%	0.193	S	C	*	.	H	α-helix	trans	-60.3	-31.9	-177.5	-72.2	179.4	178.9	179.4	0	113.6	T84 A85 G90 N139	T84-K88 HydrophobicContact CG2-CD 4.14Å; T84-K88 WeakPolarHBondContact O-CB 3.4Å; T84-K88 WeakPolarHBondContact O-CG 3.38Å; T84-K88 PolarHBondContact O-N 2.7Å; A85-K88 PolarHBondContact O-N 2.92Å; K88-G90 PolarHBondContact O-N 2.77Å; K88-N139 HydrophobicContact CB-CB 4.28Å; K88-N139 VanDerWaalsContact CB-OD1 3.27Å; K88-N139 WeakPolarHBondContact CB-OD1 3.32Å; K88-N139 HydrophobicContact CD-CB 4.44Å; K88-N139 VanDerWaalsContact CD-OD1 3.29Å; K88-N139 WeakPolarHBondContact CD-OD1 3.42Å
89	S	97.5	Very high	96	Very high	14 Å²	14	37.6 Å²	37.6	10%	0.098	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.8	175.7	73.4	0	0	0	0	113.6	A85 L86 I87 C91 I129 K135	A85-S89 VanDerWaalsContact O-CB 3.26Å; A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 3.12Å; A85-S89 PolarHBondContact O-OG 2.61Å; L86-S89 PolarHBondContact O-OG 2.92Å; I87-S89 PolarHBondContact O-N 3.05Å; S89-C91 VanDerWaalsContact C-N 3.33Å; S89-C91 WeakPolarHBondContact OG-CB 3.22Å; S89-C91 PolarHBondContact OG-N 2.8Å; S89-C91 PolarHBondContact OG-SG 2.71Å; S89-I129 WeakPolarHBondContact O-CD1 3.39Å; S89-K135 VanDerWaalsContact CB-O 3.31Å; S89-K135 WeakPolarHBondContact CB-O 3.48Å
90	G	96.4	Very high	95.9	Very high	35 Å²	35	38.7 Å²	38.7	36%	0.361	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	19.9	-171.9	0	0	0	0	0	113.9	I87 K88	I87-G90 PolarHBondContact O-N 2.7Å; K88-G90 PolarHBondContact O-N 2.77Å
91	C	97.3	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-80.6	-28.9	178.2	-74.9	0	0	0	0	112.6	L86 S89 L126 W127 I129	L86-C91 HydrophobicContact CB-CB 4.49Å; L86-C91 HydrophobicContact CD2-CB 3.79Å; L86-C91 WeakPolarHBondContact O-CA 3.17Å; L86-C91 WeakPolarHBondContact O-CB 3.35Å; L86-C91 PolarHBondContact O-N 3.22Å; S89-C91 VanDerWaalsContact C-N 3.33Å; S89-C91 WeakPolarHBondContact OG-CB 3.22Å; S89-C91 PolarHBondContact OG-N 2.8Å; S89-C91 PolarHBondContact OG-SG 2.71Å; C91-L126 HydrophobicContact CB-CB 4.22Å; C91-L126 HydrophobicContact CB-CD2 4.46Å; C91-L126 WeakPolarHBondContact O-CA 3.42Å; C91-L126 WeakPolarHBondContact O-CB 3.45Å; C91-W127 PolarHBondContact O-N 3.35Å; C91-I129 VanDerWaalsContact SG-CD1 3.55Å
92	I	97.1	Very high	95.8	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.25	C	S	.	.	S	Bend	trans	-138.7	151.3	173.5	67.9	-178.6	0	0	0	110.8	L86 I87 H96 M103 L126	L86-I92 HydrophobicContact CB-CD1 3.79Å; L86-I92 HydrophobicContact CB-CG1 3.9Å; L86-I92 HydrophobicContact CD1-CD1 4.47Å; L86-I92 PolarHBondContact O-N 2.77Å; L86-I92 VanDerWaalsContact O-N 3.07Å; I87-I92 HydrophobicContact CG1-CD1 4.1Å; I87-I92 HydrophobicContact CG1-CG1 3.84Å; I92-H96 HydrophobicContact CB-CB 4.26Å; I92-H96 HydrophobicContact CD1-CB 4.35Å; I92-M103 HydrophobicContact CD1-CE 3.97Å; I92-M103 HydrophobicContact CD1-SD 3.83Å; I92-M103 HydrophobicContact CG2-SD 4.14Å; I92-L126 HydrophobicContact CG2-CB 4.15Å
93	P	95.6	Very high	95.7	Very high	30 Å²	30	48.2 Å²	48.2	20%	0.195	25%	0.25	C	S	.	.			trans	-72.9	154.7	166.7	31.9	-35.3	0	0	0	111.6	N95 H96 W127	P93-N95 WeakPolarHBondContact CG-OD1 3.42Å; P93-N95 PolarHBondContact O-N 3.18Å; P93-N95 VanDerWaalsContact O-N 3.16Å; P93-H96 WeakPolarHBondContact CD-ND1 3.35Å; P93-H96 HydrophobicContact CG-CB 4.43Å; P93-H96 WeakPolarHBondContact O-CB 3.36Å; P93-H96 PolarHBondContact O-N 3.11Å; P93-W127 HydrophobicContact CB-CH2 3.89Å; P93-W127 HydrophobicContact CB-CZ3 4.2Å; P93-W127 VanDerWaalsContact CD-CZ3 3.49Å; P93-W127 HydrophobicContact CG-CH2 3.9Å; P93-W127 HydrophobicContact CG-CZ2 4.48Å; P93-W127 HydrophobicContact CG-CZ3 4.29Å
94	D	94.6	Very high	95.7	Very high	108 Å²	108	50.2 Å²	50.2	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-51.7	-41.6	-178.1	-51.2	-93.5	0	0	0	112.7	I87 H96 G97 D98	I87-D94 WeakPolarHBondContact CG2-OD1 3.39Å; D94-H96 PolarHBondContact O-N 2.96Å; D94-H96 VanDerWaalsContact O-N 3.08Å; D94-G97 VanDerWaalsContact O-CA 3.29Å; D94-G97 WeakPolarHBondContact O-CA 3.44Å; D94-G97 PolarHBondContact O-N 3.26Å; D94-D98 PolarHBondContact O-N 2.84Å; D94-D98 VanDerWaalsContact O-N 3.09Å
95	N	93.8	Very high	95.8	Very high	80 Å²	80	48 Å²	48	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-15.4	-177.5	77.3	-6.1	0	0	0	114.6	P93 K102	P93-N95 WeakPolarHBondContact CG-OD1 3.42Å; P93-N95 PolarHBondContact O-N 3.18Å; P93-N95 VanDerWaalsContact O-N 3.16Å; N95-K102 VanDerWaalsContact O-CD 3.31Å; N95-K102 WeakPolarHBondContact O-CD 3.48Å; N95-K102 PolarHBondContact O-NZ 2.73Å
96	H	93.6	Very high	95.7	Very high	21 Å²	21	50.6 Å²	50.6	10%	0.097	26%	0.262	C	S	.	.	H	α-helix	trans	-86.7	-21.3	168.3	-68.7	176.3	0	0	0	112.5	K49 I92 P93 D94 D99 M100 K102 M103	K49-H96 PolarHBondContact NZ-CE1 2.87Å; I92-H96 HydrophobicContact CB-CB 4.26Å; I92-H96 HydrophobicContact CD1-CB 4.35Å; P93-H96 WeakPolarHBondContact CD-ND1 3.35Å; P93-H96 HydrophobicContact CG-CB 4.43Å; P93-H96 WeakPolarHBondContact O-CB 3.36Å; P93-H96 PolarHBondContact O-N 3.11Å; D94-H96 PolarHBondContact O-N 2.96Å; D94-H96 VanDerWaalsContact O-N 3.08Å; H96-D99 CarbonylContact O-C 3.59Å; H96-M100 VanDerWaalsContact O-CA 3.3Å; H96-M100 WeakPolarHBondContact O-CA 3.45Å; H96-M100 PolarHBondContact O-N 3.1Å; H96-K102 VanDerWaalsContact CD2-CB 3.42Å; H96-K102 WeakPolarHBondContact CD2-CB 3.42Å; H96-M103 HydrophobicContact CB-CB 4.18Å; H96-M103 HydrophobicContact CB-CG 4.25Å
97	G	90.9	Very high	95.7	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-73.1	-39.4	170.9	0	0	0	0	0	112	R68 V83 D94	R68-G97 PolarHBondContact NH1-O 3.29Å; V83-G97 VanDerWaalsContact CG1-CA 3.47Å; D94-G97 VanDerWaalsContact O-CA 3.29Å; D94-G97 WeakPolarHBondContact O-CA 3.44Å; D94-G97 PolarHBondContact O-N 3.26Å
98	D	90.3	Very high	95.7	Very high	138 Å²	138	50.3 Å²	50.3	74%	0.738	26%	0.259	S	S	*	.	H	α-helix	trans	-64.3	-42.7	172.8	-54.5	-36.4	0	0	0	111.7	D94	D94-D98 PolarHBondContact O-N 2.84Å; D94-D98 VanDerWaalsContact O-N 3.09Å
99	D	93.4	Very high	95.6	Very high	51 Å²	51	44 Å²	44	27%	0.273	23%	0.233	S	C	.	.			trans	-129	93.5	176.4	177	19.1	0	0	0	111.3	H96 K101 K102	H96-D99 CarbonylContact O-C 3.59Å; D99-K101 PolarHBondContact O-N 3.08Å; D99-K101 WeakPolarHBondContact OD1-CB 3.4Å; D99-K101 WeakPolarHBondContact OD1-CD 3.33Å; D99-K101 VanDerWaalsContact OD1-CG 3.23Å; D99-K101 WeakPolarHBondContact OD1-CG 3.18Å; D99-K101 PolarHBondContact OD1-N 3.09Å; D99-K102 HydrophobicContact CB-CD 4.14Å; D99-K102 HydrophobicContact CB-CG 4.27Å; D99-K102 WeakPolarHBondContact O-CB 3.22Å; D99-K102 PolarHBondContact O-N 2.88Å; D99-K102 WeakPolarHBondContact OD2-CE 3.38Å
100	M	94.9	Very high	95.4	Very high	24 Å²	24	50.9 Å²	50.9	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14	179.2	-58.3	173.2	75.7	0	0	113.5	E79 V83 H96 K102 M103 S104 F105	E79-M100 HydrophobicContact CB-CE 4.26Å; E79-M100 HydrophobicContact CG-CE 4.17Å; V83-M100 HydrophobicContact CG2-CE 3.69Å; V83-M100 HydrophobicContact CG2-CG 4.35Å; V83-M100 HydrophobicContact CG2-SD 4.16Å; H96-M100 VanDerWaalsContact O-CA 3.3Å; H96-M100 WeakPolarHBondContact O-CA 3.45Å; H96-M100 PolarHBondContact O-N 3.1Å; M100-K102 VanDerWaalsContact C-N 3.3Å; M100-K102 PolarHBondContact O-N 2.94Å; M100-M103 HydrophobicContact CB-CE 3.86Å; M100-M103 HydrophobicContact CE-CE 4.03Å; M100-M103 HydrophobicContact CG-CE 3.7Å; M100-M103 VanDerWaalsContact O-CG 3.32Å; M100-M103 WeakPolarHBondContact O-CG 3.46Å; M100-M103 PolarHBondContact O-N 3Å; M100-S104 PolarHBondContact O-N 3.22Å; M100-F105 HydrophobicContact CB-CB 4.02Å; M100-F105 HydrophobicContact CE-CB 4.22Å; M100-F105 HydrophobicContact CE-CD1 3.48Å; M100-F105 VanDerWaalsContact CE-CD1 3.48Å; M100-F105 HydrophobicContact CE-CD2 3.82Å; M100-F105 HydrophobicContact CE-CE1 3.66Å; M100-F105 HydrophobicContact CE-CE2 3.97Å; M100-F105 HydrophobicContact CE-CG 3.57Å; M100-F105 HydrophobicContact CE-CZ 3.89Å; M100-F105 WeakPolarHBondContact O-CB 3.29Å; M100-F105 PolarHBondContact O-N 3.06Å; M100-F105 VanDerWaalsContact O-N 3.14Å
101	K	95	Very high	95.3	Very high	176 Å²	176	49.6 Å²	49.6	77%	0.765	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.9	172.6	-58.5	167.7	-176.1	168.1	0	111.3	D99 M103 S104	D99-K101 PolarHBondContact O-N 3.08Å; D99-K101 WeakPolarHBondContact OD1-CB 3.4Å; D99-K101 WeakPolarHBondContact OD1-CD 3.33Å; D99-K101 VanDerWaalsContact OD1-CG 3.23Å; D99-K101 WeakPolarHBondContact OD1-CG 3.18Å; D99-K101 PolarHBondContact OD1-N 3.09Å; K101-M103 VanDerWaalsContact C-N 3.31Å; K101-M103 PolarHBondContact O-N 3.06Å; K101-S104 WeakPolarHBondContact O-CA 3.5Å; K101-S104 PolarHBondContact O-N 2.92Å
102	K	96.1	Very high	94.9	Very high	93 Å²	93	51.5 Å²	51.5	40%	0.404	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.4	179.8	-61.2	173.6	-165.1	153.7	0	113.6	N95 H96 D99 M100	N95-K102 VanDerWaalsContact O-CD 3.31Å; N95-K102 WeakPolarHBondContact O-CD 3.48Å; N95-K102 PolarHBondContact O-NZ 2.73Å; H96-K102 VanDerWaalsContact CD2-CB 3.42Å; H96-K102 WeakPolarHBondContact CD2-CB 3.42Å; D99-K102 HydrophobicContact CB-CD 4.14Å; D99-K102 HydrophobicContact CB-CG 4.27Å; D99-K102 WeakPolarHBondContact O-CB 3.22Å; D99-K102 PolarHBondContact O-N 2.88Å; D99-K102 WeakPolarHBondContact OD2-CE 3.38Å; M100-K102 VanDerWaalsContact C-N 3.3Å; M100-K102 PolarHBondContact O-N 2.94Å
103	M	96.3	Very high	94.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.1	168.1	59.4	161.3	165.7	0	0	113.5	V83 I92 H96 M100 K101 F105 L124 K125	V83-M103 HydrophobicContact CG2-CE 3.96Å; I92-M103 HydrophobicContact CD1-CE 3.97Å; I92-M103 HydrophobicContact CD1-SD 3.83Å; I92-M103 HydrophobicContact CG2-SD 4.14Å; H96-M103 HydrophobicContact CB-CB 4.18Å; H96-M103 HydrophobicContact CB-CG 4.25Å; M100-M103 HydrophobicContact CB-CE 3.86Å; M100-M103 HydrophobicContact CE-CE 4.03Å; M100-M103 HydrophobicContact CG-CE 3.7Å; M100-M103 VanDerWaalsContact O-CG 3.32Å; M100-M103 WeakPolarHBondContact O-CG 3.46Å; M100-M103 PolarHBondContact O-N 3Å; K101-M103 VanDerWaalsContact C-N 3.31Å; K101-M103 PolarHBondContact O-N 3.06Å; M103-F105 HydrophobicContact CE-CB 4.01Å; M103-F105 HydrophobicContact CE-CD2 3.74Å; M103-F105 HydrophobicContact CE-CG 4.17Å; M103-F105 HydrophobicContact CG-CB 4.09Å; M103-F105 PolarHBondContact O-N 3.48Å; M103-F105 HydrophobicContact SD-CB 4.25Å; M103-F105 HydrophobicContact SD-CD2 4.09Å; M103-L124 CarbonylContact O-C 3.16Å; M103-L124 HydrophobicContact SD-CB 4.2Å; M103-L124 HydrophobicContact SD-CD1 3.73Å; M103-K125 WeakPolarHBondContact O-CB 3.36Å; M103-K125 PolarHBondContact O-N 3.15Å
104	S	97.5	Very high	94.3	Very high	42 Å²	42	55.9 Å²	55.9	29%	0.294	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	41.2	-178.8	-46.3	0	0	0	0	112.7	K51 M100 K101 K125	K51-S104 PolarHBondContact NZ-O 3.42Å; M100-S104 PolarHBondContact O-N 3.22Å; K101-S104 WeakPolarHBondContact O-CA 3.5Å; K101-S104 PolarHBondContact O-N 2.92Å; S104-K125 PolarHBondContact OG-NZ 3.4Å
105	F	98.2	Very high	94.3	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.022	25%	0.247	C	C	.	.			trans	-70.2	133.6	-177.8	-171.8	-80.5	0	0	0	111.6	M66 E79 L82 M100 M103 R107 V122 S123 L124	M66-F105 HydrophobicContact CE-CZ 4.49Å; E79-F105 HydrophobicContact CG-CE1 3.99Å; E79-F105 HydrophobicContact CG-CZ 3.95Å; E79-F105 WeakPolarHBondContact OE1-CE1 3.48Å; L82-F105 HydrophobicContact CD2-CE2 3.93Å; L82-F105 HydrophobicContact CD2-CZ 4.03Å; M100-F105 HydrophobicContact CB-CB 4.02Å; M100-F105 HydrophobicContact CE-CB 4.22Å; M100-F105 HydrophobicContact CE-CD1 3.48Å; M100-F105 VanDerWaalsContact CE-CD1 3.48Å; M100-F105 HydrophobicContact CE-CD2 3.82Å; M100-F105 HydrophobicContact CE-CE1 3.66Å; M100-F105 HydrophobicContact CE-CE2 3.97Å; M100-F105 HydrophobicContact CE-CG 3.57Å; M100-F105 HydrophobicContact CE-CZ 3.89Å; M100-F105 WeakPolarHBondContact O-CB 3.29Å; M100-F105 PolarHBondContact O-N 3.06Å; M100-F105 VanDerWaalsContact O-N 3.14Å; M103-F105 HydrophobicContact CE-CB 4.01Å; M103-F105 HydrophobicContact CE-CD2 3.74Å; M103-F105 HydrophobicContact CE-CG 4.17Å; M103-F105 HydrophobicContact CG-CB 4.09Å; M103-F105 PolarHBondContact O-N 3.48Å; M103-F105 HydrophobicContact SD-CB 4.25Å; M103-F105 HydrophobicContact SD-CD2 4.09Å; F105-R107 HydrophobicContact CE1-CB 4.42Å; F105-V122 HydrophobicContact CE1-CB 4.49Å; F105-V122 HydrophobicContact CE1-CG1 4.18Å; F105-V122 HydrophobicContact CE2-CB 4.25Å; F105-V122 HydrophobicContact CE2-CG1 4.45Å; F105-V122 HydrophobicContact CE2-CG2 4.38Å; F105-V122 HydrophobicContact CZ-CB 3.94Å; F105-V122 HydrophobicContact CZ-CG1 3.69Å; F105-V122 HydrophobicContact CZ-CG2 4.41Å; F105-S123 CarbonylContact C-O 3.36Å; F105-S123 VanDerWaalsContact CA-O 3.32Å; F105-S123 WeakPolarHBondContact CA-O 3.47Å; F105-L124 HydrophobicContact CB-CB 4.42Å; F105-L124 HydrophobicContact CD2-CB 3.92Å; F105-L124 HydrophobicContact CD2-CD1 4.21Å
106	Q	98.2	Very high	94.5	Very high	53 Å²	53	47.2 Å²	47.2	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.7	176.1	-61.5	-72.8	-73.4	0	0	109.9	V122 S123 N157 S158	Q106-V122 CarbonylContact O-C 3.5Å; Q106-V122 WeakPolarHBondContact O-CA 3.08Å; Q106-V122 WeakPolarHBondContact O-CB 3.4Å; Q106-S123 PolarHBondContact N-O 3.38Å; Q106-S123 PolarHBondContact O-N 3.04Å; Q106-N157 WeakPolarHBondContact CG-OD1 3.33Å; Q106-N157 PolarHBondContact OE1-ND2 2.94Å; Q106-N157 PolarHBondContact OE1-OD1 3.21Å; Q106-S158 PolarHBondContact O-OG 3.31Å
107	R	97.8	Very high	94.8	Very high	35 Å²	35	46.2 Å²	46.2	13%	0.132	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143	177.6	74	-67.3	-66.3	167.2	-7.2	111.3	M66 E79 F105 A109 R110 V122 K159	M66-R107 HydrophobicContact CE-CB 4.1Å; M66-R107 HydrophobicContact CG-CG 4.35Å; E79-R107 IonicContact OE1-CZ 3.23Å; E79-R107 VanDerWaalsContact OE1-CZ 3.23Å; E79-R107 IonicContact OE1-NE 2.7Å; E79-R107 PolarHBondContact OE1-NE 3.3Å; E79-R107 IonicContact OE1-NH2 2.94Å; E79-R107 PolarHBondContact OE1-NH2 3.18Å; E79-R107 IonicContact OE2-CZ 3.33Å; E79-R107 IonicContact OE2-NE 3.65Å; E79-R107 IonicContact OE2-NH2 3.64Å; E79-R107 PolarHBondContact OE2-NH2 3.25Å; F105-R107 HydrophobicContact CE1-CB 4.42Å; R107-A109 WeakPolarHBondContact CG-O 3.29Å; R107-R110 HydrophobicContact CG-CG 4.39Å; R107-V122 HydrophobicContact CB-CG1 3.94Å; R107-K159 WeakPolarHBondContact O-CB 3.41Å
108	C	97.1	Very high	95.1	Very high	6 Å²	6	46 Å²	46	4%	0.041	22%	0.222	C	C	.	.	S	Bend	trans	-76.2	-34.5	-177.6	-76.5	0	0	0	0	114.1	V121 S158 R165 V305	C108-V121 HydrophobicContact CB-CB 4.31Å; C108-V121 WeakPolarHBondContact CB-O 3.2Å; C108-V121 PolarHBondContact N-O 3.31Å; C108-V121 PolarHBondContact SG-O 3.15Å; C108-S158 WeakPolarHBondContact SG-CB 3.12Å; C108-S158 PolarHBondContact SG-O 3.44Å; C108-R165 PolarHBondContact O-NE 3.17Å; C108-R165 PolarHBondContact O-NH2 2.71Å; C108-V305 HydrophobicContact CB-CB 4.43Å; C108-V305 HydrophobicContact CB-CG1 3.68Å; C108-V305 HydrophobicContact CB-CG2 3.81Å; C108-V305 VanDerWaalsContact SG-CG1 3.59Å
109	A	95.9	Very high	95.5	Very high	7 Å²	7	39.6 Å²	39.6	6%	0.058	19%	0.189	C	C	.	.			trans	-130.7	143.5	176.4	0	0	0	0	0	110.2	R107 Q120 L302	R107-A109 WeakPolarHBondContact CG-O 3.29Å; A109-Q120 PolarHBondContact O-NE2 3.17Å; A109-L302 HydrophobicContact CB-CD2 3.53Å
110	R	94.4	Very high	95.7	Very high	157 Å²	157	37.2 Å²	37.2	59%	0.592	18%	0.176	S	C	*	.			trans	-99.8	103.8	162.5	-70	170.2	166.7	174.9	-10.6	105.3	R107	R107-R110 HydrophobicContact CG-CG 4.39Å
111	T	93.3	Very high	95.9	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.055	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-82.5	138.4	174	54.2	0	0	0	0	109.2	Y58 G65 M66 V115 L302	Y58-T111 WeakPolarHBondContact OH-CG2 3.06Å; Y58-T111 PolarHBondContact OH-OG1 3.33Å; G65-T111 WeakPolarHBondContact CA-O 3.21Å; M66-T111 WeakPolarHBondContact CB-OG1 3.49Å; M66-T111 PolarHBondContact N-O 2.91Å; M66-T111 VanDerWaalsContact N-O 3.09Å; T111-V115 HydrophobicContact CG2-CG1 3.88Å; T111-L302 HydrophobicContact CG2-CB 4.44Å
112	D	89.4	Confident	96.1	Very high	39 Å²	39	27.7 Å²	27.7	21%	0.209	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-67.2	173.3	178	-55.3	-21.2	0	0	0	111.3	G65 G114 V115 H259 R262	G65-D112 WeakPolarHBondContact CA-O 3.4Å; D112-G114 PolarHBondContact O-N 2.89Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 WeakPolarHBondContact O-CB 3.47Å; D112-V115 PolarHBondContact O-N 3.19Å; D112-H259 IonicContact OD2-CD2 2.71Å; D112-R262 IonicContact OD2-NH1 3.07Å
113	K	90.1	Very high	96.2	Very high	104 Å²	104	23.3 Å²	23.3	45%	0.452	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	131.8	172.6	176.1	179.9	171.6	-176.8	0	111.4	Y64 V115	Y64-K113 HydrophobicContact CD1-CD 3.93Å; Y64-K113 HydrophobicContact CD1-CG 4.44Å; Y64-K113 HydrophobicContact CD2-CD 4.44Å; Y64-K113 HydrophobicContact CD2-CG 4.43Å; Y64-K113 HydrophobicContact CE1-CD 3.79Å; Y64-K113 HydrophobicContact CE2-CD 4.34Å; Y64-K113 HydrophobicContact CG-CD 4.28Å; Y64-K113 HydrophobicContact CG-CG 4.33Å; Y64-K113 PolarHBondContact OH-NZ 2.86Å; K113-V115 PolarHBondContact O-N 3.02Å
114	G	89.8	Confident	96.3	Very high	22 Å²	22	23.3 Å²	23.3	23%	0.227	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-14.4	179.7	0	0	0	0	0	116.4	G60 Y63 D112	G60-G114 WeakPolarHBondContact O-CA 3.23Å; Y63-G114 PolarHBondContact O-N 3.13Å; Y63-G114 VanDerWaalsContact O-N 3.16Å; D112-G114 PolarHBondContact O-N 2.89Å
115	V	95.1	Very high	96.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	11%	0.114	C	C	.	.			trans	-74.1	131.7	-177.1	174.8	0	0	0	0	110.6	T111 D112 K113 L300	T111-V115 HydrophobicContact CG2-CG1 3.88Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 WeakPolarHBondContact O-CB 3.47Å; D112-V115 PolarHBondContact O-N 3.19Å; K113-V115 PolarHBondContact O-N 3.02Å; V115-L300 HydrophobicContact CG1-CB 4.09Å; V115-L300 HydrophobicContact CG1-CD2 3.87Å; V115-L300 HydrophobicContact CG1-CG 3.91Å; V115-L300 WeakPolarHBondContact CG1-O 3.41Å; V115-L300 HydrophobicContact CG2-CB 4.28Å; V115-L300 HydrophobicContact CG2-CD2 4.01Å
116	S	97.9	Very high	96.3	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.028	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	170	-176.8	-59.9	0	0	0	0	112.5	Y58 G60 L300 V301 L302	Y58-S116 WeakPolarHBondContact O-CB 3.29Å; G60-S116 PolarHBondContact N-OG 2.87Å; S116-L300 PolarHBondContact N-O 3.18Å; S116-L300 VanDerWaalsContact N-O 3.12Å; S116-V301 WeakPolarHBondContact O-CA 3.38Å; S116-L302 PolarHBondContact O-N 2.78Å
117	A	98.6	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.9	170.7	0	0	0	0	0	111.6	A57 Y58 Q120 L302 I340	A57-A117 CarbonylContact C-O 3.49Å; A57-A117 VanDerWaalsContact CA-O 3.23Å; A57-A117 WeakPolarHBondContact CA-O 3.29Å; Y58-A117 HydrophobicContact CD1-CB 4.11Å; Y58-A117 HydrophobicContact CD2-CB 4.32Å; Y58-A117 HydrophobicContact CE1-CB 3.59Å; Y58-A117 HydrophobicContact CE2-CB 3.81Å; Y58-A117 HydrophobicContact CG-CB 4.46Å; Y58-A117 VanDerWaalsContact CZ-CB 3.41Å; Y58-A117 PolarHBondContact N-O 2.66Å; Y58-A117 PolarHBondContact O-N 3.03Å; A117-Q120 HydrophobicContact CB-CB 3.82Å; A117-L302 CarbonylContact C-O 3.59Å; A117-L302 WeakPolarHBondContact CA-O 3.38Å; A117-L302 HydrophobicContact CB-CB 3.8Å; A117-L302 HydrophobicContact CB-CD2 4.3Å; A117-L302 HydrophobicContact CB-CG 4.42Å; A117-I340 WeakPolarHBondContact O-CD1 3.29Å
118	A	98.5	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-29.2	168.6	0	0	0	0	0	111.6	V301 L302 I332 K336 I340	A118-V301 HydrophobicContact CB-CG1 4.27Å; A118-L302 PolarHBondContact N-O 2.92Å; A118-I332 HydrophobicContact CB-CG2 3.81Å; A118-K336 HydrophobicContact CB-CD 3.63Å; A118-K336 HydrophobicContact CB-CG 3.61Å; A118-I340 HydrophobicContact CB-CD1 4.33Å
119	G	98.1	Very high	96.1	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	50.7	-178	0	0	0	0	0	114	L302 E303 V305	G119-L302 PolarHBondContact N-O 3.17Å; G119-L302 VanDerWaalsContact N-O 3.1Å; G119-E303 WeakPolarHBondContact CA-O 3.35Å; G119-E303 PolarHBondContact N-O 3.35Å; G119-V305 WeakPolarHBondContact O-CG2 3.49Å
120	Q	98.6	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	145.7	166.9	172.1	71.7	-95.2	0	0	109.5	L56 Y58 M66 A109 A117 L302	L56-Q120 HydrophobicContact CB-CB 4.09Å; L56-Q120 HydrophobicContact CB-CG 4.3Å; L56-Q120 HydrophobicContact CD1-CG 4.35Å; L56-Q120 PolarHBondContact N-O 3.25Å; L56-Q120 WeakPolarHBondContact O-CB 3.27Å; L56-Q120 PolarHBondContact O-N 3.14Å; Y58-Q120 HydrophobicContact CE1-CB 3.67Å; Y58-Q120 HydrophobicContact CE1-CG 3.93Å; Y58-Q120 PolarHBondContact OH-NE2 3.47Å; M66-Q120 HydrophobicContact CE-CG 4.04Å; M66-Q120 HydrophobicContact SD-CG 4.17Å; A109-Q120 PolarHBondContact O-NE2 3.17Å; A117-Q120 HydrophobicContact CB-CB 3.82Å; Q120-L302 HydrophobicContact CB-CD2 4.08Å
121	V	98.6	Very high	96.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.6	178.5	177.7	0	0	0	0	110.9	V53 L54 L55 C108 V305 F307	V53-V121 HydrophobicContact CG1-CG1 3.25Å; L54-V121 WeakPolarHBondContact O-CA 3.19Å; L55-V121 HydrophobicContact CD1-CG2 4.21Å; C108-V121 HydrophobicContact CB-CB 4.31Å; C108-V121 WeakPolarHBondContact CB-O 3.2Å; C108-V121 PolarHBondContact N-O 3.31Å; C108-V121 PolarHBondContact SG-O 3.15Å; V121-V305 HydrophobicContact CB-CB 4.25Å; V121-V305 HydrophobicContact CB-CG1 4.19Å; V121-V305 HydrophobicContact CB-CG2 4.31Å; V121-V305 HydrophobicContact CG2-CB 3.88Å; V121-V305 HydrophobicContact CG2-CG1 4.25Å; V121-V305 HydrophobicContact CG2-CG2 4.17Å; V121-F307 HydrophobicContact CB-CE2 4.26Å; V121-F307 HydrophobicContact CB-CZ 4.35Å; V121-F307 HydrophobicContact CG1-CE2 3.87Å; V121-F307 HydrophobicContact CG1-CZ 3.81Å; V121-F307 HydrophobicContact CG2-CE2 4.23Å
122	V	98.6	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.3	174.5	-61.8	0	0	0	0	110.9	V53 L54 L56 M66 L82 F105 Q106 R107 L124	V53-V122 CarbonylContact C-O 3.49Å; V53-V122 VanDerWaalsContact CA-O 3.28Å; V53-V122 WeakPolarHBondContact CA-O 3.31Å; L54-V122 HydrophobicContact CB-CG2 3.77Å; L54-V122 HydrophobicContact CD1-CG2 4.24Å; L54-V122 HydrophobicContact CG-CG2 4.25Å; L54-V122 PolarHBondContact N-O 3.31Å; L54-V122 PolarHBondContact O-N 3.43Å; L56-V122 HydrophobicContact CD1-CB 4.31Å; L56-V122 HydrophobicContact CD1-CG1 3.71Å; L56-V122 HydrophobicContact CD1-CG2 3.63Å; L56-V122 HydrophobicContact CG-CG2 4.28Å; M66-V122 HydrophobicContact CE-CG1 3.42Å; M66-V122 VanDerWaalsContact CE-CG1 3.42Å; L82-V122 HydrophobicContact CD2-CG2 4.3Å; F105-V122 HydrophobicContact CE1-CB 4.49Å; F105-V122 HydrophobicContact CE1-CG1 4.18Å; F105-V122 HydrophobicContact CE2-CB 4.25Å; F105-V122 HydrophobicContact CE2-CG1 4.45Å; F105-V122 HydrophobicContact CE2-CG2 4.38Å; F105-V122 HydrophobicContact CZ-CB 3.94Å; F105-V122 HydrophobicContact CZ-CG1 3.69Å; F105-V122 HydrophobicContact CZ-CG2 4.41Å; Q106-V122 CarbonylContact O-C 3.5Å; Q106-V122 WeakPolarHBondContact O-CA 3.08Å; Q106-V122 WeakPolarHBondContact O-CB 3.4Å; R107-V122 HydrophobicContact CB-CG1 3.94Å; V122-L124 HydrophobicContact CG2-CD2 4.32Å
123	S	98.6	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.4	172.3	66.5	0	0	0	0	111.5	K51 V52 F105 Q106 S158	K51-S123 PolarHBondContact NZ-O 3.28Å; K51-S123 PolarHBondContact NZ-OG 3.24Å; V52-S123 VanDerWaalsContact O-CA 3.22Å; V52-S123 WeakPolarHBondContact O-CA 3.26Å; V52-S123 WeakPolarHBondContact O-CB 3.48Å; F105-S123 CarbonylContact C-O 3.36Å; F105-S123 VanDerWaalsContact CA-O 3.32Å; F105-S123 WeakPolarHBondContact CA-O 3.47Å; Q106-S123 PolarHBondContact N-O 3.38Å; Q106-S123 PolarHBondContact O-N 3.04Å; S123-S158 PolarHBondContact N-OG 2.91Å; S123-S158 WeakPolarHBondContact OG-CB 3.23Å; S123-S158 PolarHBondContact OG-N 2.89Å; S123-S158 VanDerWaalsContact OG-N 3.11Å; S123-S158 PolarHBondContact OG-OG 3.06Å
124	L	98.6	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	173.2	-172.6	69	163.3	0	0	0	111.1	K51 V52 L54 L86 M103 F105 V122 L126	K51-L124 WeakPolarHBondContact CA-O 3.42Å; K51-L124 WeakPolarHBondContact CD-O 3.4Å; V52-L124 HydrophobicContact CG2-CD2 3.93Å; V52-L124 HydrophobicContact CG2-CG 4.33Å; V52-L124 PolarHBondContact N-O 3.49Å; V52-L124 PolarHBondContact O-N 2.71Å; V52-L124 VanDerWaalsContact O-N 3.09Å; L54-L124 HydrophobicContact CD1-CD2 3.82Å; L54-L124 HydrophobicContact CG-CD2 3.88Å; L86-L124 HydrophobicContact CD1-CD1 3.56Å; L86-L124 HydrophobicContact CD2-CD1 4.19Å; M103-L124 CarbonylContact O-C 3.16Å; M103-L124 HydrophobicContact SD-CB 4.2Å; M103-L124 HydrophobicContact SD-CD1 3.73Å; F105-L124 HydrophobicContact CB-CB 4.42Å; F105-L124 HydrophobicContact CD2-CB 3.92Å; F105-L124 HydrophobicContact CD2-CD1 4.21Å; V122-L124 HydrophobicContact CG2-CD2 4.32Å; L124-L126 HydrophobicContact CD1-CD2 4.34Å; L124-L126 HydrophobicContact CG-CD2 4.44Å
125	K	98.3	Very high	97.4	Very high	67 Å²	67	36.5 Å²	36.5	29%	0.291	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.1	173.3	-64.5	177	179.5	164.8	0	109.8	K49 R50 K51 M103 S104	K49-K125 HydrophobicContact CG-CB 4.36Å; R50-K125 VanDerWaalsContact O-CA 3.26Å; R50-K125 WeakPolarHBondContact O-CA 3.35Å; K51-K125 HydrophobicContact CB-CG 4.18Å; K51-K125 HydrophobicContact CD-CG 3.81Å; M103-K125 WeakPolarHBondContact O-CB 3.36Å; M103-K125 PolarHBondContact O-N 3.15Å; S104-K125 PolarHBondContact OG-NZ 3.4Å
126	L	97.4	Very high	97.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	165.9	178.7	59.4	73.1	0	0	0	111.8	K49 R50 V52 L86 C91 I92 L124 M128 V132	K49-L126 CarbonylContact C-O 3.56Å; K49-L126 VanDerWaalsContact CA-O 3.31Å; K49-L126 WeakPolarHBondContact CA-O 3.46Å; R50-L126 PolarHBondContact N-O 3.16Å; R50-L126 PolarHBondContact O-N 2.62Å; R50-L126 VanDerWaalsContact O-N 3.1Å; V52-L126 HydrophobicContact CG1-CD1 4.33Å; V52-L126 HydrophobicContact CG2-CD1 4.37Å; V52-L126 HydrophobicContact CG2-CD2 3.76Å; V52-L126 HydrophobicContact CG2-CG 3.76Å; L86-L126 HydrophobicContact CD2-CD2 4.04Å; C91-L126 HydrophobicContact CB-CB 4.22Å; C91-L126 HydrophobicContact CB-CD2 4.46Å; C91-L126 WeakPolarHBondContact O-CA 3.42Å; C91-L126 WeakPolarHBondContact O-CB 3.45Å; I92-L126 HydrophobicContact CG2-CB 4.15Å; L124-L126 HydrophobicContact CD1-CD2 4.34Å; L124-L126 HydrophobicContact CG-CD2 4.44Å; L126-M128 HydrophobicContact CD1-SD 3.66Å; L126-V132 HydrophobicContact CD1-CG1 4.24Å; L126-V132 HydrophobicContact CD2-CG1 4.34Å
127	W	97.5	Very high	97.6	Very high	94 Å²	94	37.8 Å²	37.8	36%	0.356	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.9	169.8	-71.5	-49.9	0	0	0	110.4	H47 C91 P93 I129	H47-W127 HydrophobicContact CB-CB 3.94Å; H47-W127 HydrophobicContact CB-CG 4.45Å; C91-W127 PolarHBondContact O-N 3.35Å; P93-W127 HydrophobicContact CB-CH2 3.89Å; P93-W127 HydrophobicContact CB-CZ3 4.2Å; P93-W127 VanDerWaalsContact CD-CZ3 3.49Å; P93-W127 HydrophobicContact CG-CH2 3.9Å; P93-W127 HydrophobicContact CG-CZ2 4.48Å; P93-W127 HydrophobicContact CG-CZ3 4.29Å; W127-I129 VanDerWaalsContact C-N 3.31Å; W127-I129 PolarHBondContact O-N 2.86Å
128	M	95.7	Very high	97.6	Very high	46 Å²	46	42.1 Å²	42.1	23%	0.227	21%	0.208	C	C	.	.			trans	-76.4	85.9	174.6	-60.8	-59.7	-56.5	0	0	110	H47 P48 R50 V52 L126 V132 L149	H47-M128 PolarHBondContact ND1-O 2.96Å; P48-M128 HydrophobicContact CG-CB 4.25Å; P48-M128 PolarHBondContact O-N 2.71Å; R50-M128 HydrophobicContact CB-CG 3.84Å; R50-M128 HydrophobicContact CB-SD 4.2Å; R50-M128 HydrophobicContact CG-CG 3.53Å; R50-M128 HydrophobicContact CG-SD 4.47Å; V52-M128 HydrophobicContact CG1-SD 3.88Å; L126-M128 HydrophobicContact CD1-SD 3.66Å; M128-V132 HydrophobicContact CE-CG2 4.02Å; M128-L149 HydrophobicContact CE-CD2 4.18Å
129	I	95.1	Very high	97.6	Very high	26 Å²	26	44.5 Å²	44.5	13%	0.133	22%	0.221	C	C	.	.			trans	-74.7	170.1	165.9	63.2	175.1	0	0	0	110.7	H47 S89 C91 W127 V132 K135	H47-I129 HydrophobicContact CB-CG2 4.47Å; S89-I129 WeakPolarHBondContact O-CD1 3.39Å; C91-I129 VanDerWaalsContact SG-CD1 3.55Å; W127-I129 VanDerWaalsContact C-N 3.31Å; W127-I129 PolarHBondContact O-N 2.86Å; I129-V132 HydrophobicContact CG1-CB 4.4Å; I129-V132 HydrophobicContact CG1-CG2 3.89Å; I129-V132 WeakPolarHBondContact O-CG2 3.08Å; I129-K135 HydrophobicContact CD1-CB 4.25Å; I129-K135 HydrophobicContact CD1-CD 3.89Å
130	E	93.9	Very high	97.7	Very high	144 Å²	144	44.9 Å²	44.9	67%	0.673	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	144.5	166.7	-158.8	167.9	-158.7	0	0	109	V132 K135	E130-V132 VanDerWaalsContact C-N 3.33Å; E130-V132 PolarHBondContact O-N 3.35Å; E130-K135 WeakPolarHBondContact O-CD 3.26Å; E130-K135 PolarHBondContact O-NZ 3.04Å
131	D	95.8	Very high	97.6	Very high	83 Å²	83	46.5 Å²	46.5	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.5	176.9	-32.2	-53.3	0	0	0	115.4	M133 E134 K135	D131-M133 VanDerWaalsContact C-N 3.29Å; D131-M133 PolarHBondContact O-N 3.45Å; D131-M133 VanDerWaalsContact O-N 3.15Å; D131-E134 HydrophobicContact CB-CB 4.15Å; D131-E134 PolarHBondContact O-N 2.75Å; D131-E134 VanDerWaalsContact O-N 3.12Å; D131-K135 PolarHBondContact O-N 3.04Å; D131-K135 IonicContact OD2-NZ 3.17Å; D131-K135 PolarHBondContact OD2-NZ 3.36Å
132	V	96.9	Very high	97.5	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-45.7	-49.3	-175.2	-174	0	0	0	0	113	L126 M128 I129 E130 I136 L149	L126-V132 HydrophobicContact CD1-CG1 4.24Å; L126-V132 HydrophobicContact CD2-CG1 4.34Å; M128-V132 HydrophobicContact CE-CG2 4.02Å; I129-V132 HydrophobicContact CG1-CB 4.4Å; I129-V132 HydrophobicContact CG1-CG2 3.89Å; I129-V132 WeakPolarHBondContact O-CG2 3.08Å; E130-V132 VanDerWaalsContact C-N 3.33Å; E130-V132 PolarHBondContact O-N 3.35Å; V132-I136 HydrophobicContact CG1-CD1 3.83Å; V132-I136 WeakPolarHBondContact O-CD1 3.19Å; V132-I136 WeakPolarHBondContact O-CG1 3.48Å; V132-I136 PolarHBondContact O-N 2.96Å; V132-I136 VanDerWaalsContact O-N 3.14Å; V132-L149 HydrophobicContact CB-CD1 3.97Å; V132-L149 HydrophobicContact CG1-CD1 3.55Å
133	M	97.9	Very high	97.4	Very high	71 Å²	71	53.5 Å²	53.5	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-70.5	-41.3	-176.1	-63.3	-163	-64	0	0	112.4	D131 I136 N137 V146 L149	D131-M133 VanDerWaalsContact C-N 3.29Å; D131-M133 PolarHBondContact O-N 3.45Å; D131-M133 VanDerWaalsContact O-N 3.15Å; M133-I136 PolarHBondContact O-N 3.43Å; M133-N137 VanDerWaalsContact O-CB 3.32Å; M133-N137 WeakPolarHBondContact O-CB 3.31Å; M133-N137 PolarHBondContact O-N 3.27Å; M133-N137 PolarHBondContact O-ND2 2.59Å; M133-V146 HydrophobicContact CB-CG1 4.5Å; M133-V146 HydrophobicContact CG-CG1 4.07Å; M133-V146 HydrophobicContact SD-CG1 4.1Å; M133-L149 HydrophobicContact CG-CB 3.77Å; M133-L149 HydrophobicContact CG-CD1 4.13Å; M133-L149 HydrophobicContact SD-CB 3.55Å; M133-L149 VanDerWaalsContact SD-CB 3.55Å; M133-L149 PolarHBondContact SD-N 3.49Å; M133-L149 VanDerWaalsContact SD-N 3.42Å
134	E	98.2	Very high	97.4	Very high	141 Å²	141	53.5 Å²	53.5	66%	0.659	27%	0.273	S	S	*	.	H	α-helix	trans	-63.6	-45.7	178.4	-170.3	-177.1	155.9	0	0	111	D131 I136 N137 S138	D131-E134 HydrophobicContact CB-CB 4.15Å; D131-E134 PolarHBondContact O-N 2.75Å; D131-E134 VanDerWaalsContact O-N 3.12Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 3.4Å; E134-N137 PolarHBondContact O-N 2.93Å; E134-S138 WeakPolarHBondContact O-CB 3.41Å; E134-S138 PolarHBondContact O-N 3.16Å; E134-S138 PolarHBondContact O-OG 3.07Å
135	K	98.3	Very high	97.4	Very high	71 Å²	71	56.6 Å²	56.6	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-68.2	-28.1	179.7	-69.7	173.1	-175.5	136.6	0	113.4	S89 I129 E130 D131 S138 N139	S89-K135 VanDerWaalsContact CB-O 3.31Å; S89-K135 WeakPolarHBondContact CB-O 3.48Å; I129-K135 HydrophobicContact CD1-CB 4.25Å; I129-K135 HydrophobicContact CD1-CD 3.89Å; E130-K135 WeakPolarHBondContact O-CD 3.26Å; E130-K135 PolarHBondContact O-NZ 3.04Å; D131-K135 PolarHBondContact O-N 3.04Å; D131-K135 IonicContact OD2-NZ 3.17Å; D131-K135 PolarHBondContact OD2-NZ 3.36Å; K135-S138 PolarHBondContact O-OG 3.39Å; K135-N139 PolarHBondContact O-ND2 3.07Å
136	I	98.6	Very high	97.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73.6	-48.8	169.2	-64.9	163.3	0	0	0	109.8	L82 A85 L86 V132 M133 E134 S138 N139 L140 V146	L82-I136 HydrophobicContact CD1-CG2 4.37Å; A85-I136 HydrophobicContact CB-CG2 4.04Å; L86-I136 HydrophobicContact CD2-CD1 3.58Å; L86-I136 HydrophobicContact CD2-CG1 4.03Å; V132-I136 HydrophobicContact CG1-CD1 3.83Å; V132-I136 WeakPolarHBondContact O-CD1 3.19Å; V132-I136 WeakPolarHBondContact O-CG1 3.48Å; V132-I136 PolarHBondContact O-N 2.96Å; V132-I136 VanDerWaalsContact O-N 3.14Å; M133-I136 PolarHBondContact O-N 3.43Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 3.4Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 2.87Å; I136-N139 PolarHBondContact O-N 3.36Å; I136-L140 HydrophobicContact CG2-CD1 3.88Å; I136-L140 HydrophobicContact CG2-CG 4.36Å; I136-L140 PolarHBondContact O-N 3.02Å; I136-V146 HydrophobicContact CB-CG2 4.36Å; I136-V146 HydrophobicContact CG2-CG2 3.65Å
137	N	98.6	Very high	97.5	Very high	33 Å²	33	55 Å²	55	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-33.7	-177.3	-78.8	-29.8	0	0	0	113.7	M133 E134 N139 L140 R145 V146	M133-N137 VanDerWaalsContact O-CB 3.32Å; M133-N137 WeakPolarHBondContact O-CB 3.31Å; M133-N137 PolarHBondContact O-N 3.27Å; M133-N137 PolarHBondContact O-ND2 2.59Å; E134-N137 PolarHBondContact O-N 2.93Å; N137-N139 PolarHBondContact O-N 3.39Å; N137-L140 PolarHBondContact O-N 2.95Å; N137-L140 VanDerWaalsContact O-N 3.09Å; N137-R145 PolarHBondContact O-NH1 2.79Å; N137-V146 PolarHBondContact ND2-O 3.25Å; N137-V146 PolarHBondContact OD1-N 3.11Å
138	S	98.4	Very high	97.5	Very high	92 Å²	92	50.5 Å²	50.5	64%	0.643	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.6	174.4	65.6	0	0	0	0	113.6	E134 K135 I136	E134-S138 WeakPolarHBondContact O-CB 3.41Å; E134-S138 PolarHBondContact O-N 3.16Å; E134-S138 PolarHBondContact O-OG 3.07Å; K135-S138 PolarHBondContact O-OG 3.39Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 2.87Å
139	N	98.4	Very high	97.6	Very high	50 Å²	50	50 Å²	50	27%	0.267	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	3.2	174.3	-73.2	-82	0	0	0	113.4	A85 K88 K135 I136 N137	A85-N139 HydrophobicContact CB-CB 3.76Å; K88-N139 HydrophobicContact CB-CB 4.28Å; K88-N139 VanDerWaalsContact CB-OD1 3.27Å; K88-N139 WeakPolarHBondContact CB-OD1 3.32Å; K88-N139 HydrophobicContact CD-CB 4.44Å; K88-N139 VanDerWaalsContact CD-OD1 3.29Å; K88-N139 WeakPolarHBondContact CD-OD1 3.42Å; K135-N139 PolarHBondContact O-ND2 3.07Å; I136-N139 PolarHBondContact O-N 3.36Å; N137-N139 PolarHBondContact O-N 3.39Å
140	L	98.4	Very high	97.6	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	26%	0.26	C	S	.	.	S	Bend	trans	-106.1	140.6	178.2	-74.9	173.2	0	0	0	112.1	E81 A85 I136 N137 I144 R145 V146	E81-L140 HydrophobicContact CB-CD2 4.12Å; A85-L140 HydrophobicContact CB-CD2 3.73Å; A85-L140 HydrophobicContact CB-CG 3.75Å; I136-L140 HydrophobicContact CG2-CD1 3.88Å; I136-L140 HydrophobicContact CG2-CG 4.36Å; I136-L140 PolarHBondContact O-N 3.02Å; N137-L140 PolarHBondContact O-N 2.95Å; N137-L140 VanDerWaalsContact O-N 3.09Å; L140-I144 HydrophobicContact CD1-CG2 4.12Å; L140-I144 HydrophobicContact CD2-CB 4.38Å; L140-I144 HydrophobicContact CD2-CG2 4.03Å; L140-R145 PolarHBondContact O-NH1 2.63Å; L140-V146 HydrophobicContact CD1-CG2 4.19Å
141	P	97.7	Very high	97.7	Very high	35 Å²	35	50.1 Å²	50.1	23%	0.227	25%	0.253	C	S	.	.			trans	-60.8	152.2	172.5	28.5	-35	0	0	0	110.7	E81 Q143 I144 R145	E81-P141 HydrophobicContact CG-CG 4.41Å; P141-Q143 PolarHBondContact O-N 2.88Å; P141-Q143 VanDerWaalsContact O-N 3.08Å; P141-I144 HydrophobicContact CG-CB 4.4Å; P141-I144 HydrophobicContact CG-CD1 3.99Å; P141-I144 HydrophobicContact CG-CG1 4.12Å; P141-I144 PolarHBondContact O-N 2.91Å; P141-R145 PolarHBondContact O-NH1 3.26Å
142	P	96.8	Very high	97.6	Very high	81 Å²	81	47 Å²	47	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-41.6	-175.5	-30.6	36.5	0	0	0	114.6	I144	P142-I144 PolarHBondContact O-N 3.23Å
143	Q	96.4	Very high	97.3	Very high	66 Å²	66	48.5 Å²	48.5	31%	0.308	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	10.3	179.1	72.8	-169.2	85.5	0	0	115.8	Y58 S59 K61 Y63 P141	Y58-Q143 CarbonylContact C-O 3.54Å; Y58-Q143 WeakPolarHBondContact CA-O 3.38Å; S59-Q143 PolarHBondContact N-O 3.42Å; K61-Q143 PolarHBondContact O-NE2 3.36Å; Y63-Q143 HydrophobicContact CE2-CG 4.21Å; P141-Q143 PolarHBondContact O-N 2.88Å; P141-Q143 VanDerWaalsContact O-N 3.08Å
144	I	98.6	Very high	97.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.7	170.3	-53.3	178.5	0	0	0	109	A57 Y63 I78 E81 L140 P141 P142	A57-I144 WeakPolarHBondContact O-CA 3.37Å; Y63-I144 HydrophobicContact CE1-CD1 4.31Å; Y63-I144 HydrophobicContact CE2-CD1 4.01Å; Y63-I144 HydrophobicContact CE2-CG1 4.37Å; I78-I144 HydrophobicContact CD1-CD1 3.84Å; I78-I144 HydrophobicContact CD1-CG1 4.26Å; I78-I144 HydrophobicContact CG2-CD1 4.43Å; I78-I144 HydrophobicContact CG2-CG2 4.49Å; E81-I144 HydrophobicContact CB-CD1 3.7Å; E81-I144 HydrophobicContact CG-CD1 3.9Å; L140-I144 HydrophobicContact CD1-CG2 4.12Å; L140-I144 HydrophobicContact CD2-CB 4.38Å; L140-I144 HydrophobicContact CD2-CG2 4.03Å; P141-I144 HydrophobicContact CG-CB 4.4Å; P141-I144 HydrophobicContact CG-CD1 3.99Å; P141-I144 HydrophobicContact CG-CG1 4.12Å; P141-I144 PolarHBondContact O-N 2.91Å; P142-I144 PolarHBondContact O-N 3.23Å
145	R	98.7	Very high	96.9	Very high	65 Å²	65	44.5 Å²	44.5	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.5	179	-67.9	-68.9	171.8	-117.3	21	112.9	L56 A57 N137 L140 P141 L147 F335	L56-R145 WeakPolarHBondContact CA-O 3.38Å; A57-R145 PolarHBondContact N-O 3.01Å; A57-R145 PolarHBondContact O-N 3.01Å; N137-R145 PolarHBondContact O-NH1 2.79Å; L140-R145 PolarHBondContact O-NH1 2.63Å; P141-R145 PolarHBondContact O-NH1 3.26Å; R145-L147 HydrophobicContact CB-CD2 3.79Å; R145-L147 HydrophobicContact CB-CG 4.4Å; R145-F335 HydrophobicContact CB-CD2 4Å; R145-F335 HydrophobicContact CB-CE2 3.88Å; R145-F335 HydrophobicContact CG-CD2 3.78Å; R145-F335 HydrophobicContact CG-CE2 3.57Å
146	V	98.7	Very high	96.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.3	157.1	-178.2	0	0	0	0	107	L54 L55 L56 L82 M133 I136 N137 L140	L54-V146 HydrophobicContact CB-CG1 4.39Å; L54-V146 HydrophobicContact CD1-CG2 4.48Å; L54-V146 HydrophobicContact CD2-CG1 4.23Å; L55-V146 WeakPolarHBondContact O-CA 3.33Å; L56-V146 HydrophobicContact CD2-CB 4.41Å; L56-V146 HydrophobicContact CD2-CG2 3.7Å; L82-V146 HydrophobicContact CD1-CG2 4.47Å; M133-V146 HydrophobicContact CB-CG1 4.5Å; M133-V146 HydrophobicContact CG-CG1 4.07Å; M133-V146 HydrophobicContact SD-CG1 4.1Å; I136-V146 HydrophobicContact CB-CG2 4.36Å; I136-V146 HydrophobicContact CG2-CG2 3.65Å; N137-V146 PolarHBondContact ND2-O 3.25Å; N137-V146 PolarHBondContact OD1-N 3.11Å; L140-V146 HydrophobicContact CD1-CG2 4.19Å
147	L	98.4	Very high	96.6	Very high	31 Å²	31	43.2 Å²	43.2	16%	0.162	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-26.2	-178.9	-61.7	-176.9	0	0	0	112.8	L55 A57 R145 E328 A331 I332	L55-L147 HydrophobicContact CD2-CB 3.82Å; L55-L147 HydrophobicContact CG-CB 4.15Å; L55-L147 PolarHBondContact O-N 3Å; A57-L147 HydrophobicContact CB-CD1 3.62Å; A57-L147 HydrophobicContact CB-CG 4.17Å; R145-L147 HydrophobicContact CB-CD2 3.79Å; R145-L147 HydrophobicContact CB-CG 4.4Å; L147-E328 WeakPolarHBondContact O-CG 3.31Å; L147-A331 HydrophobicContact CD2-CB 4.33Å; L147-I332 HydrophobicContact CD1-CB 4.31Å; L147-I332 HydrophobicContact CD1-CG1 3.69Å
148	G	98.1	Very high	96.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	153.8	-178.4	0	0	0	0	0	112.6	L54 L55	L54-G148 WeakPolarHBondContact CA-O 3.4Å; L55-G148 PolarHBondContact N-O 2.91Å
149	L	97.6	Very high	96.4	Very high	35 Å²	35	42.1 Å²	42.1	18%	0.183	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.3	180	-178.9	160.3	0	0	0	109.5	V52 V53 L54 M128 V132 M133	V52-L149 HydrophobicContact CB-CD2 4.47Å; V52-L149 HydrophobicContact CG1-CD2 4.24Å; V53-L149 WeakPolarHBondContact O-CA 3.31Å; L54-L149 HydrophobicContact CD2-CB 3.88Å; L54-L149 HydrophobicContact CD2-CD1 3.6Å; L54-L149 HydrophobicContact CD2-CG 3.61Å; M128-L149 HydrophobicContact CE-CD2 4.18Å; V132-L149 HydrophobicContact CB-CD1 3.97Å; V132-L149 HydrophobicContact CG1-CD1 3.55Å; M133-L149 HydrophobicContact CG-CB 3.77Å; M133-L149 HydrophobicContact CG-CD1 4.13Å; M133-L149 HydrophobicContact SD-CB 3.55Å; M133-L149 VanDerWaalsContact SD-CB 3.55Å; M133-L149 PolarHBondContact SD-N 3.49Å; M133-L149 VanDerWaalsContact SD-N 3.42Å
150	K	95.7	Very high	96.1	Very high	30 Å²	30	45.5 Å²	45.5	13%	0.13	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.5	176.9	-69	-174.7	176.8	-174.7	0	111.9	V52 V53 L323 E324 W325	V52-K150 CarbonylContact C-O 3.47Å; V52-K150 VanDerWaalsContact CA-O 3.29Å; V52-K150 WeakPolarHBondContact CA-O 3.41Å; V52-K150 WeakPolarHBondContact CB-O 3.47Å; V53-K150 PolarHBondContact N-O 3.25Å; V53-K150 PolarHBondContact O-N 2.75Å; K150-L323 HydrophobicContact CB-CD2 4.16Å; K150-E324 PolarHBondContact NZ-O 3.38Å; K150-W325 HydrophobicContact CB-CH2 4.17Å; K150-W325 HydrophobicContact CB-CZ3 4.44Å; K150-W325 HydrophobicContact CD-CE3 4.29Å; K150-W325 HydrophobicContact CD-CH2 4.1Å; K150-W325 HydrophobicContact CD-CZ3 3.8Å; K150-W325 HydrophobicContact CG-CH2 3.96Å; K150-W325 HydrophobicContact CG-CZ3 3.75Å
151	R	94.4	Very high	96	Very high	143 Å²	143	46.8 Å²	46.8	54%	0.54	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.7	177.5	-66.5	179.2	-59.1	166.1	7.8	109.7	V52 E321	V52-R151 HydrophobicContact CG1-CG 4.47Å; R151-E321 IonicContact NH2-OE1 3.15Å
152	V	93.8	Very high	95.8	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.103	26%	0.26	C	S	.	.			trans	-139.8	167.9	-178.3	-67.6	0	0	0	0	111.6	K51 V53 F156 L323	K51-V152 HydrophobicContact CB-CG2 4.31Å; K51-V152 HydrophobicContact CG-CG2 3.64Å; K51-V152 PolarHBondContact O-N 3.23Å; V53-V152 HydrophobicContact CG2-CB 4.34Å; V53-V152 HydrophobicContact CG2-CG1 3.55Å; V53-V152 HydrophobicContact CG2-CG2 3.85Å; V152-F156 HydrophobicContact CB-CB 3.9Å; V152-F156 HydrophobicContact CB-CD1 4.24Å; V152-F156 HydrophobicContact CB-CG 4.01Å; V152-F156 HydrophobicContact CG1-CD1 4.34Å; V152-F156 HydrophobicContact CG1-CG 4.36Å; V152-F156 HydrophobicContact CG2-CB 3.68Å; V152-F156 HydrophobicContact CG2-CD1 3.78Å; V152-F156 HydrophobicContact CG2-CG 3.9Å; V152-L323 HydrophobicContact CG1-CD1 4.41Å; V152-L323 HydrophobicContact CG1-CD2 4.05Å
153	T	92.1	Very high	95.8	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.27	24%	0.241	S	C	.	.			trans	-55.3	147.6	174.8	59.4	0	0	0	0	112	G155 F156 H320	T153-G155 PolarHBondContact O-N 2.44Å; T153-F156 WeakPolarHBondContact O-CB 3.36Å; T153-F156 PolarHBondContact O-N 3.24Å; T153-H320 WeakPolarHBondContact CG2-NE2 3.28Å
154	G	93.2	Very high	95.8	Very high	55 Å²	55	40 Å²	40	57%	0.567	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.1	-177.4	0	0	0	0	0	115.3
155	G	93.6	Very high	95.8	Very high	73 Å²	73	41.3 Å²	41.3	75%	0.753	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.9	176.3	0	0	0	0	0	115.2	T153 N157	T153-G155 PolarHBondContact O-N 2.44Å; G155-N157 PolarHBondContact O-N 2.96Å
156	F	95.1	Very high	95.8	Very high	9 Å²	9	39.2 Å²	39.2	4%	0.039	23%	0.228	C	C	.	.			trans	-62.3	135.1	-178.9	-176.9	-95.9	0	0	0	112.3	K51 V53 V152 T153 S158 S161 F307 Y310 L323	K51-F156 WeakPolarHBondContact CE-O 3.08Å; K51-F156 PolarHBondContact NZ-O 3Å; K51-F156 VanDerWaalsContact NZ-O 3.08Å; V53-F156 HydrophobicContact CG2-CD1 3.75Å; V53-F156 HydrophobicContact CG2-CE1 3.41Å; V53-F156 VanDerWaalsContact CG2-CE1 3.41Å; V53-F156 HydrophobicContact CG2-CZ 4.27Å; V152-F156 HydrophobicContact CB-CB 3.9Å; V152-F156 HydrophobicContact CB-CD1 4.24Å; V152-F156 HydrophobicContact CB-CG 4.01Å; V152-F156 HydrophobicContact CG1-CD1 4.34Å; V152-F156 HydrophobicContact CG1-CG 4.36Å; V152-F156 HydrophobicContact CG2-CB 3.68Å; V152-F156 HydrophobicContact CG2-CD1 3.78Å; V152-F156 HydrophobicContact CG2-CG 3.9Å; T153-F156 WeakPolarHBondContact O-CB 3.36Å; T153-F156 PolarHBondContact O-N 3.24Å; F156-S158 VanDerWaalsContact CE1-CA 3.5Å; F156-S161 VanDerWaalsContact CE2-CB 3.44Å; F156-S161 WeakPolarHBondContact CE2-OG 3.28Å; F156-F307 HydrophobicContact CZ-CD1 4.24Å; F156-F307 AromaticContact CZ-CE1 3.83Å; F156-F307 HydrophobicContact CZ-CE1 3.83Å; F156-F307 HydrophobicContact CZ-CZ 4.44Å; F156-Y310 AromaticContact CD2-CD2 3.72Å; F156-Y310 HydrophobicContact CD2-CD2 3.72Å; F156-Y310 AromaticContact CD2-CE2 3.58Å; F156-Y310 HydrophobicContact CD2-CE2 3.58Å; F156-Y310 AromaticContact CE2-CD2 3.46Å; F156-Y310 HydrophobicContact CE2-CD2 3.46Å; F156-Y310 VanDerWaalsContact CE2-CD2 3.46Å; F156-Y310 AromaticContact CE2-CE2 3.67Å; F156-Y310 HydrophobicContact CE2-CE2 3.67Å; F156-Y310 HydrophobicContact CE2-CG 4.03Å; F156-L323 HydrophobicContact CE1-CD1 4Å; F156-L323 HydrophobicContact CE2-CD1 3.67Å; F156-L323 HydrophobicContact CZ-CD1 3.27Å
157	N	96.6	Very high	95.8	Very high	34 Å²	34	40 Å²	40	18%	0.182	23%	0.231	C	C	.	.			trans	-130.5	106.5	174.8	-179.4	-27.3	0	0	0	109	Q106 G155 K159 N160 S161	Q106-N157 WeakPolarHBondContact CG-OD1 3.33Å; Q106-N157 PolarHBondContact OE1-ND2 2.94Å; Q106-N157 PolarHBondContact OE1-OD1 3.21Å; G155-N157 PolarHBondContact O-N 2.96Å; N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.49Å; N157-K159 WeakPolarHBondContact OD1-CB 3.43Å; N157-K159 PolarHBondContact OD1-N 3.06Å; N157-N160 HydrophobicContact CB-CB 4.21Å; N157-N160 PolarHBondContact O-N 2.97Å; N157-N160 PolarHBondContact OD1-N 3.41Å; N157-S161 WeakPolarHBondContact O-CB 3.33Å; N157-S161 PolarHBondContact O-N 3.48Å; N157-S161 PolarHBondContact O-OG 3.47Å
158	S	96.1	Very high	95.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.4	-38.7	-177	58.5	0	0	0	0	113.7	Q106 C108 S123 F156 N160 C162	Q106-S158 PolarHBondContact O-OG 3.31Å; C108-S158 WeakPolarHBondContact SG-CB 3.12Å; C108-S158 PolarHBondContact SG-O 3.44Å; S123-S158 PolarHBondContact N-OG 2.91Å; S123-S158 WeakPolarHBondContact OG-CB 3.23Å; S123-S158 PolarHBondContact OG-N 2.89Å; S123-S158 VanDerWaalsContact OG-N 3.11Å; S123-S158 PolarHBondContact OG-OG 3.06Å; F156-S158 VanDerWaalsContact CE1-CA 3.5Å; S158-N160 PolarHBondContact O-N 2.88Å; S158-C162 VanDerWaalsContact O-CB 3.25Å; S158-C162 WeakPolarHBondContact O-CB 3.25Å; S158-C162 PolarHBondContact O-N 2.91Å
159	K	95.3	Very high	95.9	Very high	102 Å²	102	38.7 Å²	38.7	44%	0.443	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-45.8	176.8	-173.5	-170.6	173	-171.4	0	112.1	R107 N157	R107-K159 WeakPolarHBondContact O-CB 3.41Å; N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.49Å; N157-K159 WeakPolarHBondContact OD1-CB 3.43Å; N157-K159 PolarHBondContact OD1-N 3.06Å
160	N	93.7	Very high	95.9	Very high	121 Å²	121	37.1 Å²	37.1	65%	0.647	22%	0.215	S	C	*	.	H	α-helix	trans	-83.8	-24.6	-172.8	-64.3	1.4	0	0	0	112.8	N157 S158	N157-N160 HydrophobicContact CB-CB 4.21Å; N157-N160 PolarHBondContact O-N 2.97Å; N157-N160 PolarHBondContact OD1-N 3.41Å; S158-N160 PolarHBondContact O-N 2.88Å
161	S	94.9	Very high	96	Very high	37 Å²	37	35.8 Å²	35.8	26%	0.259	21%	0.209	S	C	.	.	H	α-helix	trans	-90	-7.2	177.1	-62.4	0	0	0	0	113.9	F156 N157 F307	F156-S161 VanDerWaalsContact CE2-CB 3.44Å; F156-S161 WeakPolarHBondContact CE2-OG 3.28Å; N157-S161 WeakPolarHBondContact O-CB 3.33Å; N157-S161 PolarHBondContact O-N 3.48Å; N157-S161 PolarHBondContact O-OG 3.47Å; S161-F307 WeakPolarHBondContact O-CD1 3.48Å
162	C	94.8	Very high	96.1	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.081	19%	0.188	C	C	.	.			trans	-81.8	120.7	178.5	170.6	0	0	0	0	112	S158 A164 R165 V305 H306 F307	S158-C162 VanDerWaalsContact O-CB 3.25Å; S158-C162 WeakPolarHBondContact O-CB 3.25Å; S158-C162 PolarHBondContact O-N 2.91Å; C162-A164 PolarHBondContact SG-O 3.32Å; C162-R165 PolarHBondContact O-NH1 3.22Å; C162-R165 PolarHBondContact SG-NH1 3.13Å; C162-R165 PolarHBondContact SG-NH2 3.44Å; C162-V305 HydrophobicContact CB-CG1 4Å; C162-V305 WeakPolarHBondContact SG-CG1 3.45Å; C162-H306 WeakPolarHBondContact CA-O 3.45Å; C162-F307 HydrophobicContact CB-CD1 4.43Å; C162-F307 HydrophobicContact CB-CE1 3.89Å; C162-F307 HydrophobicContact CB-CZ 4.34Å
163	D	95.4	Very high	96.3	Very high	22 Å²	22	28.9 Å²	28.9	12%	0.118	18%	0.184	C	C	.	.			trans	-86.3	-36.3	-173.6	-67.6	-60.6	0	0	0	113.7	Q254 H306 D308 R309	D163-Q254 WeakPolarHBondContact O-CA 3.48Å; D163-H306 PolarHBondContact N-O 3.18Å; D163-D308 PolarHBondContact OD2-N 3.18Å; D163-R309 WeakPolarHBondContact OD1-CD 3.37Å; D163-R309 WeakPolarHBondContact OD1-CG 3.39Å; D163-R309 IonicContact OD1-CZ 3.74Å; D163-R309 IonicContact OD1-NE 2.88Å; D163-R309 PolarHBondContact OD1-NE 3.24Å; D163-R309 VanDerWaalsContact OD1-NE 3.13Å; D163-R309 IonicContact OD1-NH1 2.81Å; D163-R309 PolarHBondContact OD1-NH1 3.22Å; D163-R309 WeakPolarHBondContact OD2-CB 3.33Å; D163-R309 PolarHBondContact OD2-N 2.83Å
164	A	97.7	Very high	96.5	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.7	-178.5	0	0	0	0	0	111.7	C162 G253 H306	C162-A164 PolarHBondContact SG-O 3.32Å; A164-G253 CarbonylContact C-O 3.47Å; A164-G253 VanDerWaalsContact CA-O 3.3Å; A164-G253 WeakPolarHBondContact CA-O 3.5Å; A164-G253 WeakPolarHBondContact CB-O 3.47Å; A164-H306 HydrophobicContact CB-CB 4.02Å; A164-H306 WeakPolarHBondContact O-CB 3.17Å; A164-H306 PolarHBondContact O-CD2 2.8Å; A164-H306 PolarHBondContact O-N 2.97Å
165	R	98.3	Very high	96.6	Very high	29 Å²	29	24.8 Å²	24.8	11%	0.109	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.2	170.3	-60	85.3	172.2	138.4	9.7	108.7	C108 C162 Y167 R252 G253 Q254 F256 L302 K304	C108-R165 PolarHBondContact O-NE 3.17Å; C108-R165 PolarHBondContact O-NH2 2.71Å; C162-R165 PolarHBondContact O-NH1 3.22Å; C162-R165 PolarHBondContact SG-NH1 3.13Å; C162-R165 PolarHBondContact SG-NH2 3.44Å; R165-Y167 HydrophobicContact CB-CD2 4.14Å; R165-Y167 HydrophobicContact CB-CE2 3.69Å; R165-Y167 HydrophobicContact CG-CE2 4.41Å; R165-R252 WeakPolarHBondContact O-CA 3.33Å; R165-G253 PolarHBondContact N-O 3.36Å; R165-G253 PolarHBondContact O-N 3.5Å; R165-G253 VanDerWaalsContact O-N 3.08Å; R165-Q254 PolarHBondContact NH1-O 2.96Å; R165-F256 HydrophobicContact CB-CD2 4.43Å; R165-F256 HydrophobicContact CB-CE2 4.15Å; R165-L302 HydrophobicContact CB-CD1 4.12Å; R165-L302 HydrophobicContact CG-CD1 4.38Å; R165-K304 CarbonylContact C-O 3.59Å; R165-K304 WeakPolarHBondContact CA-O 2.98Å
166	T	98.6	Very high	96.8	Very high	22 Å²	22	21.4 Å²	21.4	14%	0.135	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.8	163.4	-61.1	0	0	0	0	108.1	T250 V251 E303 K304 H306	T166-T250 HydrophobicContact CG2-CG2 3.8Å; T166-V251 CarbonylContact C-O 3.56Å; T166-V251 VanDerWaalsContact CA-O 3.32Å; T166-V251 WeakPolarHBondContact CA-O 3.45Å; T166-E303 HydrophobicContact CG2-CB 4.23Å; T166-E303 PolarHBondContact O-N 3.26Å; T166-K304 PolarHBondContact N-O 2.87Å; T166-K304 PolarHBondContact O-N 2.93Å; T166-H306 PolarHBondContact OG1-NE2 3.25Å
167	Y	98.8	Very high	96.8	Very high	20 Å²	20	21.1 Å²	21.1	8%	0.078	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.4	168.6	-71.8	-101.7	0	0	0	109.3	R165 V251 F256 I261 L300 V301 L302	R165-Y167 HydrophobicContact CB-CD2 4.14Å; R165-Y167 HydrophobicContact CB-CE2 3.69Å; R165-Y167 HydrophobicContact CG-CE2 4.41Å; Y167-V251 PolarHBondContact N-O 3.04Å; Y167-V251 PolarHBondContact O-N 3.38Å; Y167-F256 HydrophobicContact CD2-CD2 4.12Å; Y167-F256 AromaticContact CD2-CE2 3.86Å; Y167-F256 HydrophobicContact CD2-CE2 3.86Å; Y167-F256 HydrophobicContact CD2-CZ 4.47Å; Y167-F256 AromaticContact CE2-CD2 3.77Å; Y167-F256 HydrophobicContact CE2-CD2 3.77Å; Y167-F256 AromaticContact CE2-CE2 3.94Å; Y167-F256 HydrophobicContact CE2-CE2 3.94Å; Y167-I261 HydrophobicContact CD1-CD1 4.07Å; Y167-I261 HydrophobicContact CD2-CD1 3.37Å; Y167-I261 HydrophobicContact CE1-CD1 4.47Å; Y167-I261 HydrophobicContact CE2-CD1 3.84Å; Y167-I261 HydrophobicContact CG-CD1 3.5Å; Y167-I261 VanDerWaalsContact CG-CD1 3.5Å; Y167-L300 HydrophobicContact CD1-CD1 3.89Å; Y167-L300 HydrophobicContact CD1-CG 4.07Å; Y167-L300 HydrophobicContact CG-CD1 4.32Å; Y167-V301 CarbonylContact C-O 3.56Å; Y167-V301 WeakPolarHBondContact CA-O 3.35Å; Y167-V301 WeakPolarHBondContact CB-O 3.49Å; Y167-V301 WeakPolarHBondContact CD1-O 3.35Å; Y167-L302 HydrophobicContact CD1-CB 4.01Å; Y167-L302 HydrophobicContact CD1-CD1 4.38Å; Y167-L302 HydrophobicContact CD2-CD1 4.29Å; Y167-L302 HydrophobicContact CE1-CB 3.68Å; Y167-L302 HydrophobicContact CE1-CD1 3.99Å; Y167-L302 HydrophobicContact CE1-CG 4.39Å; Y167-L302 HydrophobicContact CE2-CD1 3.89Å
168	S	98.6	Very high	96.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	157.7	161.4	64.7	0	0	0	0	109.7	I249 V301 E303	S168-I249 CarbonylContact C-O 3.48Å; S168-I249 WeakPolarHBondContact CA-O 3.46Å; S168-V301 PolarHBondContact N-O 2.97Å; S168-V301 PolarHBondContact O-N 2.81Å; S168-V301 WeakPolarHBondContact OG-CB 3.42Å; S168-E303 WeakPolarHBondContact CB-OE1 3.48Å; S168-E303 WeakPolarHBondContact OG-CG 3.38Å; S168-E303 PolarHBondContact OG-OE1 3.31Å
169	Y	98.6	Very high	96.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	105.7	169.8	-169.1	-85.2	0	0	0	109.2	L171 I249 I265 P296 G299 L300 M354	Y169-L171 HydrophobicContact CD1-CB 4.14Å; Y169-L171 HydrophobicContact CD1-CD2 4.26Å; Y169-L171 HydrophobicContact CE1-CB 3.86Å; Y169-L171 HydrophobicContact CE1-CD1 4.37Å; Y169-I249 HydrophobicContact CD1-CD1 4.26Å; Y169-I249 PolarHBondContact N-O 2.85Å; Y169-I249 PolarHBondContact O-N 3.09Å; Y169-I265 VanDerWaalsContact CB-CD1 3.46Å; Y169-I265 HydrophobicContact CD1-CD1 3.88Å; Y169-I265 HydrophobicContact CD1-CG2 4.34Å; Y169-I265 HydrophobicContact CD2-CD1 3.81Å; Y169-I265 HydrophobicContact CE1-CG2 4.34Å; Y169-I265 HydrophobicContact CG-CD1 3.43Å; Y169-I265 VanDerWaalsContact CG-CD1 3.43Å; Y169-P296 WeakPolarHBondContact CE2-O 3.25Å; Y169-P296 PolarHBondContact OH-O 2.96Å; Y169-P296 VanDerWaalsContact OH-O 3.11Å; Y169-G299 VanDerWaalsContact CA-O 3.28Å; Y169-G299 WeakPolarHBondContact CA-O 3.22Å; Y169-L300 HydrophobicContact CD2-CB 3.72Å; Y169-L300 HydrophobicContact CD2-CD1 4Å; Y169-L300 HydrophobicContact CD2-CG 4.46Å; Y169-L300 HydrophobicContact CE2-CB 4.06Å; Y169-M354 HydrophobicContact CE1-CE 4.03Å; Y169-M354 WeakPolarHBondContact OH-CE 3.42Å
170	M	98.2	Very high	95.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.3	176.2	-177.6	-179.5	-62.3	0	0	110	F239 F246 A247 G299 Y341 I344 V345	M170-F239 HydrophobicContact CE-CE2 4.4Å; M170-F239 HydrophobicContact CE-CZ 3.86Å; M170-F239 HydrophobicContact CG-CZ 4.33Å; M170-F239 HydrophobicContact SD-CZ 4.22Å; M170-F246 HydrophobicContact CG-CB 4.42Å; M170-F246 HydrophobicContact CG-CD1 3.92Å; M170-F246 HydrophobicContact SD-CD1 4.28Å; M170-A247 WeakPolarHBondContact CA-O 3.45Å; M170-G299 PolarHBondContact N-O 2.89Å; M170-G299 VanDerWaalsContact O-CA 3.25Å; M170-G299 WeakPolarHBondContact O-CA 3.26Å; M170-Y341 HydrophobicContact CE-CD1 3.23Å; M170-Y341 HydrophobicContact CE-CD2 4.28Å; M170-Y341 HydrophobicContact CE-CE1 3.25Å; M170-Y341 HydrophobicContact CE-CE2 4.31Å; M170-Y341 HydrophobicContact CE-CG 3.73Å; M170-Y341 HydrophobicContact SD-CD1 4.3Å; M170-I344 HydrophobicContact CB-CG2 4.34Å; M170-I344 HydrophobicContact CG-CG2 4.32Å; M170-I344 HydrophobicContact SD-CG2 4.17Å; M170-V345 HydrophobicContact SD-CG2 4.09Å
171	L	97.7	Very high	95.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.9	178.4	73.7	171.1	0	0	0	113.5	Y169 T173 A175 F176 F246 A247 I249 I269 M354	Y169-L171 HydrophobicContact CD1-CB 4.14Å; Y169-L171 HydrophobicContact CD1-CD2 4.26Å; Y169-L171 HydrophobicContact CE1-CB 3.86Å; Y169-L171 HydrophobicContact CE1-CD1 4.37Å; L171-T173 PolarHBondContact O-N 2.95Å; L171-A175 HydrophobicContact CD1-CB 3.46Å; L171-A175 VanDerWaalsContact CD1-CB 3.46Å; L171-A175 HydrophobicContact CG-CB 4.29Å; L171-F176 HydrophobicContact CD1-CE2 4.33Å; L171-F176 HydrophobicContact CD1-CZ 4.06Å; L171-F176 HydrophobicContact CD2-CE2 4.4Å; L171-F176 HydrophobicContact CD2-CZ 4.47Å; L171-F246 VanDerWaalsContact C-CD1 3.45Å; L171-F246 CarbonylContact O-C 3.58Å; L171-F246 WeakPolarHBondContact O-CA 3.44Å; L171-A247 PolarHBondContact N-O 2.87Å; L171-A247 PolarHBondContact O-N 3.05Å; L171-I249 HydrophobicContact CD1-CD1 4.31Å; L171-I249 HydrophobicContact CD2-CD1 3.64Å; L171-I249 HydrophobicContact CD2-CG1 3.87Å; L171-I269 HydrophobicContact CD1-CD1 4.01Å; L171-M354 HydrophobicContact CB-CE 4.06Å; L171-M354 HydrophobicContact CD1-CE 4.34Å
172	P	97.4	Very high	94	Very high	15 Å²	15	33.8 Å²	33.8	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	131.6	165.8	-23	34.3	0	0	0	111.3	V174 A175 E245 F246 E348 M354	P172-V174 HydrophobicContact CB-CG1 3.92Å; P172-V174 PolarHBondContact O-N 3.01Å; P172-V174 VanDerWaalsContact O-N 3.16Å; P172-A175 VanDerWaalsContact O-CB 3.28Å; P172-A175 WeakPolarHBondContact O-CB 3.44Å; P172-A175 PolarHBondContact O-N 3.23Å; P172-E245 CarbonylContact C-O 3.54Å; P172-E245 WeakPolarHBondContact CA-O 3.43Å; P172-F246 HydrophobicContact CB-CE1 4.48Å; P172-F246 HydrophobicContact CG-CD1 4.19Å; P172-F246 HydrophobicContact CG-CE1 3.7Å; P172-F246 HydrophobicContact CG-CZ 4.18Å; P172-E348 HydrophobicContact CG-CB 3.95Å; P172-E348 HydrophobicContact CG-CG 3.93Å; P172-M354 HydrophobicContact CG-CB 4.27Å
173	T	97.6	Very high	92.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-67.1	-18.5	-173.5	55.6	0	0	0	0	114.3	L171 A175 F176 F189 L191 P238 E245 A247	L171-T173 PolarHBondContact O-N 2.95Å; T173-A175 PolarHBondContact O-N 3.25Å; T173-F176 PolarHBondContact O-N 2.67Å; T173-F189 VanDerWaalsContact O-CE1 3.24Å; T173-F189 WeakPolarHBondContact O-CE1 3.48Å; T173-L191 HydrophobicContact CG2-CB 4.12Å; T173-L191 HydrophobicContact CG2-CD2 4.21Å; T173-P238 HydrophobicContact CG2-CB 4.07Å; T173-E245 VanDerWaalsContact CB-OE2 3.27Å; T173-E245 WeakPolarHBondContact CB-OE2 3.3Å; T173-E245 HydrophobicContact CG2-CB 4.46Å; T173-E245 HydrophobicContact CG2-CG 3.87Å; T173-E245 VanDerWaalsContact CG2-OE2 3.3Å; T173-E245 WeakPolarHBondContact CG2-OE2 3.32Å; T173-E245 PolarHBondContact N-O 2.87Å; T173-E245 PolarHBondContact OG1-O 2.91Å; T173-E245 PolarHBondContact OG1-OE2 3.41Å; T173-A247 HydrophobicContact CG2-CB 3.89Å
174	V	95.9	Very high	91.4	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.079	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-55.6	-17.6	169.5	67.1	0	0	0	0	113.1	P172 F176 S177 Y181 F189 K273 M358	P172-V174 HydrophobicContact CB-CG1 3.92Å; P172-V174 PolarHBondContact O-N 3.01Å; P172-V174 VanDerWaalsContact O-N 3.16Å; V174-F176 PolarHBondContact O-N 3.38Å; V174-S177 WeakPolarHBondContact O-CB 3.48Å; V174-S177 PolarHBondContact O-N 3.39Å; V174-S177 VanDerWaalsContact O-N 3.09Å; V174-S177 PolarHBondContact O-OG 2.87Å; V174-Y181 HydrophobicContact CG2-CD1 4.27Å; V174-Y181 HydrophobicContact CG2-CE1 4.22Å; V174-F189 VanDerWaalsContact CA-CD1 3.46Å; V174-F189 HydrophobicContact CB-CB 3.9Å; V174-F189 HydrophobicContact CB-CD1 4.09Å; V174-F189 HydrophobicContact CB-CG 4.06Å; V174-F189 HydrophobicContact CG2-CB 4.04Å; V174-F189 HydrophobicContact CG2-CG 4.23Å; V174-K273 PolarHBondContact O-NZ 3.07Å; V174-M358 HydrophobicContact CG1-CE 4.09Å; V174-M358 HydrophobicContact CG2-CE 4.48Å
175	A	96.8	Very high	90.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-49.5	-40	164.3	0	0	0	0	0	112.7	L171 P172 T173 I269 K273 M354 M358	L171-A175 HydrophobicContact CD1-CB 3.46Å; L171-A175 VanDerWaalsContact CD1-CB 3.46Å; L171-A175 HydrophobicContact CG-CB 4.29Å; P172-A175 VanDerWaalsContact O-CB 3.28Å; P172-A175 WeakPolarHBondContact O-CB 3.44Å; P172-A175 PolarHBondContact O-N 3.23Å; T173-A175 PolarHBondContact O-N 3.25Å; A175-I269 HydrophobicContact CB-CD1 4.17Å; A175-I269 HydrophobicContact CB-CG1 4.42Å; A175-I269 WeakPolarHBondContact O-CG2 3.4Å; A175-K273 VanDerWaalsContact O-CD 3.23Å; A175-K273 WeakPolarHBondContact O-CD 3.05Å; A175-K273 WeakPolarHBondContact O-CG 3.4Å; A175-K273 PolarHBondContact O-NZ 3.29Å; A175-M354 HydrophobicContact CB-CG 4.26Å; A175-M354 HydrophobicContact CB-SD 4.19Å; A175-M358 VanDerWaalsContact CA-SD 3.58Å
176	F	97.4	Very high	89.7	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-92.3	6.7	-179.5	-54.3	-52.8	0	0	0	114.2	L171 T173 V174 L191 T195 V199 F203 I249 I269 V272	L171-F176 HydrophobicContact CD1-CE2 4.33Å; L171-F176 HydrophobicContact CD1-CZ 4.06Å; L171-F176 HydrophobicContact CD2-CE2 4.4Å; L171-F176 HydrophobicContact CD2-CZ 4.47Å; T173-F176 PolarHBondContact O-N 2.67Å; V174-F176 PolarHBondContact O-N 3.38Å; F176-L191 HydrophobicContact CB-CD1 3.81Å; F176-L191 HydrophobicContact CD2-CD1 4.16Å; F176-L191 HydrophobicContact CD2-CD2 4.18Å; F176-L191 HydrophobicContact CG-CD1 4.44Å; F176-T195 HydrophobicContact CB-CG2 4.17Å; F176-V199 HydrophobicContact CB-CG2 4.35Å; F176-V199 HydrophobicContact CD1-CG2 3.61Å; F176-V199 HydrophobicContact CD2-CG2 4.17Å; F176-V199 HydrophobicContact CE1-CG1 4.01Å; F176-V199 HydrophobicContact CE1-CG2 3.85Å; F176-V199 HydrophobicContact CE2-CG1 4.27Å; F176-V199 HydrophobicContact CE2-CG2 4.37Å; F176-V199 HydrophobicContact CG-CG2 3.78Å; F176-V199 HydrophobicContact CZ-CG1 3.82Å; F176-V199 HydrophobicContact CZ-CG2 4.22Å; F176-F203 HydrophobicContact CZ-CE2 4.48Å; F176-I249 HydrophobicContact CZ-CD1 4.27Å; F176-I269 HydrophobicContact CD1-CG1 4.31Å; F176-I269 HydrophobicContact CE1-CG1 3.88Å; F176-V272 HydrophobicContact CB-CG1 3.9Å; F176-V272 HydrophobicContact CD1-CB 4.41Å; F176-V272 HydrophobicContact CD1-CG1 4.13Å; F176-V272 HydrophobicContact CG-CG1 4.44Å
177	S	95.2	Very high	89.1	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.028	26%	0.256	C	S	.	.	S	Bend	trans	-64.3	151.2	173.2	83.2	0	0	0	0	111.2	V174 K273	V174-S177 WeakPolarHBondContact O-CB 3.48Å; V174-S177 PolarHBondContact O-N 3.39Å; V174-S177 VanDerWaalsContact O-N 3.09Å; V174-S177 PolarHBondContact O-OG 2.87Å; S177-K273 WeakPolarHBondContact O-CE 3.27Å; S177-K273 VanDerWaalsContact O-CG 3.31Å; S177-K273 WeakPolarHBondContact O-CG 3.45Å; S177-K273 PolarHBondContact O-NZ 3.4Å; S177-K273 PolarHBondContact OG-NZ 2.81Å
178	P	92.5	Very high	88.7	Confident	77 Å²	77	50.9 Å²	50.9	50%	0.5	27%	0.273	S	S	.	.			trans	-54	150.6	166.2	-24.7	34.7	0	0	0	111.6	D180 Y181	P178-D180 PolarHBondContact O-N 3.01Å; P178-Y181 WeakPolarHBondContact O-CB 3.15Å; P178-Y181 PolarHBondContact O-N 3.47Å
179	K	87.1	Confident	88.5	Confident	93 Å²	93	51.8 Å²	51.8	40%	0.404	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.4	178.1	65.4	-173.6	176.7	-166.1	0	113.6	Y181 K273 G274 Y275	K179-Y181 PolarHBondContact O-N 3.07Å; K179-K273 VanDerWaalsContact CB-O 3.29Å; K179-K273 WeakPolarHBondContact CB-O 3.1Å; K179-K273 PolarHBondContact N-O 3.37Å; K179-G274 WeakPolarHBondContact CD-O 3.5Å; K179-G274 PolarHBondContact NZ-O 3.06Å; K179-Y275 HydrophobicContact CB-CE2 4.11Å
180	D	85.3	Confident	88.3	Confident	106 Å²	106	56.3 Å²	56.3	57%	0.567	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	9.7	-179.7	-53.1	-59	0	0	0	112.9	P178 Y182	P178-D180 PolarHBondContact O-N 3.01Å; D180-Y182 VanDerWaalsContact C-N 3.33Å; D180-Y182 HydrophobicContact CB-CE2 4.29Å; D180-Y182 WeakPolarHBondContact O-CD2 3.39Å; D180-Y182 PolarHBondContact O-N 3.06Å
181	Y	84.8	Confident	88.3	Confident	83 Å²	83	56.8 Å²	56.8	33%	0.325	30%	0.296	S	S	.	.			trans	-76	82.9	173.3	-176.1	-104	0	0	0	110.7	V174 P178 K179 T183 F189	V174-Y181 HydrophobicContact CG2-CD1 4.27Å; V174-Y181 HydrophobicContact CG2-CE1 4.22Å; P178-Y181 WeakPolarHBondContact O-CB 3.15Å; P178-Y181 PolarHBondContact O-N 3.47Å; K179-Y181 PolarHBondContact O-N 3.07Å; Y181-T183 HydrophobicContact CD1-CG2 4.02Å; Y181-T183 HydrophobicContact CE1-CG2 3.27Å; Y181-F189 AromaticContact CD1-CD2 4Å; Y181-F189 HydrophobicContact CD1-CD2 4Å; Y181-F189 HydrophobicContact CD2-CD2 4.32Å; Y181-F189 HydrophobicContact CE1-CB 3.83Å; Y181-F189 AromaticContact CE1-CD2 3.63Å; Y181-F189 HydrophobicContact CE1-CD2 3.63Å; Y181-F189 HydrophobicContact CE1-CG 4.14Å; Y181-F189 AromaticContact CE2-CD2 3.99Å; Y181-F189 HydrophobicContact CE2-CD2 3.99Å; Y181-F189 HydrophobicContact CG-CD2 4.34Å; Y181-F189 AromaticContact CZ-CD2 3.64Å
182	Y	67.9	Low	88.3	Confident	201 Å²	201	62.2 Å²	62.2	79%	0.788	32%	0.321	S	S	*	.			trans	-86.6	116.7	173.1	-61.3	-79.7	0	0	0	110.7	D180	D180-Y182 VanDerWaalsContact C-N 3.33Å; D180-Y182 HydrophobicContact CB-CE2 4.29Å; D180-Y182 WeakPolarHBondContact O-CD2 3.39Å; D180-Y182 PolarHBondContact O-N 3.06Å
183	T	66	Low	88.3	Confident	53 Å²	53	65.5 Å²	65.5	33%	0.325	34%	0.343	S	S	.	.			trans	-143.1	143.1	169.3	178.9	0	0	0	0	110	Y181 N185	Y181-T183 HydrophobicContact CD1-CG2 4.02Å; Y181-T183 HydrophobicContact CE1-CG2 3.27Å; T183-N185 WeakPolarHBondContact CG2-O 3.41Å; T183-N185 PolarHBondContact O-N 3.37Å; T183-N185 PolarHBondContact OG1-N 2.98Å; T183-N185 PolarHBondContact OG1-O 2.8Å
184	N	69.2	Low	88.3	Confident	185 Å²	185	71.5 Å²	71.5	99%	0.989	37%	0.371	S	S	*	.	S	Bend	trans	-73.5	-4.1	170.1	-65.9	-13.8	0	0	0	112.2
185	N	80.4	Confident	88.4	Confident	88 Å²	88	72.9 Å²	72.9	47%	0.471	38%	0.379	S	S	.	.			trans	-136.3	88.3	179.7	-177.9	5.5	0	0	0	111.1	T183 A187 A188	T183-N185 WeakPolarHBondContact CG2-O 3.41Å; T183-N185 PolarHBondContact O-N 3.37Å; T183-N185 PolarHBondContact OG1-N 2.98Å; T183-N185 PolarHBondContact OG1-O 2.8Å; N185-A187 PolarHBondContact O-N 3.18Å; N185-A187 WeakPolarHBondContact OD1-CB 3.18Å; N185-A187 PolarHBondContact OD1-N 3.24Å; N185-A187 VanDerWaalsContact OD1-N 3.13Å; N185-A188 HydrophobicContact CB-CB 4.4Å; N185-A188 WeakPolarHBondContact O-CB 3.37Å; N185-A188 PolarHBondContact O-N 3.09Å; N185-A188 VanDerWaalsContact O-N 3.07Å
186	S	80.1	Confident	88.5	Confident	54 Å²	54	73.2 Å²	73.2	38%	0.378	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24.2	176.6	-51.9	0	0	0	0	113.6	A188 F189	S186-A188 PolarHBondContact O-N 3.33Å; S186-F189 PolarHBondContact O-N 3.42Å
187	A	86	Confident	88.6	Confident	36 Å²	36	79.1 Å²	79.1	30%	0.298	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-73.2	-10.4	177	0	0	0	0	0	113.3	N185 R190 A244	N185-A187 PolarHBondContact O-N 3.18Å; N185-A187 WeakPolarHBondContact OD1-CB 3.18Å; N185-A187 PolarHBondContact OD1-N 3.24Å; N185-A187 VanDerWaalsContact OD1-N 3.13Å; A187-R190 PolarHBondContact O-NH1 3.4Å; A187-A244 HydrophobicContact CB-CB 3.74Å
188	A	90.1	Very high	88.7	Confident	53 Å²	53	82.5 Å²	82.5	44%	0.438	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-82.2	-14	173.7	0	0	0	0	0	113.8	N185 S186	N185-A188 HydrophobicContact CB-CB 4.4Å; N185-A188 WeakPolarHBondContact O-CB 3.37Å; N185-A188 PolarHBondContact O-N 3.09Å; N185-A188 VanDerWaalsContact O-N 3.07Å; S186-A188 PolarHBondContact O-N 3.33Å
189	F	94.5	Very high	89	Confident	20 Å²	20	78.9 Å²	78.9	9%	0.088	40%	0.397	C	S	.	.			trans	-64.1	141.3	177.2	-178	-93.8	0	0	0	111.3	T173 V174 Y181 S186 L191	T173-F189 VanDerWaalsContact O-CE1 3.24Å; T173-F189 WeakPolarHBondContact O-CE1 3.48Å; V174-F189 VanDerWaalsContact CA-CD1 3.46Å; V174-F189 HydrophobicContact CB-CB 3.9Å; V174-F189 HydrophobicContact CB-CD1 4.09Å; V174-F189 HydrophobicContact CB-CG 4.06Å; V174-F189 HydrophobicContact CG2-CB 4.04Å; V174-F189 HydrophobicContact CG2-CG 4.23Å; Y181-F189 AromaticContact CD1-CD2 4Å; Y181-F189 HydrophobicContact CD1-CD2 4Å; Y181-F189 HydrophobicContact CD2-CD2 4.32Å; Y181-F189 HydrophobicContact CE1-CB 3.83Å; Y181-F189 AromaticContact CE1-CD2 3.63Å; Y181-F189 HydrophobicContact CE1-CD2 3.63Å; Y181-F189 HydrophobicContact CE1-CG 4.14Å; Y181-F189 AromaticContact CE2-CD2 3.99Å; Y181-F189 HydrophobicContact CE2-CD2 3.99Å; Y181-F189 HydrophobicContact CG-CD2 4.34Å; Y181-F189 AromaticContact CZ-CD2 3.64Å; S186-F189 PolarHBondContact O-N 3.42Å; F189-L191 HydrophobicContact CE1-CB 4.37Å; F189-L191 HydrophobicContact CE1-CD1 4.27Å
190	R	95.5	Very high	89.5	Confident	97 Å²	97	76.7 Å²	76.7	37%	0.366	39%	0.39	S	S	.	.			trans	-130.5	141.2	173	-62.6	-66.9	176.8	-93.2	7.4	108.8	A187 G243 E245	A187-R190 PolarHBondContact O-NH1 3.4Å; R190-G243 PolarHBondContact NH2-O 2.96Å; R190-E245 WeakPolarHBondContact CA-OE2 3.23Å; R190-E245 WeakPolarHBondContact CD-OE1 3.38Å
191	L	97.1	Very high	90.1	Very high	11 Å²	11	76.5 Å²	76.5	6%	0.058	39%	0.385	C	S	.	.			trans	-85.3	112.9	-174.5	-173.1	63	0	0	0	111	T173 F176 F189 T195 L196 P238 E245	T173-L191 HydrophobicContact CG2-CB 4.12Å; T173-L191 HydrophobicContact CG2-CD2 4.21Å; F176-L191 HydrophobicContact CB-CD1 3.81Å; F176-L191 HydrophobicContact CD2-CD1 4.16Å; F176-L191 HydrophobicContact CD2-CD2 4.18Å; F176-L191 HydrophobicContact CG-CD1 4.44Å; F189-L191 HydrophobicContact CE1-CB 4.37Å; F189-L191 HydrophobicContact CE1-CD1 4.27Å; L191-T195 HydrophobicContact CD1-CG2 3.67Å; L191-L196 HydrophobicContact CD2-CB 3.95Å; L191-L196 HydrophobicContact CD2-CD1 4.03Å; L191-L196 HydrophobicContact CD2-CG 4.47Å; L191-L196 HydrophobicContact CG-CB 4.3Å; L191-P238 HydrophobicContact CB-CG 4.46Å; L191-E245 WeakPolarHBondContact CB-OE2 3.19Å; L191-E245 PolarHBondContact N-OE2 2.99Å
192	E	97.3	Very high	90.8	Very high	115 Å²	115	72.8 Å²	72.8	54%	0.537	37%	0.371	S	S	.	.			trans	-66.1	139.3	174.3	-59.4	-57.7	153.5	0	0	111.3	E194 T195 L196	E192-E194 PolarHBondContact O-N 3.13Å; E192-E194 VanDerWaalsContact O-N 3.17Å; E192-T195 WeakPolarHBondContact O-CA 3.5Å; E192-T195 WeakPolarHBondContact O-CB 3.32Å; E192-T195 PolarHBondContact O-N 3.06Å; E192-L196 PolarHBondContact O-N 3.24Å; E192-L196 VanDerWaalsContact O-N 3.11Å
193	P	98	Very high	92.3	Very high	84 Å²	84	63.2 Å²	63.2	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-55.1	-34.8	-177.3	-27.7	35.8	0	0	0	114.4	T195 L196 Q197	P193-T195 VanDerWaalsContact C-N 3.3Å; P193-T195 PolarHBondContact O-N 3.04Å; P193-L196 PolarHBondContact O-N 3.34Å; P193-Q197 WeakPolarHBondContact O-CB 3.17Å; P193-Q197 PolarHBondContact O-N 2.88Å
194	E	97.9	Very high	93.8	Very high	128 Å²	128	62.4 Å²	62.4	60%	0.598	34%	0.336	S	S	*	.	H	α-helix	trans	-64.7	-36.8	176.6	-63.2	71	-158	0	0	111.2	E192 Q197 R198	E192-E194 PolarHBondContact O-N 3.13Å; E192-E194 VanDerWaalsContact O-N 3.17Å; E194-Q197 PolarHBondContact O-N 3.2Å; E194-R198 VanDerWaalsContact O-CB 3.29Å; E194-R198 WeakPolarHBondContact O-CB 3.21Å; E194-R198 PolarHBondContact O-N 3.32Å
195	T	98	Very high	95.2	Very high	42 Å²	42	56.2 Å²	56.2	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-69.7	-40.7	175.2	-53.7	0	0	0	0	110.4	F176 L191 E192 P193 R198 V199 V272	F176-T195 HydrophobicContact CB-CG2 4.17Å; L191-T195 HydrophobicContact CD1-CG2 3.67Å; E192-T195 WeakPolarHBondContact O-CA 3.5Å; E192-T195 WeakPolarHBondContact O-CB 3.32Å; E192-T195 PolarHBondContact O-N 3.06Å; P193-T195 VanDerWaalsContact C-N 3.3Å; P193-T195 PolarHBondContact O-N 3.04Å; T195-R198 WeakPolarHBondContact O-CB 3.32Å; T195-R198 PolarHBondContact O-N 3.44Å; T195-V199 WeakPolarHBondContact O-CB 3.49Å; T195-V199 VanDerWaalsContact O-CG2 3.25Å; T195-V199 WeakPolarHBondContact O-CG2 3.48Å; T195-V199 PolarHBondContact O-N 2.92Å; T195-V272 HydrophobicContact CG2-CG1 4Å
196	L	98.5	Very high	96	Very high	7 Å²	7	52 Å²	52	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-41.7	173.9	179.5	61.3	0	0	0	112.1	L191 E192 P193 R198 V199 N200 C235 E237	L191-L196 HydrophobicContact CD2-CB 3.95Å; L191-L196 HydrophobicContact CD2-CD1 4.03Å; L191-L196 HydrophobicContact CD2-CG 4.47Å; L191-L196 HydrophobicContact CG-CB 4.3Å; E192-L196 PolarHBondContact O-N 3.24Å; E192-L196 VanDerWaalsContact O-N 3.11Å; P193-L196 PolarHBondContact O-N 3.34Å; L196-R198 VanDerWaalsContact C-N 3.31Å; L196-R198 PolarHBondContact O-N 3.44Å; L196-V199 PolarHBondContact O-N 3.17Å; L196-N200 WeakPolarHBondContact O-CB 3.48Å; L196-N200 PolarHBondContact O-N 3.11Å; L196-N200 PolarHBondContact O-ND2 3.37Å; L196-C235 HydrophobicContact CD1-CB 3.82Å; L196-E237 WeakPolarHBondContact CD2-OE2 3.37Å
197	Q	98.4	Very high	96.9	Very high	125 Å²	125	55.5 Å²	55.5	58%	0.584	29%	0.293	S	S	*	.	H	α-helix	trans	-59.8	-44.4	174.6	-170.9	-173.9	38	0	0	110.8	P193 E194 N200 Q201	P193-Q197 WeakPolarHBondContact O-CB 3.17Å; P193-Q197 PolarHBondContact O-N 2.88Å; E194-Q197 PolarHBondContact O-N 3.2Å; Q197-N200 PolarHBondContact O-N 3.34Å; Q197-Q201 WeakPolarHBondContact O-CG 3.33Å; Q197-Q201 PolarHBondContact O-N 2.86Å
198	R	97.8	Very high	97.5	Very high	75 Å²	75	54.8 Å²	54.8	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-44.5	177.2	175.1	57.4	179	162	4.9	112.8	E194 T195 L196 N200 Q201 L202 D278	E194-R198 VanDerWaalsContact O-CB 3.29Å; E194-R198 WeakPolarHBondContact O-CB 3.21Å; E194-R198 PolarHBondContact O-N 3.32Å; T195-R198 WeakPolarHBondContact O-CB 3.32Å; T195-R198 PolarHBondContact O-N 3.44Å; L196-R198 VanDerWaalsContact C-N 3.31Å; L196-R198 PolarHBondContact O-N 3.44Å; R198-N200 VanDerWaalsContact C-N 3.3Å; R198-N200 PolarHBondContact O-N 3.11Å; R198-Q201 PolarHBondContact O-N 3.45Å; R198-L202 PolarHBondContact O-N 3.43Å; R198-D278 IonicContact CZ-OD1 2.69Å; R198-D278 IonicContact CZ-OD2 3.64Å; R198-D278 VanDerWaalsContact CZ-OD2 3.28Å; R198-D278 IonicContact NH1-OD1 3.66Å; R198-D278 IonicContact NH1-OD2 3.81Å; R198-D278 PolarHBondContact NH1-OD2 3.11Å; R198-D278 IonicContact NH2-OD1 2.62Å; R198-D278 PolarHBondContact NH2-OD1 3.45Å; R198-D278 IonicContact NH2-OD2 2.67Å; R198-D278 PolarHBondContact NH2-OD2 3.04Å
199	V	98.5	Very high	97.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.3	-45.2	172.2	166.5	0	0	0	0	110.6	F176 T195 L196 L202 F203 C235 V272	F176-V199 HydrophobicContact CB-CG2 4.35Å; F176-V199 HydrophobicContact CD1-CG2 3.61Å; F176-V199 HydrophobicContact CD2-CG2 4.17Å; F176-V199 HydrophobicContact CE1-CG1 4.01Å; F176-V199 HydrophobicContact CE1-CG2 3.85Å; F176-V199 HydrophobicContact CE2-CG1 4.27Å; F176-V199 HydrophobicContact CE2-CG2 4.37Å; F176-V199 HydrophobicContact CG-CG2 3.78Å; F176-V199 HydrophobicContact CZ-CG1 3.82Å; F176-V199 HydrophobicContact CZ-CG2 4.22Å; T195-V199 WeakPolarHBondContact O-CB 3.49Å; T195-V199 VanDerWaalsContact O-CG2 3.25Å; T195-V199 WeakPolarHBondContact O-CG2 3.48Å; T195-V199 PolarHBondContact O-N 2.92Å; L196-V199 PolarHBondContact O-N 3.17Å; V199-L202 PolarHBondContact O-N 2.83Å; V199-F203 HydrophobicContact CG1-CD2 3.58Å; V199-F203 HydrophobicContact CG1-CE2 3.31Å; V199-F203 HydrophobicContact CG1-CZ 4.3Å; V199-F203 WeakPolarHBondContact O-CD2 3.28Å; V199-F203 PolarHBondContact O-N 3.2Å; V199-C235 HydrophobicContact CG1-CB 3.84Å; V199-V272 HydrophobicContact CG2-CG1 4.1Å; V199-V272 HydrophobicContact CG2-CG2 3.86Å
200	N	98.7	Very high	98.1	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-34.1	178.7	-87.4	-55.3	0	0	0	113.9	L196 Q197 R198 G204 S234 C235	L196-N200 WeakPolarHBondContact O-CB 3.48Å; L196-N200 PolarHBondContact O-N 3.11Å; L196-N200 PolarHBondContact O-ND2 3.37Å; Q197-N200 PolarHBondContact O-N 3.34Å; R198-N200 VanDerWaalsContact C-N 3.3Å; R198-N200 PolarHBondContact O-N 3.11Å; N200-G204 PolarHBondContact O-N 3.4Å; N200-S234 VanDerWaalsContact OD1-CA 3.28Å; N200-S234 WeakPolarHBondContact OD1-CA 3.43Å; N200-S234 WeakPolarHBondContact OD1-CB 3.37Å; N200-C235 PolarHBondContact ND2-O 2.94Å; N200-C235 PolarHBondContact OD1-N 3.43Å; N200-C235 PolarHBondContact OD1-O 2.77Å
201	Q	98.4	Very high	98.2	Very high	102 Å²	102	53.4 Å²	53.4	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-42.4	171.9	-70.8	168.9	3.8	0	0	112	Q197 R198 S205	Q197-Q201 WeakPolarHBondContact O-CG 3.33Å; Q197-Q201 PolarHBondContact O-N 2.86Å; R198-Q201 PolarHBondContact O-N 3.45Å; Q201-S205 PolarHBondContact O-N 3.46Å; Q201-S205 PolarHBondContact O-OG 3.31Å
202	L	98.5	Very high	98.3	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-45.4	177.8	-68.7	168.4	0	0	0	111.5	R198 V199 G204 S205 V268 V271 V272 L281	R198-L202 PolarHBondContact O-N 3.43Å; V199-L202 PolarHBondContact O-N 2.83Å; L202-G204 PolarHBondContact O-N 3.21Å; L202-S205 VanDerWaalsContact O-CB 3.31Å; L202-S205 WeakPolarHBondContact O-CB 3.43Å; L202-S205 PolarHBondContact O-N 2.89Å; L202-V268 HydrophobicContact CB-CG1 3.9Å; L202-V268 HydrophobicContact CB-CG2 4.06Å; L202-V268 HydrophobicContact CD1-CG1 4.15Å; L202-V271 HydrophobicContact CD1-CB 4.39Å; L202-V271 HydrophobicContact CD1-CG1 3.87Å; L202-V271 HydrophobicContact CD2-CG1 4.26Å; L202-V272 HydrophobicContact CD1-CG2 3.52Å; L202-L281 HydrophobicContact CD2-CD2 4.26Å
203	F	98.6	Very high	98.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-39.2	174.5	-74.1	-42.1	0	0	0	113.2	F176 V199 S205 Y206 M233 C235 I249 I265 V268	F176-F203 HydrophobicContact CZ-CE2 4.48Å; V199-F203 HydrophobicContact CG1-CD2 3.58Å; V199-F203 HydrophobicContact CG1-CE2 3.31Å; V199-F203 HydrophobicContact CG1-CZ 4.3Å; V199-F203 WeakPolarHBondContact O-CD2 3.28Å; V199-F203 PolarHBondContact O-N 3.2Å; F203-S205 PolarHBondContact O-N 3.14Å; F203-S205 VanDerWaalsContact O-N 3.15Å; F203-Y206 HydrophobicContact CD1-CD2 4.22Å; F203-Y206 HydrophobicContact CD1-CE2 4.14Å; F203-Y206 WeakPolarHBondContact O-CB 3.41Å; F203-Y206 PolarHBondContact O-N 2.98Å; F203-M233 HydrophobicContact CB-CB 4.23Å; F203-M233 HydrophobicContact CB-CG 3.93Å; F203-M233 HydrophobicContact CB-SD 4.47Å; F203-M233 HydrophobicContact CD1-CE 3.49Å; F203-M233 VanDerWaalsContact CD1-CE 3.49Å; F203-M233 HydrophobicContact CD1-CG 4.01Å; F203-M233 HydrophobicContact CD1-SD 3.65Å; F203-M233 HydrophobicContact CE1-CE 3.51Å; F203-M233 HydrophobicContact CE1-SD 4.28Å; F203-M233 HydrophobicContact CG-CE 4.32Å; F203-M233 HydrophobicContact CG-CG 4.05Å; F203-M233 HydrophobicContact CG-SD 4.3Å; F203-M233 HydrophobicContact CZ-CE 4.32Å; F203-C235 HydrophobicContact CD2-CB 4.23Å; F203-C235 HydrophobicContact CE2-CB 4.15Å; F203-I249 HydrophobicContact CD2-CG2 4.3Å; F203-I249 HydrophobicContact CE1-CG2 4.49Å; F203-I249 HydrophobicContact CE2-CD1 3.9Å; F203-I249 HydrophobicContact CE2-CG1 3.89Å; F203-I249 HydrophobicContact CE2-CG2 3.92Å; F203-I249 HydrophobicContact CZ-CD1 3.64Å; F203-I249 HydrophobicContact CZ-CG1 4.15Å; F203-I249 HydrophobicContact CZ-CG2 4.05Å; F203-I265 HydrophobicContact CE1-CG1 4.34Å; F203-V268 HydrophobicContact CD1-CB 4.2Å; F203-V268 HydrophobicContact CD1-CG1 4.19Å; F203-V268 HydrophobicContact CD1-CG2 3.76Å; F203-V268 HydrophobicContact CE1-CB 3.61Å; F203-V268 HydrophobicContact CE1-CG1 3.75Å; F203-V268 HydrophobicContact CE1-CG2 3.62Å; F203-V268 HydrophobicContact CE2-CG1 4.24Å; F203-V268 HydrophobicContact CZ-CB 4.01Å; F203-V268 HydrophobicContact CZ-CG1 3.76Å; F203-V268 HydrophobicContact CZ-CG2 4.46Å
204	G	98.2	Very high	98.3	Very high	37 Å²	37	43.6 Å²	43.6	38%	0.381	23%	0.231	S	C	.	.	H	α-helix	trans	-58.2	-27	175.2	0	0	0	0	0	113.5	N200 L202 Y206 K207	N200-G204 PolarHBondContact O-N 3.4Å; L202-G204 PolarHBondContact O-N 3.21Å; G204-Y206 VanDerWaalsContact C-N 3.28Å; G204-Y206 PolarHBondContact O-N 3.12Å; G204-K207 VanDerWaalsContact O-CB 3.23Å; G204-K207 WeakPolarHBondContact O-CB 3.3Å; G204-K207 PolarHBondContact O-N 2.88Å
205	S	98.3	Very high	98.3	Very high	54 Å²	54	37.5 Å²	37.5	38%	0.378	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.7	178.1	-59.9	0	0	0	0	113.7	Q201 L202 F203 K207 H210	Q201-S205 PolarHBondContact O-N 3.46Å; Q201-S205 PolarHBondContact O-OG 3.31Å; L202-S205 VanDerWaalsContact O-CB 3.31Å; L202-S205 WeakPolarHBondContact O-CB 3.43Å; L202-S205 PolarHBondContact O-N 2.89Å; F203-S205 PolarHBondContact O-N 3.14Å; F203-S205 VanDerWaalsContact O-N 3.15Å; S205-K207 VanDerWaalsContact C-N 3.26Å; S205-K207 PolarHBondContact O-N 3.4Å; S205-H210 PolarHBondContact O-NE2 3.38Å
206	Y	98.6	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.8	173	-71.8	-58.7	0	0	0	114	F203 G204 H210 F212 F215 I230 M233 M264 V268 L281 W285	F203-Y206 HydrophobicContact CD1-CD2 4.22Å; F203-Y206 HydrophobicContact CD1-CE2 4.14Å; F203-Y206 WeakPolarHBondContact O-CB 3.41Å; F203-Y206 PolarHBondContact O-N 2.98Å; G204-Y206 VanDerWaalsContact C-N 3.28Å; G204-Y206 PolarHBondContact O-N 3.12Å; Y206-H210 PolarHBondContact O-CD2 2.84Å; Y206-H210 VanDerWaalsContact O-CD2 3.26Å; Y206-F212 AromaticContact CD1-CE1 3.89Å; Y206-F212 HydrophobicContact CD1-CE1 3.89Å; Y206-F212 HydrophobicContact CD1-CZ 4.26Å; Y206-F212 HydrophobicContact CE1-CE1 4.31Å; Y206-F215 AromaticContact CE1-CE1 3.84Å; Y206-F215 HydrophobicContact CE1-CE1 3.84Å; Y206-F215 AromaticContact CE1-CZ 3.74Å; Y206-F215 HydrophobicContact CE1-CZ 3.74Å; Y206-F215 WeakPolarHBondContact OH-CE1 3.45Å; Y206-I230 WeakPolarHBondContact O-CB 3.4Å; Y206-M233 HydrophobicContact CD2-SD 3.7Å; Y206-M233 HydrophobicContact CE2-SD 4.31Å; Y206-M233 HydrophobicContact CG-SD 4.5Å; Y206-M264 HydrophobicContact CD1-CE 3.94Å; Y206-M264 HydrophobicContact CD1-CG 4.34Å; Y206-M264 HydrophobicContact CD2-CB 4.46Å; Y206-M264 HydrophobicContact CD2-CE 3.79Å; Y206-M264 HydrophobicContact CE1-CB 4.33Å; Y206-M264 HydrophobicContact CE1-CE 4.44Å; Y206-M264 HydrophobicContact CE1-CG 3.96Å; Y206-M264 HydrophobicContact CE2-CB 3.87Å; Y206-M264 HydrophobicContact CE2-CE 4.31Å; Y206-M264 HydrophobicContact CE2-CG 4.32Å; Y206-M264 WeakPolarHBondContact CE2-O 3.36Å; Y206-M264 HydrophobicContact CG-CE 3.58Å; Y206-M264 WeakPolarHBondContact OH-CA 3.46Å; Y206-M264 PolarHBondContact OH-O 3.15Å; Y206-V268 HydrophobicContact CE2-CG2 3.7Å; Y206-L281 HydrophobicContact CD1-CD1 4.29Å; Y206-L281 HydrophobicContact CE1-CD1 3.5Å; Y206-L281 VanDerWaalsContact CE1-CD1 3.5Å; Y206-L281 HydrophobicContact CE2-CD1 4.48Å; Y206-W285 HydrophobicContact CD1-CZ2 4.32Å
207	K	98.5	Very high	97.9	Very high	128 Å²	128	36.9 Å²	36.9	56%	0.557	20%	0.199	S	C	*	.			trans	-61.3	140.3	-178.8	-175.3	170.3	-178.9	171.2	0	111.3	G204 S205 H210 T231	G204-K207 VanDerWaalsContact O-CB 3.23Å; G204-K207 WeakPolarHBondContact O-CB 3.3Å; G204-K207 PolarHBondContact O-N 2.88Å; S205-K207 VanDerWaalsContact C-N 3.26Å; S205-K207 PolarHBondContact O-N 3.4Å; K207-H210 PolarHBondContact O-NE2 3.48Å; K207-T231 VanDerWaalsContact CE-O 3.29Å; K207-T231 WeakPolarHBondContact CE-O 3.46Å
208	G	98.4	Very high	97.5	Very high	20 Å²	20	39.6 Å²	39.6	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102	-162.6	-178.6	0	0	0	0	0	113.4	Y229 I230	G208-Y229 WeakPolarHBondContact O-CA 3.37Å; G208-I230 PolarHBondContact N-O 2.81Å; G208-I230 PolarHBondContact O-N 2.85Å
209	T	98.4	Very high	97.2	Very high	74 Å²	74	38.8 Å²	38.8	45%	0.454	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	105.6	-179.4	-55.8	0	0	0	0	110.6	R228 Y229	T209-R228 WeakPolarHBondContact CA-O 3.48Å; T209-Y229 WeakPolarHBondContact OG1-CD2 3.38Å
210	H	98.3	Very high	96.9	Very high	41 Å²	41	41.8 Å²	41.8	19%	0.19	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	169.5	177.2	-57.6	-67.2	0	0	0	111.9	S205 Y206 K207 F212 R227 R228 W285	S205-H210 PolarHBondContact O-NE2 3.38Å; Y206-H210 PolarHBondContact O-CD2 2.84Å; Y206-H210 VanDerWaalsContact O-CD2 3.26Å; K207-H210 PolarHBondContact O-NE2 3.48Å; H210-F212 HydrophobicContact CB-CD2 4.12Å; H210-F212 HydrophobicContact CB-CE2 3.65Å; H210-F212 HydrophobicContact CB-CZ 4.13Å; H210-F212 WeakPolarHBondContact O-CD2 3.49Å; H210-R227 WeakPolarHBondContact O-CA 3.39Å; H210-R228 PolarHBondContact N-O 3.26Å; H210-R228 VanDerWaalsContact N-O 3.15Å; H210-R228 PolarHBondContact O-N 3.08Å; H210-W285 HydrophobicContact CB-CG 4.2Å
211	N	97.9	Very high	96.6	Very high	26 Å²	26	40.4 Å²	40.4	14%	0.139	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.9	171.5	-169.7	1.2	0	0	0	109.4	A221 A226	N211-A221 PolarHBondContact ND2-O 2.87Å; N211-A226 WeakPolarHBondContact OD1-CB 3.48Å
212	F	98.3	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.			trans	-101	24.7	-173.1	-76	-91.1	0	0	0	113	Y206 H210 N214 F215 A226 R228 I230 M257 Q260 M264	Y206-F212 AromaticContact CD1-CE1 3.89Å; Y206-F212 HydrophobicContact CD1-CE1 3.89Å; Y206-F212 HydrophobicContact CD1-CZ 4.26Å; Y206-F212 HydrophobicContact CE1-CE1 4.31Å; H210-F212 HydrophobicContact CB-CD2 4.12Å; H210-F212 HydrophobicContact CB-CE2 3.65Å; H210-F212 HydrophobicContact CB-CZ 4.13Å; H210-F212 WeakPolarHBondContact O-CD2 3.49Å; F212-N214 VanDerWaalsContact C-N 3.27Å; F212-N214 PolarHBondContact O-N 2.92Å; F212-F215 HydrophobicContact CB-CB 4.27Å; F212-F215 HydrophobicContact CB-CD2 4.23Å; F212-F215 HydrophobicContact CD1-CB 4.08Å; F212-F215 AromaticContact CD1-CD2 3.63Å; F212-F215 HydrophobicContact CD1-CD2 3.63Å; F212-F215 HydrophobicContact CD1-CE2 4.21Å; F212-F215 AromaticContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CE1-CD2 4.48Å; F212-F215 HydrophobicContact CG-CD2 4.3Å; F212-F215 WeakPolarHBondContact O-CB 3.36Å; F212-F215 PolarHBondContact O-N 3.09Å; F212-A226 PolarHBondContact N-O 3.16Å; F212-R228 HydrophobicContact CD2-CB 3.64Å; F212-R228 HydrophobicContact CD2-CG 4.43Å; F212-R228 HydrophobicContact CE2-CB 4.03Å; F212-R228 HydrophobicContact CG-CB 4.4Å; F212-I230 HydrophobicContact CE2-CG1 4.19Å; F212-I230 HydrophobicContact CZ-CD1 4.39Å; F212-I230 HydrophobicContact CZ-CG1 3.69Å; F212-M257 HydrophobicContact CB-CE 3.52Å; F212-M257 WeakPolarHBondContact O-CE 3.37Å; F212-Q260 HydrophobicContact CB-CG 4.43Å; F212-Q260 HydrophobicContact CD1-CG 4.11Å; F212-Q260 VanDerWaalsContact CD1-NE2 3.35Å; F212-Q260 HydrophobicContact CG-CG 4.47Å; F212-M264 HydrophobicContact CD1-CG 4.27Å; F212-M264 HydrophobicContact CD1-SD 4.13Å; F212-M264 HydrophobicContact CE1-CE 3.94Å; F212-M264 HydrophobicContact CE1-CG 3.93Å; F212-M264 HydrophobicContact CE1-SD 3.62Å; F212-M264 HydrophobicContact CZ-CE 4.35Å; F212-M264 HydrophobicContact CZ-SD 4.42Å
213	H	97.9	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.3	-174.8	77.6	81.9	0	0	0	114.9	F215 K219 A226 E288 K289	H213-F215 VanDerWaalsContact C-N 3.34Å; H213-K219 HydrophobicContact CB-CB 4.14Å; H213-A226 HydrophobicContact CB-CB 3.86Å; H213-E288 VanDerWaalsContact NE2-C 3.31Å; H213-E288 PolarHBondContact NE2-O 2.92Å; H213-K289 PolarHBondContact CE1-NZ 3.19Å; H213-K289 PolarHBondContact ND1-NZ 3.02Å; H213-K289 WeakPolarHBondContact NE2-CD 3.46Å
214	N	97.8	Very high	96	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.027	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.9	173.6	-74.6	-35.9	0	0	0	112.4	F212 T216 S284 E288 K289 V290 V292	F212-N214 VanDerWaalsContact C-N 3.27Å; F212-N214 PolarHBondContact O-N 2.92Å; N214-T216 VanDerWaalsContact C-N 3.3Å; N214-T216 PolarHBondContact O-N 2.82Å; N214-S284 PolarHBondContact ND2-O 2.9Å; N214-E288 PolarHBondContact ND2-O 3.29Å; N214-K289 WeakPolarHBondContact OD1-CD 3.41Å; N214-V290 PolarHBondContact OD1-N 2.96Å; N214-V292 HydrophobicContact CB-CG2 4.09Å
215	F	98.1	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-90.3	11.4	-179.5	-60.2	-91.4	0	0	0	112.7	Y206 F212 H213 Q260 K263 M264 L267 S284 V292	Y206-F215 AromaticContact CE1-CE1 3.84Å; Y206-F215 HydrophobicContact CE1-CE1 3.84Å; Y206-F215 AromaticContact CE1-CZ 3.74Å; Y206-F215 HydrophobicContact CE1-CZ 3.74Å; Y206-F215 WeakPolarHBondContact OH-CE1 3.45Å; F212-F215 HydrophobicContact CB-CB 4.27Å; F212-F215 HydrophobicContact CB-CD2 4.23Å; F212-F215 HydrophobicContact CD1-CB 4.08Å; F212-F215 AromaticContact CD1-CD2 3.63Å; F212-F215 HydrophobicContact CD1-CD2 3.63Å; F212-F215 HydrophobicContact CD1-CE2 4.21Å; F212-F215 AromaticContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CE1-CD2 4.48Å; F212-F215 HydrophobicContact CG-CD2 4.3Å; F212-F215 WeakPolarHBondContact O-CB 3.36Å; F212-F215 PolarHBondContact O-N 3.09Å; H213-F215 VanDerWaalsContact C-N 3.34Å; F215-Q260 HydrophobicContact CB-CG 4.06Å; F215-Q260 WeakPolarHBondContact O-CA 3.36Å; F215-Q260 PolarHBondContact O-N 2.93Å; F215-K263 HydrophobicContact CB-CB 4.15Å; F215-K263 HydrophobicContact CD1-CB 4Å; F215-M264 HydrophobicContact CD1-CB 4.34Å; F215-M264 HydrophobicContact CD1-CG 3.68Å; F215-M264 HydrophobicContact CE1-CG 4.08Å; F215-M264 HydrophobicContact CG-CG 4.29Å; F215-L267 HydrophobicContact CE1-CB 4.34Å; F215-L267 HydrophobicContact CE1-CD2 3.77Å; F215-L267 HydrophobicContact CZ-CD2 3.66Å; F215-S284 VanDerWaalsContact CE2-OG 3.28Å; F215-S284 WeakPolarHBondContact CE2-OG 3.4Å; F215-S284 VanDerWaalsContact CZ-OG 3.23Å; F215-S284 WeakPolarHBondContact CZ-OG 3.31Å; F215-V292 HydrophobicContact CD1-CG1 4.09Å; F215-V292 HydrophobicContact CE1-CG1 4.08Å
216	T	96.5	Very high	95.7	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.086	27%	0.265	C	S	.	.	S	Bend	trans	-149.2	156.2	177.8	-177.3	0	0	0	0	109.6	N214 K219 M257 M258	N214-T216 VanDerWaalsContact C-N 3.3Å; N214-T216 PolarHBondContact O-N 2.82Å; T216-K219 HydrophobicContact CG2-CB 3.7Å; T216-K219 HydrophobicContact CG2-CG 3.39Å; T216-M257 HydrophobicContact CG2-CB 4.28Å; T216-M257 HydrophobicContact CG2-CE 3.57Å; T216-M257 HydrophobicContact CG2-SD 3.81Å; T216-M258 WeakPolarHBondContact CB-O 3.42Å; T216-M258 PolarHBondContact OG1-O 3.42Å; T216-M258 VanDerWaalsContact OG1-O 3.11Å
217	S	91.4	Very high	95.7	Very high	21 Å²	21	56.4 Å²	56.4	15%	0.147	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	157.4	170.9	-48	0	0	0	0	110.7	K219 D381	S217-K219 VanDerWaalsContact C-N 3.28Å; S217-K219 PolarHBondContact O-N 3.34Å; S217-K219 VanDerWaalsContact O-N 3.09Å; S217-D381 WeakPolarHBondContact CB-OD2 3.39Å; S217-D381 PolarHBondContact OG-OD2 2.61Å
218	Q	89.9	Confident	95.7	Very high	182 Å²	182	52.4 Å²	52.4	85%	0.85	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	26.3	168.5	-52.7	-178.6	4.7	0	0	117.1
219	K	91.7	Very high	95.7	Very high	59 Å²	59	55.1 Å²	55.1	26%	0.257	28%	0.277	S	S	.	.			trans	-111.3	130.9	172.5	-70.3	-53.9	-161.7	177.5	0	113.7	H213 T216 S217 D223 S225 A226 M257 K289	H213-K219 HydrophobicContact CB-CB 4.14Å; T216-K219 HydrophobicContact CG2-CB 3.7Å; T216-K219 HydrophobicContact CG2-CG 3.39Å; S217-K219 VanDerWaalsContact C-N 3.28Å; S217-K219 PolarHBondContact O-N 3.34Å; S217-K219 VanDerWaalsContact O-N 3.09Å; K219-D223 VanDerWaalsContact CD-OD2 3.27Å; K219-D223 WeakPolarHBondContact CD-OD2 3.12Å; K219-D223 WeakPolarHBondContact CE-OD2 3.18Å; K219-D223 IonicContact NZ-OD2 2.67Å; K219-D223 PolarHBondContact NZ-OD2 2.99Å; K219-S225 PolarHBondContact NZ-OG 3.09Å; K219-A226 HydrophobicContact CB-CB 4.48Å; K219-M257 HydrophobicContact CG-SD 4.37Å; K219-K289 PolarHBondContact O-NZ 3.49Å
220	A	92.3	Very high	95.7	Very high	63 Å²	63	51.6 Å²	51.6	52%	0.521	26%	0.255	S	S	.	.			trans	-79	149.5	170.9	0	0	0	0	0	110.9	R222 D223	A220-R222 PolarHBondContact O-N 3.08Å; A220-D223 WeakPolarHBondContact O-CB 3.45Å; A220-D223 PolarHBondContact O-N 2.89Å; A220-D223 VanDerWaalsContact O-N 3.12Å
221	A	93.4	Very high	95.7	Very high	18 Å²	18	51.5 Å²	51.5	15%	0.149	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.8	-178.2	0	0	0	0	0	113.6	N211 E287	N211-A221 PolarHBondContact ND2-O 2.87Å; A221-E287 HydrophobicContact CB-CB 4.21Å; A221-E287 HydrophobicContact CB-CG 4.45Å
222	R	93.4	Very high	95.7	Very high	195 Å²	195	55.4 Å²	55.4	74%	0.736	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	5.6	-179	-62.3	-175.5	-178.4	164.9	7.2	114.5	A220 P224 E287	A220-R222 PolarHBondContact O-N 3.08Å; R222-P224 VanDerWaalsContact O-CD 3.31Å; R222-P224 WeakPolarHBondContact O-CD 3.19Å; R222-E287 WeakPolarHBondContact CG-OE1 3.47Å; R222-E287 IonicContact CZ-OE1 3.5Å; R222-E287 IonicContact CZ-OE2 3.37Å; R222-E287 IonicContact NE-OE1 3.4Å; R222-E287 PolarHBondContact NE-OE1 2.99Å; R222-E287 IonicContact NE-OE2 3.87Å; R222-E287 PolarHBondContact NE-OE2 3.11Å; R222-E287 IonicContact NH2-OE1 2.73Å; R222-E287 PolarHBondContact NH2-OE1 3.39Å; R222-E287 IonicContact NH2-OE2 3.44Å; R222-E287 PolarHBondContact NH2-OE2 3.45Å
223	D	94.4	Very high	95.7	Very high	41 Å²	41	55.8 Å²	55.8	22%	0.219	28%	0.277	C	S	.	.			trans	-70.5	114.7	176.4	-175.4	-19.2	0	0	0	109.9	K219 A220 S225 A226	K219-D223 VanDerWaalsContact CD-OD2 3.27Å; K219-D223 WeakPolarHBondContact CD-OD2 3.12Å; K219-D223 WeakPolarHBondContact CE-OD2 3.18Å; K219-D223 IonicContact NZ-OD2 2.67Å; K219-D223 PolarHBondContact NZ-OD2 2.99Å; A220-D223 WeakPolarHBondContact O-CB 3.45Å; A220-D223 PolarHBondContact O-N 2.89Å; A220-D223 VanDerWaalsContact O-N 3.12Å; D223-S225 PolarHBondContact O-N 3.26Å; D223-S225 VanDerWaalsContact O-N 3.15Å; D223-S225 WeakPolarHBondContact OD1-CA 3.49Å; D223-S225 WeakPolarHBondContact OD1-CB 3.43Å; D223-S225 PolarHBondContact OD1-N 3.15Å; D223-S225 PolarHBondContact OD1-OG 2.8Å; D223-S225 PolarHBondContact OD2-OG 2.72Å; D223-S225 VanDerWaalsContact OD2-OG 3.05Å; D223-A226 HydrophobicContact CB-CB 4.45Å; D223-A226 VanDerWaalsContact O-CB 3.31Å; D223-A226 WeakPolarHBondContact O-CB 3.26Å; D223-A226 PolarHBondContact O-N 3.15Å
224	P	93.9	Very high	95.7	Very high	107 Å²	107	57.8 Å²	57.8	70%	0.695	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.4	-25	179.8	27.3	-35.3	0	0	0	112.1	R222 A226 R227	R222-P224 VanDerWaalsContact O-CD 3.31Å; R222-P224 WeakPolarHBondContact O-CD 3.19Å; P224-A226 PolarHBondContact O-N 2.81Å; P224-R227 PolarHBondContact O-N 3.31Å
225	S	95.3	Very high	95.8	Very high	49 Å²	49	57.8 Å²	57.8	34%	0.343	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-75.6	1.7	174.1	81.1	0	0	0	0	113.8	K219 D223 R228	K219-S225 PolarHBondContact NZ-OG 3.09Å; D223-S225 PolarHBondContact O-N 3.26Å; D223-S225 VanDerWaalsContact O-N 3.15Å; D223-S225 WeakPolarHBondContact OD1-CA 3.49Å; D223-S225 WeakPolarHBondContact OD1-CB 3.43Å; D223-S225 PolarHBondContact OD1-N 3.15Å; D223-S225 PolarHBondContact OD1-OG 2.8Å; D223-S225 PolarHBondContact OD2-OG 2.72Å; D223-S225 VanDerWaalsContact OD2-OG 3.05Å; S225-R228 PolarHBondContact O-NH1 3Å; S225-R228 PolarHBondContact O-NH2 3.12Å
226	A	96.5	Very high	95.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-88.1	-12.6	166.2	0	0	0	0	0	113.6	N211 F212 H213 K219 D223 P224 R228 M257	N211-A226 WeakPolarHBondContact OD1-CB 3.48Å; F212-A226 PolarHBondContact N-O 3.16Å; H213-A226 HydrophobicContact CB-CB 3.86Å; K219-A226 HydrophobicContact CB-CB 4.48Å; D223-A226 HydrophobicContact CB-CB 4.45Å; D223-A226 VanDerWaalsContact O-CB 3.31Å; D223-A226 WeakPolarHBondContact O-CB 3.26Å; D223-A226 PolarHBondContact O-N 3.15Å; P224-A226 PolarHBondContact O-N 2.81Å; A226-R228 PolarHBondContact O-N 3.04Å; A226-M257 HydrophobicContact CB-CE 4.41Å
227	R	97.8	Very high	95.9	Very high	141 Å²	141	65.7 Å²	65.7	53%	0.532	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.6	176.3	-61.4	-175.1	70.8	99.3	3.5	110.9	H210 P224	H210-R227 WeakPolarHBondContact O-CA 3.39Å; P224-R227 PolarHBondContact O-N 3.31Å
228	R	98.3	Very high	96.2	Very high	45 Å²	45	66.6 Å²	66.6	17%	0.17	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.1	178.5	-65.9	-69.5	179.7	-81.7	-8.3	111	T209 H210 F212 S225 A226 S255 M257	T209-R228 WeakPolarHBondContact CA-O 3.48Å; H210-R228 PolarHBondContact N-O 3.26Å; H210-R228 VanDerWaalsContact N-O 3.15Å; H210-R228 PolarHBondContact O-N 3.08Å; F212-R228 HydrophobicContact CD2-CB 3.64Å; F212-R228 HydrophobicContact CD2-CG 4.43Å; F212-R228 HydrophobicContact CE2-CB 4.03Å; F212-R228 HydrophobicContact CG-CB 4.4Å; S225-R228 PolarHBondContact O-NH1 3Å; S225-R228 PolarHBondContact O-NH2 3.12Å; A226-R228 PolarHBondContact O-N 3.04Å; R228-S255 WeakPolarHBondContact CD-O 3.46Å; R228-S255 VanDerWaalsContact CD-OG 3.28Å; R228-S255 WeakPolarHBondContact CD-OG 3.23Å; R228-S255 PolarHBondContact NE-OG 2.86Å; R228-M257 HydrophobicContact CG-CE 4.29Å; R228-M257 HydrophobicContact CG-CG 4.42Å; R228-M257 PolarHBondContact NH2-SD 3.42Å
229	Y	98.4	Very high	96.6	Very high	76 Å²	76	61 Å²	61	30%	0.298	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.6	178.9	-179.5	-100.3	0	0	0	110.7	G208 T209 T231 G253 Q254	G208-Y229 WeakPolarHBondContact O-CA 3.37Å; T209-Y229 WeakPolarHBondContact OG1-CD2 3.38Å; Y229-T231 WeakPolarHBondContact CE1-OG1 3.42Å; Y229-G253 WeakPolarHBondContact O-CA 3.32Å; Y229-Q254 HydrophobicContact CD1-CG 3.9Å; Y229-Q254 PolarHBondContact O-N 2.97Å; Y229-Q254 VanDerWaalsContact O-N 3.12Å
230	I	98.7	Very high	96.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.8	171.1	-53.2	-58.6	0	0	0	107.6	Y206 G208 F212 M233 V251 F256 M264	Y206-I230 WeakPolarHBondContact O-CB 3.4Å; G208-I230 PolarHBondContact N-O 2.81Å; G208-I230 PolarHBondContact O-N 2.85Å; F212-I230 HydrophobicContact CE2-CG1 4.19Å; F212-I230 HydrophobicContact CZ-CD1 4.39Å; F212-I230 HydrophobicContact CZ-CG1 3.69Å; I230-M233 HydrophobicContact CG2-CB 4.34Å; I230-V251 HydrophobicContact CG2-CG2 4.15Å; I230-F256 HydrophobicContact CD1-CD1 4.33Å; I230-F256 HydrophobicContact CD1-CE1 3.63Å; I230-F256 HydrophobicContact CD1-CZ 4.34Å; I230-M264 HydrophobicContact CD1-CE 3.96Å; I230-M264 HydrophobicContact CD1-SD 4.39Å; I230-M264 HydrophobicContact CG1-CE 3.95Å
231	T	98.1	Very high	96.9	Very high	39 Å²	39	62.8 Å²	62.8	24%	0.239	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-42.2	176.5	-52.8	0	0	0	0	110.3	K207 Y229 R252	K207-T231 VanDerWaalsContact CE-O 3.29Å; K207-T231 WeakPolarHBondContact CE-O 3.46Å; Y229-T231 WeakPolarHBondContact CE1-OG1 3.42Å; T231-R252 WeakPolarHBondContact CB-O 3.49Å; T231-R252 PolarHBondContact N-O 2.81Å
232	E	97.5	Very high	96.7	Very high	108 Å²	108	65.2 Å²	65.2	51%	0.505	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	144.5	-171.7	-177.4	162.5	-138	0	0	110.7	V251 R252	E232-V251 WeakPolarHBondContact O-CA 3.34Å; E232-R252 PolarHBondContact N-O 3.07Å; E232-R252 PolarHBondContact O-N 3.44Å
233	M	98.6	Very high	96.5	Very high	9 Å²	9	58.2 Å²	58.2	4%	0.044	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	131.9	168.2	-167.4	170.6	-174	0	0	109.5	F203 Y206 I230 I249 T250 V251 M264 I265	F203-M233 HydrophobicContact CB-CB 4.23Å; F203-M233 HydrophobicContact CB-CG 3.93Å; F203-M233 HydrophobicContact CB-SD 4.47Å; F203-M233 HydrophobicContact CD1-CE 3.49Å; F203-M233 VanDerWaalsContact CD1-CE 3.49Å; F203-M233 HydrophobicContact CD1-CG 4.01Å; F203-M233 HydrophobicContact CD1-SD 3.65Å; F203-M233 HydrophobicContact CE1-CE 3.51Å; F203-M233 HydrophobicContact CE1-SD 4.28Å; F203-M233 HydrophobicContact CG-CE 4.32Å; F203-M233 HydrophobicContact CG-CG 4.05Å; F203-M233 HydrophobicContact CG-SD 4.3Å; F203-M233 HydrophobicContact CZ-CE 4.32Å; Y206-M233 HydrophobicContact CD2-SD 3.7Å; Y206-M233 HydrophobicContact CE2-SD 4.31Å; Y206-M233 HydrophobicContact CG-SD 4.5Å; I230-M233 HydrophobicContact CG2-CB 4.34Å; M233-I249 HydrophobicContact CE-CG2 3.76Å; M233-I249 HydrophobicContact CG-CG2 4.42Å; M233-T250 VanDerWaalsContact CA-O 3.29Å; M233-T250 WeakPolarHBondContact CA-O 3.2Å; M233-V251 HydrophobicContact CB-CB 4.37Å; M233-V251 HydrophobicContact CB-CG2 4.05Å; M233-V251 HydrophobicContact CE-CB 4.3Å; M233-V251 HydrophobicContact CE-CG2 4.5Å; M233-V251 HydrophobicContact CG-CB 3.87Å; M233-V251 HydrophobicContact CG-CG2 3.89Å; M233-V251 HydrophobicContact SD-CB 4.2Å; M233-V251 HydrophobicContact SD-CG2 3.89Å; M233-M264 HydrophobicContact SD-CE 3.6Å; M233-M264 VanDerWaalsContact SD-CE 3.6Å; M233-I265 HydrophobicContact CE-CD1 4.37Å; M233-I265 HydrophobicContact CE-CG1 3.67Å
234	S	98.4	Very high	96.5	Very high	41 Å²	41	56.8 Å²	56.8	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	161.4	-177.7	54.3	0	0	0	0	111.4	N200 I249 T250	N200-S234 VanDerWaalsContact OD1-CA 3.28Å; N200-S234 WeakPolarHBondContact OD1-CA 3.43Å; N200-S234 WeakPolarHBondContact OD1-CB 3.37Å; S234-I249 CarbonylContact O-C 3.55Å; S234-I249 VanDerWaalsContact O-CA 3.29Å; S234-I249 WeakPolarHBondContact O-CA 3.31Å; S234-I249 WeakPolarHBondContact O-CG2 3.39Å; S234-T250 PolarHBondContact N-O 2.95Å; S234-T250 PolarHBondContact O-N 2.85Å
235	C	98.7	Very high	96.7	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	169.7	-169.7	0	0	0	0	108.9	L196 V199 N200 F203 I249	L196-C235 HydrophobicContact CD1-CB 3.82Å; V199-C235 HydrophobicContact CG1-CB 3.84Å; N200-C235 PolarHBondContact ND2-O 2.94Å; N200-C235 PolarHBondContact OD1-N 3.43Å; N200-C235 PolarHBondContact OD1-O 2.77Å; F203-C235 HydrophobicContact CD2-CB 4.23Å; F203-C235 HydrophobicContact CE2-CB 4.15Å; C235-I249 HydrophobicContact CB-CG1 4.26Å
236	G	98.3	Very high	96.8	Very high	35 Å²	35	50.4 Å²	50.4	36%	0.361	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-73.3	171.2	173.5	0	0	0	0	0	112.8	E248	G236-E248 PolarHBondContact N-O 3.5Å
237	E	98.3	Very high	96.9	Very high	144 Å²	144	50.4 Å²	50.4	67%	0.673	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-58.6	146	174.1	-64.1	-57.9	145.5	0	0	111.8	L196	L196-E237 WeakPolarHBondContact CD2-OE2 3.37Å
238	P	98.3	Very high	96.9	Very high	40 Å²	40	45.7 Å²	45.7	26%	0.26	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-71	152.9	179.6	30.6	-36.1	0	0	0	112.5	T173 L191 E245 F246	T173-P238 HydrophobicContact CG2-CB 4.07Å; L191-P238 HydrophobicContact CB-CG 4.46Å; P238-E245 HydrophobicContact CB-CG 3.72Å; P238-F246 CarbonylContact C-O 3.55Å; P238-F246 VanDerWaalsContact CA-O 3.28Å; P238-F246 WeakPolarHBondContact CA-O 3.37Å
239	F	97.7	Very high	96.9	Very high	64 Å²	64	43.6 Å²	43.6	28%	0.281	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.1	176.5	59.3	-93.1	0	0	0	110.8	M170 R241 F246 E248	M170-F239 HydrophobicContact CE-CE2 4.4Å; M170-F239 HydrophobicContact CE-CZ 3.86Å; M170-F239 HydrophobicContact CG-CZ 4.33Å; M170-F239 HydrophobicContact SD-CZ 4.22Å; F239-R241 HydrophobicContact CD2-CG 3.94Å; F239-R241 HydrophobicContact CE2-CG 4.02Å; F239-F246 HydrophobicContact CD2-CB 4.26Å; F239-F246 HydrophobicContact CE1-CB 4.45Å; F239-F246 HydrophobicContact CE2-CB 3.64Å; F239-F246 HydrophobicContact CE2-CG 4.5Å; F239-F246 HydrophobicContact CZ-CB 3.74Å; F239-F246 PolarHBondContact N-O 2.99Å; F239-F246 PolarHBondContact O-N 3.05Å; F239-E248 HydrophobicContact CE1-CB 4.4Å
240	V	96.6	Very high	97	Very high	85 Å²	85	42.2 Å²	42.2	52%	0.515	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126	-177.7	178.8	0	0	0	0	110.7	A244 E245	V240-A244 WeakPolarHBondContact CA-O 3.29Å; V240-E245 HydrophobicContact CG2-CB 4.38Å; V240-E245 HydrophobicContact CG2-CG 4.46Å
241	R	94.4	Very high	97	Very high	76 Å²	76	42.4 Å²	42.4	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.1	170	-72.7	-174.2	-172.4	-138.2	3	109.4	F239 G243 A244 F246 E337 V345	F239-R241 HydrophobicContact CD2-CG 3.94Å; F239-R241 HydrophobicContact CE2-CG 4.02Å; R241-G243 PolarHBondContact O-N 3.18Å; R241-A244 PolarHBondContact N-O 2.93Å; R241-A244 PolarHBondContact O-N 3.39Å; R241-F246 HydrophobicContact CB-CD2 4.34Å; R241-F246 WeakPolarHBondContact O-CE2 3.39Å; R241-E337 IonicContact CZ-OE1 3.68Å; R241-E337 IonicContact CZ-OE2 3.42Å; R241-E337 IonicContact NH1-OE1 3.13Å; R241-E337 IonicContact NH1-OE2 3.92Å; R241-E337 PolarHBondContact NH1-OE2 3.45Å; R241-E337 IonicContact NH2-OE1 2.76Å; R241-E337 PolarHBondContact NH2-OE1 2.9Å; R241-E337 IonicContact NH2-OE2 3.24Å; R241-E337 PolarHBondContact NH2-OE2 2.81Å; R241-V345 HydrophobicContact CB-CG1 4.09Å; R241-V345 HydrophobicContact CB-CG2 4.06Å
242	G	88.7	Confident	97	Very high	69 Å²	69	43.8 Å²	43.8	71%	0.711	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	23.6	-179.9	0	0	0	0	0	115	A244	G242-A244 VanDerWaalsContact C-N 3.25Å; G242-A244 PolarHBondContact O-N 3.04Å
243	G	90.6	Very high	97	Very high	48 Å²	48	38.6 Å²	38.6	50%	0.495	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-21.9	-178.2	0	0	0	0	0	115.2	R190 R241	R190-G243 PolarHBondContact NH2-O 2.96Å; R241-G243 PolarHBondContact O-N 3.18Å
244	A	93.8	Very high	96.9	Very high	10 Å²	10	42.2 Å²	42.2	8%	0.083	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	155.3	171.9	0	0	0	0	0	111.5	A187 V240 R241 G242 F246	A187-A244 HydrophobicContact CB-CB 3.74Å; V240-A244 WeakPolarHBondContact CA-O 3.29Å; R241-A244 PolarHBondContact N-O 2.93Å; R241-A244 PolarHBondContact O-N 3.39Å; G242-A244 VanDerWaalsContact C-N 3.25Å; G242-A244 PolarHBondContact O-N 3.04Å; A244-F246 HydrophobicContact CB-CD2 4.43Å; A244-F246 HydrophobicContact CB-CE2 3.86Å
245	E	97	Very high	96.8	Very high	21 Å²	21	42.4 Å²	42.4	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.1	172	-170.9	-170.1	-99.2	0	0	110.3	P172 T173 R190 L191 P238 V240	P172-E245 CarbonylContact C-O 3.54Å; P172-E245 WeakPolarHBondContact CA-O 3.43Å; T173-E245 VanDerWaalsContact CB-OE2 3.27Å; T173-E245 WeakPolarHBondContact CB-OE2 3.3Å; T173-E245 HydrophobicContact CG2-CB 4.46Å; T173-E245 HydrophobicContact CG2-CG 3.87Å; T173-E245 VanDerWaalsContact CG2-OE2 3.3Å; T173-E245 WeakPolarHBondContact CG2-OE2 3.32Å; T173-E245 PolarHBondContact N-O 2.87Å; T173-E245 PolarHBondContact OG1-O 2.91Å; T173-E245 PolarHBondContact OG1-OE2 3.41Å; R190-E245 WeakPolarHBondContact CA-OE2 3.23Å; R190-E245 WeakPolarHBondContact CD-OE1 3.38Å; L191-E245 WeakPolarHBondContact CB-OE2 3.19Å; L191-E245 PolarHBondContact N-OE2 2.99Å; P238-E245 HydrophobicContact CB-CG 3.72Å; V240-E245 HydrophobicContact CG2-CB 4.38Å; V240-E245 HydrophobicContact CG2-CG 4.46Å
246	F	98.3	Very high	96.7	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.8	179.3	-71.5	-101.3	0	0	0	109.9	M170 L171 P172 P238 F239 R241 A244 V345 E348	M170-F246 HydrophobicContact CG-CB 4.42Å; M170-F246 HydrophobicContact CG-CD1 3.92Å; M170-F246 HydrophobicContact SD-CD1 4.28Å; L171-F246 VanDerWaalsContact C-CD1 3.45Å; L171-F246 CarbonylContact O-C 3.58Å; L171-F246 WeakPolarHBondContact O-CA 3.44Å; P172-F246 HydrophobicContact CB-CE1 4.48Å; P172-F246 HydrophobicContact CG-CD1 4.19Å; P172-F246 HydrophobicContact CG-CE1 3.7Å; P172-F246 HydrophobicContact CG-CZ 4.18Å; P238-F246 CarbonylContact C-O 3.55Å; P238-F246 VanDerWaalsContact CA-O 3.28Å; P238-F246 WeakPolarHBondContact CA-O 3.37Å; F239-F246 HydrophobicContact CD2-CB 4.26Å; F239-F246 HydrophobicContact CE1-CB 4.45Å; F239-F246 HydrophobicContact CE2-CB 3.64Å; F239-F246 HydrophobicContact CE2-CG 4.5Å; F239-F246 HydrophobicContact CZ-CB 3.74Å; F239-F246 PolarHBondContact N-O 2.99Å; F239-F246 PolarHBondContact O-N 3.05Å; R241-F246 HydrophobicContact CB-CD2 4.34Å; R241-F246 WeakPolarHBondContact O-CE2 3.39Å; A244-F246 HydrophobicContact CB-CD2 4.43Å; A244-F246 HydrophobicContact CB-CE2 3.86Å; F246-V345 HydrophobicContact CE1-CG2 4.3Å; F246-V345 HydrophobicContact CE2-CG1 4.08Å; F246-V345 HydrophobicContact CE2-CG2 4.23Å; F246-V345 HydrophobicContact CZ-CB 4.26Å; F246-V345 HydrophobicContact CZ-CG1 4.09Å; F246-V345 HydrophobicContact CZ-CG2 4.06Å; F246-E348 HydrophobicContact CE1-CB 4.12Å; F246-E348 HydrophobicContact CE1-CG 4.29Å; F246-E348 HydrophobicContact CZ-CB 4.14Å
247	A	98.4	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	162.4	164.6	0	0	0	0	0	109.7	M170 L171 T173	M170-A247 WeakPolarHBondContact CA-O 3.45Å; L171-A247 PolarHBondContact N-O 2.87Å; L171-A247 PolarHBondContact O-N 3.05Å; T173-A247 HydrophobicContact CG2-CB 3.89Å
248	E	98.5	Very high	96.3	Very high	42 Å²	42	42.1 Å²	42.1	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.8	176	-167.2	174.7	81.3	0	0	110.1	G236 F239 Y341	G236-E248 PolarHBondContact N-O 3.5Å; F239-E248 HydrophobicContact CE1-CB 4.4Å; E248-Y341 PolarHBondContact OE2-OH 3.08Å
249	I	98.8	Very high	96.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.5	173.7	-55.9	161.8	0	0	0	107.8	S168 Y169 L171 F176 F203 M233 S234 C235 I265	S168-I249 CarbonylContact C-O 3.48Å; S168-I249 WeakPolarHBondContact CA-O 3.46Å; Y169-I249 HydrophobicContact CD1-CD1 4.26Å; Y169-I249 PolarHBondContact N-O 2.85Å; Y169-I249 PolarHBondContact O-N 3.09Å; L171-I249 HydrophobicContact CD1-CD1 4.31Å; L171-I249 HydrophobicContact CD2-CD1 3.64Å; L171-I249 HydrophobicContact CD2-CG1 3.87Å; F176-I249 HydrophobicContact CZ-CD1 4.27Å; F203-I249 HydrophobicContact CD2-CG2 4.3Å; F203-I249 HydrophobicContact CE1-CG2 4.49Å; F203-I249 HydrophobicContact CE2-CD1 3.9Å; F203-I249 HydrophobicContact CE2-CG1 3.89Å; F203-I249 HydrophobicContact CE2-CG2 3.92Å; F203-I249 HydrophobicContact CZ-CD1 3.64Å; F203-I249 HydrophobicContact CZ-CG1 4.15Å; F203-I249 HydrophobicContact CZ-CG2 4.05Å; M233-I249 HydrophobicContact CE-CG2 3.76Å; M233-I249 HydrophobicContact CG-CG2 4.42Å; S234-I249 CarbonylContact O-C 3.55Å; S234-I249 VanDerWaalsContact O-CA 3.29Å; S234-I249 WeakPolarHBondContact O-CA 3.31Å; S234-I249 WeakPolarHBondContact O-CG2 3.39Å; C235-I249 HydrophobicContact CB-CG1 4.26Å; I249-I265 HydrophobicContact CD1-CD1 4.07Å; I249-I265 HydrophobicContact CD1-CG1 4.1Å; I249-I265 HydrophobicContact CD1-CG2 3.87Å
250	T	98.8	Very high	96.2	Very high	48 Å²	48	37.5 Å²	37.5	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.4	172.1	-67	0	0	0	0	110.3	T166 M233 S234	T166-T250 HydrophobicContact CG2-CG2 3.8Å; M233-T250 VanDerWaalsContact CA-O 3.29Å; M233-T250 WeakPolarHBondContact CA-O 3.2Å; S234-T250 PolarHBondContact N-O 2.95Å; S234-T250 PolarHBondContact O-N 2.85Å
251	V	98.8	Very high	96.2	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.7	172.7	64.3	0	0	0	0	111.4	T166 Y167 I230 E232 M233 F256 I261	T166-V251 CarbonylContact C-O 3.56Å; T166-V251 VanDerWaalsContact CA-O 3.32Å; T166-V251 WeakPolarHBondContact CA-O 3.45Å; Y167-V251 PolarHBondContact N-O 3.04Å; Y167-V251 PolarHBondContact O-N 3.38Å; I230-V251 HydrophobicContact CG2-CG2 4.15Å; E232-V251 WeakPolarHBondContact O-CA 3.34Å; M233-V251 HydrophobicContact CB-CB 4.37Å; M233-V251 HydrophobicContact CB-CG2 4.05Å; M233-V251 HydrophobicContact CE-CB 4.3Å; M233-V251 HydrophobicContact CE-CG2 4.5Å; M233-V251 HydrophobicContact CG-CB 3.87Å; M233-V251 HydrophobicContact CG-CG2 3.89Å; M233-V251 HydrophobicContact SD-CB 4.2Å; M233-V251 HydrophobicContact SD-CG2 3.89Å; V251-F256 HydrophobicContact CG1-CE1 4.47Å; V251-F256 HydrophobicContact CG1-CZ 4.3Å; V251-F256 HydrophobicContact CG2-CE1 4.01Å; V251-F256 HydrophobicContact CG2-CZ 4.06Å; V251-I261 HydrophobicContact CG1-CD1 3.95Å; V251-I261 HydrophobicContact CG1-CG1 4.15Å; V251-I261 HydrophobicContact CG1-CG2 3.9Å
252	R	98.6	Very high	96.4	Very high	68 Å²	68	31.6 Å²	31.6	26%	0.257	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.2	173.2	-171.5	178.9	-173.7	-152.3	-1.1	110.1	R165 T231 E232 H306 D308	R165-R252 WeakPolarHBondContact O-CA 3.33Å; T231-R252 WeakPolarHBondContact CB-O 3.49Å; T231-R252 PolarHBondContact N-O 2.81Å; E232-R252 PolarHBondContact N-O 3.07Å; E232-R252 PolarHBondContact O-N 3.44Å; R252-H306 PolarHBondContact NE-CE1 3.16Å; R252-H306 VanDerWaalsContact NE-CE1 3.35Å; R252-H306 PolarHBondContact NH2-ND1 2.9Å; R252-D308 IonicContact NH2-OD2 3.41Å; R252-D308 PolarHBondContact NH2-OD2 3.48Å; R252-D308 VanDerWaalsContact NH2-OD2 3.15Å
253	G	98.1	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158	178.8	0	0	0	0	0	112.3	A164 R165 Y229	A164-G253 CarbonylContact C-O 3.47Å; A164-G253 VanDerWaalsContact CA-O 3.3Å; A164-G253 WeakPolarHBondContact CA-O 3.5Å; A164-G253 WeakPolarHBondContact CB-O 3.47Å; R165-G253 PolarHBondContact N-O 3.36Å; R165-G253 PolarHBondContact O-N 3.5Å; R165-G253 VanDerWaalsContact O-N 3.08Å; Y229-G253 WeakPolarHBondContact O-CA 3.32Å
254	Q	96.4	Very high	97.3	Very high	84 Å²	84	26.4 Å²	26.4	39%	0.393	13%	0.131	S	C	.	.	S	Bend	trans	-64	-47.1	-178.3	-78.2	171.9	4.8	0	0	111.8	D163 R165 Y229	D163-Q254 WeakPolarHBondContact O-CA 3.48Å; R165-Q254 PolarHBondContact NH1-O 2.96Å; Y229-Q254 HydrophobicContact CD1-CG 3.9Å; Y229-Q254 PolarHBondContact O-N 2.97Å; Y229-Q254 VanDerWaalsContact O-N 3.12Å
255	S	95.3	Very high	97.5	Very high	45 Å²	45	26 Å²	26	32%	0.315	13%	0.127	S	C	.	.			trans	-151.2	158.8	175.7	56.9	0	0	0	0	109.6	R228	R228-S255 WeakPolarHBondContact CD-O 3.46Å; R228-S255 VanDerWaalsContact CD-OG 3.28Å; R228-S255 WeakPolarHBondContact CD-OG 3.23Å; R228-S255 PolarHBondContact NE-OG 2.86Å
256	F	96.9	Very high	97.6	Very high	39 Å²	39	25 Å²	25	17%	0.171	12%	0.122	C	C	.	.			trans	-128.7	146.5	178.4	-61.9	-85.2	0	0	0	109.3	R165 Y167 I230 V251 I261	R165-F256 HydrophobicContact CB-CD2 4.43Å; R165-F256 HydrophobicContact CB-CE2 4.15Å; Y167-F256 HydrophobicContact CD2-CD2 4.12Å; Y167-F256 AromaticContact CD2-CE2 3.86Å; Y167-F256 HydrophobicContact CD2-CE2 3.86Å; Y167-F256 HydrophobicContact CD2-CZ 4.47Å; Y167-F256 AromaticContact CE2-CD2 3.77Å; Y167-F256 HydrophobicContact CE2-CD2 3.77Å; Y167-F256 AromaticContact CE2-CE2 3.94Å; Y167-F256 HydrophobicContact CE2-CE2 3.94Å; I230-F256 HydrophobicContact CD1-CD1 4.33Å; I230-F256 HydrophobicContact CD1-CE1 3.63Å; I230-F256 HydrophobicContact CD1-CZ 4.34Å; V251-F256 HydrophobicContact CG1-CE1 4.47Å; V251-F256 HydrophobicContact CG1-CZ 4.3Å; V251-F256 HydrophobicContact CG2-CE1 4.01Å; V251-F256 HydrophobicContact CG2-CZ 4.06Å; F256-I261 HydrophobicContact CD1-CD1 3.75Å; F256-I261 HydrophobicContact CD1-CG1 3.44Å; F256-I261 VanDerWaalsContact CD1-CG1 3.44Å; F256-I261 HydrophobicContact CD2-CD1 4.13Å; F256-I261 HydrophobicContact CE1-CD1 3.85Å; F256-I261 HydrophobicContact CE1-CG1 3.64Å; F256-I261 HydrophobicContact CE2-CD1 4.23Å; F256-I261 HydrophobicContact CG-CD1 3.88Å; F256-I261 HydrophobicContact CG-CG1 4Å; F256-I261 HydrophobicContact CZ-CD1 4.08Å; F256-I261 HydrophobicContact CZ-CG1 4.36Å
257	M	96	Very high	97.6	Very high	22 Å²	22	25 Å²	25	11%	0.108	12%	0.122	C	C	.	.			trans	-86.1	167.5	169.7	-62.5	-174.2	-67.5	0	0	110.6	F212 T216 K219 A226 R228 H259 Q260	F212-M257 HydrophobicContact CB-CE 3.52Å; F212-M257 WeakPolarHBondContact O-CE 3.37Å; T216-M257 HydrophobicContact CG2-CB 4.28Å; T216-M257 HydrophobicContact CG2-CE 3.57Å; T216-M257 HydrophobicContact CG2-SD 3.81Å; K219-M257 HydrophobicContact CG-SD 4.37Å; A226-M257 HydrophobicContact CB-CE 4.41Å; R228-M257 HydrophobicContact CG-CE 4.29Å; R228-M257 HydrophobicContact CG-CG 4.42Å; R228-M257 PolarHBondContact NH2-SD 3.42Å; M257-H259 PolarHBondContact O-N 3Å; M257-Q260 HydrophobicContact CB-CB 4.21Å; M257-Q260 VanDerWaalsContact O-CB 3.32Å; M257-Q260 WeakPolarHBondContact O-CB 3.23Å; M257-Q260 PolarHBondContact O-N 2.88Å; M257-Q260 VanDerWaalsContact O-N 3.17Å
258	M	93	Very high	97.6	Very high	118 Å²	118	25 Å²	25	58%	0.581	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.2	172.5	-168.1	168.8	-173.1	0	0	109.7	T216 Q260	T216-M258 WeakPolarHBondContact CB-O 3.42Å; T216-M258 PolarHBondContact OG1-O 3.42Å; T216-M258 VanDerWaalsContact OG1-O 3.11Å; M258-Q260 PolarHBondContact O-N 2.93Å
259	H	94.6	Very high	97.6	Very high	6 Å²	6	23 Å²	23	3%	0.028	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-3.7	-177.1	-50.5	150.4	0	0	0	116.9	D112 M257 I261 R262 K263 K294 D381	D112-H259 IonicContact OD2-CD2 2.71Å; M257-H259 PolarHBondContact O-N 3Å; H259-I261 PolarHBondContact O-N 3.12Å; H259-R262 WeakPolarHBondContact O-CB 3.49Å; H259-R262 PolarHBondContact O-N 2.8Å; H259-R262 VanDerWaalsContact O-N 3.11Å; H259-K263 PolarHBondContact O-N 2.97Å; H259-K294 HydrophobicContact CB-CD 4.1Å; H259-K294 HydrophobicContact CB-CG 4.45Å; H259-D381 IonicContact CE1-OD1 2.81Å
260	Q	98.1	Very high	97.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-56.4	-52	-168.6	-168.8	-173	-24.7	0	0	114.4	F212 F215 M257 M258 R262 K263 M264	F212-Q260 HydrophobicContact CB-CG 4.43Å; F212-Q260 HydrophobicContact CD1-CG 4.11Å; F212-Q260 VanDerWaalsContact CD1-NE2 3.35Å; F212-Q260 HydrophobicContact CG-CG 4.47Å; F215-Q260 HydrophobicContact CB-CG 4.06Å; F215-Q260 WeakPolarHBondContact O-CA 3.36Å; F215-Q260 PolarHBondContact O-N 2.93Å; M257-Q260 HydrophobicContact CB-CB 4.21Å; M257-Q260 VanDerWaalsContact O-CB 3.32Å; M257-Q260 WeakPolarHBondContact O-CB 3.23Å; M257-Q260 PolarHBondContact O-N 2.88Å; M257-Q260 VanDerWaalsContact O-N 3.17Å; M258-Q260 PolarHBondContact O-N 2.93Å; Q260-R262 VanDerWaalsContact C-N 3.3Å; Q260-R262 PolarHBondContact O-N 2.86Å; Q260-K263 PolarHBondContact O-N 3.41Å; Q260-M264 HydrophobicContact CG-CG 4.44Å; Q260-M264 HydrophobicContact CG-SD 3.83Å; Q260-M264 WeakPolarHBondContact O-CB 3.46Å; Q260-M264 WeakPolarHBondContact O-CG 3.48Å; Q260-M264 PolarHBondContact O-N 2.95Å
261	I	98.3	Very high	97.4	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.046	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-40.6	-179.2	-60.3	170.9	0	0	0	110.4	Y167 V251 F256 H259 M264 I265 L300	Y167-I261 HydrophobicContact CD1-CD1 4.07Å; Y167-I261 HydrophobicContact CD2-CD1 3.37Å; Y167-I261 HydrophobicContact CE1-CD1 4.47Å; Y167-I261 HydrophobicContact CE2-CD1 3.84Å; Y167-I261 HydrophobicContact CG-CD1 3.5Å; Y167-I261 VanDerWaalsContact CG-CD1 3.5Å; V251-I261 HydrophobicContact CG1-CD1 3.95Å; V251-I261 HydrophobicContact CG1-CG1 4.15Å; V251-I261 HydrophobicContact CG1-CG2 3.9Å; F256-I261 HydrophobicContact CD1-CD1 3.75Å; F256-I261 HydrophobicContact CD1-CG1 3.44Å; F256-I261 VanDerWaalsContact CD1-CG1 3.44Å; F256-I261 HydrophobicContact CD2-CD1 4.13Å; F256-I261 HydrophobicContact CE1-CD1 3.85Å; F256-I261 HydrophobicContact CE1-CG1 3.64Å; F256-I261 HydrophobicContact CE2-CD1 4.23Å; F256-I261 HydrophobicContact CG-CD1 3.88Å; F256-I261 HydrophobicContact CG-CG1 4Å; F256-I261 HydrophobicContact CZ-CD1 4.08Å; F256-I261 HydrophobicContact CZ-CG1 4.36Å; H259-I261 PolarHBondContact O-N 3.12Å; I261-M264 PolarHBondContact O-N 3.31Å; I261-I265 HydrophobicContact CG2-CD1 3.8Å; I261-I265 HydrophobicContact CG2-CG1 4.45Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.49Å; I261-I265 PolarHBondContact O-N 2.81Å; I261-L300 HydrophobicContact CB-CD1 4.32Å; I261-L300 HydrophobicContact CD1-CD1 4.35Å; I261-L300 HydrophobicContact CG2-CD1 3.74Å
262	R	97.9	Very high	97.4	Very high	28 Å²	28	22.3 Å²	22.3	11%	0.106	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-39.8	179.8	-64.7	168.3	60	-161.9	-2.8	111.9	D112 H259 Q260 G266 A295 P296 L300	D112-R262 IonicContact OD2-NH1 3.07Å; H259-R262 WeakPolarHBondContact O-CB 3.49Å; H259-R262 PolarHBondContact O-N 2.8Å; H259-R262 VanDerWaalsContact O-N 3.11Å; Q260-R262 VanDerWaalsContact C-N 3.3Å; Q260-R262 PolarHBondContact O-N 2.86Å; R262-G266 PolarHBondContact O-N 3.16Å; R262-A295 HydrophobicContact CB-CB 4.38Å; R262-A295 VanDerWaalsContact CZ-O 3.29Å; R262-A295 PolarHBondContact NE-O 3.42Å; R262-A295 PolarHBondContact NH2-O 2.98Å; R262-A295 VanDerWaalsContact O-CB 3.26Å; R262-A295 WeakPolarHBondContact O-CB 3.12Å; R262-A295 PolarHBondContact O-N 3.38Å; R262-A295 VanDerWaalsContact O-N 3.16Å; R262-P296 PolarHBondContact NE-O 3.25Å; R262-L300 HydrophobicContact CG-CD2 4.23Å
263	K	98.4	Very high	97.2	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-70.8	-36.9	172.7	-78.9	-162.2	171.4	-159	0	112.1	F215 H259 Q260 I265 G266 L267 V292 P293 K294 D377	F215-K263 HydrophobicContact CB-CB 4.15Å; F215-K263 HydrophobicContact CD1-CB 4Å; H259-K263 PolarHBondContact O-N 2.97Å; Q260-K263 PolarHBondContact O-N 3.41Å; K263-I265 PolarHBondContact O-N 2.67Å; K263-G266 PolarHBondContact O-N 3.27Å; K263-L267 PolarHBondContact O-N 2.87Å; K263-V292 HydrophobicContact CB-CB 4.42Å; K263-V292 HydrophobicContact CB-CG1 3.66Å; K263-V292 HydrophobicContact CD-CB 4.14Å; K263-V292 HydrophobicContact CD-CG1 4.31Å; K263-V292 WeakPolarHBondContact CD-O 3.29Å; K263-V292 WeakPolarHBondContact CE-O 3.33Å; K263-V292 HydrophobicContact CG-CB 4.47Å; K263-V292 HydrophobicContact CG-CG1 4.1Å; K263-V292 PolarHBondContact NZ-O 2.81Å; K263-V292 WeakPolarHBondContact O-CG1 3.31Å; K263-P293 WeakPolarHBondContact CA-O 3.29Å; K263-K294 HydrophobicContact CG-CB 4.18Å; K263-D377 IonicContact NZ-OD2 3.64Å; K263-D377 PolarHBondContact NZ-OD2 3.24Å
264	M	98.7	Very high	97	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-43.1	175.4	-73.5	165.9	68.2	0	0	112.3	Y206 F212 F215 I230 M233 Q260 I261 V268	Y206-M264 HydrophobicContact CD1-CE 3.94Å; Y206-M264 HydrophobicContact CD1-CG 4.34Å; Y206-M264 HydrophobicContact CD2-CB 4.46Å; Y206-M264 HydrophobicContact CD2-CE 3.79Å; Y206-M264 HydrophobicContact CE1-CB 4.33Å; Y206-M264 HydrophobicContact CE1-CE 4.44Å; Y206-M264 HydrophobicContact CE1-CG 3.96Å; Y206-M264 HydrophobicContact CE2-CB 3.87Å; Y206-M264 HydrophobicContact CE2-CE 4.31Å; Y206-M264 HydrophobicContact CE2-CG 4.32Å; Y206-M264 WeakPolarHBondContact CE2-O 3.36Å; Y206-M264 HydrophobicContact CG-CE 3.58Å; Y206-M264 WeakPolarHBondContact OH-CA 3.46Å; Y206-M264 PolarHBondContact OH-O 3.15Å; F212-M264 HydrophobicContact CD1-CG 4.27Å; F212-M264 HydrophobicContact CD1-SD 4.13Å; F212-M264 HydrophobicContact CE1-CE 3.94Å; F212-M264 HydrophobicContact CE1-CG 3.93Å; F212-M264 HydrophobicContact CE1-SD 3.62Å; F212-M264 HydrophobicContact CZ-CE 4.35Å; F212-M264 HydrophobicContact CZ-SD 4.42Å; F215-M264 HydrophobicContact CD1-CB 4.34Å; F215-M264 HydrophobicContact CD1-CG 3.68Å; F215-M264 HydrophobicContact CE1-CG 4.08Å; F215-M264 HydrophobicContact CG-CG 4.29Å; I230-M264 HydrophobicContact CD1-CE 3.96Å; I230-M264 HydrophobicContact CD1-SD 4.39Å; I230-M264 HydrophobicContact CG1-CE 3.95Å; M233-M264 HydrophobicContact SD-CE 3.6Å; M233-M264 VanDerWaalsContact SD-CE 3.6Å; Q260-M264 HydrophobicContact CG-CG 4.44Å; Q260-M264 HydrophobicContact CG-SD 3.83Å; Q260-M264 WeakPolarHBondContact O-CB 3.46Å; Q260-M264 WeakPolarHBondContact O-CG 3.48Å; Q260-M264 PolarHBondContact O-N 2.95Å; I261-M264 PolarHBondContact O-N 3.31Å; M264-V268 PolarHBondContact O-N 3.27Å
265	I	98.6	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.5	-46	176.3	-67.1	171.6	0	0	0	110.7	Y169 F203 M233 I249 I261 K263 L267 V268 I269 A295	Y169-I265 VanDerWaalsContact CB-CD1 3.46Å; Y169-I265 HydrophobicContact CD1-CD1 3.88Å; Y169-I265 HydrophobicContact CD1-CG2 4.34Å; Y169-I265 HydrophobicContact CD2-CD1 3.81Å; Y169-I265 HydrophobicContact CE1-CG2 4.34Å; Y169-I265 HydrophobicContact CG-CD1 3.43Å; Y169-I265 VanDerWaalsContact CG-CD1 3.43Å; F203-I265 HydrophobicContact CE1-CG1 4.34Å; M233-I265 HydrophobicContact CE-CD1 4.37Å; M233-I265 HydrophobicContact CE-CG1 3.67Å; I249-I265 HydrophobicContact CD1-CD1 4.07Å; I249-I265 HydrophobicContact CD1-CG1 4.1Å; I249-I265 HydrophobicContact CD1-CG2 3.87Å; I261-I265 HydrophobicContact CG2-CD1 3.8Å; I261-I265 HydrophobicContact CG2-CG1 4.45Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.49Å; I261-I265 PolarHBondContact O-N 2.81Å; K263-I265 PolarHBondContact O-N 2.67Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 2.8Å; I265-V268 PolarHBondContact O-N 2.88Å; I265-I269 HydrophobicContact CG2-CD1 3.75Å; I265-I269 HydrophobicContact CG2-CG1 4.38Å; I265-I269 WeakPolarHBondContact O-CG1 3.49Å; I265-I269 PolarHBondContact O-N 2.97Å; I265-A295 HydrophobicContact CG2-CB 4.37Å
266	G	98.3	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-38.6	-179.8	0	0	0	0	0	113.7	R262 K263 I269 A270 P293	R262-G266 PolarHBondContact O-N 3.16Å; K263-G266 PolarHBondContact O-N 3.27Å; G266-I269 PolarHBondContact O-N 2.93Å; G266-A270 PolarHBondContact O-N 3.1Å; G266-P293 WeakPolarHBondContact CA-O 3.38Å
267	L	98.4	Very high	96.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-43.9	175.2	-165.2	58.5	0	0	0	112.6	F215 K263 I265 I269 A270 V271 V280 L281 V292 F366	F215-L267 HydrophobicContact CE1-CB 4.34Å; F215-L267 HydrophobicContact CE1-CD2 3.77Å; F215-L267 HydrophobicContact CZ-CD2 3.66Å; K263-L267 PolarHBondContact O-N 2.87Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 2.8Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-A270 PolarHBondContact O-N 2.82Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 2.89Å; L267-V280 HydrophobicContact CD1-CG1 3.87Å; L267-V280 HydrophobicContact CD1-CG2 4.34Å; L267-V280 HydrophobicContact CG-CG1 4.32Å; L267-L281 HydrophobicContact CD2-CD1 3.88Å; L267-V292 HydrophobicContact CB-CG1 3.91Å; L267-V292 HydrophobicContact CD1-CG1 4.37Å; L267-V292 HydrophobicContact CD1-CG2 4.43Å; L267-V292 HydrophobicContact CD2-CG2 4.43Å; L267-F366 HydrophobicContact CD1-CE1 4.21Å
268	V	98.6	Very high	96.6	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-39.1	178.8	172.2	0	0	0	0	110.7	L202 F203 Y206 M264 I265 V271 V272	L202-V268 HydrophobicContact CB-CG1 3.9Å; L202-V268 HydrophobicContact CB-CG2 4.06Å; L202-V268 HydrophobicContact CD1-CG1 4.15Å; F203-V268 HydrophobicContact CD1-CB 4.2Å; F203-V268 HydrophobicContact CD1-CG1 4.19Å; F203-V268 HydrophobicContact CD1-CG2 3.76Å; F203-V268 HydrophobicContact CE1-CB 3.61Å; F203-V268 HydrophobicContact CE1-CG1 3.75Å; F203-V268 HydrophobicContact CE1-CG2 3.62Å; F203-V268 HydrophobicContact CE2-CG1 4.24Å; F203-V268 HydrophobicContact CZ-CB 4.01Å; F203-V268 HydrophobicContact CZ-CG1 3.76Å; F203-V268 HydrophobicContact CZ-CG2 4.46Å; Y206-V268 HydrophobicContact CE2-CG2 3.7Å; M264-V268 PolarHBondContact O-N 3.27Å; I265-V268 PolarHBondContact O-N 2.88Å; V268-V271 PolarHBondContact O-N 3.43Å; V268-V272 HydrophobicContact CG1-CG2 4.18Å; V268-V272 WeakPolarHBondContact O-CB 3.25Å; V268-V272 VanDerWaalsContact O-CG2 3.22Å; V268-V272 WeakPolarHBondContact O-CG2 3.28Å; V268-V272 PolarHBondContact O-N 2.89Å
269	I	98.3	Very high	96.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.3	-52.8	171.3	-68.3	168.4	0	0	0	110	L171 A175 F176 I265 G266 L267 V271 V272 K273 M354 W357 L361	L171-I269 HydrophobicContact CD1-CD1 4.01Å; A175-I269 HydrophobicContact CB-CD1 4.17Å; A175-I269 HydrophobicContact CB-CG1 4.42Å; A175-I269 WeakPolarHBondContact O-CG2 3.4Å; F176-I269 HydrophobicContact CD1-CG1 4.31Å; F176-I269 HydrophobicContact CE1-CG1 3.88Å; I265-I269 HydrophobicContact CG2-CD1 3.75Å; I265-I269 HydrophobicContact CG2-CG1 4.38Å; I265-I269 WeakPolarHBondContact O-CG1 3.49Å; I265-I269 PolarHBondContact O-N 2.97Å; G266-I269 PolarHBondContact O-N 2.93Å; L267-I269 VanDerWaalsContact C-N 3.34Å; I269-V271 VanDerWaalsContact C-N 3.3Å; I269-V271 PolarHBondContact O-N 3.12Å; I269-V272 PolarHBondContact O-N 2.87Å; I269-V272 VanDerWaalsContact O-N 3.14Å; I269-K273 HydrophobicContact CG2-CD 3.87Å; I269-K273 HydrophobicContact CG2-CG 4Å; I269-K273 VanDerWaalsContact O-CG 3.3Å; I269-K273 WeakPolarHBondContact O-CG 3.38Å; I269-K273 PolarHBondContact O-N 2.91Å; I269-M354 HydrophobicContact CD1-SD 4.49Å; I269-W357 HydrophobicContact CB-CH2 4.22Å; I269-W357 HydrophobicContact CB-CZ3 4.46Å; I269-W357 HydrophobicContact CD1-CH2 3.98Å; I269-W357 HydrophobicContact CD1-CZ3 3.85Å; I269-W357 HydrophobicContact CG2-CH2 4.07Å; I269-W357 HydrophobicContact CG2-CZ3 3.94Å; I269-L361 HydrophobicContact CG2-CD1 4.17Å
270	A	97.5	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.7	-42.1	-179.1	0	0	0	0	0	113.3	G266 L267 G274 Y275 P293 L361 F366	G266-A270 PolarHBondContact O-N 3.1Å; L267-A270 PolarHBondContact O-N 2.82Å; A270-G274 PolarHBondContact O-N 3.17Å; A270-Y275 WeakPolarHBondContact O-CB 3.42Å; A270-Y275 PolarHBondContact O-N 2.73Å; A270-P293 HydrophobicContact CB-CG 4.28Å; A270-L361 HydrophobicContact CB-CD2 4.44Å; A270-F366 HydrophobicContact CB-CE1 4Å; A270-F366 HydrophobicContact CB-CE2 4.34Å; A270-F366 HydrophobicContact CB-CZ 3.57Å
271	V	97.4	Very high	96.6	Very high	11 Å²	11	19.6 Å²	19.6	7%	0.067	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-48.3	175.6	173.8	0	0	0	0	111.5	L202 L267 V268 I269 K273 G274 S276 V280	L202-V271 HydrophobicContact CD1-CB 4.39Å; L202-V271 HydrophobicContact CD1-CG1 3.87Å; L202-V271 HydrophobicContact CD2-CG1 4.26Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 2.89Å; V268-V271 PolarHBondContact O-N 3.43Å; I269-V271 VanDerWaalsContact C-N 3.3Å; I269-V271 PolarHBondContact O-N 3.12Å; V271-K273 VanDerWaalsContact C-N 3.35Å; V271-K273 PolarHBondContact O-N 3.2Å; V271-G274 PolarHBondContact O-N 2.84Å; V271-S276 WeakPolarHBondContact CA-O 3.46Å; V271-V280 HydrophobicContact CG2-CG1 3.61Å
272	V	97.3	Very high	96.4	Very high	25 Å²	25	26.5 Å²	26.5	15%	0.152	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-35.8	-178	173.3	0	0	0	0	112.2	F176 T195 V199 L202 V268 I269 G274	F176-V272 HydrophobicContact CB-CG1 3.9Å; F176-V272 HydrophobicContact CD1-CB 4.41Å; F176-V272 HydrophobicContact CD1-CG1 4.13Å; F176-V272 HydrophobicContact CG-CG1 4.44Å; T195-V272 HydrophobicContact CG2-CG1 4Å; V199-V272 HydrophobicContact CG2-CG1 4.1Å; V199-V272 HydrophobicContact CG2-CG2 3.86Å; L202-V272 HydrophobicContact CD1-CG2 3.52Å; V268-V272 HydrophobicContact CG1-CG2 4.18Å; V268-V272 WeakPolarHBondContact O-CB 3.25Å; V268-V272 VanDerWaalsContact O-CG2 3.22Å; V268-V272 WeakPolarHBondContact O-CG2 3.28Å; V268-V272 PolarHBondContact O-N 2.89Å; I269-V272 PolarHBondContact O-N 2.87Å; I269-V272 VanDerWaalsContact O-N 3.14Å; V272-G274 PolarHBondContact O-N 3.35Å
273	K	94.3	Very high	96.3	Very high	13 Å²	13	27.6 Å²	27.6	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-71.5	-15.4	173.7	-58.1	-162.8	82.3	63.6	0	113.2	V174 A175 S177 K179 I269 V271 Y275 M358 L361	V174-K273 PolarHBondContact O-NZ 3.07Å; A175-K273 VanDerWaalsContact O-CD 3.23Å; A175-K273 WeakPolarHBondContact O-CD 3.05Å; A175-K273 WeakPolarHBondContact O-CG 3.4Å; A175-K273 PolarHBondContact O-NZ 3.29Å; S177-K273 WeakPolarHBondContact O-CE 3.27Å; S177-K273 VanDerWaalsContact O-CG 3.31Å; S177-K273 WeakPolarHBondContact O-CG 3.45Å; S177-K273 PolarHBondContact O-NZ 3.4Å; S177-K273 PolarHBondContact OG-NZ 2.81Å; K179-K273 VanDerWaalsContact CB-O 3.29Å; K179-K273 WeakPolarHBondContact CB-O 3.1Å; K179-K273 PolarHBondContact N-O 3.37Å; I269-K273 HydrophobicContact CG2-CD 3.87Å; I269-K273 HydrophobicContact CG2-CG 4Å; I269-K273 VanDerWaalsContact O-CG 3.3Å; I269-K273 WeakPolarHBondContact O-CG 3.38Å; I269-K273 PolarHBondContact O-N 2.91Å; V271-K273 VanDerWaalsContact C-N 3.35Å; V271-K273 PolarHBondContact O-N 3.2Å; K273-Y275 HydrophobicContact CB-CD2 3.82Å; K273-Y275 HydrophobicContact CB-CE2 3.96Å; K273-Y275 HydrophobicContact CD-CE2 4.23Å; K273-M358 HydrophobicContact CD-CG 4.45Å; K273-M358 HydrophobicContact CD-SD 3.88Å; K273-M358 VanDerWaalsContact CE-SD 3.52Å; K273-M358 PolarHBondContact NZ-SD 2.85Å; K273-M358 VanDerWaalsContact NZ-SD 3.42Å; K273-L361 HydrophobicContact CD-CD1 3.77Å
274	G	94.9	Very high	96.2	Very high	34 Å²	34	27.2 Å²	27.2	35%	0.351	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	31.8	-179.1	0	0	0	0	0	114.8	K179 A270 V271 V272	K179-G274 WeakPolarHBondContact CD-O 3.5Å; K179-G274 PolarHBondContact NZ-O 3.06Å; A270-G274 PolarHBondContact O-N 3.17Å; V271-G274 PolarHBondContact O-N 2.84Å; V272-G274 PolarHBondContact O-N 3.35Å
275	Y	93.8	Very high	96.1	Very high	70 Å²	70	29.6 Å²	29.6	28%	0.275	15%	0.152	S	C	.	.	S	Bend	trans	-85.1	-19.6	167.3	-71.8	-74.9	0	0	0	113	K179 A270 K273 L361 P362	K179-Y275 HydrophobicContact CB-CE2 4.11Å; A270-Y275 WeakPolarHBondContact O-CB 3.42Å; A270-Y275 PolarHBondContact O-N 2.73Å; K273-Y275 HydrophobicContact CB-CD2 3.82Å; K273-Y275 HydrophobicContact CB-CE2 3.96Å; K273-Y275 HydrophobicContact CD-CE2 4.23Å; Y275-L361 HydrophobicContact CD2-CB 3.94Å; Y275-L361 HydrophobicContact CD2-CD1 4.09Å; Y275-L361 HydrophobicContact CE1-CB 4.46Å; Y275-L361 HydrophobicContact CE2-CB 3.67Å; Y275-L361 HydrophobicContact CE2-CD1 3.82Å; Y275-L361 HydrophobicContact CE2-CG 4.41Å; Y275-L361 HydrophobicContact CG-CB 4.44Å; Y275-P362 HydrophobicContact CE1-CB 4.35Å; Y275-P362 HydrophobicContact CE1-CG 3.84Å
276	S	93.9	Very high	95.9	Very high	14 Å²	14	31.2 Å²	31.2	10%	0.098	17%	0.168	C	C	.	.	S	Bend	trans	-153	159.9	177.7	-169.7	0	0	0	0	110.3	V271 V280 F366	V271-S276 WeakPolarHBondContact CA-O 3.46Å; S276-V280 VanDerWaalsContact OG-CB 3.29Å; S276-V280 WeakPolarHBondContact OG-CB 3.4Å; S276-V280 WeakPolarHBondContact OG-CG1 3.2Å; S276-F366 WeakPolarHBondContact OG-CB 3.45Å
277	G	93.6	Very high	95.7	Very high	26 Å²	26	36.9 Å²	36.9	27%	0.268	19%	0.194	S	C	.	.			trans	-90.3	179.4	175	0	0	0	0	0	113.3	E279 V280	G277-E279 WeakPolarHBondContact CA-OE1 3.45Å; G277-E279 WeakPolarHBondContact CA-OE2 3.47Å; G277-E279 PolarHBondContact N-OE1 2.97Å; G277-E279 VanDerWaalsContact N-OE1 3.11Å; G277-E279 PolarHBondContact O-N 3.23Å; G277-V280 VanDerWaalsContact O-CG1 3.27Å; G277-V280 WeakPolarHBondContact O-CG1 3.39Å; G277-V280 PolarHBondContact O-N 3.06Å
278	D	94	Very high	95.4	Very high	73 Å²	73	40.6 Å²	40.6	39%	0.39	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.6	-179.1	-66.8	55.6	0	0	0	113.8	R198 V280 L281	R198-D278 IonicContact CZ-OD1 2.69Å; R198-D278 IonicContact CZ-OD2 3.64Å; R198-D278 VanDerWaalsContact CZ-OD2 3.28Å; R198-D278 IonicContact NH1-OD1 3.66Å; R198-D278 IonicContact NH1-OD2 3.81Å; R198-D278 PolarHBondContact NH1-OD2 3.11Å; R198-D278 IonicContact NH2-OD1 2.62Å; R198-D278 PolarHBondContact NH2-OD1 3.45Å; R198-D278 IonicContact NH2-OD2 2.67Å; R198-D278 PolarHBondContact NH2-OD2 3.04Å; D278-V280 PolarHBondContact O-N 3.3Å; D278-L281 WeakPolarHBondContact O-CB 3.35Å; D278-L281 PolarHBondContact O-N 3.47Å; D278-L281 VanDerWaalsContact O-N 3.16Å
279	E	94.8	Very high	95	Very high	89 Å²	89	44 Å²	44	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-30.9	-176.4	65.7	-61	133.6	0	0	112.8	G277 L281 K282 R283	G277-E279 WeakPolarHBondContact CA-OE1 3.45Å; G277-E279 WeakPolarHBondContact CA-OE2 3.47Å; G277-E279 PolarHBondContact N-OE1 2.97Å; G277-E279 VanDerWaalsContact N-OE1 3.11Å; G277-E279 PolarHBondContact O-N 3.23Å; E279-L281 PolarHBondContact O-N 3.37Å; E279-K282 PolarHBondContact O-N 3.18Å; E279-K282 VanDerWaalsContact O-N 3.12Å; E279-R283 PolarHBondContact O-N 3.11Å
280	V	96	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-34.6	176.8	81.9	0	0	0	0	112.1	L267 V271 S276 G277 D278 R283 S284 V290 F366	L267-V280 HydrophobicContact CD1-CG1 3.87Å; L267-V280 HydrophobicContact CD1-CG2 4.34Å; L267-V280 HydrophobicContact CG-CG1 4.32Å; V271-V280 HydrophobicContact CG2-CG1 3.61Å; S276-V280 VanDerWaalsContact OG-CB 3.29Å; S276-V280 WeakPolarHBondContact OG-CB 3.4Å; S276-V280 WeakPolarHBondContact OG-CG1 3.2Å; G277-V280 VanDerWaalsContact O-CG1 3.27Å; G277-V280 WeakPolarHBondContact O-CG1 3.39Å; G277-V280 PolarHBondContact O-N 3.06Å; D278-V280 PolarHBondContact O-N 3.3Å; V280-R283 PolarHBondContact O-N 3.16Å; V280-S284 VanDerWaalsContact O-CB 3.29Å; V280-S284 WeakPolarHBondContact O-CB 3.49Å; V280-S284 PolarHBondContact O-N 3.41Å; V280-V290 HydrophobicContact CG2-CG1 3.73Å; V280-F366 HydrophobicContact CG2-CB 4.49Å; V280-F366 HydrophobicContact CG2-CD1 4.22Å
281	L	95.1	Very high	94.7	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-42.2	179.6	-175.5	60	0	0	0	110.5	L202 Y206 L267 D278 E279 S284 W285	L202-L281 HydrophobicContact CD2-CD2 4.26Å; Y206-L281 HydrophobicContact CD1-CD1 4.29Å; Y206-L281 HydrophobicContact CE1-CD1 3.5Å; Y206-L281 VanDerWaalsContact CE1-CD1 3.5Å; Y206-L281 HydrophobicContact CE2-CD1 4.48Å; L267-L281 HydrophobicContact CD2-CD1 3.88Å; D278-L281 WeakPolarHBondContact O-CB 3.35Å; D278-L281 PolarHBondContact O-N 3.47Å; D278-L281 VanDerWaalsContact O-N 3.16Å; E279-L281 PolarHBondContact O-N 3.37Å; L281-S284 PolarHBondContact O-N 3.35Å; L281-S284 PolarHBondContact O-OG 2.96Å; L281-W285 HydrophobicContact CD1-CZ2 3.86Å; L281-W285 HydrophobicContact CD2-CH2 4.39Å; L281-W285 HydrophobicContact CD2-CZ2 4.37Å; L281-W285 HydrophobicContact CG-CH2 3.91Å; L281-W285 HydrophobicContact CG-CZ2 3.7Å
282	K	94.3	Very high	94.7	Very high	154 Å²	154	45.4 Å²	45.4	67%	0.67	23%	0.234	S	C	*	.	H	α-helix	trans	-70.4	-43.1	175.4	-68	175	-177.8	168.8	0	111.9	E279 S284 W285	E279-K282 PolarHBondContact O-N 3.18Å; E279-K282 VanDerWaalsContact O-N 3.12Å; K282-S284 VanDerWaalsContact C-N 3.27Å; K282-S284 PolarHBondContact O-N 3.46Å; K282-W285 HydrophobicContact CB-CZ3 4.45Å; K282-W285 HydrophobicContact CG-CZ3 3.97Å; K282-W285 PolarHBondContact O-N 2.92Å
283	R	95.2	Very high	94.7	Very high	51 Å²	51	44.2 Å²	44.2	19%	0.192	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-38.3	173.9	-93.5	169.8	57.7	-150	-13.8	111.7	E279 V280 W285 G286 E288 V290 F366 E367	E279-R283 PolarHBondContact O-N 3.11Å; V280-R283 PolarHBondContact O-N 3.16Å; R283-W285 PolarHBondContact O-N 3.33Å; R283-W285 VanDerWaalsContact O-N 3.09Å; R283-G286 PolarHBondContact O-N 3.32Å; R283-E288 WeakPolarHBondContact CG-OE2 3.44Å; R283-E288 IonicContact CZ-OE2 3.91Å; R283-E288 IonicContact NE-OE2 2.73Å; R283-E288 PolarHBondContact NE-OE2 3.29Å; R283-E288 IonicContact NH2-OE2 3.88Å; R283-V290 HydrophobicContact CB-CG2 4.48Å; R283-F366 PolarHBondContact NH1-O 3.24Å; R283-F366 PolarHBondContact NH2-O 2.76Å; R283-E367 IonicContact NH1-OE2 2.97Å; R283-E367 PolarHBondContact NH1-OE2 3.38Å
284	S	96.4	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.6	-177.7	79.4	0	0	0	0	115.1	N214 F215 V280 L281 K282	N214-S284 PolarHBondContact ND2-O 2.9Å; F215-S284 VanDerWaalsContact CE2-OG 3.28Å; F215-S284 WeakPolarHBondContact CE2-OG 3.4Å; F215-S284 VanDerWaalsContact CZ-OG 3.23Å; F215-S284 WeakPolarHBondContact CZ-OG 3.31Å; V280-S284 VanDerWaalsContact O-CB 3.29Å; V280-S284 WeakPolarHBondContact O-CB 3.49Å; V280-S284 PolarHBondContact O-N 3.41Å; L281-S284 PolarHBondContact O-N 3.35Å; L281-S284 PolarHBondContact O-OG 2.96Å; K282-S284 VanDerWaalsContact C-N 3.27Å; K282-S284 PolarHBondContact O-N 3.46Å
285	W	96.5	Very high	94.9	Very high	52 Å²	52	43 Å²	43	20%	0.197	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.9	174.7	-50.4	-41.3	0	0	0	114	Y206 H210 L281 K282 R283	Y206-W285 HydrophobicContact CD1-CZ2 4.32Å; H210-W285 HydrophobicContact CB-CG 4.2Å; L281-W285 HydrophobicContact CD1-CZ2 3.86Å; L281-W285 HydrophobicContact CD2-CH2 4.39Å; L281-W285 HydrophobicContact CD2-CZ2 4.37Å; L281-W285 HydrophobicContact CG-CH2 3.91Å; L281-W285 HydrophobicContact CG-CZ2 3.7Å; K282-W285 HydrophobicContact CB-CZ3 4.45Å; K282-W285 HydrophobicContact CG-CZ3 3.97Å; K282-W285 PolarHBondContact O-N 2.92Å; R283-W285 PolarHBondContact O-N 3.33Å; R283-W285 VanDerWaalsContact O-N 3.09Å
286	G	95.1	Very high	94.9	Very high	33 Å²	33	40.5 Å²	40.5	34%	0.34	20%	0.204	S	C	.	.	S	Bend	trans	-74.1	-159.4	177.9	0	0	0	0	0	112.9	R283	R283-G286 PolarHBondContact O-N 3.32Å
287	E	93.7	Very high	94.8	Very high	119 Å²	119	40.4 Å²	40.4	56%	0.556	21%	0.205	S	C	*	.	S	Bend	trans	-89.9	-12.9	173.2	-59.7	-157.9	150.3	0	0	113.6	A221 R222	A221-E287 HydrophobicContact CB-CB 4.21Å; A221-E287 HydrophobicContact CB-CG 4.45Å; R222-E287 WeakPolarHBondContact CG-OE1 3.47Å; R222-E287 IonicContact CZ-OE1 3.5Å; R222-E287 IonicContact CZ-OE2 3.37Å; R222-E287 IonicContact NE-OE1 3.4Å; R222-E287 PolarHBondContact NE-OE1 2.99Å; R222-E287 IonicContact NE-OE2 3.87Å; R222-E287 PolarHBondContact NE-OE2 3.11Å; R222-E287 IonicContact NH2-OE1 2.73Å; R222-E287 PolarHBondContact NH2-OE1 3.39Å; R222-E287 IonicContact NH2-OE2 3.44Å; R222-E287 PolarHBondContact NH2-OE2 3.45Å
288	E	92.1	Very high	94.7	Very high	79 Å²	79	40.4 Å²	40.4	37%	0.369	20%	0.199	S	C	.	.	S	Bend	trans	-61.9	145.1	178.1	-67.8	177.2	-156	0	0	112	H213 N214 R283 T369	H213-E288 VanDerWaalsContact NE2-C 3.31Å; H213-E288 PolarHBondContact NE2-O 2.92Å; N214-E288 PolarHBondContact ND2-O 3.29Å; R283-E288 WeakPolarHBondContact CG-OE2 3.44Å; R283-E288 IonicContact CZ-OE2 3.91Å; R283-E288 IonicContact NE-OE2 2.73Å; R283-E288 PolarHBondContact NE-OE2 3.29Å; R283-E288 IonicContact NH2-OE2 3.88Å; E288-T369 HydrophobicContact CB-CG2 4Å; E288-T369 HydrophobicContact CG-CG2 3.7Å
289	K	91.9	Very high	94.8	Very high	75 Å²	75	37 Å²	37	33%	0.326	18%	0.18	S	C	.	.			trans	-84.6	124.7	165.3	-76	-54.4	-162.5	-179	0	109.9	H213 N214 K219 A370	H213-K289 PolarHBondContact CE1-NZ 3.19Å; H213-K289 PolarHBondContact ND1-NZ 3.02Å; H213-K289 WeakPolarHBondContact NE2-CD 3.46Å; N214-K289 WeakPolarHBondContact OD1-CD 3.41Å; K219-K289 PolarHBondContact O-NZ 3.49Å; K289-A370 HydrophobicContact CB-CB 4.32Å; K289-A370 PolarHBondContact O-N 3.29Å
290	V	94.4	Very high	94.9	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.055	16%	0.163	C	C	.	.			trans	-115.4	129.6	174	178.9	0	0	0	0	107.3	N214 V280 R283 V292	N214-V290 PolarHBondContact OD1-N 2.96Å; V280-V290 HydrophobicContact CG2-CG1 3.73Å; R283-V290 HydrophobicContact CB-CG2 4.48Å; V290-V292 HydrophobicContact CB-CG2 4.17Å; V290-V292 HydrophobicContact CG1-CG2 3.84Å; V290-V292 PolarHBondContact O-N 2.75Å; V290-V292 VanDerWaalsContact O-N 3.11Å
291	D	94.1	Very high	95	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	16%	0.163	C	C	.	.			trans	-76	94.5	172.1	-178.9	14.2	0	0	0	109.5	P293 H364	D291-P293 WeakPolarHBondContact O-CD 3.49Å; D291-H364 IonicContact OD1-CE1 3.76Å; D291-H364 IonicContact OD1-ND1 3.79Å; D291-H364 PolarHBondContact OD1-ND1 2.69Å; D291-H364 VanDerWaalsContact OD1-ND1 3.07Å; D291-H364 IonicContact OD2-CE1 2.9Å; D291-H364 IonicContact OD2-CG 2.75Å; D291-H364 IonicContact OD2-ND1 2.81Å; D291-H364 PolarHBondContact OD2-ND1 2.61Å
292	V	97.1	Very high	95.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.161	C	C	.	.			trans	-92	119.7	-175.7	179.2	0	0	0	0	110.8	N214 F215 K263 L267 V290 K294	N214-V292 HydrophobicContact CB-CG2 4.09Å; F215-V292 HydrophobicContact CD1-CG1 4.09Å; F215-V292 HydrophobicContact CE1-CG1 4.08Å; K263-V292 HydrophobicContact CB-CB 4.42Å; K263-V292 HydrophobicContact CB-CG1 3.66Å; K263-V292 HydrophobicContact CD-CB 4.14Å; K263-V292 HydrophobicContact CD-CG1 4.31Å; K263-V292 WeakPolarHBondContact CD-O 3.29Å; K263-V292 WeakPolarHBondContact CE-O 3.33Å; K263-V292 HydrophobicContact CG-CB 4.47Å; K263-V292 HydrophobicContact CG-CG1 4.1Å; K263-V292 PolarHBondContact NZ-O 2.81Å; K263-V292 WeakPolarHBondContact O-CG1 3.31Å; L267-V292 HydrophobicContact CB-CG1 3.91Å; L267-V292 HydrophobicContact CD1-CG1 4.37Å; L267-V292 HydrophobicContact CD1-CG2 4.43Å; L267-V292 HydrophobicContact CD2-CG2 4.43Å; V290-V292 HydrophobicContact CB-CG2 4.17Å; V290-V292 HydrophobicContact CG1-CG2 3.84Å; V290-V292 PolarHBondContact O-N 2.75Å; V290-V292 VanDerWaalsContact O-N 3.11Å; V292-K294 PolarHBondContact O-N 2.75Å
293	P	97.1	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.			trans	-58.3	130.3	-179.1	-24.7	32.4	0	0	0	113.6	K263 G266 A270 D291 A295 W357 L361 H364 F366	K263-P293 WeakPolarHBondContact CA-O 3.29Å; G266-P293 WeakPolarHBondContact CA-O 3.38Å; A270-P293 HydrophobicContact CB-CG 4.28Å; D291-P293 WeakPolarHBondContact O-CD 3.49Å; P293-A295 PolarHBondContact O-N 2.89Å; P293-W357 HydrophobicContact CB-CZ2 3.86Å; P293-L361 HydrophobicContact CB-CD2 3.9Å; P293-L361 HydrophobicContact CG-CD2 3.94Å; P293-H364 HydrophobicContact CG-CB 4.44Å; P293-F366 HydrophobicContact CG-CE1 3.99Å; P293-F366 HydrophobicContact CG-CZ 3.74Å
294	K	96.4	Very high	95.6	Very high	23 Å²	23	27.8 Å²	27.8	10%	0.1	14%	0.141	C	C	.	.			trans	-89.6	97.3	177.8	-179.4	170.7	65.8	173.8	0	109.6	H259 K263 V292 W357 D381 E384	H259-K294 HydrophobicContact CB-CD 4.1Å; H259-K294 HydrophobicContact CB-CG 4.45Å; K263-K294 HydrophobicContact CG-CB 4.18Å; V292-K294 PolarHBondContact O-N 2.75Å; K294-W357 PolarHBondContact O-NE1 2.98Å; K294-D381 IonicContact NZ-OD1 3.86Å; K294-D381 PolarHBondContact NZ-OD1 3.32Å; K294-E384 IonicContact NZ-OE2 3.59Å; K294-E384 PolarHBondContact NZ-OE2 2.91Å
295	A	96.5	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.			trans	-55.4	159.5	177.1	0	0	0	0	0	112.8	R262 I265 P293 W357	R262-A295 HydrophobicContact CB-CB 4.38Å; R262-A295 VanDerWaalsContact CZ-O 3.29Å; R262-A295 PolarHBondContact NE-O 3.42Å; R262-A295 PolarHBondContact NH2-O 2.98Å; R262-A295 VanDerWaalsContact O-CB 3.26Å; R262-A295 WeakPolarHBondContact O-CB 3.12Å; R262-A295 PolarHBondContact O-N 3.38Å; R262-A295 VanDerWaalsContact O-N 3.16Å; I265-A295 HydrophobicContact CG2-CB 4.37Å; P293-A295 PolarHBondContact O-N 2.89Å; A295-W357 HydrophobicContact CB-CH2 4.36Å; A295-W357 HydrophobicContact CB-CZ2 4.14Å
296	P	94.4	Very high	95.7	Very high	17 Å²	17	26.2 Å²	26.2	11%	0.11	14%	0.136	C	C	.	.			trans	-54.9	159.1	177.5	-27.9	36.7	0	0	0	114	Y169 R262 M354 W357	Y169-P296 WeakPolarHBondContact CE2-O 3.25Å; Y169-P296 PolarHBondContact OH-O 2.96Å; Y169-P296 VanDerWaalsContact OH-O 3.11Å; R262-P296 PolarHBondContact NE-O 3.25Å; P296-M354 HydrophobicContact CG-CE 4.25Å; P296-W357 HydrophobicContact CG-CB 3.73Å; P296-W357 HydrophobicContact CG-CD2 4.28Å; P296-W357 HydrophobicContact CG-CG 3.83Å
297	G	92.1	Very high	95.8	Very high	11 Å²	11	24.7 Å²	24.7	11%	0.113	12%	0.12	C	C	.	.	S	Bend	trans	-81.9	-23.1	174	0	0	0	0	0	113.7	G299 L300	G297-G299 PolarHBondContact O-N 3Å; G297-L300 WeakPolarHBondContact O-CB 3.44Å; G297-L300 PolarHBondContact O-N 3.19Å
298	L	91.9	Very high	95.7	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.141	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-47.8	-168.2	176.6	65.7	0	0	0	113.8	L300 I344 T347 E348	L298-L300 PolarHBondContact O-N 3.48Å; L298-I344 HydrophobicContact CD1-CG1 4.48Å; L298-I344 HydrophobicContact CG-CG2 4.48Å; L298-I344 WeakPolarHBondContact O-CG1 3.39Å; L298-T347 HydrophobicContact CD1-CG2 3.99Å; L298-T347 HydrophobicContact CD2-CG2 3.46Å; L298-T347 VanDerWaalsContact CD2-CG2 3.46Å; L298-T347 HydrophobicContact CG-CG2 4.38Å; L298-E348 HydrophobicContact CD2-CG 3.88Å; L298-E348 WeakPolarHBondContact CD2-OE1 3.29Å
299	G	95.3	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16	-176.8	0	0	0	0	0	114.6	Y169 M170 G297	Y169-G299 VanDerWaalsContact CA-O 3.28Å; Y169-G299 WeakPolarHBondContact CA-O 3.22Å; M170-G299 PolarHBondContact N-O 2.89Å; M170-G299 VanDerWaalsContact O-CA 3.25Å; M170-G299 WeakPolarHBondContact O-CA 3.26Å; G297-G299 PolarHBondContact O-N 3Å
300	L	98.1	Very high	95.6	Very high	9 Å²	9	24 Å²	24	5%	0.047	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.5	-170.1	-171.5	66.3	0	0	0	111.8	V115 S116 Y167 Y169 I261 R262 G297 L298	V115-L300 HydrophobicContact CG1-CB 4.09Å; V115-L300 HydrophobicContact CG1-CD2 3.87Å; V115-L300 HydrophobicContact CG1-CG 3.91Å; V115-L300 WeakPolarHBondContact CG1-O 3.41Å; V115-L300 HydrophobicContact CG2-CB 4.28Å; V115-L300 HydrophobicContact CG2-CD2 4.01Å; S116-L300 PolarHBondContact N-O 3.18Å; S116-L300 VanDerWaalsContact N-O 3.12Å; Y167-L300 HydrophobicContact CD1-CD1 3.89Å; Y167-L300 HydrophobicContact CD1-CG 4.07Å; Y167-L300 HydrophobicContact CG-CD1 4.32Å; Y169-L300 HydrophobicContact CD2-CB 3.72Å; Y169-L300 HydrophobicContact CD2-CD1 4Å; Y169-L300 HydrophobicContact CD2-CG 4.46Å; Y169-L300 HydrophobicContact CE2-CB 4.06Å; I261-L300 HydrophobicContact CB-CD1 4.32Å; I261-L300 HydrophobicContact CD1-CD1 4.35Å; I261-L300 HydrophobicContact CG2-CD1 3.74Å; R262-L300 HydrophobicContact CG-CD2 4.23Å; G297-L300 WeakPolarHBondContact O-CB 3.44Å; G297-L300 PolarHBondContact O-N 3.19Å; L298-L300 PolarHBondContact O-N 3.48Å
301	V	98.6	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.1	176.7	-166.7	0	0	0	0	110.3	S116 A118 Y167 S168 E303 I340 I344	S116-V301 WeakPolarHBondContact O-CA 3.38Å; A118-V301 HydrophobicContact CB-CG1 4.27Å; Y167-V301 CarbonylContact C-O 3.56Å; Y167-V301 WeakPolarHBondContact CA-O 3.35Å; Y167-V301 WeakPolarHBondContact CB-O 3.49Å; Y167-V301 WeakPolarHBondContact CD1-O 3.35Å; S168-V301 PolarHBondContact N-O 2.97Å; S168-V301 PolarHBondContact O-N 2.81Å; S168-V301 WeakPolarHBondContact OG-CB 3.42Å; V301-E303 PolarHBondContact O-N 3.03Å; V301-I340 HydrophobicContact CG1-CD1 4.09Å; V301-I340 HydrophobicContact CG1-CG2 4.22Å; V301-I340 HydrophobicContact CG2-CG2 3.71Å; V301-I344 HydrophobicContact CG2-CD1 3.99Å
302	L	98.7	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	106.4	166	172.2	64.5	0	0	0	109.8	A109 T111 S116 A117 A118 G119 Q120 R165 Y167 V305	A109-L302 HydrophobicContact CB-CD2 3.53Å; T111-L302 HydrophobicContact CG2-CB 4.44Å; S116-L302 PolarHBondContact O-N 2.78Å; A117-L302 CarbonylContact C-O 3.59Å; A117-L302 WeakPolarHBondContact CA-O 3.38Å; A117-L302 HydrophobicContact CB-CB 3.8Å; A117-L302 HydrophobicContact CB-CD2 4.3Å; A117-L302 HydrophobicContact CB-CG 4.42Å; A118-L302 PolarHBondContact N-O 2.92Å; G119-L302 PolarHBondContact N-O 3.17Å; G119-L302 VanDerWaalsContact N-O 3.1Å; Q120-L302 HydrophobicContact CB-CD2 4.08Å; R165-L302 HydrophobicContact CB-CD1 4.12Å; R165-L302 HydrophobicContact CG-CD1 4.38Å; Y167-L302 HydrophobicContact CD1-CB 4.01Å; Y167-L302 HydrophobicContact CD1-CD1 4.38Å; Y167-L302 HydrophobicContact CD2-CD1 4.29Å; Y167-L302 HydrophobicContact CE1-CB 3.68Å; Y167-L302 HydrophobicContact CE1-CD1 3.99Å; Y167-L302 HydrophobicContact CE1-CG 4.39Å; Y167-L302 HydrophobicContact CE2-CD1 3.89Å; L302-V305 HydrophobicContact CD1-CG2 4.28Å; L302-V305 HydrophobicContact CD2-CG2 4.19Å
303	E	98.4	Very high	94.8	Very high	33 Å²	33	41.4 Å²	41.4	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-57.8	-177.5	-68.2	-66.7	167	0	0	112.3	G119 T166 S168 V301 K336	G119-E303 WeakPolarHBondContact CA-O 3.35Å; G119-E303 PolarHBondContact N-O 3.35Å; T166-E303 HydrophobicContact CG2-CB 4.23Å; T166-E303 PolarHBondContact O-N 3.26Å; S168-E303 WeakPolarHBondContact CB-OE1 3.48Å; S168-E303 WeakPolarHBondContact OG-CG 3.38Å; S168-E303 PolarHBondContact OG-OE1 3.31Å; V301-E303 PolarHBondContact O-N 3.03Å; E303-K336 WeakPolarHBondContact OE1-CE 3.49Å; E303-K336 IonicContact OE1-NZ 3.28Å; E303-K336 PolarHBondContact OE1-NZ 3.15Å; E303-K336 IonicContact OE2-NZ 3.74Å; E303-K336 PolarHBondContact OE2-NZ 3.45Å
304	K	98.2	Very high	94.1	Very high	67 Å²	67	43.3 Å²	43.3	29%	0.291	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.9	-174.7	-174.1	165.4	-180	170.5	0	112.6	R165 T166 E324	R165-K304 CarbonylContact C-O 3.59Å; R165-K304 WeakPolarHBondContact CA-O 2.98Å; T166-K304 PolarHBondContact N-O 2.87Å; T166-K304 PolarHBondContact O-N 2.93Å; K304-E324 WeakPolarHBondContact CE-OE2 3.25Å; K304-E324 IonicContact NZ-OE2 2.78Å; K304-E324 PolarHBondContact NZ-OE2 3.44Å
305	V	98.1	Very high	93.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127	167.1	173.4	0	0	0	0	107.9	C108 G119 V121 C162 L302 F307	C108-V305 HydrophobicContact CB-CB 4.43Å; C108-V305 HydrophobicContact CB-CG1 3.68Å; C108-V305 HydrophobicContact CB-CG2 3.81Å; C108-V305 VanDerWaalsContact SG-CG1 3.59Å; G119-V305 WeakPolarHBondContact O-CG2 3.49Å; V121-V305 HydrophobicContact CB-CB 4.25Å; V121-V305 HydrophobicContact CB-CG1 4.19Å; V121-V305 HydrophobicContact CB-CG2 4.31Å; V121-V305 HydrophobicContact CG2-CB 3.88Å; V121-V305 HydrophobicContact CG2-CG1 4.25Å; V121-V305 HydrophobicContact CG2-CG2 4.17Å; C162-V305 HydrophobicContact CB-CG1 4Å; C162-V305 WeakPolarHBondContact SG-CG1 3.45Å; L302-V305 HydrophobicContact CD1-CG2 4.28Å; L302-V305 HydrophobicContact CD2-CG2 4.19Å; V305-F307 HydrophobicContact CB-CE2 4.24Å; V305-F307 HydrophobicContact CG1-CD2 4.18Å; V305-F307 HydrophobicContact CG1-CE1 4.38Å; V305-F307 HydrophobicContact CG1-CE2 3.42Å; V305-F307 VanDerWaalsContact CG1-CE2 3.42Å; V305-F307 HydrophobicContact CG1-CZ 3.54Å
306	H	97.6	Very high	92.4	Very high	16 Å²	16	47.6 Å²	47.6	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138	-173.7	-59.7	-104.2	0	0	0	111.3	C162 D163 A164 T166 R252	C162-H306 WeakPolarHBondContact CA-O 3.45Å; D163-H306 PolarHBondContact N-O 3.18Å; A164-H306 HydrophobicContact CB-CB 4.02Å; A164-H306 WeakPolarHBondContact O-CB 3.17Å; A164-H306 PolarHBondContact O-CD2 2.8Å; A164-H306 PolarHBondContact O-N 2.97Å; T166-H306 PolarHBondContact OG1-NE2 3.25Å; R252-H306 PolarHBondContact NE-CE1 3.16Å; R252-H306 VanDerWaalsContact NE-CE1 3.35Å; R252-H306 PolarHBondContact NH2-ND1 2.9Å
307	F	96.3	Very high	91.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.			trans	-128	26	-175.8	-70.8	-73.9	0	0	0	112.5	V121 F156 S161 C162 V305 R309 Y310 N311 L323	V121-F307 HydrophobicContact CB-CE2 4.26Å; V121-F307 HydrophobicContact CB-CZ 4.35Å; V121-F307 HydrophobicContact CG1-CE2 3.87Å; V121-F307 HydrophobicContact CG1-CZ 3.81Å; V121-F307 HydrophobicContact CG2-CE2 4.23Å; F156-F307 HydrophobicContact CZ-CD1 4.24Å; F156-F307 AromaticContact CZ-CE1 3.83Å; F156-F307 HydrophobicContact CZ-CE1 3.83Å; F156-F307 HydrophobicContact CZ-CZ 4.44Å; S161-F307 WeakPolarHBondContact O-CD1 3.48Å; C162-F307 HydrophobicContact CB-CD1 4.43Å; C162-F307 HydrophobicContact CB-CE1 3.89Å; C162-F307 HydrophobicContact CB-CZ 4.34Å; V305-F307 HydrophobicContact CB-CE2 4.24Å; V305-F307 HydrophobicContact CG1-CD2 4.18Å; V305-F307 HydrophobicContact CG1-CE1 4.38Å; V305-F307 HydrophobicContact CG1-CE2 3.42Å; V305-F307 VanDerWaalsContact CG1-CE2 3.42Å; V305-F307 HydrophobicContact CG1-CZ 3.54Å; F307-R309 PolarHBondContact O-N 3.21Å; F307-Y310 WeakPolarHBondContact O-CA 3.3Å; F307-Y310 WeakPolarHBondContact O-CB 3.49Å; F307-Y310 PolarHBondContact O-N 3.48Å; F307-N311 PolarHBondContact O-N 2.95Å; F307-L323 HydrophobicContact CB-CB 4.01Å; F307-L323 HydrophobicContact CD1-CD1 4.16Å; F307-L323 HydrophobicContact CD2-CB 3.79Å; F307-L323 HydrophobicContact CD2-CD1 4.27Å; F307-L323 HydrophobicContact CE1-CD1 4.39Å; F307-L323 HydrophobicContact CE2-CB 4.47Å; F307-L323 HydrophobicContact CE2-CD1 4.48Å; F307-L323 HydrophobicContact CG-CB 3.99Å; F307-L323 HydrophobicContact CG-CD1 4.1Å
308	D	93	Very high	91.1	Very high	74 Å²	74	53.8 Å²	53.8	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-42.3	-43.8	-174.9	-51.2	-0.7	0	0	0	113.6	D163 R252 K312	D163-D308 PolarHBondContact OD2-N 3.18Å; R252-D308 IonicContact NH2-OD2 3.41Å; R252-D308 PolarHBondContact NH2-OD2 3.48Å; R252-D308 VanDerWaalsContact NH2-OD2 3.15Å; D308-K312 VanDerWaalsContact O-CB 3.3Å; D308-K312 WeakPolarHBondContact O-CB 3.44Å; D308-K312 PolarHBondContact O-N 3.18Å
309	R	91.2	Very high	90.4	Very high	174 Å²	174	59.2 Å²	59.2	66%	0.657	32%	0.319	S	S	*	.	H	α-helix	trans	-76.1	-34.1	179.3	-63.8	-175	-161.6	151.5	0.8	113.3	D163 F307 R313	D163-R309 WeakPolarHBondContact OD1-CD 3.37Å; D163-R309 WeakPolarHBondContact OD1-CG 3.39Å; D163-R309 IonicContact OD1-CZ 3.74Å; D163-R309 IonicContact OD1-NE 2.88Å; D163-R309 PolarHBondContact OD1-NE 3.24Å; D163-R309 VanDerWaalsContact OD1-NE 3.13Å; D163-R309 IonicContact OD1-NH1 2.81Å; D163-R309 PolarHBondContact OD1-NH1 3.22Å; D163-R309 WeakPolarHBondContact OD2-CB 3.33Å; D163-R309 PolarHBondContact OD2-N 2.83Å; F307-R309 PolarHBondContact O-N 3.21Å; R309-R313 WeakPolarHBondContact O-CB 3.48Å; R309-R313 PolarHBondContact O-N 3.29Å
310	Y	90.9	Very high	89.7	Confident	10 Å²	10	61.5 Å²	61.5	4%	0.039	33%	0.329	C	S	.	.	H	α-helix	trans	-67.1	-47.7	172.4	170.3	-84.5	0	0	0	109.8	F156 F307 K312 R313 F314 L323	F156-Y310 AromaticContact CD2-CD2 3.72Å; F156-Y310 HydrophobicContact CD2-CD2 3.72Å; F156-Y310 AromaticContact CD2-CE2 3.58Å; F156-Y310 HydrophobicContact CD2-CE2 3.58Å; F156-Y310 AromaticContact CE2-CD2 3.46Å; F156-Y310 HydrophobicContact CE2-CD2 3.46Å; F156-Y310 VanDerWaalsContact CE2-CD2 3.46Å; F156-Y310 AromaticContact CE2-CE2 3.67Å; F156-Y310 HydrophobicContact CE2-CE2 3.67Å; F156-Y310 HydrophobicContact CE2-CG 4.03Å; F307-Y310 WeakPolarHBondContact O-CA 3.3Å; F307-Y310 WeakPolarHBondContact O-CB 3.49Å; F307-Y310 PolarHBondContact O-N 3.48Å; Y310-K312 VanDerWaalsContact C-N 3.35Å; Y310-K312 PolarHBondContact O-N 3.09Å; Y310-R313 PolarHBondContact O-N 3.45Å; Y310-F314 AromaticContact CD2-CD2 3.37Å; Y310-F314 HydrophobicContact CD2-CD2 3.37Å; Y310-F314 AromaticContact CD2-CE2 3.76Å; Y310-F314 HydrophobicContact CD2-CE2 3.76Å; Y310-F314 HydrophobicContact CD2-CG 4.36Å; Y310-F314 HydrophobicContact CE1-CB 4.38Å; Y310-F314 HydrophobicContact CE2-CB 4.33Å; Y310-F314 AromaticContact CE2-CD2 3.41Å; Y310-F314 HydrophobicContact CE2-CD2 3.41Å; Y310-F314 VanDerWaalsContact CE2-CD2 3.41Å; Y310-F314 AromaticContact CE2-CE2 3.89Å; Y310-F314 HydrophobicContact CE2-CE2 3.89Å; Y310-F314 HydrophobicContact CE2-CG 4.03Å; Y310-F314 HydrophobicContact CG-CD2 4.03Å; Y310-F314 PolarHBondContact O-N 2.89Å; Y310-L323 HydrophobicContact CD1-CB 4.26Å; Y310-L323 HydrophobicContact CD1-CD1 3.75Å; Y310-L323 HydrophobicContact CD1-CG 3.89Å; Y310-L323 HydrophobicContact CE1-CB 4.34Å; Y310-L323 HydrophobicContact CE1-CD1 3.72Å; Y310-L323 HydrophobicContact CE1-CG 3.59Å; Y310-L323 HydrophobicContact CG-CD1 4.27Å
311	N	92	Very high	89	Confident	20 Å²	20	64.8 Å²	64.8	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-43.3	178.9	-68.2	-16.1	0	0	0	111	F307 R313 G315 C322 L323 E324	F307-N311 PolarHBondContact O-N 2.95Å; N311-R313 VanDerWaalsContact C-N 3.29Å; N311-R313 PolarHBondContact O-N 2.85Å; N311-G315 WeakPolarHBondContact O-CA 3.44Å; N311-G315 PolarHBondContact O-N 3.46Å; N311-C322 WeakPolarHBondContact OD1-CA 3.44Å; N311-L323 PolarHBondContact OD1-N 2.68Å; N311-E324 PolarHBondContact ND2-OE1 3.22Å
312	K	89.9	Confident	88.6	Confident	193 Å²	193	67.1 Å²	67.1	84%	0.839	36%	0.361	S	S	*	.	H	α-helix	trans	-62.9	-29.5	173.2	-175.7	170.9	-178.2	174.5	0	114.2	D308 Y310	D308-K312 VanDerWaalsContact O-CB 3.3Å; D308-K312 WeakPolarHBondContact O-CB 3.44Å; D308-K312 PolarHBondContact O-N 3.18Å; Y310-K312 VanDerWaalsContact C-N 3.35Å; Y310-K312 PolarHBondContact O-N 3.09Å
313	R	86	Confident	88.3	Confident	193 Å²	193	67.2 Å²	67.2	73%	0.728	36%	0.361	S	S	*	.	H	α-helix	trans	-86.8	-36.9	-177.1	179.7	173.3	176.2	173.9	2.3	113.5	R309 Y310 N311	R309-R313 WeakPolarHBondContact O-CB 3.48Å; R309-R313 PolarHBondContact O-N 3.29Å; Y310-R313 PolarHBondContact O-N 3.45Å; N311-R313 VanDerWaalsContact C-N 3.29Å; N311-R313 PolarHBondContact O-N 2.85Å
314	F	82.4	Confident	88.1	Confident	40 Å²	40	68.1 Å²	68.1	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-117.3	-24	-169.4	-66.5	-74.1	0	0	0	113.5	Y310 G316 D317 H320	Y310-F314 AromaticContact CD2-CD2 3.37Å; Y310-F314 HydrophobicContact CD2-CD2 3.37Å; Y310-F314 AromaticContact CD2-CE2 3.76Å; Y310-F314 HydrophobicContact CD2-CE2 3.76Å; Y310-F314 HydrophobicContact CD2-CG 4.36Å; Y310-F314 HydrophobicContact CE1-CB 4.38Å; Y310-F314 HydrophobicContact CE2-CB 4.33Å; Y310-F314 AromaticContact CE2-CD2 3.41Å; Y310-F314 HydrophobicContact CE2-CD2 3.41Å; Y310-F314 VanDerWaalsContact CE2-CD2 3.41Å; Y310-F314 AromaticContact CE2-CE2 3.89Å; Y310-F314 HydrophobicContact CE2-CE2 3.89Å; Y310-F314 HydrophobicContact CE2-CG 4.03Å; Y310-F314 HydrophobicContact CG-CD2 4.03Å; Y310-F314 PolarHBondContact O-N 2.89Å; F314-G316 PolarHBondContact O-N 3.22Å; F314-D317 PolarHBondContact O-N 3.33Å; F314-H320 HydrophobicContact CB-CB 3.96Å; F314-H320 AromaticContact CD1-ND1 3.79Å
315	G	78.6	Confident	87.9	Confident	33 Å²	33	65.5 Å²	65.5	34%	0.34	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.4	-173.8	0	0	0	0	0	116.4	N311 C322	N311-G315 WeakPolarHBondContact O-CA 3.44Å; N311-G315 PolarHBondContact O-N 3.46Å; G315-C322 WeakPolarHBondContact CA-SG 3.38Å
316	G	79.6	Confident	87.8	Confident	80 Å²	80	69.6 Å²	69.6	83%	0.825	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	5.8	177.9	0	0	0	0	0	114.7	F314	F314-G316 PolarHBondContact O-N 3.22Å
317	D	81.8	Confident	87.7	Confident	72 Å²	72	76.7 Å²	76.7	39%	0.385	41%	0.412	S	S	.	.	S	Bend	trans	-90.1	-2.9	-174.4	71.6	23.5	0	0	0	114.9	F314 L319 H320	F314-D317 PolarHBondContact O-N 3.33Å; D317-L319 PolarHBondContact O-N 2.61Å; D317-L319 WeakPolarHBondContact OD1-CA 3.48Å; D317-L319 WeakPolarHBondContact OD1-CB 3.18Å; D317-L319 PolarHBondContact OD1-N 2.8Å; D317-H320 VanDerWaalsContact CG-ND1 3.32Å; D317-H320 IonicContact OD1-CG 2.73Å; D317-H320 PolarHBondContact OD1-N 2.88Å; D317-H320 IonicContact OD1-ND1 3.29Å; D317-H320 PolarHBondContact OD1-ND1 2.79Å; D317-H320 IonicContact OD2-CE1 3.46Å; D317-H320 IonicContact OD2-CG 2.7Å; D317-H320 IonicContact OD2-ND1 3.43Å; D317-H320 PolarHBondContact OD2-ND1 3.17Å
318	G	76.8	Confident	87.7	Confident	86 Å²	86	77.9 Å²	77.9	89%	0.887	42%	0.417	S	S	*	.	S	Bend	trans	70.8	2.1	178.6	0	0	0	0	0	115
319	L	76.4	Confident	87.9	Confident	141 Å²	141	79.1 Å²	79.1	74%	0.738	42%	0.421	S	S	*	.	S	Bend	trans	-117.1	-29.5	-178.3	-175.4	63.5	0	0	0	112.5	D317	D317-L319 PolarHBondContact O-N 2.61Å; D317-L319 WeakPolarHBondContact OD1-CA 3.48Å; D317-L319 WeakPolarHBondContact OD1-CB 3.18Å; D317-L319 PolarHBondContact OD1-N 2.8Å
320	H	80.4	Confident	88.2	Confident	47 Å²	47	77.8 Å²	77.8	22%	0.218	42%	0.422	C	S	.	.	S	Bend	trans	-114.3	138.1	-177.4	-56.7	100.6	0	0	0	112.8	T153 F314 D317	T153-H320 WeakPolarHBondContact CG2-NE2 3.28Å; F314-H320 HydrophobicContact CB-CB 3.96Å; F314-H320 AromaticContact CD1-ND1 3.79Å; D317-H320 VanDerWaalsContact CG-ND1 3.32Å; D317-H320 IonicContact OD1-CG 2.73Å; D317-H320 PolarHBondContact OD1-N 2.88Å; D317-H320 IonicContact OD1-ND1 3.29Å; D317-H320 PolarHBondContact OD1-ND1 2.79Å; D317-H320 IonicContact OD2-CE1 3.46Å; D317-H320 IonicContact OD2-CG 2.7Å; D317-H320 IonicContact OD2-ND1 3.43Å; D317-H320 PolarHBondContact OD2-ND1 3.17Å
321	E	83.8	Confident	88.6	Confident	79 Å²	79	79.4 Å²	79.4	37%	0.369	44%	0.438	S	S	.	.			trans	-76.4	141.1	174.6	-66.8	154.2	-147.5	0	0	110.9	R151	R151-E321 IonicContact NH2-OE1 3.15Å
322	C	91.2	Very high	88.9	Confident	49 Å²	49	79.8 Å²	79.8	33%	0.331	44%	0.439	S	S	.	.			trans	-63.5	138.5	165.7	-72.7	0	0	0	0	110.8	N311 G315 E324	N311-C322 WeakPolarHBondContact OD1-CA 3.44Å; G315-C322 WeakPolarHBondContact CA-SG 3.38Å; C322-E324 PolarHBondContact O-N 3.45Å; C322-E324 VanDerWaalsContact O-N 3.09Å
323	L	92.8	Very high	89.2	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.01	42%	0.42	C	S	.	.			trans	-86.3	55.3	170.5	-63.6	176.6	0	0	0	110.6	V53 K150 V152 F156 F307 Y310 N311 W325	V53-L323 HydrophobicContact CB-CD2 4.07Å; V53-L323 HydrophobicContact CG1-CD2 4.21Å; V53-L323 HydrophobicContact CG2-CD1 4.29Å; V53-L323 HydrophobicContact CG2-CD2 4.03Å; K150-L323 HydrophobicContact CB-CD2 4.16Å; V152-L323 HydrophobicContact CG1-CD1 4.41Å; V152-L323 HydrophobicContact CG1-CD2 4.05Å; F156-L323 HydrophobicContact CE1-CD1 4Å; F156-L323 HydrophobicContact CE2-CD1 3.67Å; F156-L323 HydrophobicContact CZ-CD1 3.27Å; F307-L323 HydrophobicContact CB-CB 4.01Å; F307-L323 HydrophobicContact CD1-CD1 4.16Å; F307-L323 HydrophobicContact CD2-CB 3.79Å; F307-L323 HydrophobicContact CD2-CD1 4.27Å; F307-L323 HydrophobicContact CE1-CD1 4.39Å; F307-L323 HydrophobicContact CE2-CB 4.47Å; F307-L323 HydrophobicContact CE2-CD1 4.48Å; F307-L323 HydrophobicContact CG-CB 3.99Å; F307-L323 HydrophobicContact CG-CD1 4.1Å; Y310-L323 HydrophobicContact CD1-CB 4.26Å; Y310-L323 HydrophobicContact CD1-CD1 3.75Å; Y310-L323 HydrophobicContact CD1-CG 3.89Å; Y310-L323 HydrophobicContact CE1-CB 4.34Å; Y310-L323 HydrophobicContact CE1-CD1 3.72Å; Y310-L323 HydrophobicContact CE1-CG 3.59Å; Y310-L323 HydrophobicContact CG-CD1 4.27Å; N311-L323 PolarHBondContact OD1-N 2.68Å; L323-W325 HydrophobicContact CD2-CZ2 4.39Å
324	E	92.4	Very high	89.8	Confident	52 Å²	52	67.9 Å²	67.9	24%	0.243	41%	0.407	C	S	.	.			trans	-103.6	156.6	160.2	-65.5	-57.3	150.1	0	0	109	K150 K304 N311 C322	K150-E324 PolarHBondContact NZ-O 3.38Å; K304-E324 WeakPolarHBondContact CE-OE2 3.25Å; K304-E324 IonicContact NZ-OE2 2.78Å; K304-E324 PolarHBondContact NZ-OE2 3.44Å; N311-E324 PolarHBondContact ND2-OE1 3.22Å; C322-E324 PolarHBondContact O-N 3.45Å; C322-E324 VanDerWaalsContact O-N 3.09Å
325	W	95.6	Very high	90.6	Very high	12 Å²	12	66.5 Å²	66.5	5%	0.045	40%	0.4	C	S	.	.			trans	-126.2	39.5	-173.7	-53.6	105	0	0	0	111.9	V53 L55 K150 L323 E327 E328 E329	V53-W325 HydrophobicContact CG1-CH2 4.13Å; V53-W325 HydrophobicContact CG1-CZ2 3.8Å; L55-W325 HydrophobicContact CB-CD2 3.93Å; L55-W325 HydrophobicContact CB-CE3 3.9Å; L55-W325 HydrophobicContact CB-CH2 4.04Å; L55-W325 HydrophobicContact CB-CZ2 4.08Å; L55-W325 HydrophobicContact CB-CZ3 3.95Å; L55-W325 HydrophobicContact CD1-CD2 4.27Å; L55-W325 HydrophobicContact CD1-CG 4.14Å; L55-W325 HydrophobicContact CD2-CB 3.93Å; L55-W325 HydrophobicContact CD2-CD2 3.91Å; L55-W325 HydrophobicContact CD2-CE3 4.01Å; L55-W325 HydrophobicContact CD2-CG 3.88Å; L55-W325 HydrophobicContact CG-CD2 4.26Å; L55-W325 HydrophobicContact CG-CG 4.43Å; K150-W325 HydrophobicContact CB-CH2 4.17Å; K150-W325 HydrophobicContact CB-CZ3 4.44Å; K150-W325 HydrophobicContact CD-CE3 4.29Å; K150-W325 HydrophobicContact CD-CH2 4.1Å; K150-W325 HydrophobicContact CD-CZ3 3.8Å; K150-W325 HydrophobicContact CG-CH2 3.96Å; K150-W325 HydrophobicContact CG-CZ3 3.75Å; L323-W325 HydrophobicContact CD2-CZ2 4.39Å; W325-E327 VanDerWaalsContact C-N 3.3Å; W325-E327 PolarHBondContact O-N 3.09Å; W325-E328 WeakPolarHBondContact CA-OE2 3.36Å; W325-E328 HydrophobicContact CB-CB 4.39Å; W325-E328 PolarHBondContact O-N 3.41Å; W325-E329 PolarHBondContact O-N 3.2Å
326	T	94.6	Very high	91.5	Very high	88 Å²	88	65.8 Å²	65.8	54%	0.54	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.5	-174.5	46.7	0	0	0	0	113.2	E328	T326-E328 VanDerWaalsContact C-N 3.34Å
327	E	95.8	Very high	92.4	Very high	166 Å²	166	65.6 Å²	65.6	78%	0.776	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-30	176	-67.7	171.4	-155.1	0	0	110.8	W325	W325-E327 VanDerWaalsContact C-N 3.3Å; W325-E327 PolarHBondContact O-N 3.09Å
328	E	97.4	Very high	93.1	Very high	24 Å²	24	68.5 Å²	68.5	11%	0.112	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.3	-179.9	-59.1	87.1	162	0	0	114.2	L55 L147 W325 T326 Q330 A331 I332	L55-E328 HydrophobicContact CD2-CB 3.82Å; L55-E328 HydrophobicContact CD2-CG 4.13Å; L147-E328 WeakPolarHBondContact O-CG 3.31Å; W325-E328 WeakPolarHBondContact CA-OE2 3.36Å; W325-E328 HydrophobicContact CB-CB 4.39Å; W325-E328 PolarHBondContact O-N 3.41Å; T326-E328 VanDerWaalsContact C-N 3.34Å; E328-Q330 VanDerWaalsContact C-N 3.28Å; E328-Q330 PolarHBondContact O-N 2.92Å; E328-Q330 VanDerWaalsContact O-N 3.17Å; E328-A331 WeakPolarHBondContact O-CA 3.22Å; E328-A331 WeakPolarHBondContact O-CB 3.4Å; E328-A331 PolarHBondContact O-N 3.31Å; E328-I332 HydrophobicContact CB-CD1 4.46Å; E328-I332 WeakPolarHBondContact O-CG1 3.29Å; E328-I332 PolarHBondContact O-N 2.89Å
329	E	96.6	Very high	94	Very high	101 Å²	101	66.2 Å²	66.2	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-53.3	-40.2	-174.9	-80.6	-179.6	-172.4	0	0	113.8	W325 I332 L333	W325-E329 PolarHBondContact O-N 3.2Å; E329-I332 PolarHBondContact O-N 3.14Å; E329-L333 WeakPolarHBondContact O-CB 3.44Å; E329-L333 PolarHBondContact O-N 2.94Å
330	Q	97.7	Very high	95	Very high	145 Å²	145	59.5 Å²	59.5	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-68.7	-35.6	177.1	-63.6	-58.8	-43.9	0	0	112.3	E328 L333 A334	E328-Q330 VanDerWaalsContact C-N 3.28Å; E328-Q330 PolarHBondContact O-N 2.92Å; E328-Q330 VanDerWaalsContact O-N 3.17Å; Q330-L333 PolarHBondContact O-N 2.86Å; Q330-A334 WeakPolarHBondContact O-CB 3.04Å; Q330-A334 PolarHBondContact O-N 3.13Å
331	A	98.1	Very high	95.8	Very high	45 Å²	45	58 Å²	58	37%	0.372	30%	0.301	S	S	.	.	H	α-helix	trans	-72.3	-35.9	176.1	0	0	0	0	0	111.8	L147 E328 F335	L147-A331 HydrophobicContact CD2-CB 4.33Å; E328-A331 WeakPolarHBondContact O-CA 3.22Å; E328-A331 WeakPolarHBondContact O-CB 3.4Å; E328-A331 PolarHBondContact O-N 3.31Å; A331-F335 VanDerWaalsContact O-CB 3.31Å; A331-F335 WeakPolarHBondContact O-CB 3.47Å; A331-F335 PolarHBondContact O-N 3.26Å
332	I	98.3	Very high	96.3	Very high	27 Å²	27	56.3 Å²	56.3	14%	0.138	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-48.8	171.6	-62.7	168.2	0	0	0	109.9	L55 A118 L147 E328 E329 F335 K336	L55-I332 HydrophobicContact CD2-CD1 3.96Å; L55-I332 HydrophobicContact CD2-CG1 4.18Å; A118-I332 HydrophobicContact CB-CG2 3.81Å; L147-I332 HydrophobicContact CD1-CB 4.31Å; L147-I332 HydrophobicContact CD1-CG1 3.69Å; E328-I332 HydrophobicContact CB-CD1 4.46Å; E328-I332 WeakPolarHBondContact O-CG1 3.29Å; E328-I332 PolarHBondContact O-N 2.89Å; E329-I332 PolarHBondContact O-N 3.14Å; I332-F335 PolarHBondContact O-N 3.26Å; I332-K336 HydrophobicContact CG2-CD 4.37Å; I332-K336 WeakPolarHBondContact O-CG 3.48Å; I332-K336 PolarHBondContact O-N 3.04Å
333	L	98	Very high	96.4	Very high	82 Å²	82	55.1 Å²	55.1	43%	0.429	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-46.3	179.4	-179.7	60.6	0	0	0	112.1	E329 Q330 F335 K336 E337	E329-L333 WeakPolarHBondContact O-CB 3.44Å; E329-L333 PolarHBondContact O-N 2.94Å; Q330-L333 PolarHBondContact O-N 2.86Å; L333-F335 VanDerWaalsContact C-N 3.34Å; L333-F335 PolarHBondContact O-N 2.96Å; L333-K336 WeakPolarHBondContact O-CB 3.46Å; L333-K336 PolarHBondContact O-N 2.9Å; L333-E337 HydrophobicContact CD1-CG 4.39Å; L333-E337 PolarHBondContact O-N 2.9Å
334	A	98.3	Very high	96.5	Very high	55 Å²	55	55 Å²	55	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-46.2	175.8	0	0	0	0	0	111.6	Q330 K336 E337 E338	Q330-A334 WeakPolarHBondContact O-CB 3.04Å; Q330-A334 PolarHBondContact O-N 3.13Å; A334-K336 VanDerWaalsContact C-N 3.33Å; A334-K336 PolarHBondContact O-N 2.93Å; A334-E337 PolarHBondContact O-N 2.62Å; A334-E338 WeakPolarHBondContact O-CB 3.28Å; A334-E338 PolarHBondContact O-N 3.3Å
335	F	98.4	Very high	96.6	Very high	10 Å²	10	53.3 Å²	53.3	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-39.4	176.8	-173	-80.6	0	0	0	112.6	A57 R145 A331 I332 L333 H339 I340	A57-F335 HydrophobicContact CB-CB 4.45Å; A57-F335 HydrophobicContact CB-CD1 3.42Å; A57-F335 VanDerWaalsContact CB-CD1 3.42Å; A57-F335 HydrophobicContact CB-CD2 4.17Å; A57-F335 HydrophobicContact CB-CE1 3.64Å; A57-F335 HydrophobicContact CB-CE2 4.35Å; A57-F335 HydrophobicContact CB-CG 3.73Å; A57-F335 HydrophobicContact CB-CZ 4.12Å; R145-F335 HydrophobicContact CB-CD2 4Å; R145-F335 HydrophobicContact CB-CE2 3.88Å; R145-F335 HydrophobicContact CG-CD2 3.78Å; R145-F335 HydrophobicContact CG-CE2 3.57Å; A331-F335 VanDerWaalsContact O-CB 3.31Å; A331-F335 WeakPolarHBondContact O-CB 3.47Å; A331-F335 PolarHBondContact O-N 3.26Å; I332-F335 PolarHBondContact O-N 3.26Å; L333-F335 VanDerWaalsContact C-N 3.34Å; L333-F335 PolarHBondContact O-N 2.96Å; F335-H339 HydrophobicContact CD1-CB 4.48Å; F335-H339 AromaticContact CD2-CD2 3.58Å; F335-H339 HydrophobicContact CE1-CB 4.07Å; F335-H339 HydrophobicContact CE2-CB 4.38Å; F335-H339 AromaticContact CE2-CD2 3.4Å; F335-H339 WeakPolarHBondContact CE2-CD2 3.33Å; F335-H339 HydrophobicContact CZ-CB 4Å; F335-H339 AromaticContact CZ-CD2 3.9Å; F335-H339 PolarHBondContact O-N 3.03Å; F335-I340 HydrophobicContact CD1-CD1 3.93Å; F335-I340 HydrophobicContact CD1-CG1 4.06Å; F335-I340 HydrophobicContact CE1-CD1 3.87Å; F335-I340 HydrophobicContact CE1-CG1 3.8Å
336	K	98.2	Very high	96.5	Very high	19 Å²	19	57.3 Å²	57.3	8%	0.083	30%	0.3	C	S	.	.	I	π-helix	trans	-61.1	-49.3	175.8	-76.3	176.5	60.8	167.1	0	111.5	A118 E303 I332 L333 A334 I340 Y341	A118-K336 HydrophobicContact CB-CD 3.63Å; A118-K336 HydrophobicContact CB-CG 3.61Å; E303-K336 WeakPolarHBondContact OE1-CE 3.49Å; E303-K336 IonicContact OE1-NZ 3.28Å; E303-K336 PolarHBondContact OE1-NZ 3.15Å; E303-K336 IonicContact OE2-NZ 3.74Å; E303-K336 PolarHBondContact OE2-NZ 3.45Å; I332-K336 HydrophobicContact CG2-CD 4.37Å; I332-K336 WeakPolarHBondContact O-CG 3.48Å; I332-K336 PolarHBondContact O-N 3.04Å; L333-K336 WeakPolarHBondContact O-CB 3.46Å; L333-K336 PolarHBondContact O-N 2.9Å; A334-K336 VanDerWaalsContact C-N 3.33Å; A334-K336 PolarHBondContact O-N 2.93Å; K336-I340 HydrophobicContact CG-CD1 4.21Å; K336-I340 PolarHBondContact O-N 3.4Å; K336-I340 VanDerWaalsContact O-N 3.13Å; K336-Y341 HydrophobicContact CB-CD2 4.3Å; K336-Y341 HydrophobicContact CB-CE2 4.17Å; K336-Y341 WeakPolarHBondContact CE-OH 3.33Å; K336-Y341 PolarHBondContact NZ-OH 3.44Å; K336-Y341 PolarHBondContact O-N 3.19Å
337	E	97.1	Very high	96.4	Very high	76 Å²	76	53.5 Å²	53.5	36%	0.355	28%	0.277	S	S	.	.	I	π-helix	trans	-69.3	-31.5	-179.4	-70.4	-65.1	167.6	0	0	113.3	R241 L333 A334 Y341 P342	R241-E337 IonicContact CZ-OE1 3.68Å; R241-E337 IonicContact CZ-OE2 3.42Å; R241-E337 IonicContact NH1-OE1 3.13Å; R241-E337 IonicContact NH1-OE2 3.92Å; R241-E337 PolarHBondContact NH1-OE2 3.45Å; R241-E337 IonicContact NH2-OE1 2.76Å; R241-E337 PolarHBondContact NH2-OE1 2.9Å; R241-E337 IonicContact NH2-OE2 3.24Å; R241-E337 PolarHBondContact NH2-OE2 2.81Å; L333-E337 HydrophobicContact CD1-CG 4.39Å; L333-E337 PolarHBondContact O-N 2.9Å; A334-E337 PolarHBondContact O-N 2.62Å; E337-Y341 HydrophobicContact CG-CD2 4.41Å; E337-P342 WeakPolarHBondContact O-CD 3.35Å; E337-P342 WeakPolarHBondContact O-CG 3.38Å
338	E	97	Very high	96.3	Very high	133 Å²	133	46.3 Å²	46.3	62%	0.621	24%	0.243	S	C	*	.	I	π-helix	trans	-84.6	-36	-179.5	-162.9	-176.7	154.4	0	0	113.5	A334	A334-E338 WeakPolarHBondContact O-CB 3.28Å; A334-E338 PolarHBondContact O-N 3.3Å
339	H	96.6	Very high	95.9	Very high	38 Å²	38	48.3 Å²	48.3	18%	0.176	26%	0.259	C	S	.	.	I	π-helix	trans	-127.4	-25.9	-165.9	-60.7	-40.3	0	0	0	116.1	S59 F335	S59-H339 WeakPolarHBondContact CB-O 3.3Å; S59-H339 PolarHBondContact OG-O 3.27Å; F335-H339 HydrophobicContact CD1-CB 4.48Å; F335-H339 AromaticContact CD2-CD2 3.58Å; F335-H339 HydrophobicContact CE1-CB 4.07Å; F335-H339 HydrophobicContact CE2-CB 4.38Å; F335-H339 AromaticContact CE2-CD2 3.4Å; F335-H339 WeakPolarHBondContact CE2-CD2 3.33Å; F335-H339 HydrophobicContact CZ-CB 4Å; F335-H339 AromaticContact CZ-CD2 3.9Å; F335-H339 PolarHBondContact O-N 3.03Å
340	I	97.2	Very high	95.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-96	-60.8	-177.3	-59	-179.5	0	0	0	110.3	A117 A118 V301 F335 K336 S343 I344	A117-I340 WeakPolarHBondContact O-CD1 3.29Å; A118-I340 HydrophobicContact CB-CD1 4.33Å; V301-I340 HydrophobicContact CG1-CD1 4.09Å; V301-I340 HydrophobicContact CG1-CG2 4.22Å; V301-I340 HydrophobicContact CG2-CG2 3.71Å; F335-I340 HydrophobicContact CD1-CD1 3.93Å; F335-I340 HydrophobicContact CD1-CG1 4.06Å; F335-I340 HydrophobicContact CE1-CD1 3.87Å; F335-I340 HydrophobicContact CE1-CG1 3.8Å; K336-I340 HydrophobicContact CG-CD1 4.21Å; K336-I340 PolarHBondContact O-N 3.4Å; K336-I340 VanDerWaalsContact O-N 3.13Å; I340-S343 WeakPolarHBondContact O-CB 3.25Å; I340-S343 PolarHBondContact O-N 2.94Å; I340-I344 HydrophobicContact CG2-CD1 3.95Å; I340-I344 WeakPolarHBondContact O-CG1 3.2Å; I340-I344 PolarHBondContact O-N 2.72Å; I340-I344 VanDerWaalsContact O-N 3.09Å
341	Y	96.3	Very high	95.3	Very high	16 Å²	16	49.5 Å²	49.5	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-41.6	-175.1	-64.6	-26.9	0	0	0	113.9	M170 E248 K336 E337 S343 I344 V345	M170-Y341 HydrophobicContact CE-CD1 3.23Å; M170-Y341 HydrophobicContact CE-CD2 4.28Å; M170-Y341 HydrophobicContact CE-CE1 3.25Å; M170-Y341 HydrophobicContact CE-CE2 4.31Å; M170-Y341 HydrophobicContact CE-CG 3.73Å; M170-Y341 HydrophobicContact SD-CD1 4.3Å; E248-Y341 PolarHBondContact OE2-OH 3.08Å; K336-Y341 HydrophobicContact CB-CD2 4.3Å; K336-Y341 HydrophobicContact CB-CE2 4.17Å; K336-Y341 WeakPolarHBondContact CE-OH 3.33Å; K336-Y341 PolarHBondContact NZ-OH 3.44Å; K336-Y341 PolarHBondContact O-N 3.19Å; E337-Y341 HydrophobicContact CG-CD2 4.41Å; Y341-S343 VanDerWaalsContact C-N 3.32Å; Y341-S343 PolarHBondContact O-N 2.97Å; Y341-I344 PolarHBondContact O-N 2.67Å; Y341-V345 WeakPolarHBondContact O-CG2 3.4Å; Y341-V345 PolarHBondContact O-N 3.43Å
342	P	95.2	Very high	94.9	Very high	43 Å²	43	48.3 Å²	48.3	28%	0.279	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-41.1	174.3	-24.2	35.6	0	0	0	112	E337 I344 V345 E346	E337-P342 WeakPolarHBondContact O-CD 3.35Å; E337-P342 WeakPolarHBondContact O-CG 3.38Å; P342-I344 VanDerWaalsContact C-N 3.32Å; P342-I344 PolarHBondContact O-N 3.28Å; P342-V345 PolarHBondContact O-N 3.29Å; P342-E346 VanDerWaalsContact O-CB 3.26Å; P342-E346 WeakPolarHBondContact O-CB 3.36Å; P342-E346 WeakPolarHBondContact O-CG 3.26Å; P342-E346 PolarHBondContact O-N 3.27Å
343	S	92.9	Very high	94.6	Very high	23 Å²	23	48.4 Å²	48.4	16%	0.161	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-38	177.1	-178.7	0	0	0	0	112.2	K61 I340 Y341 T347	K61-S343 WeakPolarHBondContact CD-OG 3.14Å; I340-S343 WeakPolarHBondContact O-CB 3.25Å; I340-S343 PolarHBondContact O-N 2.94Å; Y341-S343 VanDerWaalsContact C-N 3.32Å; Y341-S343 PolarHBondContact O-N 2.97Å; S343-T347 WeakPolarHBondContact O-CB 3.47Å; S343-T347 PolarHBondContact O-N 2.79Å; S343-T347 PolarHBondContact O-OG1 3.13Å
344	I	94.4	Very high	94.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-55.5	176.2	-63.9	171.8	0	0	0	110.1	M170 L298 V301 I340 Y341 P342 E346 T347 E348	M170-I344 HydrophobicContact CB-CG2 4.34Å; M170-I344 HydrophobicContact CG-CG2 4.32Å; M170-I344 HydrophobicContact SD-CG2 4.17Å; L298-I344 HydrophobicContact CD1-CG1 4.48Å; L298-I344 HydrophobicContact CG-CG2 4.48Å; L298-I344 WeakPolarHBondContact O-CG1 3.39Å; V301-I344 HydrophobicContact CG2-CD1 3.99Å; I340-I344 HydrophobicContact CG2-CD1 3.95Å; I340-I344 WeakPolarHBondContact O-CG1 3.2Å; I340-I344 PolarHBondContact O-N 2.72Å; I340-I344 VanDerWaalsContact O-N 3.09Å; Y341-I344 PolarHBondContact O-N 2.67Å; P342-I344 VanDerWaalsContact C-N 3.32Å; P342-I344 PolarHBondContact O-N 3.28Å; I344-E346 PolarHBondContact O-N 3.19Å; I344-T347 PolarHBondContact O-N 2.92Å; I344-E348 PolarHBondContact O-N 3.43Å
345	V	95.2	Very high	94.2	Very high	15 Å²	15	44 Å²	44	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-46.6	-175.7	172.9	0	0	0	0	111.4	M170 R241 F246 Y341 P342 T347 E348 C349	M170-V345 HydrophobicContact SD-CG2 4.09Å; R241-V345 HydrophobicContact CB-CG1 4.09Å; R241-V345 HydrophobicContact CB-CG2 4.06Å; F246-V345 HydrophobicContact CE1-CG2 4.3Å; F246-V345 HydrophobicContact CE2-CG1 4.08Å; F246-V345 HydrophobicContact CE2-CG2 4.23Å; F246-V345 HydrophobicContact CZ-CB 4.26Å; F246-V345 HydrophobicContact CZ-CG1 4.09Å; F246-V345 HydrophobicContact CZ-CG2 4.06Å; Y341-V345 WeakPolarHBondContact O-CG2 3.4Å; Y341-V345 PolarHBondContact O-N 3.43Å; P342-V345 PolarHBondContact O-N 3.29Å; V345-T347 PolarHBondContact O-N 3.49Å; V345-E348 PolarHBondContact O-N 2.87Å; V345-C349 WeakPolarHBondContact O-CB 3.42Å; V345-C349 PolarHBondContact O-N 2.9Å; V345-C349 PolarHBondContact O-SG 2.96Å
346	E	93.7	Very high	93.9	Very high	96 Å²	96	47.2 Å²	47.2	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-39.5	178.5	-74.6	-170.8	-143.9	0	0	112.8	P342 I344 C349 K350	P342-E346 VanDerWaalsContact O-CB 3.26Å; P342-E346 WeakPolarHBondContact O-CB 3.36Å; P342-E346 WeakPolarHBondContact O-CG 3.26Å; P342-E346 PolarHBondContact O-N 3.27Å; I344-E346 PolarHBondContact O-N 3.19Å; E346-C349 PolarHBondContact O-N 3.47Å; E346-K350 HydrophobicContact CB-CD 4.4Å; E346-K350 WeakPolarHBondContact O-CB 3.05Å; E346-K350 VanDerWaalsContact O-CG 3.25Å; E346-K350 WeakPolarHBondContact O-CG 3.23Å; E346-K350 PolarHBondContact O-N 2.9Å; E346-K350 IonicContact OE2-NZ 2.75Å; E346-K350 PolarHBondContact OE2-NZ 3.44Å
347	T	91.9	Very high	93.8	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-41.4	179.9	-56.5	0	0	0	0	110.4	K61 L298 S343 I344 V345 E351 G352	K61-T347 PolarHBondContact NZ-OG1 2.98Å; L298-T347 HydrophobicContact CD1-CG2 3.99Å; L298-T347 HydrophobicContact CD2-CG2 3.46Å; L298-T347 VanDerWaalsContact CD2-CG2 3.46Å; L298-T347 HydrophobicContact CG-CG2 4.38Å; S343-T347 WeakPolarHBondContact O-CB 3.47Å; S343-T347 PolarHBondContact O-N 2.79Å; S343-T347 PolarHBondContact O-OG1 3.13Å; I344-T347 PolarHBondContact O-N 2.92Å; V345-T347 PolarHBondContact O-N 3.49Å; T347-E351 HydrophobicContact CG2-CB 4.32Å; T347-E351 HydrophobicContact CG2-CG 4.32Å; T347-E351 WeakPolarHBondContact O-CA 3.31Å; T347-E351 VanDerWaalsContact O-CB 3.25Å; T347-E351 WeakPolarHBondContact O-CB 3.18Å; T347-E351 PolarHBondContact O-N 2.95Å; T347-G352 PolarHBondContact O-N 3.32Å
348	E	93.3	Very high	93.6	Very high	14 Å²	14	45 Å²	45	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-44.1	173.4	-73.2	-63.1	165.5	0	0	112.3	P172 F246 L298 I344 V345 G352 S353 M354	P172-E348 HydrophobicContact CG-CB 3.95Å; P172-E348 HydrophobicContact CG-CG 3.93Å; F246-E348 HydrophobicContact CE1-CB 4.12Å; F246-E348 HydrophobicContact CE1-CG 4.29Å; F246-E348 HydrophobicContact CZ-CB 4.14Å; L298-E348 HydrophobicContact CD2-CG 3.88Å; L298-E348 WeakPolarHBondContact CD2-OE1 3.29Å; I344-E348 PolarHBondContact O-N 3.43Å; V345-E348 PolarHBondContact O-N 2.87Å; E348-G352 WeakPolarHBondContact O-CA 3.4Å; E348-G352 PolarHBondContact O-N 2.62Å; E348-G352 VanDerWaalsContact O-N 3.13Å; E348-S353 VanDerWaalsContact OE1-CB 3.26Å; E348-S353 WeakPolarHBondContact OE1-CB 3.28Å; E348-S353 PolarHBondContact OE1-OG 3.31Å; E348-S353 PolarHBondContact OE2-N 2.86Å; E348-M354 PolarHBondContact OE1-N 2.94Å; E348-M354 VanDerWaalsContact OE2-CB 3.25Å; E348-M354 WeakPolarHBondContact OE2-CB 3.24Å; E348-M354 PolarHBondContact OE2-N 3.43Å
349	C	90	Very high	93.4	Very high	66 Å²	66	42.2 Å²	42.2	45%	0.446	25%	0.245	S	C	.	.	H	α-helix	trans	-71.1	-29.6	-179.5	-70.5	0	0	0	0	114.4	V345 E346	V345-C349 WeakPolarHBondContact O-CB 3.42Å; V345-C349 PolarHBondContact O-N 2.9Å; V345-C349 PolarHBondContact O-SG 2.96Å; E346-C349 PolarHBondContact O-N 3.47Å
350	K	91.1	Very high	93.3	Very high	152 Å²	152	43 Å²	43	66%	0.661	25%	0.253	S	S	*	.	H	α-helix	trans	-98.7	-40.3	-177.2	-65.5	170.4	180	173.3	0	113.5	E346	E346-K350 HydrophobicContact CB-CD 4.4Å; E346-K350 WeakPolarHBondContact O-CB 3.05Å; E346-K350 VanDerWaalsContact O-CG 3.25Å; E346-K350 WeakPolarHBondContact O-CG 3.23Å; E346-K350 PolarHBondContact O-N 2.9Å; E346-K350 IonicContact OE2-NZ 2.75Å; E346-K350 PolarHBondContact OE2-NZ 3.44Å
351	E	89.9	Confident	93.2	Very high	119 Å²	119	43 Å²	43	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-105.1	-13.9	-171.2	-52	173.8	-144.3	0	0	111.9	K61 T347 S353	K61-E351 IonicContact NZ-OE1 2.72Å; K61-E351 PolarHBondContact NZ-OE1 3.25Å; T347-E351 HydrophobicContact CG2-CB 4.32Å; T347-E351 HydrophobicContact CG2-CG 4.32Å; T347-E351 WeakPolarHBondContact O-CA 3.31Å; T347-E351 VanDerWaalsContact O-CB 3.25Å; T347-E351 WeakPolarHBondContact O-CB 3.18Å; T347-E351 PolarHBondContact O-N 2.95Å; E351-S353 PolarHBondContact O-N 3.47Å
352	G	90.3	Very high	93	Very high	21 Å²	21	46.4 Å²	46.4	22%	0.216	28%	0.277	C	S	.	.			trans	63.2	38.8	174.9	0	0	0	0	0	113.9	T347 E348 M354 A355 S356	T347-G352 PolarHBondContact O-N 3.32Å; E348-G352 WeakPolarHBondContact O-CA 3.4Å; E348-G352 PolarHBondContact O-N 2.62Å; E348-G352 VanDerWaalsContact O-N 3.13Å; G352-M354 PolarHBondContact O-N 3.36Å; G352-A355 PolarHBondContact O-N 3.42Å; G352-S356 WeakPolarHBondContact O-CB 3.2Å; G352-S356 PolarHBondContact O-N 2.88Å; G352-S356 PolarHBondContact O-OG 3.42Å
353	S	92.4	Very high	92.9	Very high	29 Å²	29	49.6 Å²	49.6	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-53.7	-53.3	-173.8	136.5	0	0	0	0	113.1	E348 E351 W357	E348-S353 VanDerWaalsContact OE1-CB 3.26Å; E348-S353 WeakPolarHBondContact OE1-CB 3.28Å; E348-S353 PolarHBondContact OE1-OG 3.31Å; E348-S353 PolarHBondContact OE2-N 2.86Å; E351-S353 PolarHBondContact O-N 3.47Å; S353-W357 PolarHBondContact O-N 2.76Å; S353-W357 VanDerWaalsContact O-N 3.09Å
354	M	94.6	Very high	92.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-38.8	178.9	-179.4	56.8	62.1	0	0	111.7	Y169 L171 P172 A175 I269 P296 E348 G352 W357 M358	Y169-M354 HydrophobicContact CE1-CE 4.03Å; Y169-M354 WeakPolarHBondContact OH-CE 3.42Å; L171-M354 HydrophobicContact CB-CE 4.06Å; L171-M354 HydrophobicContact CD1-CE 4.34Å; P172-M354 HydrophobicContact CG-CB 4.27Å; A175-M354 HydrophobicContact CB-CG 4.26Å; A175-M354 HydrophobicContact CB-SD 4.19Å; I269-M354 HydrophobicContact CD1-SD 4.49Å; P296-M354 HydrophobicContact CG-CE 4.25Å; E348-M354 PolarHBondContact OE1-N 2.94Å; E348-M354 VanDerWaalsContact OE2-CB 3.25Å; E348-M354 WeakPolarHBondContact OE2-CB 3.24Å; E348-M354 PolarHBondContact OE2-N 3.43Å; G352-M354 PolarHBondContact O-N 3.36Å; M354-W357 PolarHBondContact O-N 3.06Å; M354-W357 HydrophobicContact SD-CE3 3.49Å; M354-W357 HydrophobicContact SD-CZ3 3.72Å; M354-M358 HydrophobicContact CG-CE 4.4Å; M354-M358 WeakPolarHBondContact O-CB 3.36Å; M354-M358 WeakPolarHBondContact O-CG 3.25Å; M354-M358 PolarHBondContact O-N 2.91Å; M354-M358 HydrophobicContact SD-CG 4.35Å
355	A	92	Very high	92.5	Very high	42 Å²	42	54.2 Å²	54.2	35%	0.347	31%	0.312	S	S	.	.	H	α-helix	trans	-65.8	-44.3	178.7	0	0	0	0	0	112.1	G352 W357 M358 A359	G352-A355 PolarHBondContact O-N 3.42Å; A355-W357 VanDerWaalsContact C-N 3.34Å; A355-W357 PolarHBondContact O-N 3.37Å; A355-M358 PolarHBondContact O-N 3.03Å; A355-A359 PolarHBondContact O-N 3.09Å
356	S	93.3	Very high	91.8	Very high	77 Å²	77	54 Å²	54	54%	0.538	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-40.1	176.7	-58	0	0	0	0	111.8	G352 A359	G352-S356 WeakPolarHBondContact O-CB 3.2Å; G352-S356 PolarHBondContact O-N 2.88Å; G352-S356 PolarHBondContact O-OG 3.42Å; S356-A359 PolarHBondContact O-N 3.24Å
357	W	95.2	Very high	90.9	Very high	29 Å²	29	55.7 Å²	55.7	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-40.6	174.1	171.3	81.7	0	0	0	112.8	I269 P293 K294 A295 P296 S353 M354 A355 A359 T360 L361	I269-W357 HydrophobicContact CB-CH2 4.22Å; I269-W357 HydrophobicContact CB-CZ3 4.46Å; I269-W357 HydrophobicContact CD1-CH2 3.98Å; I269-W357 HydrophobicContact CD1-CZ3 3.85Å; I269-W357 HydrophobicContact CG2-CH2 4.07Å; I269-W357 HydrophobicContact CG2-CZ3 3.94Å; P293-W357 HydrophobicContact CB-CZ2 3.86Å; K294-W357 PolarHBondContact O-NE1 2.98Å; A295-W357 HydrophobicContact CB-CH2 4.36Å; A295-W357 HydrophobicContact CB-CZ2 4.14Å; P296-W357 HydrophobicContact CG-CB 3.73Å; P296-W357 HydrophobicContact CG-CD2 4.28Å; P296-W357 HydrophobicContact CG-CG 3.83Å; S353-W357 PolarHBondContact O-N 2.76Å; S353-W357 VanDerWaalsContact O-N 3.09Å; M354-W357 PolarHBondContact O-N 3.06Å; M354-W357 HydrophobicContact SD-CE3 3.49Å; M354-W357 HydrophobicContact SD-CZ3 3.72Å; A355-W357 VanDerWaalsContact C-N 3.34Å; A355-W357 PolarHBondContact O-N 3.37Å; W357-A359 PolarHBondContact O-N 2.83Å; W357-T360 PolarHBondContact O-N 3.18Å; W357-T360 PolarHBondContact O-OG1 3.05Å; W357-L361 HydrophobicContact CH2-CD2 3.88Å; W357-L361 HydrophobicContact CZ2-CD2 3.92Å; W357-L361 HydrophobicContact CZ3-CD1 4.42Å; W357-L361 HydrophobicContact CZ3-CD2 4.48Å
358	M	93.9	Very high	89.5	Confident	20 Å²	20	57.1 Å²	57.1	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-31	176.4	-81.1	-166.6	-67.3	0	0	112.8	V174 A175 K273 M354 A355 T360 L361	V174-M358 HydrophobicContact CG1-CE 4.09Å; V174-M358 HydrophobicContact CG2-CE 4.48Å; A175-M358 VanDerWaalsContact CA-SD 3.58Å; K273-M358 HydrophobicContact CD-CG 4.45Å; K273-M358 HydrophobicContact CD-SD 3.88Å; K273-M358 VanDerWaalsContact CE-SD 3.52Å; K273-M358 PolarHBondContact NZ-SD 2.85Å; K273-M358 VanDerWaalsContact NZ-SD 3.42Å; M354-M358 HydrophobicContact CG-CE 4.4Å; M354-M358 WeakPolarHBondContact O-CB 3.36Å; M354-M358 WeakPolarHBondContact O-CG 3.25Å; M354-M358 PolarHBondContact O-N 2.91Å; M354-M358 HydrophobicContact SD-CG 4.35Å; A355-M358 PolarHBondContact O-N 3.03Å; M358-T360 PolarHBondContact O-N 3.02Å; M358-L361 HydrophobicContact CB-CD1 4.31Å; M358-L361 HydrophobicContact CG-CD1 4.21Å; M358-L361 WeakPolarHBondContact O-CB 3.3Å; M358-L361 WeakPolarHBondContact O-CG 3.28Å; M358-L361 PolarHBondContact O-N 3.16Å; M358-L361 VanDerWaalsContact O-N 3.16Å
359	A	92.4	Very high	87.8	Confident	75 Å²	75	60.3 Å²	60.3	62%	0.62	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.9	175.8	0	0	0	0	0	113.5	A355 S356 W357 P362	A355-A359 PolarHBondContact O-N 3.09Å; S356-A359 PolarHBondContact O-N 3.24Å; W357-A359 PolarHBondContact O-N 2.83Å; A359-P362 WeakPolarHBondContact O-CD 3.29Å
360	T	95	Very high	86	Confident	55 Å²	55	58.2 Å²	58.2	34%	0.337	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.6	174.7	79.2	0	0	0	0	113.3	W357 M358 P362 I363	W357-T360 PolarHBondContact O-N 3.18Å; W357-T360 PolarHBondContact O-OG1 3.05Å; M358-T360 PolarHBondContact O-N 3.02Å; T360-P362 VanDerWaalsContact C-N 3.33Å; T360-I363 WeakPolarHBondContact O-CB 3.46Å; T360-I363 PolarHBondContact O-N 2.92Å
361	L	93.7	Very high	83.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-54.8	-36.6	179.6	-69.3	172.7	0	0	0	114.8	I269 A270 K273 Y275 P293 W357 M358 I363 H364	I269-L361 HydrophobicContact CG2-CD1 4.17Å; A270-L361 HydrophobicContact CB-CD2 4.44Å; K273-L361 HydrophobicContact CD-CD1 3.77Å; Y275-L361 HydrophobicContact CD2-CB 3.94Å; Y275-L361 HydrophobicContact CD2-CD1 4.09Å; Y275-L361 HydrophobicContact CE1-CB 4.46Å; Y275-L361 HydrophobicContact CE2-CB 3.67Å; Y275-L361 HydrophobicContact CE2-CD1 3.82Å; Y275-L361 HydrophobicContact CE2-CG 4.41Å; Y275-L361 HydrophobicContact CG-CB 4.44Å; P293-L361 HydrophobicContact CB-CD2 3.9Å; P293-L361 HydrophobicContact CG-CD2 3.94Å; W357-L361 HydrophobicContact CH2-CD2 3.88Å; W357-L361 HydrophobicContact CZ2-CD2 3.92Å; W357-L361 HydrophobicContact CZ3-CD1 4.42Å; W357-L361 HydrophobicContact CZ3-CD2 4.48Å; M358-L361 HydrophobicContact CB-CD1 4.31Å; M358-L361 HydrophobicContact CG-CD1 4.21Å; M358-L361 WeakPolarHBondContact O-CB 3.3Å; M358-L361 WeakPolarHBondContact O-CG 3.28Å; M358-L361 PolarHBondContact O-N 3.16Å; M358-L361 VanDerWaalsContact O-N 3.16Å; L361-I363 PolarHBondContact O-N 3.49Å; L361-I363 VanDerWaalsContact O-N 3.11Å; L361-H364 PolarHBondContact O-N 2.95Å
362	P	92.9	Very high	81.5	Confident	86 Å²	86	55 Å²	55	56%	0.558	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-64.3	-9.5	175.6	-21.1	32.1	0	0	0	115.8	Y275 A359 T360	Y275-P362 HydrophobicContact CE1-CB 4.35Å; Y275-P362 HydrophobicContact CE1-CG 3.84Å; A359-P362 WeakPolarHBondContact O-CD 3.29Å; T360-P362 VanDerWaalsContact C-N 3.33Å
363	I	92.4	Very high	79.5	Confident	110 Å²	110	55.5 Å²	55.5	56%	0.564	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-82	-23.2	-179.9	-59.4	173.4	0	0	0	111.4	T360 L361	T360-I363 WeakPolarHBondContact O-CB 3.46Å; T360-I363 PolarHBondContact O-N 2.92Å; L361-I363 PolarHBondContact O-N 3.49Å; L361-I363 VanDerWaalsContact O-N 3.11Å
364	H	91.2	Very high	77.2	Confident	39 Å²	39	60 Å²	60	18%	0.181	37%	0.371	C	S	.	.			trans	-79.2	131.9	-177.1	-67.3	-73.5	0	0	0	111.6	D291 P293 L361 F366	D291-H364 IonicContact OD1-CE1 3.76Å; D291-H364 IonicContact OD1-ND1 3.79Å; D291-H364 PolarHBondContact OD1-ND1 2.69Å; D291-H364 VanDerWaalsContact OD1-ND1 3.07Å; D291-H364 IonicContact OD2-CE1 2.9Å; D291-H364 IonicContact OD2-CG 2.75Å; D291-H364 IonicContact OD2-ND1 2.81Å; D291-H364 PolarHBondContact OD2-ND1 2.61Å; P293-H364 HydrophobicContact CG-CB 4.44Å; L361-H364 PolarHBondContact O-N 2.95Å; H364-F366 HydrophobicContact CB-CD2 4.5Å; H364-F366 HydrophobicContact CB-CE1 4.33Å; H364-F366 HydrophobicContact CB-CE2 3.78Å; H364-F366 HydrophobicContact CB-CZ 3.68Å
365	D	87.4	Confident	74.6	Confident	83 Å²	83	64.6 Å²	64.6	44%	0.444	40%	0.396	S	S	.	.			trans	-96.5	106.3	175.7	-167.9	-19.8	0	0	0	110	E367 A368	D365-E367 PolarHBondContact OD1-N 2.84Å; D365-A368 HydrophobicContact CB-CB 4.41Å; D365-A368 VanDerWaalsContact CG-CB 3.45Å; D365-A368 PolarHBondContact OD1-N 2.87Å; D365-A368 WeakPolarHBondContact OD2-CB 3.39Å
366	F	82.3	Confident	72.4	Confident	11 Å²	11	69.4 Å²	69.4	5%	0.048	41%	0.409	C	S	.	.	S	Bend	trans	-87.1	-12.4	179.5	-60.5	-76.6	0	0	0	113.2	L267 A270 S276 V280 R283 P293 H364	L267-F366 HydrophobicContact CD1-CE1 4.21Å; A270-F366 HydrophobicContact CB-CE1 4Å; A270-F366 HydrophobicContact CB-CE2 4.34Å; A270-F366 HydrophobicContact CB-CZ 3.57Å; S276-F366 WeakPolarHBondContact OG-CB 3.45Å; V280-F366 HydrophobicContact CG2-CB 4.49Å; V280-F366 HydrophobicContact CG2-CD1 4.22Å; R283-F366 PolarHBondContact NH1-O 3.24Å; R283-F366 PolarHBondContact NH2-O 2.76Å; P293-F366 HydrophobicContact CG-CE1 3.99Å; P293-F366 HydrophobicContact CG-CZ 3.74Å; H364-F366 HydrophobicContact CB-CD2 4.5Å; H364-F366 HydrophobicContact CB-CE1 4.33Å; H364-F366 HydrophobicContact CB-CE2 3.78Å; H364-F366 HydrophobicContact CB-CZ 3.68Å
367	E	73	Confident	70.2	Confident	131 Å²	131	68.3 Å²	68.3	61%	0.612	40%	0.397	S	S	*	.	S	Bend	trans	-103.3	-35.3	-175.6	-65.2	-61.7	175.9	0	0	113.1	R283 D365 T369	R283-E367 IonicContact NH1-OE2 2.97Å; R283-E367 PolarHBondContact NH1-OE2 3.38Å; D365-E367 PolarHBondContact OD1-N 2.84Å; E367-T369 PolarHBondContact O-N 3.46Å
368	A	62.2	Low	67.6	Low	38 Å²	38	72.9 Å²	72.9	31%	0.314	41%	0.414	S	S	.	.	S	Bend	trans	-67.9	132.3	173.1	0	0	0	0	0	111.3	D365 A370	D365-A368 HydrophobicContact CB-CB 4.41Å; D365-A368 VanDerWaalsContact CG-CB 3.45Å; D365-A368 PolarHBondContact OD1-N 2.87Å; D365-A368 WeakPolarHBondContact OD2-CB 3.39Å; A368-A370 PolarHBondContact O-N 2.98Å
369	T	58.3	Low	64.9	Low	81 Å²	81	78.8 Å²	78.8	50%	0.497	44%	0.441	S	S	.	.			trans	-65.7	100.2	158.1	16.6	0	0	0	0	107.2	E288 E367 T371	E288-T369 HydrophobicContact CB-CG2 4Å; E288-T369 HydrophobicContact CG-CG2 3.7Å; E367-T369 PolarHBondContact O-N 3.46Å; T369-T371 PolarHBondContact O-N 2.85Å
370	A	52.7	Low	62.7	Low	22 Å²	22	80.7 Å²	80.7	18%	0.182	44%	0.438	C	S	.	.			trans	-64.6	91.2	-158.6	0	0	0	0	0	113.9	K289 A368 A373	K289-A370 HydrophobicContact CB-CB 4.32Å; K289-A370 PolarHBondContact O-N 3.29Å; A368-A370 PolarHBondContact O-N 2.98Å; A370-A373 HydrophobicContact CB-CB 3.99Å
371	T	43.3	Very low	60.3	Low	145 Å²	145	79.3 Å²	79.3	89%	0.89	43%	0.428	S	S	*	.	S	Bend	trans	-84.7	-13.2	173.2	46.9	0	0	0	0	113.2	T369	T369-T371 PolarHBondContact O-N 2.85Å
372	G	42.9	Very low	57.7	Low	58 Å²	58	83 Å²	83	60%	0.598	45%	0.448	S	S	*	.	S	Bend	trans	-117.3	-6.1	-176.3	0	0	0	0	0	116.8	Q374	G372-Q374 VanDerWaalsContact C-N 3.27Å; G372-Q374 PolarHBondContact O-N 3.48Å
373	A	48.2	Very low	55.2	Low	33 Å²	33	86.7 Å²	86.7	27%	0.273	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.3	-174.7	0	0	0	0	0	114.6	A370 D375 K376 D377	A370-A373 HydrophobicContact CB-CB 3.99Å; A373-D375 VanDerWaalsContact C-N 3.25Å; A373-D375 PolarHBondContact O-N 3.2Å; A373-K376 PolarHBondContact O-N 2.95Å; A373-D377 PolarHBondContact O-N 3.41Å
374	Q	44.8	Very low	53	Low	123 Å²	123	86.2 Å²	86.2	58%	0.575	45%	0.453	S	S	*	.	H	α-helix	trans	-63	-27.5	-175.6	-70.5	-168	5.5	0	0	113.9	G372 R378	G372-Q374 VanDerWaalsContact C-N 3.27Å; G372-Q374 PolarHBondContact O-N 3.48Å; Q374-R378 VanDerWaalsContact O-CB 3.29Å; Q374-R378 WeakPolarHBondContact O-CB 3.33Å; Q374-R378 WeakPolarHBondContact O-CD 3.4Å; Q374-R378 WeakPolarHBondContact O-CG 3.27Å; Q374-R378 PolarHBondContact O-N 2.98Å
375	D	39.4	Very low	50.2	Low	98 Å²	98	85.2 Å²	85.2	52%	0.524	45%	0.453	S	S	.	.	H	α-helix	trans	-85.6	-24.6	-177	-66.1	-29.4	0	0	0	113.4	A373 R378 E379	A373-D375 VanDerWaalsContact C-N 3.25Å; A373-D375 PolarHBondContact O-N 3.2Å; D375-R378 WeakPolarHBondContact O-CB 3.15Å; D375-R378 IonicContact OD1-CZ 3.07Å; D375-R378 IonicContact OD1-NH1 3.74Å; D375-R378 PolarHBondContact OD1-NH1 3.11Å; D375-E379 PolarHBondContact O-N 3.26Å
376	K	46.7	Very low	47.5	Very low	144 Å²	144	86.1 Å²	86.1	63%	0.626	46%	0.458	S	S	*	.	H	α-helix	trans	-80.5	-44	175.6	-72.8	-172.2	178.2	179.9	0	113.5	A373 R378 E379 Q380	A373-K376 PolarHBondContact O-N 2.95Å; K376-R378 PolarHBondContact O-N 3.06Å; K376-E379 PolarHBondContact O-N 3.35Å; K376-Q380 PolarHBondContact O-N 3.31Å
377	D	46.2	Very low	45.6	Very low	53 Å²	53	92.9 Å²	92.9	28%	0.283	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-30.5	171.6	-107	6.5	0	0	0	109.5	K263 A373 D381	K263-D377 IonicContact NZ-OD2 3.64Å; K263-D377 PolarHBondContact NZ-OD2 3.24Å; A373-D377 PolarHBondContact O-N 3.41Å; D377-D381 WeakPolarHBondContact O-CB 3.35Å; D377-D381 PolarHBondContact O-N 3.29Å
378	R	40.8	Very low	43.9	Very low	126 Å²	126	90.4 Å²	90.4	48%	0.475	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-56.7	169.1	-87.1	172.8	-175.8	148.8	1.8	112.8	Q374 D375 K376 Q380 D381 D382	Q374-R378 VanDerWaalsContact O-CB 3.29Å; Q374-R378 WeakPolarHBondContact O-CB 3.33Å; Q374-R378 WeakPolarHBondContact O-CD 3.4Å; Q374-R378 WeakPolarHBondContact O-CG 3.27Å; Q374-R378 PolarHBondContact O-N 2.98Å; D375-R378 WeakPolarHBondContact O-CB 3.15Å; D375-R378 IonicContact OD1-CZ 3.07Å; D375-R378 IonicContact OD1-NH1 3.74Å; D375-R378 PolarHBondContact OD1-NH1 3.11Å; K376-R378 PolarHBondContact O-N 3.06Å; R378-Q380 PolarHBondContact O-N 3.21Å; R378-Q380 VanDerWaalsContact O-N 3.14Å; R378-D381 CarbonylContact O-C 3.55Å; R378-D381 PolarHBondContact O-N 3.33Å; R378-D382 WeakPolarHBondContact O-CA 3.16Å; R378-D382 WeakPolarHBondContact O-CB 3.37Å; R378-D382 VanDerWaalsContact O-CG 3.22Å; R378-D382 PolarHBondContact O-N 3.41Å
379	E	37.3	Very low	42.2	Very low	143 Å²	143	95.2 Å²	95.2	67%	0.668	50%	0.501	S	S	*	.	H	α-helix	trans	-56	-37.5	-177.5	-75.1	178.5	161.3	0	0	112.5	D375 K376 E383	D375-E379 PolarHBondContact O-N 3.26Å; K376-E379 PolarHBondContact O-N 3.35Å; E379-E383 PolarHBondContact O-N 2.99Å; E379-E383 VanDerWaalsContact O-N 3.15Å
380	Q	45.6	Very low	40.6	Very low	116 Å²	116	95.9 Å²	95.9	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-79	-41.1	179.3	-154	172.6	86.8	0	0	113.3	K376 R378 D382 E384	K376-Q380 PolarHBondContact O-N 3.31Å; R378-Q380 PolarHBondContact O-N 3.21Å; R378-Q380 VanDerWaalsContact O-N 3.14Å; Q380-D382 VanDerWaalsContact C-N 3.31Å; Q380-E384 PolarHBondContact O-N 2.77Å
381	D	44.9	Very low	39.6	Very low	26 Å²	26	98.7 Å²	98.7	14%	0.139	53%	0.532	C	S	.	.	H	α-helix	trans	-78.5	-9.5	172.9	-73.7	-8	0	0	0	112.3	S217 H259 K294 D377 R378 G385	S217-D381 WeakPolarHBondContact CB-OD2 3.39Å; S217-D381 PolarHBondContact OG-OD2 2.61Å; H259-D381 IonicContact CE1-OD1 2.81Å; K294-D381 IonicContact NZ-OD1 3.86Å; K294-D381 PolarHBondContact NZ-OD1 3.32Å; D377-D381 WeakPolarHBondContact O-CB 3.35Å; D377-D381 PolarHBondContact O-N 3.29Å; R378-D381 CarbonylContact O-C 3.55Å; R378-D381 PolarHBondContact O-N 3.33Å; D381-G385 WeakPolarHBondContact O-CA 3.45Å; D381-G385 PolarHBondContact O-N 3.17Å
382	D	39.2	Very low	39	Very low	77 Å²	77	103.7 Å²	103.7	41%	0.412	55%	0.552	S	S	.	*	H	α-helix	trans	-87.2	-36.5	172.6	-80.3	-33.6	0	0	0	110.9	R378 Q380 E384 G385 N386	R378-D382 WeakPolarHBondContact O-CA 3.16Å; R378-D382 WeakPolarHBondContact O-CB 3.37Å; R378-D382 VanDerWaalsContact O-CG 3.22Å; R378-D382 PolarHBondContact O-N 3.41Å; Q380-D382 VanDerWaalsContact C-N 3.31Å; D382-E384 VanDerWaalsContact C-N 3.27Å; D382-E384 PolarHBondContact O-N 3.46Å; D382-G385 PolarHBondContact O-N 2.81Å; D382-N386 HydrophobicContact CB-CB 4.18Å; D382-N386 WeakPolarHBondContact O-CA 3.34Å; D382-N386 WeakPolarHBondContact O-CB 3.35Å; D382-N386 PolarHBondContact O-N 3.35Å
383	E	41.3	Very low	38.8	Very low	163 Å²	163	106 Å²	106	76%	0.762	55%	0.55	S	S	*	.	H	α-helix	trans	-62.2	-35.8	164.8	-77.5	-156.6	144.7	0	0	111.9	E379	E379-E383 PolarHBondContact O-N 2.99Å; E379-E383 VanDerWaalsContact O-N 3.15Å
384	E	46.3	Very low	38.3	Very low	101 Å²	101	109.8 Å²	109.8	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-82.2	-28.3	174.9	-64.3	-160	122.2	0	0	113.5	K294 Q380 D382	K294-E384 IonicContact NZ-OE2 3.59Å; K294-E384 PolarHBondContact NZ-OE2 2.91Å; Q380-E384 PolarHBondContact O-N 2.77Å; D382-E384 VanDerWaalsContact C-N 3.27Å; D382-E384 PolarHBondContact O-N 3.46Å
385	G	32.6	Very low	38	Very low	18 Å²	18	109.1 Å²	109.1	19%	0.186	56%	0.564	C	S	.	*	H	α-helix	trans	-125.1	-18.9	-162.7	0	0	0	0	0	117.1	D381 D382 R387 S388 D389	D381-G385 WeakPolarHBondContact O-CA 3.45Å; D381-G385 PolarHBondContact O-N 3.17Å; D382-G385 PolarHBondContact O-N 2.81Å; G385-R387 PolarHBondContact O-N 3.24Å; G385-S388 WeakPolarHBondContact CA-OG 2.99Å; G385-S388 WeakPolarHBondContact O-CA 3.48Å; G385-S388 WeakPolarHBondContact O-CB 3.37Å; G385-S388 PolarHBondContact O-N 2.77Å; G385-S388 PolarHBondContact O-OG 3.13Å; G385-D389 PolarHBondContact O-N 3.05Å
386	N	30.3	Very low	37.9	Very low	101 Å²	101	109.8 Å²	109.8	54%	0.54	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-12.6	168.2	-151.7	-8.2	0	0	0	111.2	D382 S388 S390	D382-N386 HydrophobicContact CB-CB 4.18Å; D382-N386 WeakPolarHBondContact O-CA 3.34Å; D382-N386 WeakPolarHBondContact O-CB 3.35Å; D382-N386 PolarHBondContact O-N 3.35Å; N386-S388 VanDerWaalsContact C-N 3.32Å; N386-S390 PolarHBondContact O-OG 3.07Å
387	R	40.8	Very low	37.3	Very low	154 Å²	154	107.6 Å²	107.6	58%	0.581	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-2.9	161.4	-78	-179	166	-172.1	-5.1	114.9	G385	G385-R387 PolarHBondContact O-N 3.24Å
388	S	37.3	Very low	36.7	Very low	79 Å²	79	111.3 Å²	111.3	55%	0.552	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-27.1	-175.9	71.9	0	0	0	0	115.4	G385 N386	G385-S388 WeakPolarHBondContact CA-OG 2.99Å; G385-S388 WeakPolarHBondContact O-CA 3.48Å; G385-S388 WeakPolarHBondContact O-CB 3.37Å; G385-S388 PolarHBondContact O-N 2.77Å; G385-S388 PolarHBondContact O-OG 3.13Å; N386-S388 VanDerWaalsContact C-N 3.32Å
389	D	26.4	Very low	36.4	Very low	139 Å²	139	110.2 Å²	110.2	74%	0.743	59%	0.588	S	S	*	*	S	Bend	trans	-104.9	3.5	-178.6	-92	-17	0	0	0	114.8	G385 A391	G385-D389 PolarHBondContact O-N 3.05Å; D389-A391 VanDerWaalsContact C-N 3.3Å; D389-A391 PolarHBondContact O-N 3.19Å
390	S	26.2	Very low	36.4	Very low	94 Å²	94	107.7 Å²	107.7	66%	0.657	58%	0.582	S	S	*	*	S	Bend	trans	-89.4	31.1	175.5	50.2	0	0	0	0	114.6	N386	N386-S390 PolarHBondContact O-OG 3.07Å
391	A	30.9	Very low	35.6	Very low	81 Å²	81	107 Å²	107	67%	0.669	59%	0.586	S	S	*	*			trans	-156.5	105.4	166.4	0	0	0	0	0	112.6	D389	D389-A391 VanDerWaalsContact C-N 3.3Å; D389-A391 PolarHBondContact O-N 3.19Å
392	L	31	Very low	34.8	Very low	251 Å²	251	114.4 Å²	114.4	100%	1.314	63%	0.626	S	S	*	*			trans	-72.4	0	163.6	-80.6	167.2	0	0	0	111.8

Retrieved 392 of 392 residues in 80.4 ms (Link to these results)

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