A0A087XS86_POEFO Loading...

tRNA (guanine(26)-N(2))-dimethyltransferase

AlphaFold DB , UniProt , Accession A0A087XS86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 639 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	32.1	Very low	30.7	Very low	234 Å²	234	171.1 Å²	171.1	100%	1.153	86%	0.856	S	S	*	*				0	122.2	0	-102.4	-177.8	169	0	0	108.1
2	L	30	Very low	30.8	Very low	168 Å²	168	169.8 Å²	169.8	88%	0.88	85%	0.851	S	S	*	*			trans	62.1	136.9	162.5	-65.2	145.8	0	0	0	117.5
3	A	28.9	Very low	30.7	Very low	89 Å²	89	166.3 Å²	166.3	74%	0.736	85%	0.845	S	S	*	*			cis	-167.3	158.3	-9.3	0	0	0	0	0	108.3
4	R	34.4	Very low	30.5	Very low	231 Å²	231	162.4 Å²	162.4	87%	0.872	84%	0.84	S	S	*	*			trans	-57.2	163.7	168.8	-64.3	165.7	161.2	177.4	-6.2	110.6
5	T	34.6	Very low	30.4	Very low	130 Å²	130	159 Å²	159	80%	0.798	84%	0.836	S	S	*	*			cis	177.4	142.2	49.5	-22.8	0	0	0	0	110.9
6	A	34.1	Very low	30.5	Very low	92 Å²	92	163.7 Å²	163.7	76%	0.76	84%	0.839	S	S	*	*			trans	35.6	134.7	143.8	0	0	0	0	0	125.3
7	R	30.8	Very low	30.3	Very low	241 Å²	241	164.7 Å²	164.7	91%	0.909	85%	0.845	S	S	*	*			trans	-154.4	106.5	137.3	-106.2	178.8	-175.5	-164.8	1.4	111.4
8	R	30.6	Very low	30.4	Very low	231 Å²	231	165.6 Å²	165.6	87%	0.872	85%	0.845	S	S	*	*				69.1	99.6	114.1	-83.9	-173.1	176.9	-160.8	-0.3	117.4
9	L	27.1	Very low	30.8	Very low	168 Å²	168	162 Å²	162	88%	0.88	83%	0.834	S	S	*	*			trans	-97.3	133.8	155.6	-140.4	84.6	0	0	0	108
10	L	28.6	Very low	30.8	Very low	147 Å²	147	159.4 Å²	159.4	77%	0.77	83%	0.83	S	S	*	*			trans	-108.7	112.5	175.8	-115.9	145.1	0	0	0	108.6	I12	L10-I12 HydrophobicContact CD2-CG1 4.45Å
11	L	27	Very low	31.1	Very low	151 Å²	151	157.6 Å²	157.6	79%	0.791	83%	0.829	S	S	*	*			trans	-89.8	129.8	166.8	-88.8	148.5	0	0	0	108.3
12	I	31.2	Very low	30.8	Very low	155 Å²	155	151.3 Å²	151.3	80%	0.795	81%	0.808	S	S	*	*			trans	-127.4	132.9	158.5	-63.1	-179.4	0	0	0	107.8	L10	L10-I12 HydrophobicContact CD2-CG1 4.45Å
13	T	29.4	Very low	30.7	Very low	125 Å²	125	154.5 Å²	154.5	77%	0.767	81%	0.81	S	S	*	*			trans	-93.3	167.4	-168.9	41.9	0	0	0	0	114.7
14	S	28.7	Very low	30.5	Very low	112 Å²	112	155.6 Å²	155.6	78%	0.783	81%	0.812	S	S	*	*			trans	89.5	137.2	154.8	-143.4	0	0	0	0	115.7
15	S	28.5	Very low	30.1	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	81%	0.809	S	S	*	*			cis	-157.5	153.1	20.9	17.1	0	0	0	0	111.7
16	R	31.2	Very low	29.7	Very low	234 Å²	234	150.5 Å²	150.5	88%	0.883	81%	0.811	S	S	*	*			trans	-75	151	168.9	-66.4	177	-178.8	-165.4	-1	111.1
17	L	27.8	Very low	29.4	Very low	181 Å²	181	155.5 Å²	155.5	95%	0.948	82%	0.818	S	S	*	*			trans	-158.1	138.6	140.4	-99.8	160	0	0	0	109.5
18	H	31.7	Very low	29.1	Very low	180 Å²	180	150.3 Å²	150.3	83%	0.833	81%	0.814	S	S	*	*			trans	-101.6	-175.1	-170.4	-113.2	-42.1	0	0	0	110.9
19	P	38.2	Very low	28.8	Very low	98 Å²	98	145.3 Å²	145.3	64%	0.636	81%	0.813	S	S	*	*			trans	-107.9	162.2	-134.2	41.8	-35	0	0	0	117.6
20	S	30.6	Very low	28.7	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	81%	0.813	S	S	*	*			trans	58.7	146.5	147.4	64.6	0	0	0	0	119.8
21	P	37.3	Very low	28.6	Very low	123 Å²	123	153 Å²	153	80%	0.799	82%	0.82	S	S	*	*				-148.6	173.4	76.4	35.6	-13.4	0	0	0	117.3
22	S	27.1	Very low	28.6	Very low	102 Å²	102	155.9 Å²	155.9	71%	0.713	82%	0.82	S	S	*	*			trans	-38.6	149.6	172.4	52.7	0	0	0	0	119.2
23	Y	26.3	Very low	28.2	Very low	235 Å²	235	159 Å²	159	92%	0.922	82%	0.822	S	S	*	*			trans	-151.6	129.3	138.3	-108.7	-82.4	0	0	0	111.9
24	S	25.7	Very low	28	Very low	111 Å²	111	158.5 Å²	158.5	78%	0.776	82%	0.823	S	S	*	*			trans	-85.7	147.5	167.8	67.6	0	0	0	0	110.9
25	A	26.4	Very low	27.8	Very low	99 Å²	99	158.3 Å²	158.3	82%	0.818	82%	0.822	S	S	*	*			trans	-155.1	115.6	148	0	0	0	0	0	111
26	N	25.8	Very low	27.7	Very low	156 Å²	156	161.9 Å²	161.9	83%	0.834	83%	0.828	S	S	*	*			trans	-61.3	137.8	159.2	-81.6	-38.4	0	0	0	110
27	Q	26.6	Very low	27.5	Very low	197 Å²	197	157.9 Å²	157.9	92%	0.921	83%	0.825	S	S	*	*			trans	-143	97.9	147.6	-113.7	177	17.4	0	0	111
28	T	25.5	Very low	27.6	Very low	132 Å²	132	155.5 Å²	155.5	81%	0.81	82%	0.82	S	S	*	*			trans	-56.3	133.1	154.1	42.7	0	0	0	0	111
29	C	24.2	Very low	27.3	Very low	126 Å²	126	155.3 Å²	155.3	85%	0.851	82%	0.82	S	S	*	*			trans	-121.6	106.4	156.4	-163.1	0	0	0	0	109.5
30	R	24.8	Very low	26.9	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	83%	0.826	S	S	*	*			trans	-87.5	128.3	166.4	-82.7	177.1	167	179.5	-3.5	108.9
31	R	27.3	Very low	26.6	Very low	240 Å²	240	157.4 Å²	157.4	91%	0.906	83%	0.831	S	S	*	*			trans	-146.1	98.5	147.5	-86.5	-173	172.7	-177	-2.9	106.9
32	R	25.4	Very low	26	Very low	212 Å²	212	156.1 Å²	156.1	80%	0.8	83%	0.83	S	S	*	*				60.3	111.2	89.6	-92.1	-166.2	-179.9	-167.8	2.3	115.6
33	R	23.8	Very low	25.9	Very low	222 Å²	222	156.1 Å²	156.1	84%	0.838	84%	0.837	S	S	*	*			trans	66.6	143.2	140.9	-62.3	-177.9	176.1	-161.2	-2.8	116.1
34	S	25.9	Very low	25.9	Very low	113 Å²	113	152.4 Å²	152.4	79%	0.79	83%	0.833	S	S	*	*			cis	-154.1	149.2	29.3	55.6	0	0	0	0	112.6
35	S	24.4	Very low	26.5	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	83%	0.83	S	S	*	*			trans	-61.9	145.6	156.5	51.9	0	0	0	0	111.9
36	M	26.6	Very low	26.4	Very low	186 Å²	186	152.6 Å²	152.6	92%	0.916	83%	0.826	S	S	*	*			trans	-172.5	113.8	138.6	-107	170.8	162.4	0	0	110.4
37	D	26.8	Very low	26.4	Very low	150 Å²	150	150.3 Å²	150.3	80%	0.802	82%	0.822	S	S	*	*			trans	-59.7	164.8	155.3	-76	-54.6	0	0	0	110.8
38	P	29.9	Very low	26.4	Very low	131 Å²	131	150.3 Å²	150.3	85%	0.851	82%	0.822	S	S	*	*				-134.4	142	118.6	23.7	-6	0	0	0	114.4
39	Q	26	Very low	26.4	Very low	177 Å²	177	151 Å²	151	83%	0.827	83%	0.826	S	S	*	*			trans	-74.9	142	169.4	-85.4	178.8	-32.4	0	0	113.1
40	V	28.4	Very low	26.5	Very low	128 Å²	128	150.5 Å²	150.5	78%	0.776	82%	0.824	S	S	*	*				54.8	123.8	128.8	-171.7	0	0	0	0	120
41	S	24.8	Very low	26.7	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	82%	0.818	S	S	*	*			trans	-147.7	134.9	130.5	60.6	0	0	0	0	111.2
42	A	25.2	Very low	26.6	Very low	96 Å²	96	140 Å²	140	79%	0.793	81%	0.811	S	S	*	*			trans	-96.8	148.4	-179.3	0	0	0	0	0	110.8
43	A	25.3	Very low	27	Very low	103 Å²	103	135 Å²	135	85%	0.851	81%	0.809	S	S	*	*			trans	-160.6	112.9	152.9	0	0	0	0	0	109.8
44	D	25.6	Very low	27.2	Very low	156 Å²	156	130 Å²	130	83%	0.834	80%	0.804	S	S	*	*			trans	-108.5	159.5	154.1	-117.7	-22.6	0	0	0	105.5
45	P	37.8	Very low	27.5	Very low	110 Å²	110	134.5 Å²	134.5	71%	0.714	81%	0.812	S	S	*	*				-153.3	170.3	52.1	38	-15.8	0	0	0	117.6
46	S	25.2	Very low	27.7	Very low	104 Å²	104	135 Å²	135	73%	0.727	81%	0.81	S	S	*	*				141.1	110	123.6	61.7	0	0	0	0	115.8
47	S	26.1	Very low	28	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	80%	0.801	S	S	*	*			trans	30.4	125.2	140.6	59.7	0	0	0	0	121.5
48	E	24.7	Very low	28.3	Very low	196 Å²	196	131.8 Å²	131.8	92%	0.916	80%	0.8	S	S	*	*				-163.1	140.6	108.5	-106.9	176.2	-168.9	0	0	111.9
49	V	27.2	Very low	28.7	Very low	147 Å²	147	133.4 Å²	133.4	89%	0.891	80%	0.796	S	S	*	*			trans	-90.3	130.7	-179.5	174.5	0	0	0	0	108.6
50	S	25.5	Very low	29.3	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	78%	0.782	S	S	*	*			trans	-151.5	114.1	160.1	147.5	0	0	0	0	109.9
51	S	28.7	Very low	29.9	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	78%	0.775	S	S	*	*			trans	-67	126.6	169.8	50.1	0	0	0	0	111.4
52	D	26.2	Very low	31	Very low	144 Å²	144	127.1 Å²	127.1	77%	0.77	77%	0.768	S	S	*	*			trans	-153.6	133.2	139.9	-146.9	-5.2	0	0	0	112
53	S	33.4	Very low	32.6	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	75%	0.747	S	S	*	*			trans	-88.1	112.9	-178	49.2	0	0	0	0	109.8
54	T	27.6	Very low	34.6	Very low	118 Å²	118	128.1 Å²	128.1	72%	0.724	74%	0.743	S	S	*	*			trans	-138.4	123.6	163.3	28.4	0	0	0	0	110.6	V56	T54-V56 PolarHBondContact O-N 2.56Å
55	H	32.9	Very low	37.1	Very low	207 Å²	207	125 Å²	125	96%	0.958	73%	0.726	S	S	*	*			trans	-56.6	101.9	170.2	-105.3	-80.6	0	0	0	109.6
56	V	27.6	Very low	39.1	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.715	72%	0.716	S	S	*	*			trans	-88.3	112.7	168.6	-179.4	0	0	0	0	107.7	T54 E58	T54-V56 PolarHBondContact O-N 2.56Å; V56-E58 PolarHBondContact O-N 2.71Å; V56-E58 VanDerWaalsContact O-N 3.16Å
57	S	33.4	Very low	41.5	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	72%	0.722	S	S	*	*			trans	-54.7	112.3	162.5	46	0	0	0	0	109.1	E59	S57-E59 PolarHBondContact O-N 2.87Å
58	E	33.3	Very low	43.8	Very low	165 Å²	165	123.2 Å²	123.2	77%	0.771	71%	0.714	S	S	*	*			trans	-63	98.8	176	-75.2	-170.3	169.2	0	0	110.7	V56 R211	V56-E58 PolarHBondContact O-N 2.71Å; V56-E58 VanDerWaalsContact O-N 3.16Å; E58-R211 IonicContact OE2-NH1 2.62Å
59	E	38.6	Very low	46.5	Very low	165 Å²	165	115.1 Å²	115.1	77%	0.771	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-64.3	148.6	163.2	-76.9	-165	152.1	0	0	110.8	S57 R211	S57-E59 PolarHBondContact O-N 2.87Å; E59-R211 PolarHBondContact O-NH2 3.37Å; E59-R211 VanDerWaalsContact O-NH2 3.11Å
60	P	37.3	Very low	49.3	Very low	82 Å²	82	111.2 Å²	111.2	53%	0.532	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-52.6	132.9	169.8	14.7	-16.5	0	0	0	112.2	T62	P60-T62 PolarHBondContact O-N 3.11Å
61	P	41.5	Very low	52.3	Low	99 Å²	99	108.3 Å²	108.3	64%	0.643	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-56.8	116.7	163.3	25.5	-28.8	0	0	0	105.5	A63 R211	P61-A63 VanDerWaalsContact C-N 3.31Å; P61-A63 PolarHBondContact O-N 3.29Å; P61-R211 VanDerWaalsContact CD-CZ 3.41Å
62	T	48.3	Very low	55.2	Low	113 Å²	113	104.8 Å²	104.8	69%	0.693	60%	0.604	S	S	*	*			trans	-64.6	92.3	-175.6	45.8	0	0	0	0	108.4	P60 K64	P60-T62 PolarHBondContact O-N 3.11Å; T62-K64 VanDerWaalsContact C-N 3.27Å; T62-K64 PolarHBondContact O-N 2.94Å
63	A	57.5	Low	58.3	Low	43 Å²	43	105.8 Å²	105.8	36%	0.355	60%	0.602	S	S	.	*			trans	-58.7	104.4	156.9	0	0	0	0	0	104.8	P61 L65 Y209	P61-A63 VanDerWaalsContact C-N 3.31Å; P61-A63 PolarHBondContact O-N 3.29Å; A63-L65 PolarHBondContact O-N 2.92Å; A63-Y209 HydrophobicContact CB-CD2 3.84Å
64	K	67.6	Low	61.2	Low	178 Å²	178	101 Å²	101	77%	0.774	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-56.7	126.2	-174.3	-71.2	-178.7	178.4	178.5	0	107.9	T62 L66 R205	T62-K64 VanDerWaalsContact C-N 3.27Å; T62-K64 PolarHBondContact O-N 2.94Å; K64-L66 PolarHBondContact O-N 3.31Å; K64-R205 PolarHBondContact O-NH2 3.36Å
65	L	77.8	Confident	64.3	Low	89 Å²	89	97.7 Å²	97.7	47%	0.466	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-55.7	130.6	170.9	-69.2	168.6	0	0	0	107.7	A63 E69 V71 L80	A63-L65 PolarHBondContact O-N 2.92Å; L65-E69 HydrophobicContact CD2-CB 4.34Å; L65-V71 HydrophobicContact CD1-CG2 4.35Å; L65-V71 HydrophobicContact CD2-CG2 3.59Å; L65-L80 HydrophobicContact CD2-CD2 3.61Å
66	L	80.5	Confident	67.2	Low	96 Å²	96	93.8 Å²	93.8	50%	0.503	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-70.9	153.6	170.7	-64.3	177	0	0	0	108.6	K64 G68 E69	K64-L66 PolarHBondContact O-N 3.31Å; L66-G68 PolarHBondContact O-N 2.81Å; L66-E69 HydrophobicContact CB-CG 3.91Å; L66-E69 WeakPolarHBondContact CB-OE2 3.41Å; L66-E69 PolarHBondContact N-OE2 3.4Å; L66-E69 WeakPolarHBondContact O-CB 3.35Å; L66-E69 WeakPolarHBondContact O-CG 3.47Å; L66-E69 PolarHBondContact O-N 3.22Å; L66-E69 VanDerWaalsContact O-N 3.11Å
67	P	75.6	Confident	70.5	Confident	132 Å²	132	88.2 Å²	88.2	86%	0.857	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	127.4	176.2	-25.7	34.5	0	0	0	111.6
68	G	74.4	Confident	73.4	Confident	59 Å²	59	83.9 Å²	83.9	61%	0.608	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-4.7	179.4	0	0	0	0	0	115.4	L66	L66-G68 PolarHBondContact O-N 2.81Å
69	E	81.8	Confident	76.2	Confident	25 Å²	25	76.1 Å²	76.1	12%	0.117	44%	0.438	C	S	.	.			trans	-78.1	144.4	-179.7	-63.5	-164.2	131.7	0	0	114	L65 L66 F81 R205	L65-E69 HydrophobicContact CD2-CB 4.34Å; L66-E69 HydrophobicContact CB-CG 3.91Å; L66-E69 WeakPolarHBondContact CB-OE2 3.41Å; L66-E69 PolarHBondContact N-OE2 3.4Å; L66-E69 WeakPolarHBondContact O-CB 3.35Å; L66-E69 WeakPolarHBondContact O-CG 3.47Å; L66-E69 PolarHBondContact O-N 3.22Å; L66-E69 VanDerWaalsContact O-N 3.11Å; E69-F81 VanDerWaalsContact CA-O 3.24Å; E69-F81 WeakPolarHBondContact CA-O 3.38Å; E69-R205 IonicContact OE1-CZ 3.25Å; E69-R205 IonicContact OE1-NH1 3.03Å; E69-R205 PolarHBondContact OE1-NH1 3.5Å; E69-R205 IonicContact OE1-NH2 2.66Å; E69-R205 IonicContact OE2-CZ 3.01Å; E69-R205 VanDerWaalsContact OE2-CZ 3.25Å; E69-R205 IonicContact OE2-NH1 3.86Å; E69-R205 PolarHBondContact OE2-NH1 2.85Å; E69-R205 IonicContact OE2-NH2 2.99Å; E69-R205 PolarHBondContact OE2-NH2 3.33Å
70	T	85.4	Confident	78.6	Confident	65 Å²	65	68.2 Å²	68.2	40%	0.399	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.7	172.7	55.3	0	0	0	0	110.3	F81	T70-F81 PolarHBondContact N-O 3.3Å; T70-F81 PolarHBondContact O-N 3.46Å
71	V	89.1	Confident	80.6	Confident	54 Å²	54	64.7 Å²	64.7	33%	0.327	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.6	176.7	-174	0	0	0	0	108.8	L65 A78 I79 L80 Y209	L65-V71 HydrophobicContact CD1-CG2 4.35Å; L65-V71 HydrophobicContact CD2-CG2 3.59Å; V71-A78 HydrophobicContact CG1-CB 4.06Å; V71-I79 WeakPolarHBondContact CA-O 3.48Å; V71-L80 HydrophobicContact CG2-CD2 4.01Å; V71-Y209 HydrophobicContact CG1-CE1 4.44Å
72	V	88.6	Confident	81.9	Confident	37 Å²	37	62.1 Å²	62.1	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.9	171.8	178.1	0	0	0	0	108.4	I79 F81 Y89	V72-I79 PolarHBondContact N-O 3.42Å; V72-I79 PolarHBondContact O-N 3.06Å; V72-F81 HydrophobicContact CB-CD2 4.01Å; V72-F81 HydrophobicContact CB-CE2 3.72Å; V72-F81 HydrophobicContact CG2-CD2 3.63Å; V72-F81 HydrophobicContact CG2-CE2 3.73Å; V72-Y89 HydrophobicContact CG1-CD1 3.86Å; V72-Y89 HydrophobicContact CG1-CD2 4.47Å; V72-Y89 HydrophobicContact CG1-CE1 3.4Å; V72-Y89 VanDerWaalsContact CG1-CE1 3.4Å; V72-Y89 HydrophobicContact CG1-CE2 4.09Å; V72-Y89 HydrophobicContact CG1-CG 4.36Å
73	K	92.1	Very high	82.7	Confident	165 Å²	165	60.4 Å²	60.4	72%	0.717	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.6	175.9	-64	-174.7	178.3	-177	0	110.2	A77 A78	K73-A77 WeakPolarHBondContact CA-O 3.21Å; K73-A78 HydrophobicContact CG-CB 4.12Å
74	E	93.6	Very high	82.5	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.037	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	128.8	169.8	-172.2	-167.9	105.3	0	0	109.5	K76 A77 Y89 E94 R97 L175 R179	E74-K76 PolarHBondContact O-N 2.61Å; E74-A77 PolarHBondContact N-O 3.3Å; E74-A77 PolarHBondContact O-N 2.98Å; E74-Y89 WeakPolarHBondContact OE2-CE2 3.42Å; E74-Y89 PolarHBondContact OE2-OH 3.29Å; E74-E94 HydrophobicContact CG-CB 4.46Å; E74-E94 HydrophobicContact CG-CG 3.87Å; E74-R97 WeakPolarHBondContact OE1-CD 3.4Å; E74-R97 IonicContact OE1-CZ 3.92Å; E74-R97 IonicContact OE1-NE 3.2Å; E74-R97 PolarHBondContact OE1-NE 3.4Å; E74-R97 IonicContact OE1-NH2 2.9Å; E74-R97 IonicContact OE2-CZ 3.97Å; E74-R97 IonicContact OE2-NE 3.97Å; E74-R97 PolarHBondContact OE2-NE 2.9Å; E74-R97 IonicContact OE2-NH2 2.88Å; E74-R97 PolarHBondContact OE2-NH2 3.17Å; E74-L175 HydrophobicContact CB-CD1 4.27Å; E74-R179 IonicContact OE1-CZ 2.63Å; E74-R179 IonicContact OE1-NE 3.75Å; E74-R179 IonicContact OE1-NH1 3.68Å; E74-R179 PolarHBondContact OE1-NH1 3.04Å
75	G	93.5	Very high	81.7	Confident	48 Å²	48	57.7 Å²	57.7	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-127.7	-169.7	0	0	0	0	0	110.1
76	K	94.4	Very high	80.4	Confident	124 Å²	124	57.7 Å²	57.7	54%	0.539	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-9.5	175.2	-65.6	-174.4	-177	177.9	0	113.9	E74 L182 E183	E74-K76 PolarHBondContact O-N 2.61Å; K76-L182 HydrophobicContact CB-CB 4.02Å; K76-L182 HydrophobicContact CB-CD1 4.18Å; K76-L182 WeakPolarHBondContact CD-O 3.44Å; K76-L182 WeakPolarHBondContact O-CD1 3.45Å; K76-E183 HydrophobicContact CB-CG 4.12Å; K76-E183 HydrophobicContact CD-CG 4.09Å; K76-E183 HydrophobicContact CG-CG 4.15Å; K76-E183 PolarHBondContact N-OE1 2.74Å
77	A	95.8	Very high	79.2	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.2	-176.8	0	0	0	0	0	112	K73 E74 L175 V178 R179 L182	K73-A77 WeakPolarHBondContact CA-O 3.21Å; E74-A77 PolarHBondContact N-O 3.3Å; E74-A77 PolarHBondContact O-N 2.98Å; A77-L175 HydrophobicContact CB-CD1 3.84Å; A77-V178 HydrophobicContact CB-CB 4.25Å; A77-V178 HydrophobicContact CB-CG1 3.61Å; A77-R179 HydrophobicContact CB-CG 3.53Å; A77-L182 HydrophobicContact CB-CD1 4.32Å
78	A	94.4	Very high	78.5	Confident	14 Å²	14	51 Å²	51	12%	0.116	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.4	168.6	0	0	0	0	0	109.4	V71 K73 Y209 N210	V71-A78 HydrophobicContact CG1-CB 4.06Å; K73-A78 HydrophobicContact CG-CB 4.12Å; A78-Y209 HydrophobicContact CB-CD1 4.27Å; A78-Y209 HydrophobicContact CB-CE1 3.75Å; A78-Y209 WeakPolarHBondContact O-CD1 3.46Å; A78-N210 PolarHBondContact N-OD1 2.73Å; A78-N210 PolarHBondContact O-ND2 2.75Å; A78-N210 PolarHBondContact O-OD1 3.27Å
79	I	91.4	Very high	78.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.1	-172.2	-61.3	-58.4	0	0	0	109.9	V71 V72 F81 L175 V178 N206	V71-I79 WeakPolarHBondContact CA-O 3.48Å; V72-I79 PolarHBondContact N-O 3.42Å; V72-I79 PolarHBondContact O-N 3.06Å; I79-F81 HydrophobicContact CB-CD2 4.46Å; I79-F81 HydrophobicContact CB-CE2 3.73Å; I79-F81 HydrophobicContact CB-CZ 4.3Å; I79-F81 HydrophobicContact CG2-CD2 3.98Å; I79-F81 HydrophobicContact CG2-CE1 4.37Å; I79-F81 HydrophobicContact CG2-CE2 3.29Å; I79-F81 HydrophobicContact CG2-CZ 3.51Å; I79-F81 WeakPolarHBondContact O-CD2 3.5Å; I79-L175 HydrophobicContact CD1-CB 4.39Å; I79-L175 HydrophobicContact CD1-CD1 4.24Å; I79-L175 HydrophobicContact CG1-CB 3.96Å; I79-L175 HydrophobicContact CG1-CD1 3.47Å; I79-L175 VanDerWaalsContact CG1-CD1 3.47Å; I79-L175 HydrophobicContact CG1-CG 4.26Å; I79-V178 HydrophobicContact CD1-CB 4.1Å; I79-V178 HydrophobicContact CD1-CG1 4.31Å; I79-V178 HydrophobicContact CD1-CG2 3.93Å; I79-N206 HydrophobicContact CD1-CB 3.96Å; I79-N206 WeakPolarHBondContact CG2-ND2 3.3Å
80	L	89.8	Confident	78.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.6	172.3	-53	179.5	0	0	0	109.3	L65 V71 L202 R205 N206 Y209	L65-L80 HydrophobicContact CD2-CD2 3.61Å; V71-L80 HydrophobicContact CG2-CD2 4.01Å; L80-L202 WeakPolarHBondContact O-CD1 3.46Å; L80-R205 HydrophobicContact CD1-CG 4.25Å; L80-N206 WeakPolarHBondContact CB-OD1 3.43Å; L80-N206 WeakPolarHBondContact CG-OD1 3.33Å; L80-N206 PolarHBondContact N-OD1 3.26Å; L80-Y209 HydrophobicContact CD1-CD2 4.06Å; L80-Y209 HydrophobicContact CD1-CG 4.05Å; L80-Y209 HydrophobicContact CD2-CD1 4.08Å; L80-Y209 HydrophobicContact CD2-CD2 3.92Å; L80-Y209 HydrophobicContact CD2-CE1 4.04Å; L80-Y209 HydrophobicContact CD2-CE2 3.9Å; L80-Y209 HydrophobicContact CD2-CG 4.02Å; L80-Y209 HydrophobicContact CG-CD1 4.27Å; L80-Y209 HydrophobicContact CG-CD2 4.28Å; L80-Y209 HydrophobicContact CG-CG 4.04Å
81	F	79.9	Confident	77.9	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.7	174.3	-75.3	-86.4	0	0	0	110.2	E69 T70 V72 I79 N83 V87 Y89	E69-F81 VanDerWaalsContact CA-O 3.24Å; E69-F81 WeakPolarHBondContact CA-O 3.38Å; T70-F81 PolarHBondContact N-O 3.3Å; T70-F81 PolarHBondContact O-N 3.46Å; V72-F81 HydrophobicContact CB-CD2 4.01Å; V72-F81 HydrophobicContact CB-CE2 3.72Å; V72-F81 HydrophobicContact CG2-CD2 3.63Å; V72-F81 HydrophobicContact CG2-CE2 3.73Å; I79-F81 HydrophobicContact CB-CD2 4.46Å; I79-F81 HydrophobicContact CB-CE2 3.73Å; I79-F81 HydrophobicContact CB-CZ 4.3Å; I79-F81 HydrophobicContact CG2-CD2 3.98Å; I79-F81 HydrophobicContact CG2-CE1 4.37Å; I79-F81 HydrophobicContact CG2-CE2 3.29Å; I79-F81 HydrophobicContact CG2-CZ 3.51Å; I79-F81 WeakPolarHBondContact O-CD2 3.5Å; F81-N83 PolarHBondContact O-N 2.82Å; F81-V87 HydrophobicContact CD1-CB 3.86Å; F81-V87 HydrophobicContact CD1-CG1 4.38Å; F81-V87 HydrophobicContact CE1-CB 4.01Å; F81-V87 HydrophobicContact CE1-CG1 4.06Å; F81-Y89 HydrophobicContact CZ-CG 4.24Å
82	P	68	Low	77.5	Confident	45 Å²	45	46.1 Å²	46.1	29%	0.292	26%	0.255	S	S	.	.	S	Bend	trans	-61.1	-31.2	-177.1	18.2	-27.6	0	0	0	113.3	E86 V87	P82-E86 HydrophobicContact CG-CB 4.44Å; P82-V87 HydrophobicContact CG-CG2 3.86Å
83	N	64.9	Low	77.5	Confident	77 Å²	77	45.3 Å²	45.3	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	-158.7	148.1	172.2	-153.9	-16.3	0	0	0	108.1	F81 N85 E86	F81-N83 PolarHBondContact O-N 2.82Å; N83-N85 PolarHBondContact O-N 3Å; N83-E86 HydrophobicContact CB-CB 4.05Å; N83-E86 HydrophobicContact CB-CG 3.84Å; N83-E86 PolarHBondContact O-N 2.89Å; N83-E86 VanDerWaalsContact O-N 3.07Å
84	A	52.8	Low	77.6	Confident	75 Å²	75	40.1 Å²	40.1	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-16.4	-175.7	0	0	0	0	0	114.1
85	N	51	Low	77.6	Confident	90 Å²	90	39.9 Å²	39.9	48%	0.481	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-1.4	-176.4	-69.5	-32.7	0	0	0	115.2	N83 G579	N83-N85 PolarHBondContact O-N 3Å; N85-G579 PolarHBondContact O-N 3.45Å
86	E	52.3	Low	77.8	Confident	89 Å²	89	37.6 Å²	37.6	42%	0.416	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-30.1	-168.6	-82.6	-178.4	-160.8	0	0	115.3	P82 N83	P82-E86 HydrophobicContact CG-CB 4.44Å; N83-E86 HydrophobicContact CB-CB 4.05Å; N83-E86 HydrophobicContact CB-CG 3.84Å; N83-E86 PolarHBondContact O-N 2.89Å; N83-E86 VanDerWaalsContact O-N 3.07Å
87	V	53.3	Low	77.9	Confident	33 Å²	33	32.6 Å²	32.6	20%	0.2	18%	0.18	C	C	.	.	S	Bend	trans	-126.3	134.7	179	-176	0	0	0	0	110.1	F81 P82 Y89 L202	F81-V87 HydrophobicContact CD1-CB 3.86Å; F81-V87 HydrophobicContact CD1-CG1 4.38Å; F81-V87 HydrophobicContact CE1-CB 4.01Å; F81-V87 HydrophobicContact CE1-CG1 4.06Å; P82-V87 HydrophobicContact CG-CG2 3.86Å; V87-Y89 PolarHBondContact O-N 2.93Å; V87-L202 HydrophobicContact CB-CD2 4.05Å; V87-L202 HydrophobicContact CG1-CD2 3.77Å; V87-L202 HydrophobicContact CG2-CD2 3.69Å
88	F	61.5	Low	78	Confident	53 Å²	53	32.5 Å²	32.5	23%	0.232	18%	0.18	C	C	.	.			trans	-71.3	118.7	-169.6	178.3	-101.4	0	0	0	112.7	N90 Y245 K571	F88-N90 HydrophobicContact CE1-CB 3.95Å; F88-N90 HydrophobicContact CE2-CB 4.47Å; F88-N90 HydrophobicContact CZ-CB 3.84Å; F88-Y245 WeakPolarHBondContact CB-OH 3.34Å; F88-Y245 HydrophobicContact CD1-CE1 4.14Å; F88-Y245 AromaticContact CD1-CZ 3.64Å; F88-Y245 WeakPolarHBondContact CD1-OH 3.39Å; F88-Y245 AromaticContact CD2-CE1 3.79Å; F88-Y245 HydrophobicContact CD2-CE1 3.79Å; F88-Y245 AromaticContact CD2-CZ 3.76Å; F88-Y245 WeakPolarHBondContact CD2-OH 3.4Å; F88-Y245 AromaticContact CE1-CE1 3.74Å; F88-Y245 HydrophobicContact CE1-CE1 3.74Å; F88-Y245 AromaticContact CE1-CZ 3.66Å; F88-Y245 WeakPolarHBondContact CE1-OH 3.41Å; F88-Y245 AromaticContact CE2-CE1 3.34Å; F88-Y245 HydrophobicContact CE2-CE1 3.34Å; F88-Y245 AromaticContact CE2-CZ 3.77Å; F88-Y245 WeakPolarHBondContact CE2-OH 3.27Å; F88-Y245 HydrophobicContact CG-CE1 4.16Å; F88-Y245 AromaticContact CG-CZ 3.69Å; F88-Y245 WeakPolarHBondContact CG-OH 3.43Å; F88-Y245 HydrophobicContact CZ-CD1 4.35Å; F88-Y245 AromaticContact CZ-CE1 3.31Å; F88-Y245 HydrophobicContact CZ-CE1 3.31Å; F88-Y245 AromaticContact CZ-CZ 3.72Å; F88-K571 HydrophobicContact CD2-CB 4.09Å; F88-K571 HydrophobicContact CE2-CB 3.45Å; F88-K571 VanDerWaalsContact CE2-CB 3.45Å; F88-K571 HydrophobicContact CZ-CB 4.29Å
89	Y	71	Confident	78.2	Confident	47 Å²	47	32 Å²	32	18%	0.184	18%	0.175	C	C	.	.			trans	-126.1	126.5	164.7	172.2	-115.5	0	0	0	110	V72 E74 F81 V87 P91 L175 K571	V72-Y89 HydrophobicContact CG1-CD1 3.86Å; V72-Y89 HydrophobicContact CG1-CD2 4.47Å; V72-Y89 HydrophobicContact CG1-CE1 3.4Å; V72-Y89 VanDerWaalsContact CG1-CE1 3.4Å; V72-Y89 HydrophobicContact CG1-CE2 4.09Å; V72-Y89 HydrophobicContact CG1-CG 4.36Å; E74-Y89 WeakPolarHBondContact OE2-CE2 3.42Å; E74-Y89 PolarHBondContact OE2-OH 3.29Å; F81-Y89 HydrophobicContact CZ-CG 4.24Å; V87-Y89 PolarHBondContact O-N 2.93Å; Y89-P91 HydrophobicContact CD1-CG 4.21Å; Y89-P91 HydrophobicContact CE1-CB 4.42Å; Y89-P91 HydrophobicContact CE1-CG 3.58Å; Y89-L175 HydrophobicContact CD2-CD2 3.74Å; Y89-L175 HydrophobicContact CE2-CD2 3.67Å; Y89-K571 WeakPolarHBondContact O-CD 3.45Å; Y89-K571 PolarHBondContact O-NZ 3.12Å
90	N	77.9	Confident	78.5	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.032	17%	0.174	C	C	.	.			trans	-121.9	106.2	176.3	-168.7	6.8	0	0	0	110.6	F88 V92 Q93 R97	F88-N90 HydrophobicContact CE1-CB 3.95Å; F88-N90 HydrophobicContact CE2-CB 4.47Å; F88-N90 HydrophobicContact CZ-CB 3.84Å; N90-V92 PolarHBondContact O-N 2.65Å; N90-V92 WeakPolarHBondContact OD1-CB 3.39Å; N90-V92 VanDerWaalsContact OD1-CG2 3.31Å; N90-V92 WeakPolarHBondContact OD1-CG2 2.93Å; N90-V92 PolarHBondContact OD1-N 3.06Å; N90-Q93 HydrophobicContact CB-CG 4.17Å; N90-Q93 WeakPolarHBondContact O-CB 3.33Å; N90-Q93 PolarHBondContact O-N 2.79Å; N90-R97 PolarHBondContact O-NH2 3.18Å
91	P	79.8	Confident	78.9	Confident	42 Å²	42	31.9 Å²	31.9	27%	0.273	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-56.6	-28.5	175.4	-23.7	30.8	0	0	0	113.5	Y89 Q93 E94	Y89-P91 HydrophobicContact CD1-CG 4.21Å; Y89-P91 HydrophobicContact CE1-CB 4.42Å; Y89-P91 HydrophobicContact CE1-CG 3.58Å; P91-Q93 PolarHBondContact O-N 3.27Å; P91-E94 WeakPolarHBondContact O-CB 3.24Å; P91-E94 PolarHBondContact O-N 3.4Å
92	V	81.8	Confident	79.8	Confident	6 Å²	6	31.6 Å²	31.6	4%	0.036	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-59.1	-23.2	177.2	-175	0	0	0	0	112.6	N90 D329 W568	N90-V92 PolarHBondContact O-N 2.65Å; N90-V92 WeakPolarHBondContact OD1-CB 3.39Å; N90-V92 VanDerWaalsContact OD1-CG2 3.31Å; N90-V92 WeakPolarHBondContact OD1-CG2 2.93Å; N90-V92 PolarHBondContact OD1-N 3.06Å; V92-D329 HydrophobicContact CG1-CB 4.41Å; V92-W568 HydrophobicContact CB-CH2 4.12Å; V92-W568 HydrophobicContact CB-CZ2 3.86Å; V92-W568 HydrophobicContact CG1-CH2 4.46Å; V92-W568 HydrophobicContact CG1-CZ2 3.71Å; V92-W568 HydrophobicContact CG2-CD2 3.54Å; V92-W568 HydrophobicContact CG2-CE3 3.66Å; V92-W568 HydrophobicContact CG2-CG 4.19Å; V92-W568 HydrophobicContact CG2-CH2 3.85Å; V92-W568 HydrophobicContact CG2-CZ2 3.72Å; V92-W568 HydrophobicContact CG2-CZ3 3.81Å
93	Q	88.3	Confident	81.2	Confident	20 Å²	20	29.5 Å²	29.5	9%	0.093	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-89.3	2.8	-178.4	-67.3	-69.5	-21.1	0	0	113.5	N90 P91 F95 N96 R97	N90-Q93 HydrophobicContact CB-CG 4.17Å; N90-Q93 WeakPolarHBondContact O-CB 3.33Å; N90-Q93 PolarHBondContact O-N 2.79Å; P91-Q93 PolarHBondContact O-N 3.27Å; Q93-F95 VanDerWaalsContact C-N 3.31Å; Q93-F95 PolarHBondContact O-N 3.37Å; Q93-N96 WeakPolarHBondContact O-CB 3.42Å; Q93-N96 PolarHBondContact O-N 3.18Å; Q93-N96 VanDerWaalsContact O-N 3.1Å; Q93-N96 VanDerWaalsContact OE1-CB 3.23Å; Q93-N96 PolarHBondContact OE1-ND2 3.33Å; Q93-R97 VanDerWaalsContact C-NH2 3.32Å; Q93-R97 PolarHBondContact O-N 3.22Å
94	E	93.6	Very high	82.8	Confident	57 Å²	57	25.9 Å²	25.9	27%	0.266	14%	0.14	S	C	.	.	H	α-helix	trans	-57.4	-45.1	176.3	-176.7	179.8	-173.1	0	0	111	E74 P91 N96 R97 D98 T433	E74-E94 HydrophobicContact CG-CB 4.46Å; E74-E94 HydrophobicContact CG-CG 3.87Å; P91-E94 WeakPolarHBondContact O-CB 3.24Å; P91-E94 PolarHBondContact O-N 3.4Å; E94-N96 VanDerWaalsContact C-N 3.28Å; E94-N96 PolarHBondContact O-N 3.42Å; E94-R97 PolarHBondContact O-N 2.81Å; E94-R97 VanDerWaalsContact O-N 3.11Å; E94-D98 WeakPolarHBondContact O-CB 3.36Å; E94-D98 PolarHBondContact O-N 3.06Å; E94-T433 HydrophobicContact CB-CG2 4.43Å; E94-T433 HydrophobicContact CG-CG2 4Å
95	F	95	Very high	85	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-39.4	175	172.5	-110.7	0	0	0	112.9	Q93 L99 I326 A328 Y331 T433 R436 I437 M440	Q93-F95 VanDerWaalsContact C-N 3.31Å; Q93-F95 PolarHBondContact O-N 3.37Å; F95-L99 HydrophobicContact CE1-CD2 4.48Å; F95-L99 HydrophobicContact CZ-CD2 4.22Å; F95-L99 WeakPolarHBondContact O-CB 3.43Å; F95-L99 PolarHBondContact O-N 3Å; F95-I326 HydrophobicContact CE1-CG2 4.2Å; F95-A328 HydrophobicContact CD1-CB 4.08Å; F95-A328 HydrophobicContact CE1-CB 3.76Å; F95-Y331 VanDerWaalsContact CD1-OH 3.31Å; F95-Y331 WeakPolarHBondContact CD1-OH 3.45Å; F95-T433 HydrophobicContact CB-CG2 4.19Å; F95-R436 HydrophobicContact CD2-CB 4.17Å; F95-R436 HydrophobicContact CD2-CG 3.7Å; F95-R436 HydrophobicContact CE2-CB 4.34Å; F95-R436 HydrophobicContact CE2-CG 3.75Å; F95-R436 HydrophobicContact CG-CG 4.35Å; F95-R436 HydrophobicContact CZ-CG 4.45Å; F95-I437 HydrophobicContact CD2-CG1 3.89Å; F95-I437 HydrophobicContact CE2-CB 4.38Å; F95-I437 HydrophobicContact CE2-CG1 3.59Å; F95-M440 HydrophobicContact CZ-CB 4.19Å; F95-M440 HydrophobicContact CZ-CE 4.42Å; F95-M440 HydrophobicContact CZ-CG 4.14Å
96	N	96.2	Very high	87.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65	-43.9	177.4	-169.3	-7	0	0	0	111.1	Q93 E94 T100 R176 T268 Y331 R333	Q93-N96 WeakPolarHBondContact O-CB 3.42Å; Q93-N96 PolarHBondContact O-N 3.18Å; Q93-N96 VanDerWaalsContact O-N 3.1Å; Q93-N96 VanDerWaalsContact OE1-CB 3.23Å; Q93-N96 PolarHBondContact OE1-ND2 3.33Å; E94-N96 VanDerWaalsContact C-N 3.28Å; E94-N96 PolarHBondContact O-N 3.42Å; N96-T100 VanDerWaalsContact O-CB 3.31Å; N96-T100 WeakPolarHBondContact O-CB 3.45Å; N96-T100 PolarHBondContact O-N 3.15Å; N96-T100 PolarHBondContact O-OG1 3.49Å; N96-T100 PolarHBondContact OD1-OG1 3.28Å; N96-R176 PolarHBondContact ND2-NH2 3.48Å; N96-T268 PolarHBondContact ND2-OG1 3.37Å; N96-Y331 HydrophobicContact CB-CE2 4.13Å; N96-Y331 WeakPolarHBondContact CB-OH 3.17Å; N96-R333 PolarHBondContact OD1-NE 3.3Å
97	R	96.7	Very high	89.4	Confident	19 Å²	19	14.1 Å²	14.1	7%	0.072	7%	0.069	C	C	.	.	H	α-helix	trans	-69.3	-45.7	-179.7	-72.3	-177.2	-73.2	-87.5	-2	111.7	E74 N90 Q93 E94 L99 T100 C101 R176 R179	E74-R97 WeakPolarHBondContact OE1-CD 3.4Å; E74-R97 IonicContact OE1-CZ 3.92Å; E74-R97 IonicContact OE1-NE 3.2Å; E74-R97 PolarHBondContact OE1-NE 3.4Å; E74-R97 IonicContact OE1-NH2 2.9Å; E74-R97 IonicContact OE2-CZ 3.97Å; E74-R97 IonicContact OE2-NE 3.97Å; E74-R97 PolarHBondContact OE2-NE 2.9Å; E74-R97 IonicContact OE2-NH2 2.88Å; E74-R97 PolarHBondContact OE2-NH2 3.17Å; N90-R97 PolarHBondContact O-NH2 3.18Å; Q93-R97 VanDerWaalsContact C-NH2 3.32Å; Q93-R97 PolarHBondContact O-N 3.22Å; E94-R97 PolarHBondContact O-N 2.81Å; E94-R97 VanDerWaalsContact O-N 3.11Å; R97-L99 PolarHBondContact O-N 2.75Å; R97-T100 PolarHBondContact O-N 3.37Å; R97-C101 PolarHBondContact O-N 3.04Å; R97-C101 PolarHBondContact O-SG 2.81Å; R97-R176 HydrophobicContact CG-CB 4.34Å; R97-R176 HydrophobicContact CG-CG 4.49Å; R97-R179 VanDerWaalsContact CB-NH1 3.3Å
98	D	97.8	Very high	91.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.6	-50.4	174.8	-71.6	-0.5	0	0	0	111.3	E94 T100 C101 A102 R179 F431 G432 T433 I437	E94-D98 WeakPolarHBondContact O-CB 3.36Å; E94-D98 PolarHBondContact O-N 3.06Å; D98-T100 VanDerWaalsContact C-N 3.28Å; D98-T100 PolarHBondContact O-N 2.84Å; D98-C101 PolarHBondContact O-N 3.18Å; D98-A102 PolarHBondContact O-N 2.88Å; D98-R179 IonicContact OD1-CZ 3.99Å; D98-R179 IonicContact OD1-NH1 3.91Å; D98-R179 PolarHBondContact OD1-NH1 3.25Å; D98-R179 IonicContact OD1-NH2 3.96Å; D98-R179 PolarHBondContact OD1-NH2 3.5Å; D98-F431 HydrophobicContact CB-CB 4.03Å; D98-F431 HydrophobicContact CB-CD1 4.08Å; D98-F431 HydrophobicContact CB-CG 4.07Å; D98-G432 PolarHBondContact OD2-N 2.89Å; D98-T433 VanDerWaalsContact CB-OG1 3.27Å; D98-T433 WeakPolarHBondContact CB-OG1 2.99Å; D98-T433 VanDerWaalsContact CG-OG1 3.29Å; D98-T433 VanDerWaalsContact OD2-CB 3.29Å; D98-T433 WeakPolarHBondContact OD2-CB 3.22Å; D98-T433 WeakPolarHBondContact OD2-CG2 3.47Å; D98-T433 PolarHBondContact OD2-N 3.13Å; D98-T433 PolarHBondContact OD2-OG1 2.94Å; D98-I437 HydrophobicContact CB-CD1 3.77Å
99	L	98.4	Very high	93.1	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-39.7	178.2	179.7	63.3	0	0	0	111.4	F95 R97 A102 V103 L324 I326 F335 I437 L441	F95-L99 HydrophobicContact CE1-CD2 4.48Å; F95-L99 HydrophobicContact CZ-CD2 4.22Å; F95-L99 WeakPolarHBondContact O-CB 3.43Å; F95-L99 PolarHBondContact O-N 3Å; R97-L99 PolarHBondContact O-N 2.75Å; L99-A102 PolarHBondContact O-N 3.23Å; L99-V103 HydrophobicContact CD1-CG2 4.23Å; L99-V103 HydrophobicContact CG-CG2 4.43Å; L99-V103 WeakPolarHBondContact O-CB 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.42Å; L99-V103 PolarHBondContact O-N 3.02Å; L99-L324 HydrophobicContact CD1-CD2 4.03Å; L99-L324 HydrophobicContact CD2-CD2 4.26Å; L99-L324 HydrophobicContact CG-CD2 4.45Å; L99-I326 HydrophobicContact CD2-CG1 3.97Å; L99-F335 HydrophobicContact CD2-CE2 4.02Å; L99-F335 HydrophobicContact CD2-CZ 4.37Å; L99-F335 HydrophobicContact CG-CE2 4.24Å; L99-F335 HydrophobicContact CG-CZ 4.23Å; L99-I437 HydrophobicContact CD1-CG2 4.12Å; L99-L441 HydrophobicContact CD1-CD1 4.5Å; L99-L441 HydrophobicContact CD1-CD2 4.35Å
100	T	98.4	Very high	94.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.5	-43.4	177.5	-58.7	0	0	0	0	111.2	N96 R97 D98 A102 V103 I104 R176 F180 D241 R333 F335	N96-T100 VanDerWaalsContact O-CB 3.31Å; N96-T100 WeakPolarHBondContact O-CB 3.45Å; N96-T100 PolarHBondContact O-N 3.15Å; N96-T100 PolarHBondContact O-OG1 3.49Å; N96-T100 PolarHBondContact OD1-OG1 3.28Å; R97-T100 PolarHBondContact O-N 3.37Å; D98-T100 VanDerWaalsContact C-N 3.28Å; D98-T100 PolarHBondContact O-N 2.84Å; T100-A102 VanDerWaalsContact C-N 3.33Å; T100-A102 PolarHBondContact O-N 3.48Å; T100-V103 PolarHBondContact O-N 3.36Å; T100-I104 HydrophobicContact CG2-CD1 3.66Å; T100-I104 HydrophobicContact CG2-CG1 4.18Å; T100-I104 WeakPolarHBondContact O-CB 3.44Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.23Å; T100-R176 PolarHBondContact OG1-NH1 3.22Å; T100-F180 HydrophobicContact CG2-CE1 3.73Å; T100-F180 HydrophobicContact CG2-CZ 3.65Å; T100-D241 WeakPolarHBondContact CG2-OD2 3.48Å; T100-R333 PolarHBondContact OG1-NH2 3.46Å; T100-F335 HydrophobicContact CG2-CE1 4.26Å
101	C	98.4	Very high	95	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59	-43.3	173.7	-72.3	0	0	0	0	111.8	R97 D98 T105 V184 F431	R97-C101 PolarHBondContact O-N 3.04Å; R97-C101 PolarHBondContact O-SG 2.81Å; D98-C101 PolarHBondContact O-N 3.18Å; C101-T105 WeakPolarHBondContact O-CB 3.16Å; C101-T105 PolarHBondContact O-N 3.45Å; C101-T105 PolarHBondContact O-OG1 3.34Å; C101-V184 HydrophobicContact CB-CG2 4.24Å; C101-F431 HydrophobicContact CB-CE1 3.66Å; C101-F431 HydrophobicContact CB-CZ 3.78Å
102	A	98.3	Very high	95.8	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.008	5%	0.045	C	C	.	.	H	α-helix	trans	-61.9	-49.5	177.2	0	0	0	0	0	111.8	D98 L99 T100 T105 E106 V420 V424 F431	D98-A102 PolarHBondContact O-N 2.88Å; L99-A102 PolarHBondContact O-N 3.23Å; T100-A102 VanDerWaalsContact C-N 3.33Å; T100-A102 PolarHBondContact O-N 3.48Å; A102-T105 WeakPolarHBondContact O-CB 3.36Å; A102-T105 PolarHBondContact O-N 3.12Å; A102-E106 PolarHBondContact O-N 3.45Å; A102-E106 VanDerWaalsContact O-N 3.09Å; A102-V420 HydrophobicContact CB-CG1 3.99Å; A102-V424 HydrophobicContact CB-CG2 3.89Å; A102-F431 HydrophobicContact CB-CE2 3.82Å; A102-F431 HydrophobicContact CB-CZ 4.26Å
103	V	98.7	Very high	96.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.8	-45.3	179.1	168.6	0	0	0	0	112	L99 T100 T105 E106 F107 L264 L324 F335 F416 V420	L99-V103 HydrophobicContact CD1-CG2 4.23Å; L99-V103 HydrophobicContact CG-CG2 4.43Å; L99-V103 WeakPolarHBondContact O-CB 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.42Å; L99-V103 PolarHBondContact O-N 3.02Å; T100-V103 PolarHBondContact O-N 3.36Å; V103-T105 PolarHBondContact O-N 3.4Å; V103-E106 PolarHBondContact O-N 3.09Å; V103-F107 WeakPolarHBondContact O-CB 3.24Å; V103-F107 PolarHBondContact O-N 3.24Å; V103-L264 HydrophobicContact CG1-CD2 4.11Å; V103-L324 HydrophobicContact CG2-CD2 4.04Å; V103-F335 HydrophobicContact CB-CD1 4.17Å; V103-F335 HydrophobicContact CB-CE1 4.08Å; V103-F335 HydrophobicContact CB-CZ 4.47Å; V103-F335 HydrophobicContact CG1-CB 4.27Å; V103-F335 HydrophobicContact CG1-CD1 3.57Å; V103-F335 HydrophobicContact CG1-CE1 4Å; V103-F335 HydrophobicContact CG1-CG 3.94Å; V103-F335 HydrophobicContact CG2-CD1 4.41Å; V103-F335 HydrophobicContact CG2-CD2 4.42Å; V103-F335 HydrophobicContact CG2-CE1 4.27Å; V103-F335 HydrophobicContact CG2-CE2 4.29Å; V103-F335 HydrophobicContact CG2-CG 4.47Å; V103-F335 HydrophobicContact CG2-CZ 4.2Å; V103-F416 HydrophobicContact CG1-CE1 3.92Å; V103-F416 HydrophobicContact CG1-CZ 4Å; V103-F416 HydrophobicContact CG2-CE1 4.49Å; V103-V420 HydrophobicContact CG2-CG1 4.47Å; V103-V420 HydrophobicContact CG2-CG2 4.37Å
104	I	98.7	Very high	96.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-35.1	177.7	-65.2	172.5	0	0	0	110.5	T100 F107 A108 L164 F180 V184 V239 L264	T100-I104 HydrophobicContact CG2-CD1 3.66Å; T100-I104 HydrophobicContact CG2-CG1 4.18Å; T100-I104 WeakPolarHBondContact O-CB 3.44Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 3.41Å; T100-I104 PolarHBondContact O-N 3.23Å; I104-F107 PolarHBondContact O-N 3.12Å; I104-A108 VanDerWaalsContact O-CB 3.28Å; I104-A108 WeakPolarHBondContact O-CB 2.99Å; I104-A108 PolarHBondContact O-N 3.32Å; I104-L164 HydrophobicContact CG2-CD1 4.43Å; I104-F180 HydrophobicContact CD1-CD1 4.22Å; I104-F180 HydrophobicContact CD1-CE1 3.71Å; I104-F180 HydrophobicContact CD1-CE2 4.14Å; I104-F180 HydrophobicContact CD1-CZ 3.64Å; I104-V184 HydrophobicContact CB-CG1 4.39Å; I104-V184 HydrophobicContact CB-CG2 4.42Å; I104-V184 HydrophobicContact CG2-CG1 3.59Å; I104-V184 HydrophobicContact CG2-CG2 4.35Å; I104-V239 HydrophobicContact CD1-CG1 3.92Å; I104-V239 HydrophobicContact CG1-CG1 4.07Å; I104-V239 HydrophobicContact CG2-CG2 4.33Å; I104-L264 HydrophobicContact CG1-CD2 4.05Å
105	T	98	Very high	96.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-44.8	178.2	-58.1	0	0	0	0	112.1	C101 A102 V103 A108 R109 V121 P185 R430	C101-T105 WeakPolarHBondContact O-CB 3.16Å; C101-T105 PolarHBondContact O-N 3.45Å; C101-T105 PolarHBondContact O-OG1 3.34Å; A102-T105 WeakPolarHBondContact O-CB 3.36Å; A102-T105 PolarHBondContact O-N 3.12Å; V103-T105 PolarHBondContact O-N 3.4Å; T105-A108 WeakPolarHBondContact O-CB 3.3Å; T105-A108 PolarHBondContact O-N 2.94Å; T105-R109 PolarHBondContact O-N 3.26Å; T105-V121 HydrophobicContact CG2-CG2 3.47Å; T105-V121 VanDerWaalsContact CG2-CG2 3.47Å; T105-P185 HydrophobicContact CG2-CG 4.16Å; T105-R430 PolarHBondContact OG1-NH2 2.77Å
106	E	97.8	Very high	95.9	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.023	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-40.9	174.7	-65.5	-39.4	122.7	0	0	112.1	A102 V103 A108 R109 D110 F416 K419 V420 A423	A102-E106 PolarHBondContact O-N 3.45Å; A102-E106 VanDerWaalsContact O-N 3.09Å; V103-E106 PolarHBondContact O-N 3.09Å; E106-A108 VanDerWaalsContact C-N 3.29Å; E106-A108 PolarHBondContact O-N 3.23Å; E106-R109 WeakPolarHBondContact O-CB 3.37Å; E106-R109 PolarHBondContact O-N 2.72Å; E106-R109 VanDerWaalsContact O-N 3.16Å; E106-R109 IonicContact OE1-CZ 2.79Å; E106-R109 IonicContact OE1-NH1 2.87Å; E106-R109 PolarHBondContact OE1-NH1 3.46Å; E106-R109 IonicContact OE1-NH2 3.86Å; E106-R109 IonicContact OE2-CZ 3.33Å; E106-R109 IonicContact OE2-NE 2.74Å; E106-R109 IonicContact OE2-NH1 2.81Å; E106-R109 PolarHBondContact OE2-NH1 3.44Å; E106-D110 PolarHBondContact O-N 3.22Å; E106-F416 HydrophobicContact CB-CE2 3.89Å; E106-F416 HydrophobicContact CB-CZ 3.92Å; E106-K419 HydrophobicContact CG-CB 4.49Å; E106-V420 HydrophobicContact CB-CG2 3.92Å; E106-V420 HydrophobicContact CG-CB 4.06Å; E106-V420 HydrophobicContact CG-CG2 3.46Å; E106-V420 VanDerWaalsContact CG-CG2 3.46Å; E106-A423 WeakPolarHBondContact OE1-CB 3.29Å
107	F	98.3	Very high	95.7	Very high	3 Å²	3	21 Å²	21	1%	0.013	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-41.5	173.2	172.4	-101.6	0	0	0	111.9	V103 I104 R109 D110 V111 L164 V239 L264 F416	V103-F107 WeakPolarHBondContact O-CB 3.24Å; V103-F107 PolarHBondContact O-N 3.24Å; I104-F107 PolarHBondContact O-N 3.12Å; F107-R109 VanDerWaalsContact C-N 3.35Å; F107-D110 PolarHBondContact O-N 3.37Å; F107-V111 HydrophobicContact CD2-CG2 3.95Å; F107-V111 HydrophobicContact CE1-CG2 4.14Å; F107-V111 HydrophobicContact CE2-CG2 3.45Å; F107-V111 VanDerWaalsContact CE2-CG2 3.45Å; F107-V111 HydrophobicContact CG-CG2 4.5Å; F107-V111 HydrophobicContact CZ-CB 4.48Å; F107-V111 HydrophobicContact CZ-CG2 3.56Å; F107-V111 WeakPolarHBondContact O-CB 3.21Å; F107-V111 WeakPolarHBondContact O-CG2 3.44Å; F107-V111 PolarHBondContact O-N 3.21Å; F107-L164 HydrophobicContact CD1-CD1 3.99Å; F107-L164 HydrophobicContact CE1-CD1 4.12Å; F107-L164 HydrophobicContact CE1-CD2 4.21Å; F107-V239 HydrophobicContact CD1-CG2 3.9Å; F107-V239 HydrophobicContact CE1-CG2 3.67Å; F107-L264 HydrophobicContact CB-CD2 4Å; F107-L264 HydrophobicContact CD1-CB 4.06Å; F107-L264 HydrophobicContact CD1-CD2 4.09Å; F107-L264 HydrophobicContact CD2-CB 4.04Å; F107-L264 HydrophobicContact CD2-CD2 4.47Å; F107-L264 HydrophobicContact CE1-CB 3.94Å; F107-L264 HydrophobicContact CE2-CB 3.91Å; F107-L264 HydrophobicContact CG-CB 4.1Å; F107-L264 HydrophobicContact CG-CD2 3.93Å; F107-L264 HydrophobicContact CZ-CB 3.85Å; F107-F416 HydrophobicContact CB-CE2 4.47Å; F107-F416 HydrophobicContact CB-CZ 4.43Å
108	A	97.7	Very high	95.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-42.1	175.4	0	0	0	0	0	111.2	I104 T105 E106 L112 V119 L164	I104-A108 VanDerWaalsContact O-CB 3.28Å; I104-A108 WeakPolarHBondContact O-CB 2.99Å; I104-A108 PolarHBondContact O-N 3.32Å; T105-A108 WeakPolarHBondContact O-CB 3.3Å; T105-A108 PolarHBondContact O-N 2.94Å; E106-A108 VanDerWaalsContact C-N 3.29Å; E106-A108 PolarHBondContact O-N 3.23Å; A108-L112 HydrophobicContact CB-CD1 4.14Å; A108-L112 WeakPolarHBondContact O-CA 3.4Å; A108-L112 WeakPolarHBondContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CG 3.23Å; A108-L112 PolarHBondContact O-N 3.16Å; A108-V119 HydrophobicContact CB-CG2 4.49Å; A108-L164 HydrophobicContact CB-CD1 3.59Å; A108-L164 HydrophobicContact CB-CG 4.43Å
109	R	95.1	Very high	95.3	Very high	25 Å²	25	24.3 Å²	24.3	9%	0.094	13%	0.126	C	C	.	.	H	α-helix	trans	-57.8	-50.7	174.6	-72.5	-179.9	-170.8	145.2	12.6	111.6	T105 E106 F107 A113 V119 E124	T105-R109 PolarHBondContact O-N 3.26Å; E106-R109 WeakPolarHBondContact O-CB 3.37Å; E106-R109 PolarHBondContact O-N 2.72Å; E106-R109 VanDerWaalsContact O-N 3.16Å; E106-R109 IonicContact OE1-CZ 2.79Å; E106-R109 IonicContact OE1-NH1 2.87Å; E106-R109 PolarHBondContact OE1-NH1 3.46Å; E106-R109 IonicContact OE1-NH2 3.86Å; E106-R109 IonicContact OE2-CZ 3.33Å; E106-R109 IonicContact OE2-NE 2.74Å; E106-R109 IonicContact OE2-NH1 2.81Å; E106-R109 PolarHBondContact OE2-NH1 3.44Å; F107-R109 VanDerWaalsContact C-N 3.35Å; R109-A113 WeakPolarHBondContact O-CB 3.46Å; R109-A113 PolarHBondContact O-N 3.48Å; R109-A113 VanDerWaalsContact O-N 3.13Å; R109-V119 HydrophobicContact CG-CB 3.86Å; R109-V119 HydrophobicContact CG-CG1 3.88Å; R109-V119 HydrophobicContact CG-CG2 4.43Å; R109-E124 IonicContact CZ-OE1 2.65Å; R109-E124 IonicContact CZ-OE2 2.71Å; R109-E124 IonicContact NH1-OE2 3.49Å; R109-E124 IonicContact NH2-OE1 3.78Å; R109-E124 PolarHBondContact NH2-OE1 2.97Å; R109-E124 IonicContact NH2-OE2 3.39Å; R109-E124 PolarHBondContact NH2-OE2 3.43Å
110	D	93.9	Very high	94.9	Very high	44 Å²	44	26 Å²	26	24%	0.235	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-44.3	-176.9	-76.3	-14.3	0	0	0	111.9	E106 F107 K419	E106-D110 PolarHBondContact O-N 3.22Å; F107-D110 PolarHBondContact O-N 3.37Å; D110-K419 IonicContact OD1-NZ 2.83Å; D110-K419 PolarHBondContact OD1-NZ 2.92Å; D110-K419 IonicContact OD2-NZ 3.16Å; D110-K419 PolarHBondContact OD2-NZ 3.44Å
111	V	94.9	Very high	94.5	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-79.3	-41	-176.5	173.7	0	0	0	0	112.6	F107 Q114 L164	F107-V111 HydrophobicContact CD2-CG2 3.95Å; F107-V111 HydrophobicContact CE1-CG2 4.14Å; F107-V111 HydrophobicContact CE2-CG2 3.45Å; F107-V111 VanDerWaalsContact CE2-CG2 3.45Å; F107-V111 HydrophobicContact CG-CG2 4.5Å; F107-V111 HydrophobicContact CZ-CB 4.48Å; F107-V111 HydrophobicContact CZ-CG2 3.56Å; F107-V111 WeakPolarHBondContact O-CB 3.21Å; F107-V111 WeakPolarHBondContact O-CG2 3.44Å; F107-V111 PolarHBondContact O-N 3.21Å; V111-Q114 WeakPolarHBondContact O-CB 3.46Å; V111-Q114 PolarHBondContact O-N 3.15Å; V111-L164 HydrophobicContact CG1-CD2 4.23Å
112	L	95.2	Very high	93.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-77.2	-25.6	-175.4	-62.8	-177	0	0	0	112.3	A108 Q114 R115 G116 V117 V119 L164	A108-L112 HydrophobicContact CB-CD1 4.14Å; A108-L112 WeakPolarHBondContact O-CA 3.4Å; A108-L112 WeakPolarHBondContact O-CB 3.31Å; A108-L112 WeakPolarHBondContact O-CG 3.23Å; A108-L112 PolarHBondContact O-N 3.16Å; L112-Q114 VanDerWaalsContact C-N 3.26Å; L112-Q114 PolarHBondContact O-N 2.9Å; L112-R115 CarbonylContact O-C 3.45Å; L112-R115 WeakPolarHBondContact O-CA 3.36Å; L112-R115 WeakPolarHBondContact O-CB 3.43Å; L112-R115 PolarHBondContact O-N 3.36Å; L112-G116 PolarHBondContact O-N 3.26Å; L112-V117 CarbonylContact C-O 3.56Å; L112-V117 HydrophobicContact CB-CB 4.03Å; L112-V117 HydrophobicContact CB-CG1 4.29Å; L112-V117 HydrophobicContact CD1-CG1 4.43Å; L112-V117 PolarHBondContact O-N 3.48Å; L112-V119 HydrophobicContact CB-CG2 4.09Å; L112-V119 HydrophobicContact CD1-CG2 3.82Å; L112-L164 HydrophobicContact CD1-CG 4.35Å; L112-L164 HydrophobicContact CD2-CD2 3.85Å; L112-L164 HydrophobicContact CD2-CG 4.25Å; L112-L164 HydrophobicContact CG-CD2 4.22Å; L112-L164 HydrophobicContact CG-CG 4.38Å
113	A	91.4	Very high	93	Very high	41 Å²	41	33 Å²	33	34%	0.339	19%	0.193	S	C	.	.	H	α-helix	trans	-57.1	-41.9	169.1	0	0	0	0	0	111.5	R109 R115 G116	R109-A113 WeakPolarHBondContact O-CB 3.46Å; R109-A113 PolarHBondContact O-N 3.48Å; R109-A113 VanDerWaalsContact O-N 3.13Å; A113-R115 PolarHBondContact O-N 2.89Å; A113-G116 PolarHBondContact O-N 3.03Å
114	Q	89.3	Confident	92.3	Very high	160 Å²	160	34.9 Å²	34.9	75%	0.748	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.2	175.5	-58.6	174.3	10.3	0	0	113	V111 L112	V111-Q114 WeakPolarHBondContact O-CB 3.46Å; V111-Q114 PolarHBondContact O-N 3.15Å; L112-Q114 VanDerWaalsContact C-N 3.26Å; L112-Q114 PolarHBondContact O-N 2.9Å
115	R	90.9	Very high	90.9	Very high	95 Å²	95	44.1 Å²	44.1	36%	0.358	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	8.1	174.8	-56.6	-177.3	-169.4	-179.1	-1.5	112.5	L112 A113 V117 N162 G163 D238	L112-R115 CarbonylContact O-C 3.45Å; L112-R115 WeakPolarHBondContact O-CA 3.36Å; L112-R115 WeakPolarHBondContact O-CB 3.43Å; L112-R115 PolarHBondContact O-N 3.36Å; A113-R115 PolarHBondContact O-N 2.89Å; R115-V117 VanDerWaalsContact C-N 3.3Å; R115-V117 PolarHBondContact O-N 2.96Å; R115-N162 WeakPolarHBondContact CD-O 3.34Å; R115-N162 PolarHBondContact NH1-O 3.16Å; R115-G163 PolarHBondContact NH1-O 3.07Å; R115-D238 IonicContact CZ-OD1 2.87Å; R115-D238 IonicContact NH1-OD2 3.53Å; R115-D238 IonicContact NH2-OD1 3.21Å; R115-D238 PolarHBondContact NH2-OD1 2.82Å; R115-D238 IonicContact NH2-OD2 2.85Å
116	G	90.3	Very high	89.1	Confident	30 Å²	30	49.5 Å²	49.5	31%	0.309	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	21.5	-178.8	0	0	0	0	0	114.3	L112 A113 P150 K151	L112-G116 PolarHBondContact O-N 3.26Å; A113-G116 PolarHBondContact O-N 3.03Å; G116-P150 CarbonylContact O-C 3.4Å; G116-K151 PolarHBondContact O-N 3.42Å; G116-K151 VanDerWaalsContact O-N 3.15Å
117	V	92	Very high	87.4	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.5	-178.3	176	0	0	0	0	109.8	L112 R115 V152 A154 N162	L112-V117 CarbonylContact C-O 3.56Å; L112-V117 HydrophobicContact CB-CB 4.03Å; L112-V117 HydrophobicContact CB-CG1 4.29Å; L112-V117 HydrophobicContact CD1-CG1 4.43Å; L112-V117 PolarHBondContact O-N 3.48Å; R115-V117 VanDerWaalsContact C-N 3.3Å; R115-V117 PolarHBondContact O-N 2.96Å; V117-V152 CarbonylContact C-O 3.4Å; V117-V152 WeakPolarHBondContact CA-O 3.39Å; V117-V152 HydrophobicContact CG2-CB 4.31Å; V117-A154 HydrophobicContact CG1-CB 3.65Å; V117-N162 HydrophobicContact CG2-CB 4.46Å
118	K	92.4	Very high	84.9	Confident	68 Å²	68	59.8 Å²	59.8	30%	0.296	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.4	173.6	-175.8	178.9	175.2	-171.3	0	109.9	D126 P150 V152 T153 A154	K118-D126 WeakPolarHBondContact CE-OD1 3.09Å; K118-D126 IonicContact NZ-OD1 3.85Å; K118-D126 PolarHBondContact NZ-OD1 2.99Å; K118-D126 IonicContact NZ-OD2 2.84Å; K118-P150 HydrophobicContact CB-CB 3.84Å; K118-P150 HydrophobicContact CB-CG 3.84Å; K118-P150 HydrophobicContact CD-CG 4.34Å; K118-V152 PolarHBondContact N-O 2.71Å; K118-T153 CarbonylContact O-C 3.58Å; K118-T153 WeakPolarHBondContact O-CA 3.34Å; K118-A154 PolarHBondContact O-N 3.45Å
119	V	92.8	Very high	82.5	Confident	19 Å²	19	64.1 Å²	64.1	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.9	177.9	171.1	0	0	0	0	110.2	A108 R109 L112 V121 P185	A108-V119 HydrophobicContact CB-CG2 4.49Å; R109-V119 HydrophobicContact CG-CB 3.86Å; R109-V119 HydrophobicContact CG-CG1 3.88Å; R109-V119 HydrophobicContact CG-CG2 4.43Å; L112-V119 HydrophobicContact CB-CG2 4.09Å; L112-V119 HydrophobicContact CD1-CG2 3.82Å; V119-V121 HydrophobicContact CG1-CG2 4.34Å; V119-P185 HydrophobicContact CG1-CB 3.9Å; V119-P185 HydrophobicContact CG1-CG 3.25Å
120	L	90.2	Very high	79.6	Confident	39 Å²	39	68.1 Å²	68.1	20%	0.204	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-103.9	126.3	173	-72	-177.5	0	0	0	111.3	D126 T153 A154	L120-D126 WeakPolarHBondContact CD2-OD1 3.38Å; L120-T153 HydrophobicContact CB-CG2 4.35Å; L120-T153 HydrophobicContact CD1-CG2 3.25Å; L120-T153 HydrophobicContact CG-CG2 3.52Å; L120-A154 PolarHBondContact N-O 3.44Å
121	V	89.4	Confident	76.8	Confident	11 Å²	11	70.9 Å²	70.9	7%	0.067	40%	0.399	C	S	.	.			trans	-106.7	126.4	175	176.8	0	0	0	0	109.9	T105 V119 G123 E124 P185	T105-V121 HydrophobicContact CG2-CG2 3.47Å; T105-V121 VanDerWaalsContact CG2-CG2 3.47Å; V119-V121 HydrophobicContact CG1-CG2 4.34Å; V121-G123 PolarHBondContact O-N 3.04Å; V121-E124 HydrophobicContact CB-CB 4.48Å; V121-E124 HydrophobicContact CB-CG 4.17Å; V121-E124 HydrophobicContact CG1-CG 4.06Å; V121-E124 WeakPolarHBondContact CG1-OE1 3.42Å; V121-E124 PolarHBondContact O-N 2.83Å; V121-P185 HydrophobicContact CG2-CG 3.98Å
122	P	84.9	Confident	73.8	Confident	70 Å²	70	78.1 Å²	78.1	46%	0.455	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.3	178.1	-25.4	34.1	0	0	0	112.5	V156 N427	P122-V156 HydrophobicContact CG-CG2 4.06Å; P122-N427 PolarHBondContact O-ND2 2.83Å
123	G	81.6	Confident	71	Confident	67 Å²	67	83.2 Å²	83.2	69%	0.691	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	0.3	177.6	0	0	0	0	0	115.1	V121	V121-G123 PolarHBondContact O-N 3.04Å
124	E	83.4	Confident	68.4	Low	38 Å²	38	90.1 Å²	90.1	18%	0.178	50%	0.497	C	S	.	.			trans	-96.6	146.1	170.5	-68	-178.8	-169.2	0	0	111.3	R109 V121 N427 R430	R109-E124 IonicContact CZ-OE1 2.65Å; R109-E124 IonicContact CZ-OE2 2.71Å; R109-E124 IonicContact NH1-OE2 3.49Å; R109-E124 IonicContact NH2-OE1 3.78Å; R109-E124 PolarHBondContact NH2-OE1 2.97Å; R109-E124 IonicContact NH2-OE2 3.39Å; R109-E124 PolarHBondContact NH2-OE2 3.43Å; V121-E124 HydrophobicContact CB-CB 4.48Å; V121-E124 HydrophobicContact CB-CG 4.17Å; V121-E124 HydrophobicContact CG1-CG 4.06Å; V121-E124 WeakPolarHBondContact CG1-OE1 3.42Å; V121-E124 PolarHBondContact O-N 2.83Å; E124-N427 HydrophobicContact CG-CB 3.95Å; E124-R430 IonicContact OE1-NH1 2.63Å
125	K	70.3	Confident	65.8	Low	195 Å²	195	92 Å²	92	85%	0.848	51%	0.506	S	S	*	.			trans	-71.7	148	166.3	-64.2	-176	-178.8	-179.3	0	109.2	R127	K125-R127 PolarHBondContact O-N 3Å
126	D	60	Low	62.9	Low	114 Å²	114	93.5 Å²	93.5	61%	0.61	53%	0.526	S	S	*	.			trans	-52.3	111.7	177.7	-93.7	-45.2	0	0	0	111	K118 L120	K118-D126 WeakPolarHBondContact CE-OD1 3.09Å; K118-D126 IonicContact NZ-OD1 3.85Å; K118-D126 PolarHBondContact NZ-OD1 2.99Å; K118-D126 IonicContact NZ-OD2 2.84Å; L120-D126 WeakPolarHBondContact CD2-OD1 3.38Å
127	R	60.5	Low	60.1	Low	93 Å²	93	99.1 Å²	99.1	35%	0.351	55%	0.549	S	S	.	.			trans	-88.2	112.7	170.2	-64.7	-175.6	179.2	-164.8	-4.3	107.3	K125 V129 E422	K125-R127 PolarHBondContact O-N 3Å; R127-V129 PolarHBondContact O-N 2.76Å; R127-E422 VanDerWaalsContact NH2-C 3.32Å; R127-E422 PolarHBondContact NH2-O 3.19Å
128	V	46.6	Very low	57.2	Low	131 Å²	131	108.6 Å²	108.6	79%	0.794	59%	0.593	S	S	*	*			trans	-71.1	111.4	169.6	-178.9	0	0	0	0	107	V130	V128-V130 HydrophobicContact CG1-CG2 4.43Å; V128-V130 PolarHBondContact O-N 3.2Å
129	V	47.6	Very low	54.4	Low	90 Å²	90	109.8 Å²	109.8	55%	0.545	62%	0.615	S	S	.	*			trans	-77.3	103.2	177	-176.5	0	0	0	0	107.4	R127	R127-V129 PolarHBondContact O-N 2.76Å
130	V	33.8	Very low	51.5	Low	110 Å²	110	117.6 Å²	117.6	67%	0.667	65%	0.651	S	S	*	*			trans	-86.5	111.3	169.1	-177.1	0	0	0	0	107.5	V128 L132	V128-V130 HydrophobicContact CG1-CG2 4.43Å; V128-V130 PolarHBondContact O-N 3.2Å; V130-L132 HydrophobicContact CG1-CD2 4.47Å; V130-L132 HydrophobicContact CG1-CG 4.37Å; V130-L132 PolarHBondContact O-N 3.06Å; V130-L132 VanDerWaalsContact O-N 3.13Å
131	S	34.6	Very low	48.6	Very low	101 Å²	101	122.7 Å²	122.7	71%	0.706	68%	0.675	S	S	*	*			trans	-71.4	101	173.6	-56.7	0	0	0	0	109.6
132	L	32.4	Very low	45.9	Very low	166 Å²	166	126.5 Å²	126.5	87%	0.869	71%	0.708	S	S	*	*			trans	-92.2	92.4	169	-69.5	168.7	0	0	0	108.6	V130	V130-L132 HydrophobicContact CG1-CD2 4.47Å; V130-L132 HydrophobicContact CG1-CG 4.37Å; V130-L132 PolarHBondContact O-N 3.06Å; V130-L132 VanDerWaalsContact O-N 3.13Å
133	S	36.9	Very low	43.4	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	73%	0.728	S	S	*	*			trans	-106	103.2	166	56.3	0	0	0	0	110.1
134	E	37.1	Very low	41.2	Very low	186 Å²	186	138.8 Å²	138.8	87%	0.869	74%	0.738	S	S	*	*			trans	55	124.4	147.2	-61.2	-178	173	0	0	121.2	T136	E134-T136 PolarHBondContact O-N 2.64Å
135	E	34.3	Very low	38.9	Very low	201 Å²	201	144.2 Å²	144.2	94%	0.939	77%	0.768	S	S	*	*			trans	-45.3	108.3	168.7	-62.9	174.9	162	0	0	112.4
136	T	29.9	Very low	37.1	Very low	125 Å²	125	138.1 Å²	138.1	77%	0.767	76%	0.761	S	S	*	*			trans	-136.7	120.2	161.2	-24.9	0	0	0	0	109	E134	E134-T136 PolarHBondContact O-N 2.64Å
137	N	31.7	Very low	36.3	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	77%	0.772	S	S	*	*			trans	-3.4	124.4	176.4	-69.4	-22	0	0	0	118.6	A139	N137-A139 PolarHBondContact O-N 2.83Å
138	E	30.4	Very low	35.8	Very low	201 Å²	201	140.3 Å²	140.3	94%	0.939	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	30.7	-178.9	-64	-179.1	139.7	0	0	116.9
139	A	33.3	Very low	36.2	Very low	93 Å²	93	142.3 Å²	142.3	77%	0.769	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	-0.3	-176.6	0	0	0	0	0	116.3	N137	N137-A139 PolarHBondContact O-N 2.83Å
140	E	33.3	Very low	36.9	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	79%	0.785	S	S	*	*	S	Bend	trans	-128.9	17.6	177.5	-70.8	-172.2	164.1	0	0	114.3	A142	E140-A142 PolarHBondContact O-N 2.93Å
141	M	28.6	Very low	38.7	Very low	145 Å²	145	143.2 Å²	143.2	71%	0.714	78%	0.784	S	S	*	*			trans	-91.1	50.5	-178.7	-88	-172.5	67.3	0	0	114.2
142	A	32.1	Very low	41.1	Very low	92 Å²	92	141.8 Å²	141.8	76%	0.76	77%	0.771	S	S	*	*	S	Bend	trans	-134.5	35.6	170.7	0	0	0	0	0	113.1	E140	E140-A142 PolarHBondContact O-N 2.93Å
143	E	34	Very low	43.9	Very low	188 Å²	188	136.9 Å²	136.9	88%	0.879	75%	0.748	S	S	*	*	S	Bend	trans	-171.3	59.1	164.3	-113.1	173.3	-155.9	0	0	112.3
144	K	35.3	Very low	46.6	Very low	207 Å²	207	132 Å²	132	90%	0.9	72%	0.715	S	S	*	*			trans	-169.1	39	163.7	-112.4	168.2	-164.9	179.5	0	115.3	G146	K144-G146 PolarHBondContact O-N 2.74Å
145	N	35.2	Very low	49.3	Very low	151 Å²	151	129.4 Å²	129.4	81%	0.807	70%	0.697	S	S	*	*			trans	-93.2	88.3	169.8	-76.5	-15.2	0	0	0	110.5
146	G	32.5	Very low	52.1	Low	67 Å²	67	121.3 Å²	121.3	69%	0.691	66%	0.661	S	S	*	*			trans	-137.3	70.1	166	0	0	0	0	0	109.3	K144 E148	K144-G146 PolarHBondContact O-N 2.74Å; G146-E148 PolarHBondContact O-N 3.47Å; G146-E148 VanDerWaalsContact O-N 3.11Å
147	A	42.4	Very low	55.2	Low	103 Å²	103	116.5 Å²	116.5	85%	0.851	64%	0.636	S	S	*	*			trans	-70.9	100.6	164.9	0	0	0	0	0	107.2	E149	A147-E149 PolarHBondContact O-N 3Å
148	E	49.3	Very low	58.2	Low	150 Å²	150	114.2 Å²	114.2	70%	0.701	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-58	131.6	173.8	-74.5	-171.6	138.4	0	0	109.7	G146 K151	G146-E148 PolarHBondContact O-N 3.47Å; G146-E148 VanDerWaalsContact O-N 3.11Å; E148-K151 WeakPolarHBondContact OE1-CE 3.35Å; E148-K151 IonicContact OE1-NZ 2.66Å; E148-K151 PolarHBondContact OE1-NZ 3.07Å; E148-K151 VanDerWaalsContact OE2-CE 3.29Å; E148-K151 WeakPolarHBondContact OE2-CE 3.5Å; E148-K151 IonicContact OE2-NZ 3.21Å; E148-K151 PolarHBondContact OE2-NZ 3.34Å
149	E	56.4	Low	61.3	Low	173 Å²	173	109.5 Å²	109.5	81%	0.808	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-56.5	145.1	168.5	-74.2	-173.1	155.7	0	0	110.7	A147 K151	A147-E149 PolarHBondContact O-N 3Å; E149-K151 PolarHBondContact O-N 2.97Å; E149-K151 VanDerWaalsContact O-N 3.13Å
150	P	61.8	Low	64.3	Low	69 Å²	69	105.5 Å²	105.5	45%	0.448	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-60.9	119.5	-178.4	22.5	-31.2	0	0	0	111	G116 K118 V152	G116-P150 CarbonylContact O-C 3.4Å; K118-P150 HydrophobicContact CB-CB 3.84Å; K118-P150 HydrophobicContact CB-CG 3.84Å; K118-P150 HydrophobicContact CD-CG 4.34Å; P150-V152 VanDerWaalsContact C-N 3.28Å; P150-V152 PolarHBondContact O-N 3.5Å
151	K	71.4	Confident	67.1	Low	151 Å²	151	102 Å²	102	66%	0.657	55%	0.547	S	S	*	.	S	Bend	trans	-71.4	-20.9	-173.2	-66.7	177.3	178.1	164.1	0	113.4	G116 E148 E149	G116-K151 PolarHBondContact O-N 3.42Å; G116-K151 VanDerWaalsContact O-N 3.15Å; E148-K151 WeakPolarHBondContact OE1-CE 3.35Å; E148-K151 IonicContact OE1-NZ 2.66Å; E148-K151 PolarHBondContact OE1-NZ 3.07Å; E148-K151 VanDerWaalsContact OE2-CE 3.29Å; E148-K151 WeakPolarHBondContact OE2-CE 3.5Å; E148-K151 IonicContact OE2-NZ 3.21Å; E148-K151 PolarHBondContact OE2-NZ 3.34Å; E149-K151 PolarHBondContact O-N 2.97Å; E149-K151 VanDerWaalsContact O-N 3.13Å
152	V	85.6	Confident	70.1	Confident	71 Å²	71	100 Å²	100	43%	0.43	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.1	-175.3	-179.5	0	0	0	0	110.1	V117 K118 P150	V117-V152 CarbonylContact C-O 3.4Å; V117-V152 WeakPolarHBondContact CA-O 3.39Å; V117-V152 HydrophobicContact CG2-CB 4.31Å; K118-V152 PolarHBondContact N-O 2.71Å; P150-V152 VanDerWaalsContact C-N 3.28Å; P150-V152 PolarHBondContact O-N 3.5Å
153	T	90.6	Very high	73.1	Confident	63 Å²	63	95.6 Å²	95.6	39%	0.387	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.3	174.1	-64.6	0	0	0	0	109.7	K118 L120	K118-T153 CarbonylContact O-C 3.58Å; K118-T153 WeakPolarHBondContact O-CA 3.34Å; L120-T153 HydrophobicContact CB-CG2 4.35Å; L120-T153 HydrophobicContact CD1-CG2 3.25Å; L120-T153 HydrophobicContact CG-CG2 3.52Å
154	A	93.1	Very high	76.2	Confident	4 Å²	4	86.6 Å²	86.6	3%	0.033	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.7	178.5	0	0	0	0	0	111.6	V117 K118 L120 C160	V117-A154 HydrophobicContact CG1-CB 3.65Å; K118-A154 PolarHBondContact O-N 3.45Å; L120-A154 PolarHBondContact N-O 3.44Å; A154-C160 HydrophobicContact CB-CB 4.32Å
155	R	93.7	Very high	79.2	Confident	131 Å²	131	78.9 Å²	78.9	49%	0.494	43%	0.426	S	S	.	.			trans	-111.3	171.7	176.3	-57.4	176.6	-179.1	-89.1	-1.9	110.6	E158	R155-E158 HydrophobicContact CB-CG 4.4Å; R155-E158 WeakPolarHBondContact CD-OE1 3.34Å
156	V	94.4	Very high	82.2	Confident	30 Å²	30	71.7 Å²	71.7	18%	0.182	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-76.6	139.9	176.4	177.9	0	0	0	0	109.9	P122 E158 L182 P185	P122-V156 HydrophobicContact CG-CG2 4.06Å; V156-E158 PolarHBondContact O-N 3.46Å; V156-L182 WeakPolarHBondContact CG1-O 3.14Å; V156-P185 HydrophobicContact CG2-CB 3.86Å; V156-P185 HydrophobicContact CG2-CG 4.29Å
157	G	93.9	Very high	85.4	Confident	24 Å²	24	68.6 Å²	68.6	25%	0.247	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	-8.3	-179.1	0	0	0	0	0	115	A181 H214 L215	G157-A181 WeakPolarHBondContact CA-O 3.5Å; G157-A181 PolarHBondContact N-O 3.48Å; G157-H214 PolarHBondContact O-NE2 2.92Å; G157-L215 WeakPolarHBondContact O-CD1 3.44Å
158	E	94.7	Very high	88.1	Confident	101 Å²	101	64 Å²	64	47%	0.472	32%	0.316	S	S	.	.	S	Bend	trans	-98.1	141.1	176.9	-68.9	173.7	-167.6	0	0	111.1	R155 V156 C160	R155-E158 HydrophobicContact CB-CG 4.4Å; R155-E158 WeakPolarHBondContact CD-OE1 3.34Å; V156-E158 PolarHBondContact O-N 3.46Å; E158-C160 PolarHBondContact O-N 3.27Å
159	K	96.4	Very high	90.4	Very high	102 Å²	102	57 Å²	57	44%	0.443	28%	0.284	S	S	.	.			trans	-75.5	122.5	174.3	-171.1	-178.3	179.8	-141.7	0	110.5	E161 Q188 L215	K159-E161 WeakPolarHBondContact CE-OE1 3.06Å; K159-E161 IonicContact NZ-OE1 3.59Å; K159-E161 PolarHBondContact NZ-OE1 3.17Å; K159-E161 IonicContact NZ-OE2 3.96Å; K159-E161 PolarHBondContact NZ-OE2 3.26Å; K159-Q188 WeakPolarHBondContact CE-O 3.42Å; K159-L215 HydrophobicContact CB-CD2 3.85Å; K159-L215 HydrophobicContact CG-CD2 4.09Å
160	C	96.1	Very high	92.3	Very high	9 Å²	9	51 Å²	51	6%	0.061	26%	0.257	C	S	.	.			trans	-104.4	110.8	173.2	179.4	0	0	0	0	109.6	A154 E158 N162 G163 L187 Q188	A154-C160 HydrophobicContact CB-CB 4.32Å; E158-C160 PolarHBondContact O-N 3.27Å; C160-N162 VanDerWaalsContact C-N 3.29Å; C160-N162 PolarHBondContact O-N 3.07Å; C160-G163 WeakPolarHBondContact O-CA 3.45Å; C160-G163 PolarHBondContact O-N 3.43Å; C160-G163 PolarHBondContact SG-N 3.23Å; C160-L187 PolarHBondContact N-O 2.74Å; C160-Q188 WeakPolarHBondContact O-CA 3.15Å; C160-Q188 VanDerWaalsContact O-CB 3.24Å; C160-Q188 WeakPolarHBondContact O-CB 3.25Å
161	E	92.4	Very high	93.9	Very high	110 Å²	110	48 Å²	48	51%	0.514	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.1	-175	-68	-58.6	153.3	0	0	113.6	K159 G163 Q188	K159-E161 WeakPolarHBondContact CE-OE1 3.06Å; K159-E161 IonicContact NZ-OE1 3.59Å; K159-E161 PolarHBondContact NZ-OE1 3.17Å; K159-E161 IonicContact NZ-OE2 3.96Å; K159-E161 PolarHBondContact NZ-OE2 3.26Å; E161-G163 VanDerWaalsContact C-N 3.29Å; E161-Q188 PolarHBondContact O-NE2 3.5Å
162	N	90.7	Very high	94.9	Very high	103 Å²	103	41.9 Å²	41.9	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	15.6	173.7	-64.3	-29.5	0	0	0	112.9	R115 V117 C160	R115-N162 WeakPolarHBondContact CD-O 3.34Å; R115-N162 PolarHBondContact NH1-O 3.16Å; V117-N162 HydrophobicContact CG2-CB 4.46Å; C160-N162 VanDerWaalsContact C-N 3.29Å; C160-N162 PolarHBondContact O-N 3.07Å
163	G	96.1	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-77.3	-168	-174.6	0	0	0	0	0	114.1	R115 C160 E161 G186	R115-G163 PolarHBondContact NH1-O 3.07Å; C160-G163 WeakPolarHBondContact O-CA 3.45Å; C160-G163 PolarHBondContact O-N 3.43Å; C160-G163 PolarHBondContact SG-N 3.23Å; E161-G163 VanDerWaalsContact C-N 3.29Å; G163-G186 CarbonylContact C-O 3.54Å; G163-G186 WeakPolarHBondContact CA-O 3.35Å
164	L	98.2	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	136.5	-179.8	-57.4	-175.6	0	0	0	111.9	I104 F107 A108 V111 L112 V166 G186 L187 Q188 S189 D238 V239	I104-L164 HydrophobicContact CG2-CD1 4.43Å; F107-L164 HydrophobicContact CD1-CD1 3.99Å; F107-L164 HydrophobicContact CE1-CD1 4.12Å; F107-L164 HydrophobicContact CE1-CD2 4.21Å; A108-L164 HydrophobicContact CB-CD1 3.59Å; A108-L164 HydrophobicContact CB-CG 4.43Å; V111-L164 HydrophobicContact CG1-CD2 4.23Å; L112-L164 HydrophobicContact CD1-CG 4.35Å; L112-L164 HydrophobicContact CD2-CD2 3.85Å; L112-L164 HydrophobicContact CD2-CG 4.25Å; L112-L164 HydrophobicContact CG-CD2 4.22Å; L112-L164 HydrophobicContact CG-CG 4.38Å; L164-V166 HydrophobicContact CB-CG2 4.31Å; L164-G186 PolarHBondContact N-O 3.01Å; L164-L187 HydrophobicContact CB-CD2 4.27Å; L164-Q188 PolarHBondContact O-N 3.37Å; L164-S189 PolarHBondContact O-N 3.01Å; L164-D238 WeakPolarHBondContact CA-OD2 3.33Å; L164-D238 HydrophobicContact CB-CB 4.3Å; L164-D238 HydrophobicContact CD2-CB 3.93Å; L164-V239 HydrophobicContact CD1-CG2 4.23Å
165	R	98.3	Very high	95.5	Very high	44 Å²	44	36.1 Å²	36.1	17%	0.166	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.5	167.1	-63.8	177.1	62	-131.9	-10.3	109.4	Q188 K234 E235 R236 Y237 D238 V239	R165-Q188 HydrophobicContact CG-CB 4.19Å; R165-Q188 HydrophobicContact CG-CG 4.46Å; R165-K234 PolarHBondContact NH1-O 3.44Å; R165-K234 VanDerWaalsContact NH1-O 3.11Å; R165-E235 VanDerWaalsContact CZ-O 3.25Å; R165-E235 PolarHBondContact NH1-O 3.27Å; R165-E235 PolarHBondContact NH2-O 2.83Å; R165-R236 PolarHBondContact NH1-O 2.84Å; R165-Y237 HydrophobicContact CB-CD1 4.25Å; R165-Y237 CarbonylContact O-C 3.58Å; R165-D238 PolarHBondContact N-OD2 3.49Å; R165-D238 PolarHBondContact O-N 3.17Å; R165-V239 PolarHBondContact O-N 3.47Å
166	V	98.8	Very high	95.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.2	-174.2	-177.4	0	0	0	0	110.2	L164 F180 L187 S189 V190 T191 V239	L164-V166 HydrophobicContact CB-CG2 4.31Å; V166-F180 HydrophobicContact CG1-CD2 3.92Å; V166-F180 HydrophobicContact CG1-CE2 4.09Å; V166-L187 HydrophobicContact CG2-CD2 3.56Å; V166-S189 PolarHBondContact N-O 3.35Å; V166-V190 HydrophobicContact CB-CG2 4.39Å; V166-V190 CarbonylContact O-C 3.02Å; V166-V190 WeakPolarHBondContact O-CA 3.33Å; V166-T191 PolarHBondContact O-N 2.95Å; V166-V239 CarbonylContact C-O 3.58Å; V166-V239 WeakPolarHBondContact CA-O 2.9Å; V166-V239 HydrophobicContact CB-CB 4.37Å; V166-V239 HydrophobicContact CG1-CB 4.09Å; V166-V239 HydrophobicContact CG1-CG1 4.27Å; V166-V239 HydrophobicContact CG2-CB 4.01Å; V166-V239 HydrophobicContact CG2-CG2 4.18Å
167	L	98.8	Very high	95.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125	169.4	172.3	63.7	0	0	0	109.8	T191 N193 L226 M227 Y237 V239 I240 D241	L167-T191 WeakPolarHBondContact CA-O 3.31Å; L167-T191 HydrophobicContact CD1-CG2 3.97Å; L167-N193 HydrophobicContact CD1-CB 4.23Å; L167-L226 HydrophobicContact CD1-CD2 3.83Å; L167-M227 HydrophobicContact CD2-CG 3.57Å; L167-M227 HydrophobicContact CD2-SD 4.22Å; L167-Y237 HydrophobicContact CB-CD1 3.73Å; L167-Y237 HydrophobicContact CB-CD2 3.76Å; L167-Y237 HydrophobicContact CB-CE1 3.9Å; L167-Y237 HydrophobicContact CB-CE2 3.92Å; L167-Y237 HydrophobicContact CB-CG 3.66Å; L167-Y237 HydrophobicContact CD1-CE2 4.44Å; L167-Y237 HydrophobicContact CD2-CD2 3.84Å; L167-Y237 HydrophobicContact CD2-CE2 3.66Å; L167-Y237 HydrophobicContact CG-CD2 4.38Å; L167-Y237 HydrophobicContact CG-CE2 4.22Å; L167-V239 PolarHBondContact N-O 2.88Å; L167-I240 HydrophobicContact CB-CG1 4.31Å; L167-I240 HydrophobicContact CD2-CG1 4.48Å; L167-I240 HydrophobicContact CD2-CG2 4.09Å; L167-I240 HydrophobicContact CG-CG2 4.41Å; L167-I240 WeakPolarHBondContact O-CA 2.94Å; L167-D241 PolarHBondContact O-N 3.31Å
168	E	98.6	Very high	96	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	109.4	157.4	-176.7	178.9	-171.7	0	0	108.1	L170 A171 R176 S177 T191 N193	E168-L170 PolarHBondContact O-N 3.02Å; E168-A171 HydrophobicContact CB-CB 4.39Å; E168-A171 VanDerWaalsContact CD-CA 3.49Å; E168-A171 HydrophobicContact CG-CB 3.9Å; E168-A171 WeakPolarHBondContact OE1-CA 3.17Å; E168-R176 WeakPolarHBondContact OE1-CB 3.2Å; E168-S177 WeakPolarHBondContact CB-OG 3.28Å; E168-S177 VanDerWaalsContact OE2-CB 3.25Å; E168-S177 WeakPolarHBondContact OE2-CB 3.44Å; E168-S177 PolarHBondContact OE2-N 3.37Å; E168-S177 PolarHBondContact OE2-OG 3.11Å; E168-T191 PolarHBondContact N-O 3.17Å; E168-N193 PolarHBondContact O-N 2.89Å
169	G	97.6	Very high	96.2	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	-72.1	-28.7	-170.9	0	0	0	0	0	114.6	N193 A223 D241	G169-N193 CarbonylContact C-O 3.58Å; G169-N193 PolarHBondContact O-ND2 3.24Å; G169-N193 VanDerWaalsContact O-O 3.1Å; G169-A223 WeakPolarHBondContact O-CB 3.28Å; G169-D241 PolarHBondContact N-O 3.23Å
170	L	96.6	Very high	96.3	Very high	47 Å²	47	18 Å²	18	25%	0.246	9%	0.094	C	C	.	.	S	Bend	trans	-135.9	73.7	-175.4	-56.9	102.9	0	0	0	111	E168 N193 L242 P244 F251	E168-L170 PolarHBondContact O-N 3.02Å; L170-N193 CarbonylContact C-O 3.32Å; L170-N193 WeakPolarHBondContact CA-O 3.45Å; L170-L242 HydrophobicContact CD1-CD2 4.14Å; L170-P244 HydrophobicContact CD1-CB 4.07Å; L170-P244 HydrophobicContact CD2-CB 3.87Å; L170-F251 HydrophobicContact CD1-CD2 4.44Å; L170-F251 HydrophobicContact CD1-CE2 4.37Å; L170-F251 HydrophobicContact CD2-CE2 4.09Å; L170-F251 HydrophobicContact CD2-CZ 3.97Å
171	A	95.3	Very high	96.4	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.041	9%	0.091	C	C	.	.			trans	-81.7	-19.5	-163	0	0	0	0	0	115.9	E168 S173 G174 A192 N193 I203	E168-A171 HydrophobicContact CB-CB 4.39Å; E168-A171 VanDerWaalsContact CD-CA 3.49Å; E168-A171 HydrophobicContact CG-CB 3.9Å; E168-A171 WeakPolarHBondContact OE1-CA 3.17Å; A171-S173 PolarHBondContact O-N 2.9Å; A171-G174 PolarHBondContact O-N 3.46Å; A171-A192 HydrophobicContact CB-CB 4.05Å; A171-N193 WeakPolarHBondContact CB-O 3.24Å; A171-N193 PolarHBondContact N-O 2.98Å; A171-I203 HydrophobicContact CB-CD1 3.63Å; A171-I203 HydrophobicContact CB-CG1 4.43Å
172	A	92.8	Very high	96.6	Very high	24 Å²	24	14 Å²	14	20%	0.198	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-104.3	-175.5	0	0	0	0	0	113.1	G174 D194 A199	A172-G174 VanDerWaalsContact C-N 3.31Å; A172-D194 VanDerWaalsContact CA-OD2 3.27Å; A172-D194 WeakPolarHBondContact CA-OD2 3.2Å; A172-D194 PolarHBondContact N-OD2 2.68Å; A172-A199 WeakPolarHBondContact O-CB 3.29Å
173	S	92.1	Very high	96.9	Very high	5 Å²	5	9.4 Å²	9.4	4%	0.035	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.1	176.9	62.2	0	0	0	0	114.1	A171 L175 N206	A171-S173 PolarHBondContact O-N 2.9Å; S173-L175 PolarHBondContact OG-N 2.82Å; S173-N206 PolarHBondContact O-ND2 3.4Å
174	G	94.9	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	82.8	9.4	-171.6	0	0	0	0	0	114	A171 A172 R176 S177 V178	A171-G174 PolarHBondContact O-N 3.46Å; A172-G174 VanDerWaalsContact C-N 3.31Å; G174-R176 VanDerWaalsContact C-N 3.33Å; G174-R176 PolarHBondContact O-N 2.84Å; G174-S177 PolarHBondContact O-N 2.9Å; G174-V178 WeakPolarHBondContact O-CG2 3.5Å; G174-V178 PolarHBondContact O-N 3.33Å
175	L	95.7	Very high	96.9	Very high	11 Å²	11	9.5 Å²	9.5	6%	0.058	5%	0.051	C	C	.	.	H	α-helix	trans	-51.8	-49.3	-177.1	172.8	59.8	0	0	0	112.5	E74 A77 I79 Y89 S173 V178 R179	E74-L175 HydrophobicContact CB-CD1 4.27Å; A77-L175 HydrophobicContact CB-CD1 3.84Å; I79-L175 HydrophobicContact CD1-CB 4.39Å; I79-L175 HydrophobicContact CD1-CD1 4.24Å; I79-L175 HydrophobicContact CG1-CB 3.96Å; I79-L175 HydrophobicContact CG1-CD1 3.47Å; I79-L175 VanDerWaalsContact CG1-CD1 3.47Å; I79-L175 HydrophobicContact CG1-CG 4.26Å; Y89-L175 HydrophobicContact CD2-CD2 3.74Å; Y89-L175 HydrophobicContact CE2-CD2 3.67Å; S173-L175 PolarHBondContact OG-N 2.82Å; L175-V178 PolarHBondContact O-N 2.66Å; L175-R179 HydrophobicContact CD1-CG 4.17Å; L175-R179 WeakPolarHBondContact O-CG 3.25Å; L175-R179 PolarHBondContact O-N 3.13Å
176	R	96.6	Very high	96.8	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.019	4%	0.043	C	C	.	.	H	α-helix	trans	-66.1	-45.1	-179	174.7	-170.8	-66.7	-99.7	-2.4	110.7	N96 R97 T100 E168 G174 V178 R179 F180 D241 D243	N96-R176 PolarHBondContact ND2-NH2 3.48Å; R97-R176 HydrophobicContact CG-CB 4.34Å; R97-R176 HydrophobicContact CG-CG 4.49Å; T100-R176 PolarHBondContact OG1-NH1 3.22Å; E168-R176 WeakPolarHBondContact OE1-CB 3.2Å; G174-R176 VanDerWaalsContact C-N 3.33Å; G174-R176 PolarHBondContact O-N 2.84Å; R176-V178 PolarHBondContact O-N 2.86Å; R176-R179 CarbonylContact O-C 3.57Å; R176-R179 WeakPolarHBondContact O-CB 3.46Å; R176-R179 PolarHBondContact O-N 3.33Å; R176-F180 HydrophobicContact CG-CD1 4.35Å; R176-F180 HydrophobicContact CG-CD2 4.34Å; R176-F180 HydrophobicContact CG-CE1 3.64Å; R176-F180 HydrophobicContact CG-CE2 3.65Å; R176-F180 HydrophobicContact CG-CZ 3.26Å; R176-F180 WeakPolarHBondContact O-CD1 3.42Å; R176-F180 VanDerWaalsContact O-CG 3.27Å; R176-F180 WeakPolarHBondContact O-CG 3.5Å; R176-F180 PolarHBondContact O-N 3.33Å; R176-D241 WeakPolarHBondContact CD-OD1 2.88Å; R176-D241 IonicContact CZ-OD1 3.09Å; R176-D241 IonicContact CZ-OD2 3.97Å; R176-D241 IonicContact NE-OD1 3.74Å; R176-D241 PolarHBondContact NE-OD1 3.4Å; R176-D241 IonicContact NH1-OD1 3.58Å; R176-D241 PolarHBondContact NH1-OD1 3.38Å; R176-D241 IonicContact NH1-OD2 2.84Å; R176-D241 PolarHBondContact NH1-OD2 2.83Å; R176-D243 IonicContact CZ-OD2 2.58Å; R176-D243 IonicContact NE-OD2 2.69Å; R176-D243 IonicContact NH2-OD2 2.72Å; R176-D243 PolarHBondContact NH2-OD2 2.98Å
177	S	98.1	Very high	96.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.5	-41.6	174.1	-72.1	0	0	0	0	114.2	E168 G174 R179 F180 A181 A192	E168-S177 WeakPolarHBondContact CB-OG 3.28Å; E168-S177 VanDerWaalsContact OE2-CB 3.25Å; E168-S177 WeakPolarHBondContact OE2-CB 3.44Å; E168-S177 PolarHBondContact OE2-N 3.37Å; E168-S177 PolarHBondContact OE2-OG 3.11Å; G174-S177 PolarHBondContact O-N 2.9Å; S177-R179 VanDerWaalsContact C-N 3.35Å; S177-F180 WeakPolarHBondContact O-CB 3.33Å; S177-F180 PolarHBondContact O-N 2.93Å; S177-A181 PolarHBondContact O-N 3.46Å; S177-A192 VanDerWaalsContact OG-CB 3.27Å; S177-A192 WeakPolarHBondContact OG-CB 3.42Å
178	V	98.3	Very high	96.7	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-64.3	-43	175.2	172.2	0	0	0	0	110.1	A77 I79 G174 L175 R176 F180 A181 L182 N206 N210 V212 L216	A77-V178 HydrophobicContact CB-CB 4.25Å; A77-V178 HydrophobicContact CB-CG1 3.61Å; I79-V178 HydrophobicContact CD1-CB 4.1Å; I79-V178 HydrophobicContact CD1-CG1 4.31Å; I79-V178 HydrophobicContact CD1-CG2 3.93Å; G174-V178 WeakPolarHBondContact O-CG2 3.5Å; G174-V178 PolarHBondContact O-N 3.33Å; L175-V178 PolarHBondContact O-N 2.66Å; R176-V178 PolarHBondContact O-N 2.86Å; V178-F180 VanDerWaalsContact C-N 3.34Å; V178-F180 PolarHBondContact O-N 2.67Å; V178-A181 PolarHBondContact O-N 3.18Å; V178-L182 HydrophobicContact CG1-CD1 3.76Å; V178-L182 HydrophobicContact CG1-CG 4.37Å; V178-L182 WeakPolarHBondContact O-CB 3.21Å; V178-L182 WeakPolarHBondContact O-CG 3.47Å; V178-L182 PolarHBondContact O-N 2.92Å; V178-N206 HydrophobicContact CG2-CB 4.35Å; V178-N210 HydrophobicContact CG1-CB 3.76Å; V178-N210 VanDerWaalsContact CG1-CG 3.47Å; V178-V212 HydrophobicContact CG1-CG2 4.45Å; V178-V212 HydrophobicContact CG2-CG2 4.49Å; V178-L216 HydrophobicContact CB-CD1 4.35Å; V178-L216 HydrophobicContact CG2-CD1 3.63Å
179	R	97.9	Very high	96.7	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-40.7	173.8	-72.4	-168	65.3	-163.9	-10.2	112.3	E74 A77 R97 D98 L175 R176 S177 A181 L182 E183	E74-R179 IonicContact OE1-CZ 2.63Å; E74-R179 IonicContact OE1-NE 3.75Å; E74-R179 IonicContact OE1-NH1 3.68Å; E74-R179 PolarHBondContact OE1-NH1 3.04Å; A77-R179 HydrophobicContact CB-CG 3.53Å; R97-R179 VanDerWaalsContact CB-NH1 3.3Å; D98-R179 IonicContact OD1-CZ 3.99Å; D98-R179 IonicContact OD1-NH1 3.91Å; D98-R179 PolarHBondContact OD1-NH1 3.25Å; D98-R179 IonicContact OD1-NH2 3.96Å; D98-R179 PolarHBondContact OD1-NH2 3.5Å; L175-R179 HydrophobicContact CD1-CG 4.17Å; L175-R179 WeakPolarHBondContact O-CG 3.25Å; L175-R179 PolarHBondContact O-N 3.13Å; R176-R179 CarbonylContact O-C 3.57Å; R176-R179 WeakPolarHBondContact O-CB 3.46Å; R176-R179 PolarHBondContact O-N 3.33Å; S177-R179 VanDerWaalsContact C-N 3.35Å; R179-A181 PolarHBondContact O-N 3.45Å; R179-L182 PolarHBondContact O-N 3.21Å; R179-E183 WeakPolarHBondContact CG-OE1 3.43Å; R179-E183 IonicContact CZ-OE1 2.61Å; R179-E183 IonicContact CZ-OE2 3.32Å; R179-E183 IonicContact NE-OE1 3.31Å; R179-E183 PolarHBondContact NE-OE1 3.04Å; R179-E183 IonicContact NE-OE2 2.72Å; R179-E183 PolarHBondContact NE-OE2 2.98Å; R179-E183 IonicContact NH2-OE1 2.62Å; R179-E183 IonicContact NH2-OE2 3.22Å; R179-E183 PolarHBondContact NH2-OE2 2.84Å; R179-E183 WeakPolarHBondContact O-CA 3.47Å; R179-E183 WeakPolarHBondContact O-CB 3.34Å; R179-E183 WeakPolarHBondContact O-CG 3.41Å; R179-E183 PolarHBondContact O-N 2.7Å
180	F	98.4	Very high	96.8	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-56.6	-51.3	173.3	-64.1	-18.9	0	0	0	110.7	T100 I104 V166 R176 S177 V178 L182 E183 V184 L187 V190 D241	T100-F180 HydrophobicContact CG2-CE1 3.73Å; T100-F180 HydrophobicContact CG2-CZ 3.65Å; I104-F180 HydrophobicContact CD1-CD1 4.22Å; I104-F180 HydrophobicContact CD1-CE1 3.71Å; I104-F180 HydrophobicContact CD1-CE2 4.14Å; I104-F180 HydrophobicContact CD1-CZ 3.64Å; V166-F180 HydrophobicContact CG1-CD2 3.92Å; V166-F180 HydrophobicContact CG1-CE2 4.09Å; R176-F180 HydrophobicContact CG-CD1 4.35Å; R176-F180 HydrophobicContact CG-CD2 4.34Å; R176-F180 HydrophobicContact CG-CE1 3.64Å; R176-F180 HydrophobicContact CG-CE2 3.65Å; R176-F180 HydrophobicContact CG-CZ 3.26Å; R176-F180 WeakPolarHBondContact O-CD1 3.42Å; R176-F180 VanDerWaalsContact O-CG 3.27Å; R176-F180 WeakPolarHBondContact O-CG 3.5Å; R176-F180 PolarHBondContact O-N 3.33Å; S177-F180 WeakPolarHBondContact O-CB 3.33Å; S177-F180 PolarHBondContact O-N 2.93Å; V178-F180 VanDerWaalsContact C-N 3.34Å; V178-F180 PolarHBondContact O-N 2.67Å; F180-L182 VanDerWaalsContact C-N 3.28Å; F180-L182 PolarHBondContact O-N 2.87Å; F180-E183 PolarHBondContact O-N 3.48Å; F180-V184 HydrophobicContact CD1-CG2 4.28Å; F180-V184 VanDerWaalsContact O-CB 3.29Å; F180-V184 WeakPolarHBondContact O-CB 3.18Å; F180-V184 PolarHBondContact O-N 2.94Å; F180-L187 HydrophobicContact CB-CD1 4.38Å; F180-L187 VanDerWaalsContact O-CD1 3.26Å; F180-L187 WeakPolarHBondContact O-CD1 3.35Å; F180-V190 HydrophobicContact CB-CG2 4.35Å; F180-V190 HydrophobicContact CD2-CG1 4.45Å; F180-D241 HydrophobicContact CE2-CB 4.41Å
181	A	98.2	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.6	-35.9	178.6	0	0	0	0	0	113.5	G157 S177 V178 R179 V212 L215	G157-A181 WeakPolarHBondContact CA-O 3.5Å; G157-A181 PolarHBondContact N-O 3.48Å; S177-A181 PolarHBondContact O-N 3.46Å; V178-A181 PolarHBondContact O-N 3.18Å; R179-A181 PolarHBondContact O-N 3.45Å; A181-V212 HydrophobicContact CB-CB 3.78Å; A181-V212 HydrophobicContact CB-CG1 3.88Å; A181-V212 HydrophobicContact CB-CG2 4.12Å; A181-L215 HydrophobicContact CB-CB 4.38Å; A181-L215 HydrophobicContact CB-CD1 4.37Å
182	L	97.6	Very high	97.1	Very high	34 Å²	34	9.1 Å²	9.1	18%	0.178	5%	0.053	C	C	.	.	H	α-helix	trans	-92	-10.3	-176.3	-68.4	176.7	0	0	0	115.4	K76 A77 V156 V178 R179 F180 N210 V212	K76-L182 HydrophobicContact CB-CB 4.02Å; K76-L182 HydrophobicContact CB-CD1 4.18Å; K76-L182 WeakPolarHBondContact CD-O 3.44Å; K76-L182 WeakPolarHBondContact O-CD1 3.45Å; A77-L182 HydrophobicContact CB-CD1 4.32Å; V156-L182 WeakPolarHBondContact CG1-O 3.14Å; V178-L182 HydrophobicContact CG1-CD1 3.76Å; V178-L182 HydrophobicContact CG1-CG 4.37Å; V178-L182 WeakPolarHBondContact O-CB 3.21Å; V178-L182 WeakPolarHBondContact O-CG 3.47Å; V178-L182 PolarHBondContact O-N 2.92Å; R179-L182 PolarHBondContact O-N 3.21Å; F180-L182 VanDerWaalsContact C-N 3.28Å; F180-L182 PolarHBondContact O-N 2.87Å; L182-N210 HydrophobicContact CD1-CB 4.24Å; L182-V212 HydrophobicContact CD2-CG1 3.49Å; L182-V212 VanDerWaalsContact CD2-CG1 3.49Å; L182-V212 HydrophobicContact CG-CG1 3.91Å
183	E	96.9	Very high	97.3	Very high	8 Å²	8	8 Å²	8	4%	0.037	4%	0.043	C	C	.	.	H	α-helix	trans	-136.3	-14.8	-169.9	-56.7	174.5	-151	0	0	114.5	K76 R179 F180 R430	K76-E183 HydrophobicContact CB-CG 4.12Å; K76-E183 HydrophobicContact CD-CG 4.09Å; K76-E183 HydrophobicContact CG-CG 4.15Å; K76-E183 PolarHBondContact N-OE1 2.74Å; R179-E183 WeakPolarHBondContact CG-OE1 3.43Å; R179-E183 IonicContact CZ-OE1 2.61Å; R179-E183 IonicContact CZ-OE2 3.32Å; R179-E183 IonicContact NE-OE1 3.31Å; R179-E183 PolarHBondContact NE-OE1 3.04Å; R179-E183 IonicContact NE-OE2 2.72Å; R179-E183 PolarHBondContact NE-OE2 2.98Å; R179-E183 IonicContact NH2-OE1 2.62Å; R179-E183 IonicContact NH2-OE2 3.22Å; R179-E183 PolarHBondContact NH2-OE2 2.84Å; R179-E183 WeakPolarHBondContact O-CA 3.47Å; R179-E183 WeakPolarHBondContact O-CB 3.34Å; R179-E183 WeakPolarHBondContact O-CG 3.41Å; R179-E183 PolarHBondContact O-N 2.7Å; F180-E183 PolarHBondContact O-N 3.48Å; E183-R430 PolarHBondContact O-NH2 3.47Å
184	V	97.5	Very high	97.5	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	5%	0.05	C	C	.	.			trans	-107.6	118.8	177.3	178.8	0	0	0	0	109.5	C101 I104 F180 L187	C101-V184 HydrophobicContact CB-CG2 4.24Å; I104-V184 HydrophobicContact CB-CG1 4.39Å; I104-V184 HydrophobicContact CB-CG2 4.42Å; I104-V184 HydrophobicContact CG2-CG1 3.59Å; I104-V184 HydrophobicContact CG2-CG2 4.35Å; F180-V184 HydrophobicContact CD1-CG2 4.28Å; F180-V184 VanDerWaalsContact O-CB 3.29Å; F180-V184 WeakPolarHBondContact O-CB 3.18Å; F180-V184 PolarHBondContact O-N 2.94Å; V184-L187 HydrophobicContact CB-CD1 4.12Å; V184-L187 HydrophobicContact CB-CD2 4.46Å; V184-L187 HydrophobicContact CB-CG 4.35Å; V184-L187 HydrophobicContact CG1-CD1 4.4Å; V184-L187 HydrophobicContact CG1-CD2 3.87Å; V184-L187 HydrophobicContact CG1-CG 4.12Å; V184-L187 WeakPolarHBondContact O-CD1 3.34Å
185	P	96.1	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-77.7	162.3	174.5	32.6	-37.2	0	0	0	112.4	T105 V119 V121 V156	T105-P185 HydrophobicContact CG2-CG 4.16Å; V119-P185 HydrophobicContact CG1-CB 3.9Å; V119-P185 HydrophobicContact CG1-CG 3.25Å; V121-P185 HydrophobicContact CG2-CG 3.98Å; V156-P185 HydrophobicContact CG2-CB 3.86Å; V156-P185 HydrophobicContact CG2-CG 4.29Å
186	G	96.6	Very high	97.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	77.3	21.7	171.7	0	0	0	0	0	114.6	G163 L164	G163-G186 CarbonylContact C-O 3.54Å; G163-G186 WeakPolarHBondContact CA-O 3.35Å; L164-G186 PolarHBondContact N-O 3.01Å
187	L	98.2	Very high	97.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.2	177.1	-61.9	179.2	0	0	0	111.1	C160 L164 V166 F180 V184 V190 L215	C160-L187 PolarHBondContact N-O 2.74Å; L164-L187 HydrophobicContact CB-CD2 4.27Å; V166-L187 HydrophobicContact CG2-CD2 3.56Å; F180-L187 HydrophobicContact CB-CD1 4.38Å; F180-L187 VanDerWaalsContact O-CD1 3.26Å; F180-L187 WeakPolarHBondContact O-CD1 3.35Å; V184-L187 HydrophobicContact CB-CD1 4.12Å; V184-L187 HydrophobicContact CB-CD2 4.46Å; V184-L187 HydrophobicContact CB-CG 4.35Å; V184-L187 HydrophobicContact CG1-CD1 4.4Å; V184-L187 HydrophobicContact CG1-CD2 3.87Å; V184-L187 HydrophobicContact CG1-CG 4.12Å; V184-L187 WeakPolarHBondContact O-CD1 3.34Å; L187-V190 HydrophobicContact CD1-CG2 3.76Å; L187-L215 HydrophobicContact CB-CD2 4.4Å
188	Q	97.7	Very high	96.9	Very high	51 Å²	51	30.1 Å²	30.1	24%	0.238	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-43.4	166.1	-173.9	-177.6	18	0	0	110.7	K159 C160 E161 L164 R165	K159-Q188 WeakPolarHBondContact CE-O 3.42Å; C160-Q188 WeakPolarHBondContact O-CA 3.15Å; C160-Q188 VanDerWaalsContact O-CB 3.24Å; C160-Q188 WeakPolarHBondContact O-CB 3.25Å; E161-Q188 PolarHBondContact O-NE2 3.5Å; L164-Q188 PolarHBondContact O-N 3.37Å; R165-Q188 HydrophobicContact CG-CB 4.19Å; R165-Q188 HydrophobicContact CG-CG 4.46Å
189	S	98.4	Very high	96.5	Very high	25 Å²	25	30.6 Å²	30.6	18%	0.175	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	147.3	-179	62.4	0	0	0	0	111.1	L164 V166 L215	L164-S189 PolarHBondContact O-N 3.01Å; V166-S189 PolarHBondContact N-O 3.35Å; S189-L215 CarbonylContact C-O 3.14Å; S189-L215 WeakPolarHBondContact CA-O 3.42Å
190	V	98.8	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.3	169.2	-175.3	0	0	0	0	108.6	V166 F180 L187 L215 L216 Q217	V166-V190 HydrophobicContact CB-CG2 4.39Å; V166-V190 CarbonylContact O-C 3.02Å; V166-V190 WeakPolarHBondContact O-CA 3.33Å; F180-V190 HydrophobicContact CB-CG2 4.35Å; F180-V190 HydrophobicContact CD2-CG1 4.45Å; L187-V190 HydrophobicContact CD1-CG2 3.76Å; V190-L215 PolarHBondContact N-O 2.97Å; V190-L216 HydrophobicContact CB-CG 4.49Å; V190-L216 CarbonylContact O-C 3.4Å; V190-L216 WeakPolarHBondContact O-CA 3.19Å; V190-Q217 PolarHBondContact O-N 3.46Å
191	T	98.7	Very high	96.2	Very high	22 Å²	22	34 Å²	34	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.4	170.2	-58	0	0	0	0	108.8	V166 L167 E168 Q217 L226	V166-T191 PolarHBondContact O-N 2.95Å; L167-T191 WeakPolarHBondContact CA-O 3.31Å; L167-T191 HydrophobicContact CD1-CG2 3.97Å; E168-T191 PolarHBondContact N-O 3.17Å; T191-Q217 WeakPolarHBondContact CA-O 3.17Å; T191-L226 HydrophobicContact CG2-CD2 4.34Å
192	A	98.6	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.4	179	0	0	0	0	0	109.1	A171 S177 I203 L216 Q217 P218 S219	A171-A192 HydrophobicContact CB-CB 4.05Å; S177-A192 VanDerWaalsContact OG-CB 3.27Å; S177-A192 WeakPolarHBondContact OG-CB 3.42Å; A192-I203 HydrophobicContact CB-CD1 4.36Å; A192-I203 HydrophobicContact CB-CG2 3.51Å; A192-L216 HydrophobicContact CB-CD2 3.73Å; A192-L216 HydrophobicContact CB-CG 4.36Å; A192-Q217 PolarHBondContact N-O 3.33Å; A192-P218 CarbonylContact O-C 3.48Å; A192-S219 PolarHBondContact O-N 3.4Å
193	N	98.4	Very high	95.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.1	-173.8	179.8	76.1	0	0	0	112.5	L167 E168 G169 L170 A171 S219 R221 L226	L167-N193 HydrophobicContact CD1-CB 4.23Å; E168-N193 PolarHBondContact O-N 2.89Å; G169-N193 CarbonylContact C-O 3.58Å; G169-N193 PolarHBondContact O-ND2 3.24Å; G169-N193 VanDerWaalsContact O-O 3.1Å; L170-N193 CarbonylContact C-O 3.32Å; L170-N193 WeakPolarHBondContact CA-O 3.45Å; A171-N193 WeakPolarHBondContact CB-O 3.24Å; A171-N193 PolarHBondContact N-O 2.98Å; N193-S219 WeakPolarHBondContact CA-O 3.35Å; N193-R221 PolarHBondContact ND2-O 3Å; N193-R221 WeakPolarHBondContact OD1-CB 3.42Å; N193-R221 PolarHBondContact OD1-N 3.46Å; N193-R221 VanDerWaalsContact OD1-N 3.11Å; N193-R221 PolarHBondContact OD1-O 3.46Å; N193-L226 HydrophobicContact CB-CD2 3.76Å
194	D	96.6	Very high	95.8	Very high	31 Å²	31	34.2 Å²	34.2	17%	0.166	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.5	163.5	-158.8	-75.5	0	0	0	110.5	A172 S196 A199 I203 S219 C220 R221	A172-D194 VanDerWaalsContact CA-OD2 3.27Å; A172-D194 WeakPolarHBondContact CA-OD2 3.2Å; A172-D194 PolarHBondContact N-OD2 2.68Å; D194-S196 VanDerWaalsContact C-N 3.3Å; D194-S196 PolarHBondContact OD1-N 2.81Å; D194-A199 HydrophobicContact CB-CB 3.64Å; D194-A199 VanDerWaalsContact CG-CB 3.47Å; D194-I203 HydrophobicContact CB-CD1 4.21Å; D194-S219 PolarHBondContact N-O 3.08Å; D194-C220 CarbonylContact O-C 3.52Å; D194-C220 VanDerWaalsContact O-CA 3.25Å; D194-C220 WeakPolarHBondContact O-CA 3.47Å; D194-R221 PolarHBondContact O-N 3.34Å; D194-R221 VanDerWaalsContact O-N 3.16Å
195	F	93.6	Very high	95.7	Very high	156 Å²	156	36.7 Å²	36.7	68%	0.684	21%	0.205	S	C	*	.	S	Bend	trans	-72.7	-26.6	177	-173.9	-95.7	0	0	0	112	D222	F195-D222 HydrophobicContact CD2-CB 4.22Å; F195-D222 HydrophobicContact CE2-CB 4.39Å
196	S	93.2	Very high	95.7	Very high	50 Å²	50	36.7 Å²	36.7	35%	0.35	21%	0.205	S	C	.	.			trans	-82.8	125.4	-179.4	-178.1	0	0	0	0	111.7	D194 K198 A199 A200	D194-S196 VanDerWaalsContact C-N 3.3Å; D194-S196 PolarHBondContact OD1-N 2.81Å; S196-K198 PolarHBondContact O-N 3.35Å; S196-K198 PolarHBondContact OG-N 2.8Å; S196-A199 WeakPolarHBondContact O-CB 3.47Å; S196-A199 PolarHBondContact O-N 3.48Å; S196-A200 PolarHBondContact O-N 3.39Å
197	S	93.4	Very high	95.8	Very high	85 Å²	85	36.8 Å²	36.8	59%	0.594	21%	0.205	S	C	*	.	H	α-helix	trans	-58.4	-33.2	172.5	57.7	0	0	0	0	113.1	A201 C220	S197-A201 WeakPolarHBondContact O-CB 3.45Å; S197-A201 PolarHBondContact O-N 3.12Å; S197-C220 VanDerWaalsContact CA-SG 3.6Å
198	K	90.9	Very high	95.7	Very high	163 Å²	163	42.5 Å²	42.5	71%	0.709	23%	0.232	S	C	*	.	H	α-helix	trans	-65.5	-42.1	173.7	-64.4	-172.6	178.7	-172.7	0	111.7	S196 L202	S196-K198 PolarHBondContact O-N 3.35Å; S196-K198 PolarHBondContact OG-N 2.8Å; K198-L202 WeakPolarHBondContact O-CB 3.35Å; K198-L202 PolarHBondContact O-N 3.27Å
199	A	91.4	Very high	95.6	Very high	11 Å²	11	43.3 Å²	43.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-46.1	176.2	0	0	0	0	0	110.9	A172 D194 S196 A201 L202 I203	A172-A199 WeakPolarHBondContact O-CB 3.29Å; D194-A199 HydrophobicContact CB-CB 3.64Å; D194-A199 VanDerWaalsContact CG-CB 3.47Å; S196-A199 WeakPolarHBondContact O-CB 3.47Å; S196-A199 PolarHBondContact O-N 3.48Å; A199-A201 PolarHBondContact O-N 3.31Å; A199-L202 CarbonylContact O-C 3.59Å; A199-L202 WeakPolarHBondContact O-CA 3.39Å; A199-L202 WeakPolarHBondContact O-CB 3.39Å; A199-L202 PolarHBondContact O-N 3.01Å; A199-L202 VanDerWaalsContact O-N 3.08Å; A199-I203 VanDerWaalsContact O-CG1 3.23Å; A199-I203 WeakPolarHBondContact O-CG1 3.09Å; A199-I203 PolarHBondContact O-N 3.17Å
200	A	94.7	Very high	95.5	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-43.2	175.3	0	0	0	0	0	113.2	S196 L202 I203 A204 C220	S196-A200 PolarHBondContact O-N 3.39Å; A200-L202 VanDerWaalsContact C-N 3.32Å; A200-L202 PolarHBondContact O-N 2.88Å; A200-I203 PolarHBondContact O-N 3.3Å; A200-A204 PolarHBondContact O-N 2.87Å; A200-C220 HydrophobicContact CB-CB 3.65Å
201	A	93.8	Very high	95.5	Very high	63 Å²	63	48.2 Å²	48.2	52%	0.521	25%	0.25	S	C	.	.	H	α-helix	trans	-63.4	-39.3	174.2	0	0	0	0	0	112	S197 A199 A204 R205	S197-A201 WeakPolarHBondContact O-CB 3.45Å; S197-A201 PolarHBondContact O-N 3.12Å; A199-A201 PolarHBondContact O-N 3.31Å; A201-A204 PolarHBondContact O-N 2.86Å; A201-R205 WeakPolarHBondContact O-CB 3.03Å; A201-R205 PolarHBondContact O-N 2.83Å; A201-R205 VanDerWaalsContact O-N 3.09Å
202	L	93.2	Very high	95.4	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-41	176.6	-177	58.7	0	0	0	112.3	L80 V87 K198 A199 A200 R205 N206	L80-L202 WeakPolarHBondContact O-CD1 3.46Å; V87-L202 HydrophobicContact CB-CD2 4.05Å; V87-L202 HydrophobicContact CG1-CD2 3.77Å; V87-L202 HydrophobicContact CG2-CD2 3.69Å; K198-L202 WeakPolarHBondContact O-CB 3.35Å; K198-L202 PolarHBondContact O-N 3.27Å; A199-L202 CarbonylContact O-C 3.59Å; A199-L202 WeakPolarHBondContact O-CA 3.39Å; A199-L202 WeakPolarHBondContact O-CB 3.39Å; A199-L202 PolarHBondContact O-N 3.01Å; A199-L202 VanDerWaalsContact O-N 3.08Å; A200-L202 VanDerWaalsContact C-N 3.32Å; A200-L202 PolarHBondContact O-N 2.88Å; L202-R205 PolarHBondContact O-N 2.9Å; L202-N206 WeakPolarHBondContact CG-ND2 3.19Å; L202-N206 WeakPolarHBondContact O-CB 3.35Å; L202-N206 PolarHBondContact O-N 3.02Å; L202-N206 PolarHBondContact O-ND2 2.56Å
203	I	95.9	Very high	95.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-49.7	173.8	-69	163.5	0	0	0	110.1	A171 A192 D194 A199 A200 R205 N206 A207 L216 P218	A171-I203 HydrophobicContact CB-CD1 3.63Å; A171-I203 HydrophobicContact CB-CG1 4.43Å; A192-I203 HydrophobicContact CB-CD1 4.36Å; A192-I203 HydrophobicContact CB-CG2 3.51Å; D194-I203 HydrophobicContact CB-CD1 4.21Å; A199-I203 VanDerWaalsContact O-CG1 3.23Å; A199-I203 WeakPolarHBondContact O-CG1 3.09Å; A199-I203 PolarHBondContact O-N 3.17Å; A200-I203 PolarHBondContact O-N 3.3Å; I203-R205 VanDerWaalsContact C-N 3.27Å; I203-R205 PolarHBondContact O-N 2.93Å; I203-N206 PolarHBondContact O-N 3.35Å; I203-A207 WeakPolarHBondContact O-CB 3.45Å; I203-A207 PolarHBondContact O-N 2.77Å; I203-L216 HydrophobicContact CG2-CD2 3.66Å; I203-P218 HydrophobicContact CB-CB 4.22Å; I203-P218 HydrophobicContact CG2-CB 3.8Å
204	A	97	Very high	95.3	Very high	30 Å²	30	55.5 Å²	55.5	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-56.2	-45.2	178.7	0	0	0	0	0	111.5	A200 A201 A207 Q208 P218	A200-A204 PolarHBondContact O-N 2.87Å; A201-A204 PolarHBondContact O-N 2.86Å; A204-A207 WeakPolarHBondContact O-CB 3.15Å; A204-A207 PolarHBondContact O-N 3.45Å; A204-Q208 WeakPolarHBondContact O-CG 3.24Å; A204-Q208 PolarHBondContact O-N 3.35Å; A204-Q208 VanDerWaalsContact O-N 3.11Å; A204-P218 HydrophobicContact CB-CB 4.12Å; A204-P218 HydrophobicContact CB-CG 3.75Å
205	R	95	Very high	95.4	Very high	54 Å²	54	54 Å²	54	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-71	-36.8	-178.1	-159.4	174.8	162.1	-133.4	-17.4	112.8	K64 E69 L80 A201 L202 I203 Q208 Y209	K64-R205 PolarHBondContact O-NH2 3.36Å; E69-R205 IonicContact OE1-CZ 3.25Å; E69-R205 IonicContact OE1-NH1 3.03Å; E69-R205 PolarHBondContact OE1-NH1 3.5Å; E69-R205 IonicContact OE1-NH2 2.66Å; E69-R205 IonicContact OE2-CZ 3.01Å; E69-R205 VanDerWaalsContact OE2-CZ 3.25Å; E69-R205 IonicContact OE2-NH1 3.86Å; E69-R205 PolarHBondContact OE2-NH1 2.85Å; E69-R205 IonicContact OE2-NH2 2.99Å; E69-R205 PolarHBondContact OE2-NH2 3.33Å; L80-R205 HydrophobicContact CD1-CG 4.25Å; A201-R205 WeakPolarHBondContact O-CB 3.03Å; A201-R205 PolarHBondContact O-N 2.83Å; A201-R205 VanDerWaalsContact O-N 3.09Å; L202-R205 PolarHBondContact O-N 2.9Å; I203-R205 VanDerWaalsContact C-N 3.27Å; I203-R205 PolarHBondContact O-N 2.93Å; R205-Q208 PolarHBondContact O-N 2.97Å; R205-Y209 WeakPolarHBondContact O-CB 3.47Å; R205-Y209 PolarHBondContact O-N 3.49Å
206	N	95.9	Very high	95.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-36.7	173	-76.6	-37.7	0	0	0	112	I79 L80 S173 V178 L202 I203 Y209 N210	I79-N206 HydrophobicContact CD1-CB 3.96Å; I79-N206 WeakPolarHBondContact CG2-ND2 3.3Å; L80-N206 WeakPolarHBondContact CB-OD1 3.43Å; L80-N206 WeakPolarHBondContact CG-OD1 3.33Å; L80-N206 PolarHBondContact N-OD1 3.26Å; S173-N206 PolarHBondContact O-ND2 3.4Å; V178-N206 HydrophobicContact CG2-CB 4.35Å; L202-N206 WeakPolarHBondContact CG-ND2 3.19Å; L202-N206 WeakPolarHBondContact O-CB 3.35Å; L202-N206 PolarHBondContact O-N 3.02Å; L202-N206 PolarHBondContact O-ND2 2.56Å; I203-N206 PolarHBondContact O-N 3.35Å; N206-Y209 PolarHBondContact O-N 2.79Å; N206-N210 PolarHBondContact O-N 3.16Å; N206-N210 PolarHBondContact O-ND2 3.14Å
207	A	97.3	Very high	95.8	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-46.8	174.1	0	0	0	0	0	111.2	I203 A204 N210 R211 V212 D213 L216	I203-A207 WeakPolarHBondContact O-CB 3.45Å; I203-A207 PolarHBondContact O-N 2.77Å; A204-A207 WeakPolarHBondContact O-CB 3.15Å; A204-A207 PolarHBondContact O-N 3.45Å; A207-N210 PolarHBondContact O-N 2.9Å; A207-R211 PolarHBondContact O-N 3.03Å; A207-V212 HydrophobicContact CB-CG2 4.28Å; A207-V212 PolarHBondContact O-N 3.26Å; A207-D213 HydrophobicContact CB-CB 4.24Å; A207-L216 HydrophobicContact CB-CB 4.2Å; A207-L216 HydrophobicContact CB-CD1 4.22Å; A207-L216 HydrophobicContact CB-CD2 3.97Å; A207-L216 HydrophobicContact CB-CG 4.36Å
208	Q	96.8	Very high	96	Very high	123 Å²	123	47.5 Å²	47.5	58%	0.575	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-45.2	175.2	-70.2	174.2	-16.8	0	0	112.4	A204 R205 N210 R211 D213	A204-Q208 WeakPolarHBondContact O-CG 3.24Å; A204-Q208 PolarHBondContact O-N 3.35Å; A204-Q208 VanDerWaalsContact O-N 3.11Å; R205-Q208 PolarHBondContact O-N 2.97Å; Q208-N210 PolarHBondContact O-N 3.13Å; Q208-R211 PolarHBondContact O-N 3.48Å; Q208-D213 HydrophobicContact CG-CB 4.23Å
209	Y	96	Very high	96.3	Very high	68 Å²	68	40.9 Å²	40.9	27%	0.267	21%	0.212	S	C	.	.	H	α-helix	trans	-59.7	-35	179.6	-174.5	-101.2	0	0	0	112.6	A63 V71 A78 L80 R205 N206	A63-Y209 HydrophobicContact CB-CD2 3.84Å; V71-Y209 HydrophobicContact CG1-CE1 4.44Å; A78-Y209 HydrophobicContact CB-CD1 4.27Å; A78-Y209 HydrophobicContact CB-CE1 3.75Å; A78-Y209 WeakPolarHBondContact O-CD1 3.46Å; L80-Y209 HydrophobicContact CD1-CD2 4.06Å; L80-Y209 HydrophobicContact CD1-CG 4.05Å; L80-Y209 HydrophobicContact CD2-CD1 4.08Å; L80-Y209 HydrophobicContact CD2-CD2 3.92Å; L80-Y209 HydrophobicContact CD2-CE1 4.04Å; L80-Y209 HydrophobicContact CD2-CE2 3.9Å; L80-Y209 HydrophobicContact CD2-CG 4.02Å; L80-Y209 HydrophobicContact CG-CD1 4.27Å; L80-Y209 HydrophobicContact CG-CD2 4.28Å; L80-Y209 HydrophobicContact CG-CG 4.04Å; R205-Y209 WeakPolarHBondContact O-CB 3.47Å; R205-Y209 PolarHBondContact O-N 3.49Å; N206-Y209 PolarHBondContact O-N 2.79Å
210	N	97.1	Very high	96.6	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.123	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.3	177	-68.4	-91.3	0	0	0	113.4	A78 V178 L182 N206 A207 Q208 V212	A78-N210 PolarHBondContact N-OD1 2.73Å; A78-N210 PolarHBondContact O-ND2 2.75Å; A78-N210 PolarHBondContact O-OD1 3.27Å; V178-N210 HydrophobicContact CG1-CB 3.76Å; V178-N210 VanDerWaalsContact CG1-CG 3.47Å; L182-N210 HydrophobicContact CD1-CB 4.24Å; N206-N210 PolarHBondContact O-N 3.16Å; N206-N210 PolarHBondContact O-ND2 3.14Å; A207-N210 PolarHBondContact O-N 2.9Å; Q208-N210 PolarHBondContact O-N 3.13Å; N210-V212 HydrophobicContact CB-CG2 4.09Å; N210-V212 PolarHBondContact O-N 3.25Å
211	R	97.3	Very high	96.8	Very high	105 Å²	105	47 Å²	47	40%	0.396	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	45	-176.5	-45	-170.5	-159.8	-179.2	9.6	113.5	E58 E59 P61 A207 Q208 H214	E58-R211 IonicContact OE2-NH1 2.62Å; E59-R211 PolarHBondContact O-NH2 3.37Å; E59-R211 VanDerWaalsContact O-NH2 3.11Å; P61-R211 VanDerWaalsContact CD-CZ 3.41Å; A207-R211 PolarHBondContact O-N 3.03Å; Q208-R211 PolarHBondContact O-N 3.48Å; R211-H214 PolarHBondContact O-CE1 3.28Å
212	V	97.6	Very high	96.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	23%	0.23	C	C	.	.			trans	-124.1	13.7	179.8	-64.1	0	0	0	0	113.5	V178 A181 L182 A207 N210 H214 L215 L216	V178-V212 HydrophobicContact CG1-CG2 4.45Å; V178-V212 HydrophobicContact CG2-CG2 4.49Å; A181-V212 HydrophobicContact CB-CB 3.78Å; A181-V212 HydrophobicContact CB-CG1 3.88Å; A181-V212 HydrophobicContact CB-CG2 4.12Å; L182-V212 HydrophobicContact CD2-CG1 3.49Å; L182-V212 VanDerWaalsContact CD2-CG1 3.49Å; L182-V212 HydrophobicContact CG-CG1 3.91Å; A207-V212 HydrophobicContact CB-CG2 4.28Å; A207-V212 PolarHBondContact O-N 3.26Å; N210-V212 HydrophobicContact CB-CG2 4.09Å; N210-V212 PolarHBondContact O-N 3.25Å; V212-H214 PolarHBondContact O-N 3.21Å; V212-L215 PolarHBondContact O-N 3.26Å; V212-L216 HydrophobicContact CG2-CB 4.3Å; V212-L216 HydrophobicContact CG2-CD1 4.26Å; V212-L216 WeakPolarHBondContact O-CB 3.2Å; V212-L216 PolarHBondContact O-N 2.98Å
213	D	96.9	Very high	97.2	Very high	80 Å²	80	46.3 Å²	46.3	43%	0.428	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.6	-179.6	55.7	-67.6	0	0	0	114	A207 Q208 L215 Q217	A207-D213 HydrophobicContact CB-CB 4.24Å; Q208-D213 HydrophobicContact CG-CB 4.23Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 2.98Å; D213-Q217 PolarHBondContact O-NE2 2.84Å
214	H	97.6	Very high	97.3	Very high	93 Å²	93	47 Å²	47	43%	0.431	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.7	169.9	63.4	-67.3	0	0	0	113.6	G157 R211 V212	G157-H214 PolarHBondContact O-NE2 2.92Å; R211-H214 PolarHBondContact O-CE1 3.28Å; V212-H214 PolarHBondContact O-N 3.21Å
215	L	97.9	Very high	97.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-39.4	177.9	-80.9	175.3	0	0	0	112.5	G157 K159 A181 L187 S189 V190 V212 D213	G157-L215 WeakPolarHBondContact O-CD1 3.44Å; K159-L215 HydrophobicContact CB-CD2 3.85Å; K159-L215 HydrophobicContact CG-CD2 4.09Å; A181-L215 HydrophobicContact CB-CB 4.38Å; A181-L215 HydrophobicContact CB-CD1 4.37Å; L187-L215 HydrophobicContact CB-CD2 4.4Å; S189-L215 CarbonylContact C-O 3.14Å; S189-L215 WeakPolarHBondContact CA-O 3.42Å; V190-L215 PolarHBondContact N-O 2.97Å; V212-L215 PolarHBondContact O-N 3.26Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 2.98Å
216	L	98.3	Very high	97.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.9	-170	-168.3	171.2	0	0	0	110.5	V178 V190 A192 I203 A207 V212	V178-L216 HydrophobicContact CB-CD1 4.35Å; V178-L216 HydrophobicContact CG2-CD1 3.63Å; V190-L216 HydrophobicContact CB-CG 4.49Å; V190-L216 CarbonylContact O-C 3.4Å; V190-L216 WeakPolarHBondContact O-CA 3.19Å; A192-L216 HydrophobicContact CB-CD2 3.73Å; A192-L216 HydrophobicContact CB-CG 4.36Å; I203-L216 HydrophobicContact CG2-CD2 3.66Å; A207-L216 HydrophobicContact CB-CB 4.2Å; A207-L216 HydrophobicContact CB-CD1 4.22Å; A207-L216 HydrophobicContact CB-CD2 3.97Å; A207-L216 HydrophobicContact CB-CG 4.36Å; V212-L216 HydrophobicContact CG2-CB 4.3Å; V212-L216 HydrophobicContact CG2-CD1 4.26Å; V212-L216 WeakPolarHBondContact O-CB 3.2Å; V212-L216 PolarHBondContact O-N 2.98Å
217	Q	97.2	Very high	97.6	Very high	99 Å²	99	49.1 Å²	49.1	46%	0.463	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.7	178.9	-61.4	-58.2	-42.9	0	0	110.6	V190 T191 A192 D213	V190-Q217 PolarHBondContact O-N 3.46Å; T191-Q217 WeakPolarHBondContact CA-O 3.17Å; A192-Q217 PolarHBondContact N-O 3.33Å; D213-Q217 PolarHBondContact O-NE2 2.84Å
218	P	97.9	Very high	97.6	Very high	53 Å²	53	53.1 Å²	53.1	34%	0.344	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.1	174.4	30.3	-35.1	0	0	0	111.1	A192 I203 A204	A192-P218 CarbonylContact O-C 3.48Å; I203-P218 HydrophobicContact CB-CB 4.22Å; I203-P218 HydrophobicContact CG2-CB 3.8Å; A204-P218 HydrophobicContact CB-CB 4.12Å; A204-P218 HydrophobicContact CB-CG 3.75Å
219	S	97.9	Very high	97.6	Very high	24 Å²	24	52.1 Å²	52.1	17%	0.168	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.4	174.4	-158.6	0	0	0	0	111.2	A192 N193 D194	A192-S219 PolarHBondContact O-N 3.4Å; N193-S219 WeakPolarHBondContact CA-O 3.35Å; D194-S219 PolarHBondContact N-O 3.08Å
220	C	97.8	Very high	97.6	Very high	66 Å²	66	50.6 Å²	50.6	45%	0.446	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	78.4	-179.8	-175.7	0	0	0	0	110.5	D194 S197 A200	D194-C220 CarbonylContact O-C 3.52Å; D194-C220 VanDerWaalsContact O-CA 3.25Å; D194-C220 WeakPolarHBondContact O-CA 3.47Å; S197-C220 VanDerWaalsContact CA-SG 3.6Å; A200-C220 HydrophobicContact CB-CB 3.65Å
221	R	97.6	Very high	97.5	Very high	86 Å²	86	56.3 Å²	56.3	33%	0.325	27%	0.269	S	S	.	.	S	Bend	trans	-144.4	161.5	-172.5	-49.3	-170.2	73.9	-177.9	1.3	112.5	N193 D194 A223 L226 E229	N193-R221 PolarHBondContact ND2-O 3Å; N193-R221 WeakPolarHBondContact OD1-CB 3.42Å; N193-R221 PolarHBondContact OD1-N 3.46Å; N193-R221 VanDerWaalsContact OD1-N 3.11Å; N193-R221 PolarHBondContact OD1-O 3.46Å; D194-R221 PolarHBondContact O-N 3.34Å; D194-R221 VanDerWaalsContact O-N 3.16Å; R221-A223 PolarHBondContact O-N 3.47Å; R221-L226 HydrophobicContact CB-CB 4.27Å; R221-E229 IonicContact CZ-OE1 3.55Å; R221-E229 IonicContact CZ-OE2 2.79Å; R221-E229 IonicContact NH1-OE1 3.81Å; R221-E229 IonicContact NH1-OE2 3.37Å; R221-E229 PolarHBondContact NH1-OE2 2.76Å; R221-E229 IonicContact NH2-OE1 2.67Å; R221-E229 PolarHBondContact NH2-OE1 3.49Å; R221-E229 IonicContact NH2-OE2 3.5Å; R221-E229 PolarHBondContact NH2-OE2 3.34Å
222	D	97.6	Very high	97.2	Very high	56 Å²	56	52.4 Å²	52.4	30%	0.299	26%	0.261	S	S	.	.			trans	-63	127.8	159.8	179.7	-87.5	0	0	0	109.5	F195 S224 M225 L226	F195-D222 HydrophobicContact CD2-CB 4.22Å; F195-D222 HydrophobicContact CE2-CB 4.39Å; D222-S224 VanDerWaalsContact C-N 3.33Å; D222-S224 PolarHBondContact O-N 2.87Å; D222-S224 WeakPolarHBondContact OD1-CA 3.44Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.31Å; D222-M225 HydrophobicContact CB-CB 4.09Å; D222-M225 HydrophobicContact CB-CG 4Å; D222-M225 HydrophobicContact CB-SD 4.13Å; D222-M225 PolarHBondContact O-N 2.8Å; D222-M225 PolarHBondContact OD1-N 3.21Å; D222-L226 PolarHBondContact O-N 3.21Å
223	A	97.9	Very high	96.7	Very high	7 Å²	7	61.7 Å²	61.7	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-37.9	-173.4	0	0	0	0	0	112.3	G169 R221 M227 F251	G169-A223 WeakPolarHBondContact O-CB 3.28Å; R221-A223 PolarHBondContact O-N 3.47Å; A223-M227 HydrophobicContact CB-CE 4.47Å; A223-M227 WeakPolarHBondContact O-CB 3.39Å; A223-M227 VanDerWaalsContact O-CE 3.3Å; A223-M227 WeakPolarHBondContact O-CE 2.85Å; A223-M227 WeakPolarHBondContact O-CG 3.45Å; A223-M227 PolarHBondContact O-N 2.87Å; A223-F251 HydrophobicContact CB-CD1 4.04Å; A223-F251 HydrophobicContact CB-CE1 4.08Å
224	S	97.8	Very high	96.4	Very high	14 Å²	14	67.4 Å²	67.4	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-44.2	177.9	-68.9	0	0	0	0	110.9	D222 M227 Y228 A250 F251	D222-S224 VanDerWaalsContact C-N 3.33Å; D222-S224 PolarHBondContact O-N 2.87Å; D222-S224 WeakPolarHBondContact OD1-CA 3.44Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.31Å; S224-M227 PolarHBondContact O-N 2.85Å; S224-Y228 WeakPolarHBondContact O-CD2 3.47Å; S224-Y228 PolarHBondContact O-N 3.05Å; S224-A250 PolarHBondContact OG-O 2.9Å; S224-A250 VanDerWaalsContact OG-O 3.05Å; S224-F251 WeakPolarHBondContact OG-CD1 3.39Å
225	M	97.8	Very high	96.2	Very high	122 Å²	122	67.7 Å²	67.7	60%	0.601	32%	0.324	S	S	*	.	H	α-helix	trans	-59.9	-47.3	175.7	-68.7	-173.8	166.5	0	0	112	D222 M227 Y228 E229	D222-M225 HydrophobicContact CB-CB 4.09Å; D222-M225 HydrophobicContact CB-CG 4Å; D222-M225 HydrophobicContact CB-SD 4.13Å; D222-M225 PolarHBondContact O-N 2.8Å; D222-M225 PolarHBondContact OD1-N 3.21Å; M225-M227 VanDerWaalsContact C-N 3.32Å; M225-M227 PolarHBondContact O-N 3.09Å; M225-Y228 PolarHBondContact O-N 3.34Å; M225-E229 WeakPolarHBondContact O-CG 3.33Å; M225-E229 PolarHBondContact O-N 2.91Å
226	L	98.2	Very high	96.1	Very high	7 Å²	7	70.7 Å²	70.7	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-56.9	-46.7	175.9	173	59.4	0	0	0	111.1	L167 T191 N193 R221 D222 Y228 E229 M230	L167-L226 HydrophobicContact CD1-CD2 3.83Å; T191-L226 HydrophobicContact CG2-CD2 4.34Å; N193-L226 HydrophobicContact CB-CD2 3.76Å; R221-L226 HydrophobicContact CB-CB 4.27Å; D222-L226 PolarHBondContact O-N 3.21Å; L226-Y228 PolarHBondContact O-N 3.03Å; L226-E229 PolarHBondContact O-N 2.73Å; L226-M230 HydrophobicContact CD1-CG 3.99Å; L226-M230 WeakPolarHBondContact O-CG 3.48Å; L226-M230 PolarHBondContact O-N 2.88Å; L226-M230 VanDerWaalsContact O-N 3.13Å
227	M	98.4	Very high	96.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-41.7	178.2	-77.6	-173.2	-71.7	0	0	112.5	L167 A223 S224 M225 E229 M230 R231 I240 L242 F251 A254 A255 A258	L167-M227 HydrophobicContact CD2-CG 3.57Å; L167-M227 HydrophobicContact CD2-SD 4.22Å; A223-M227 HydrophobicContact CB-CE 4.47Å; A223-M227 WeakPolarHBondContact O-CB 3.39Å; A223-M227 VanDerWaalsContact O-CE 3.3Å; A223-M227 WeakPolarHBondContact O-CE 2.85Å; A223-M227 WeakPolarHBondContact O-CG 3.45Å; A223-M227 PolarHBondContact O-N 2.87Å; S224-M227 PolarHBondContact O-N 2.85Å; M225-M227 VanDerWaalsContact C-N 3.32Å; M225-M227 PolarHBondContact O-N 3.09Å; M227-E229 VanDerWaalsContact C-N 3.3Å; M227-E229 PolarHBondContact O-N 3.11Å; M227-M230 CarbonylContact O-C 3.59Å; M227-M230 PolarHBondContact O-N 3.41Å; M227-M230 VanDerWaalsContact O-N 3.14Å; M227-R231 PolarHBondContact O-N 2.92Å; M227-I240 HydrophobicContact SD-CD1 4.3Å; M227-I240 HydrophobicContact SD-CG2 3.98Å; M227-L242 HydrophobicContact CE-CD2 4.02Å; M227-L242 HydrophobicContact SD-CD2 4.3Å; M227-F251 HydrophobicContact CE-CB 4.02Å; M227-A254 HydrophobicContact CB-CB 3.69Å; M227-A254 HydrophobicContact CE-CB 4.03Å; M227-A255 HydrophobicContact CE-CB 4.46Å; M227-A255 VanDerWaalsContact SD-CA 3.58Å; M227-A255 HydrophobicContact SD-CB 3.75Å; M227-A258 HydrophobicContact CB-CB 3.69Å; M227-A258 HydrophobicContact CG-CB 4Å; M227-A258 VanDerWaalsContact O-CB 3.24Å; M227-A258 WeakPolarHBondContact O-CB 3.44Å
228	Y	97.6	Very high	96.2	Very high	86 Å²	86	66.8 Å²	66.8	34%	0.337	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-36	176.6	-76.7	-53.9	0	0	0	113.3	S224 M225 L226 M230 R231 D253 A254	S224-Y228 WeakPolarHBondContact O-CD2 3.47Å; S224-Y228 PolarHBondContact O-N 3.05Å; M225-Y228 PolarHBondContact O-N 3.34Å; L226-Y228 PolarHBondContact O-N 3.03Å; Y228-M230 VanDerWaalsContact C-N 3.3Å; Y228-R231 WeakPolarHBondContact O-CB 3.46Å; Y228-R231 WeakPolarHBondContact O-CD 3.46Å; Y228-R231 WeakPolarHBondContact O-CG 3.16Å; Y228-D253 PolarHBondContact OH-OD2 3.47Å; Y228-A254 HydrophobicContact CD1-CB 4.11Å; Y228-A254 HydrophobicContact CD2-CB 4.1Å; Y228-A254 HydrophobicContact CE1-CB 3.86Å; Y228-A254 HydrophobicContact CE2-CB 3.86Å; Y228-A254 HydrophobicContact CG-CB 4.21Å
229	E	96.8	Very high	96.2	Very high	101 Å²	101	64.2 Å²	64.2	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-68.5	-33.3	175.4	-72.2	178.1	-159.8	0	0	112	R221 M225 L226 M227 R231	R221-E229 IonicContact CZ-OE1 3.55Å; R221-E229 IonicContact CZ-OE2 2.79Å; R221-E229 IonicContact NH1-OE1 3.81Å; R221-E229 IonicContact NH1-OE2 3.37Å; R221-E229 PolarHBondContact NH1-OE2 2.76Å; R221-E229 IonicContact NH2-OE1 2.67Å; R221-E229 PolarHBondContact NH2-OE1 3.49Å; R221-E229 IonicContact NH2-OE2 3.5Å; R221-E229 PolarHBondContact NH2-OE2 3.34Å; M225-E229 WeakPolarHBondContact O-CG 3.33Å; M225-E229 PolarHBondContact O-N 2.91Å; L226-E229 PolarHBondContact O-N 2.73Å; M227-E229 VanDerWaalsContact C-N 3.3Å; M227-E229 PolarHBondContact O-N 3.11Å; E229-R231 PolarHBondContact O-N 3.41Å
230	M	96.4	Very high	96.3	Very high	36 Å²	36	63.1 Å²	63.1	18%	0.177	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	18.3	-179.1	-57.2	-60.7	-83.7	0	0	113.5	L226 M227 Y228 G232 E235 R236 Y237	L226-M230 HydrophobicContact CD1-CG 3.99Å; L226-M230 WeakPolarHBondContact O-CG 3.48Å; L226-M230 PolarHBondContact O-N 2.88Å; L226-M230 VanDerWaalsContact O-N 3.13Å; M227-M230 CarbonylContact O-C 3.59Å; M227-M230 PolarHBondContact O-N 3.41Å; M227-M230 VanDerWaalsContact O-N 3.14Å; Y228-M230 VanDerWaalsContact C-N 3.3Å; M230-G232 VanDerWaalsContact C-N 3.29Å; M230-G232 PolarHBondContact O-N 3.11Å; M230-E235 HydrophobicContact CE-CB 4.31Å; M230-E235 WeakPolarHBondContact CE-O 3.49Å; M230-E235 CarbonylContact O-C 3.6Å; M230-E235 HydrophobicContact SD-CB 4.32Å; M230-R236 VanDerWaalsContact O-CA 3.22Å; M230-R236 WeakPolarHBondContact O-CA 3.24Å; M230-R236 WeakPolarHBondContact O-CG 3.31Å; M230-R236 PolarHBondContact O-N 2.86Å; M230-Y237 HydrophobicContact CB-CD2 4.19Å; M230-Y237 HydrophobicContact CB-CE2 3.64Å; M230-Y237 HydrophobicContact CE-CE1 4.42Å; M230-Y237 HydrophobicContact CE-CE2 4.2Å; M230-Y237 HydrophobicContact CG-CE2 3.63Å
231	R	94.2	Very high	96.3	Very high	143 Å²	143	60 Å²	60	54%	0.54	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.1	179.1	74.8	-172.8	174.7	179	-2.8	114	M227 Y228 E229 R236	M227-R231 PolarHBondContact O-N 2.92Å; Y228-R231 WeakPolarHBondContact O-CB 3.46Å; Y228-R231 WeakPolarHBondContact O-CD 3.46Å; Y228-R231 WeakPolarHBondContact O-CG 3.16Å; E229-R231 PolarHBondContact O-N 3.41Å; R231-R236 PolarHBondContact O-NE 3.33Å; R231-R236 PolarHBondContact O-NH2 3.21Å
232	G	92.9	Very high	96.4	Very high	23 Å²	23	55.9 Å²	55.9	24%	0.237	26%	0.256	C	S	.	.	S	Bend	trans	-61.2	141.3	178.2	0	0	0	0	0	111.7	M230 K234 E235 R236	M230-G232 VanDerWaalsContact C-N 3.29Å; M230-G232 PolarHBondContact O-N 3.11Å; G232-K234 PolarHBondContact O-N 3.14Å; G232-E235 WeakPolarHBondContact CA-OE2 3.25Å; G232-E235 PolarHBondContact O-N 2.77Å; G232-R236 WeakPolarHBondContact O-CG 3.46Å; G232-R236 PolarHBondContact O-N 2.95Å; G232-R236 VanDerWaalsContact O-N 3.1Å
233	K	87.2	Confident	96.3	Very high	197 Å²	197	54.8 Å²	54.8	86%	0.857	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.7	-169.5	-169.1	178.9	-178.5	-179.2	0	113.9
234	K	89.5	Confident	96.1	Very high	201 Å²	201	54.7 Å²	54.7	87%	0.874	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-14	178.7	-63.7	-175.8	178	-177.4	0	113.8	R165 G232	R165-K234 PolarHBondContact NH1-O 3.44Å; R165-K234 VanDerWaalsContact NH1-O 3.11Å; G232-K234 PolarHBondContact O-N 3.14Å
235	E	93	Very high	95.6	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.463	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-18.7	-170.9	-65.5	163.3	154.1	0	0	112.7	R165 M230 G232	R165-E235 VanDerWaalsContact CZ-O 3.25Å; R165-E235 PolarHBondContact NH1-O 3.27Å; R165-E235 PolarHBondContact NH2-O 2.83Å; M230-E235 HydrophobicContact CE-CB 4.31Å; M230-E235 WeakPolarHBondContact CE-O 3.49Å; M230-E235 CarbonylContact O-C 3.6Å; M230-E235 HydrophobicContact SD-CB 4.32Å; G232-E235 WeakPolarHBondContact CA-OE2 3.25Å; G232-E235 PolarHBondContact O-N 2.77Å
236	R	96.5	Very high	95.3	Very high	64 Å²	64	52.9 Å²	52.9	24%	0.242	24%	0.24	C	C	.	.			trans	-51.8	152.1	176.9	-72.9	173.7	-171	-173.8	-1.6	113.4	R165 M230 R231 G232 Q257 A258	R165-R236 PolarHBondContact NH1-O 2.84Å; M230-R236 VanDerWaalsContact O-CA 3.22Å; M230-R236 WeakPolarHBondContact O-CA 3.24Å; M230-R236 WeakPolarHBondContact O-CG 3.31Å; M230-R236 PolarHBondContact O-N 2.86Å; R231-R236 PolarHBondContact O-NE 3.33Å; R231-R236 PolarHBondContact O-NH2 3.21Å; G232-R236 WeakPolarHBondContact O-CG 3.46Å; G232-R236 PolarHBondContact O-N 2.95Å; G232-R236 VanDerWaalsContact O-N 3.1Å; R236-Q257 PolarHBondContact NE-O 2.88Å; R236-A258 VanDerWaalsContact CA-O 3.28Å; R236-A258 WeakPolarHBondContact CA-O 3.06Å; R236-A258 WeakPolarHBondContact CB-O 3.49Å; R236-A258 VanDerWaalsContact CG-O 3.32Å; R236-A258 WeakPolarHBondContact CG-O 3.24Å
237	Y	98.4	Very high	95.2	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.9	174.8	-63.1	-79.5	0	0	0	110.5	R165 L167 M230 V239 I240 A258 V259 S260	R165-Y237 HydrophobicContact CB-CD1 4.25Å; R165-Y237 CarbonylContact O-C 3.58Å; L167-Y237 HydrophobicContact CB-CD1 3.73Å; L167-Y237 HydrophobicContact CB-CD2 3.76Å; L167-Y237 HydrophobicContact CB-CE1 3.9Å; L167-Y237 HydrophobicContact CB-CE2 3.92Å; L167-Y237 HydrophobicContact CB-CG 3.66Å; L167-Y237 HydrophobicContact CD1-CE2 4.44Å; L167-Y237 HydrophobicContact CD2-CD2 3.84Å; L167-Y237 HydrophobicContact CD2-CE2 3.66Å; L167-Y237 HydrophobicContact CG-CD2 4.38Å; L167-Y237 HydrophobicContact CG-CE2 4.22Å; M230-Y237 HydrophobicContact CB-CD2 4.19Å; M230-Y237 HydrophobicContact CB-CE2 3.64Å; M230-Y237 HydrophobicContact CE-CE1 4.42Å; M230-Y237 HydrophobicContact CE-CE2 4.2Å; M230-Y237 HydrophobicContact CG-CE2 3.63Å; Y237-V239 VanDerWaalsContact C-N 3.32Å; Y237-I240 HydrophobicContact CD2-CD1 4.37Å; Y237-I240 HydrophobicContact CD2-CG1 4.41Å; Y237-I240 HydrophobicContact CG-CG1 4.42Å; Y237-A258 PolarHBondContact N-O 3.04Å; Y237-V259 CarbonylContact O-C 3.55Å; Y237-V259 WeakPolarHBondContact O-CA 3.23Å; Y237-S260 PolarHBondContact O-N 3.28Å
238	D	98.6	Very high	95.1	Very high	14 Å²	14	53.6 Å²	53.6	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-29.3	172.7	-62.1	-63.1	0	0	0	112	R115 L164 R165 S260 G263 L264	R115-D238 IonicContact CZ-OD1 2.87Å; R115-D238 IonicContact NH1-OD2 3.53Å; R115-D238 IonicContact NH2-OD1 3.21Å; R115-D238 PolarHBondContact NH2-OD1 2.82Å; R115-D238 IonicContact NH2-OD2 2.85Å; L164-D238 WeakPolarHBondContact CA-OD2 3.33Å; L164-D238 HydrophobicContact CB-CB 4.3Å; L164-D238 HydrophobicContact CD2-CB 3.93Å; R165-D238 PolarHBondContact N-OD2 3.49Å; R165-D238 PolarHBondContact O-N 3.17Å; D238-S260 WeakPolarHBondContact CA-OG 3.42Å; D238-S260 PolarHBondContact OD1-OG 2.9Å; D238-S260 VanDerWaalsContact OD1-OG 3.08Å; D238-G263 CarbonylContact O-C 3.54Å; D238-G263 VanDerWaalsContact O-CA 3.27Å; D238-G263 WeakPolarHBondContact O-CA 3.19Å; D238-L264 PolarHBondContact O-N 3.08Å
239	V	98.9	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132	176	-173.7	0	0	0	0	109.6	I104 F107 L164 R165 V166 L167 Y237 L264	I104-V239 HydrophobicContact CD1-CG1 3.92Å; I104-V239 HydrophobicContact CG1-CG1 4.07Å; I104-V239 HydrophobicContact CG2-CG2 4.33Å; F107-V239 HydrophobicContact CD1-CG2 3.9Å; F107-V239 HydrophobicContact CE1-CG2 3.67Å; L164-V239 HydrophobicContact CD1-CG2 4.23Å; R165-V239 PolarHBondContact O-N 3.47Å; V166-V239 CarbonylContact C-O 3.58Å; V166-V239 WeakPolarHBondContact CA-O 2.9Å; V166-V239 HydrophobicContact CB-CB 4.37Å; V166-V239 HydrophobicContact CG1-CB 4.09Å; V166-V239 HydrophobicContact CG1-CG1 4.27Å; V166-V239 HydrophobicContact CG2-CB 4.01Å; V166-V239 HydrophobicContact CG2-CG2 4.18Å; L167-V239 PolarHBondContact N-O 2.88Å; Y237-V239 VanDerWaalsContact C-N 3.32Å; V239-L264 CarbonylContact C-O 3.41Å; V239-L264 VanDerWaalsContact CA-O 3.27Å; V239-L264 WeakPolarHBondContact CA-O 3.4Å; V239-L264 HydrophobicContact CG1-CB 4.35Å; V239-L264 HydrophobicContact CG1-CD2 4.18Å; V239-L264 HydrophobicContact CG1-CG 4.4Å; V239-L264 HydrophobicContact CG2-CB 4.25Å
240	I	98.9	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.5	170	-55.5	-179.7	0	0	0	109.1	L167 M227 Y237 L242 A258 V259 L264 L265 C266	L167-I240 HydrophobicContact CB-CG1 4.31Å; L167-I240 HydrophobicContact CD2-CG1 4.48Å; L167-I240 HydrophobicContact CD2-CG2 4.09Å; L167-I240 HydrophobicContact CG-CG2 4.41Å; L167-I240 WeakPolarHBondContact O-CA 2.94Å; M227-I240 HydrophobicContact SD-CD1 4.3Å; M227-I240 HydrophobicContact SD-CG2 3.98Å; Y237-I240 HydrophobicContact CD2-CD1 4.37Å; Y237-I240 HydrophobicContact CD2-CG1 4.41Å; Y237-I240 HydrophobicContact CG-CG1 4.42Å; I240-L242 HydrophobicContact CG2-CD2 4.24Å; I240-L242 HydrophobicContact CG2-CG 4.21Å; I240-A258 HydrophobicContact CD1-CB 3.71Å; I240-V259 HydrophobicContact CD1-CB 3.99Å; I240-V259 HydrophobicContact CG1-CB 4.44Å; I240-L264 PolarHBondContact N-O 3.05Å; I240-L265 HydrophobicContact CB-CD2 3.63Å; I240-L265 HydrophobicContact CD1-CD2 4.12Å; I240-L265 HydrophobicContact CG1-CD2 4.16Å; I240-L265 HydrophobicContact CG2-CD2 4.34Å; I240-C266 PolarHBondContact O-N 2.77Å
241	D	98.8	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.3	173.5	-166.1	-75.3	0	0	0	110.5	T100 L167 G169 R176 F180 C266 R333	T100-D241 WeakPolarHBondContact CG2-OD2 3.48Å; L167-D241 PolarHBondContact O-N 3.31Å; G169-D241 PolarHBondContact N-O 3.23Å; R176-D241 WeakPolarHBondContact CD-OD1 2.88Å; R176-D241 IonicContact CZ-OD1 3.09Å; R176-D241 IonicContact CZ-OD2 3.97Å; R176-D241 IonicContact NE-OD1 3.74Å; R176-D241 PolarHBondContact NE-OD1 3.4Å; R176-D241 IonicContact NH1-OD1 3.58Å; R176-D241 PolarHBondContact NH1-OD1 3.38Å; R176-D241 IonicContact NH1-OD2 2.84Å; R176-D241 PolarHBondContact NH1-OD2 2.83Å; F180-D241 HydrophobicContact CE2-CB 4.41Å; D241-C266 WeakPolarHBondContact CA-O 3.3Å; D241-R333 IonicContact OD1-NH2 2.9Å; D241-R333 IonicContact OD2-CZ 3.94Å; D241-R333 IonicContact OD2-NH1 2.74Å; D241-R333 IonicContact OD2-NH2 3.75Å; D241-R333 PolarHBondContact OD2-NH2 3.36Å
242	L	98.5	Very high	95.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	107.5	172.6	-64.4	-178.7	0	0	0	109.8	L170 M227 I240 P244 F251 L252 A255 C266 T268 R333	L170-L242 HydrophobicContact CD1-CD2 4.14Å; M227-L242 HydrophobicContact CE-CD2 4.02Å; M227-L242 HydrophobicContact SD-CD2 4.3Å; I240-L242 HydrophobicContact CG2-CD2 4.24Å; I240-L242 HydrophobicContact CG2-CG 4.21Å; L242-P244 VanDerWaalsContact C-CD 3.4Å; L242-P244 WeakPolarHBondContact O-CD 3.47Å; L242-F251 HydrophobicContact CD1-CB 3.75Å; L242-F251 HydrophobicContact CD2-CB 4.12Å; L242-L252 HydrophobicContact CD1-CD2 4.34Å; L242-A255 HydrophobicContact CD1-CB 3.75Å; L242-C266 PolarHBondContact N-O 2.92Å; L242-T268 PolarHBondContact O-N 2.84Å; L242-R333 PolarHBondContact O-NH1 3.08Å
243	D	96.1	Very high	95.7	Very high	32 Å²	32	42.9 Å²	42.9	17%	0.171	21%	0.214	C	C	.	.			trans	-125.1	61.6	178.5	-164.3	25.8	0	0	0	112.3	R176 T268	R176-D243 IonicContact CZ-OD2 2.58Å; R176-D243 IonicContact NE-OD2 2.69Å; R176-D243 IonicContact NH2-OD2 2.72Å; R176-D243 PolarHBondContact NH2-OD2 2.98Å; D243-T268 WeakPolarHBondContact OD1-CB 3.39Å; D243-T268 WeakPolarHBondContact OD1-CG2 3.4Å; D243-T268 PolarHBondContact OD1-OG1 2.87Å
244	P	94.3	Very high	96.2	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.032	17%	0.173	C	C	.	.			trans	-78.4	162.3	-176.9	32.7	-33.8	0	0	0	112.3	L170 L242 G246 P248 F251	L170-P244 HydrophobicContact CD1-CB 4.07Å; L170-P244 HydrophobicContact CD2-CB 3.87Å; L242-P244 VanDerWaalsContact C-CD 3.4Å; L242-P244 WeakPolarHBondContact O-CD 3.47Å; P244-G246 PolarHBondContact O-N 3.32Å; P244-P248 HydrophobicContact CG-CB 3.74Å; P244-F251 HydrophobicContact CB-CD2 4.41Å; P244-F251 HydrophobicContact CB-CE2 3.94Å; P244-F251 HydrophobicContact CG-CD2 4.4Å; P244-F251 HydrophobicContact CG-CE2 4.38Å
245	Y	85.8	Confident	96.6	Very high	81 Å²	81	23.9 Å²	23.9	32%	0.318	13%	0.132	S	C	.	.	S	Bend	trans	-72.4	121	163.1	-66.2	-94.2	0	0	0	111	F88 S247 R573	F88-Y245 WeakPolarHBondContact CB-OH 3.34Å; F88-Y245 HydrophobicContact CD1-CE1 4.14Å; F88-Y245 AromaticContact CD1-CZ 3.64Å; F88-Y245 WeakPolarHBondContact CD1-OH 3.39Å; F88-Y245 AromaticContact CD2-CE1 3.79Å; F88-Y245 HydrophobicContact CD2-CE1 3.79Å; F88-Y245 AromaticContact CD2-CZ 3.76Å; F88-Y245 WeakPolarHBondContact CD2-OH 3.4Å; F88-Y245 AromaticContact CE1-CE1 3.74Å; F88-Y245 HydrophobicContact CE1-CE1 3.74Å; F88-Y245 AromaticContact CE1-CZ 3.66Å; F88-Y245 WeakPolarHBondContact CE1-OH 3.41Å; F88-Y245 AromaticContact CE2-CE1 3.34Å; F88-Y245 HydrophobicContact CE2-CE1 3.34Å; F88-Y245 AromaticContact CE2-CZ 3.77Å; F88-Y245 WeakPolarHBondContact CE2-OH 3.27Å; F88-Y245 HydrophobicContact CG-CE1 4.16Å; F88-Y245 AromaticContact CG-CZ 3.69Å; F88-Y245 WeakPolarHBondContact CG-OH 3.43Å; F88-Y245 HydrophobicContact CZ-CD1 4.35Å; F88-Y245 AromaticContact CZ-CE1 3.31Å; F88-Y245 HydrophobicContact CZ-CE1 3.31Å; F88-Y245 AromaticContact CZ-CZ 3.72Å; Y245-S247 PolarHBondContact O-N 2.98Å; Y245-R573 HydrophobicContact CD1-CB 3.91Å; Y245-R573 HydrophobicContact CD1-CG 4.37Å; Y245-R573 HydrophobicContact CD2-CB 4.42Å; Y245-R573 HydrophobicContact CD2-CG 3.99Å; Y245-R573 HydrophobicContact CE1-CB 4.01Å; Y245-R573 HydrophobicContact CE1-CG 4.39Å; Y245-R573 HydrophobicContact CE2-CG 4.08Å; Y245-R573 HydrophobicContact CG-CB 4.05Å; Y245-R573 HydrophobicContact CG-CG 4.1Å
246	G	91.9	Very high	96.9	Very high	18 Å²	18	19.2 Å²	19.2	19%	0.186	11%	0.109	C	C	.	.	S	Bend	trans	82.7	-110.4	179.5	0	0	0	0	0	110.5	P244 T270 D271	P244-G246 PolarHBondContact O-N 3.32Å; G246-T270 WeakPolarHBondContact CA-OG1 3.42Å; G246-T270 PolarHBondContact N-OG1 3.5Å; G246-T270 PolarHBondContact O-N 3.45Å; G246-D271 PolarHBondContact O-N 3.32Å
247	S	95.9	Very high	96.9	Very high	22 Å²	22	17.1 Å²	17.1	15%	0.154	10%	0.103	C	C	.	.			trans	-103.1	135.4	-168	-172.9	0	0	0	0	112.2	Y245 A249 D271 Y287	Y245-S247 PolarHBondContact O-N 2.98Å; S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 VanDerWaalsContact OG-CB 3.29Å; S247-A249 WeakPolarHBondContact OG-CB 3.46Å; S247-A249 PolarHBondContact OG-N 3.05Å; S247-D271 VanDerWaalsContact CB-OD2 3.27Å; S247-D271 WeakPolarHBondContact CB-OD2 3.48Å; S247-Y287 WeakPolarHBondContact CB-OH 3.29Å; S247-Y287 VanDerWaalsContact OG-CZ 3.27Å; S247-Y287 PolarHBondContact OG-OH 2.83Å
248	P	97.5	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.			trans	-83.6	-1.2	168.9	35	-36.4	0	0	0	114.3	P244 A250 F251 L252 V267 C269 Y287 I305	P244-P248 HydrophobicContact CG-CB 3.74Å; P248-A250 PolarHBondContact O-N 2.97Å; P248-F251 PolarHBondContact O-N 2.97Å; P248-L252 HydrophobicContact CB-CD2 3.9Å; P248-L252 HydrophobicContact CB-CG 4.49Å; P248-L252 HydrophobicContact CG-CD2 4.15Å; P248-L252 WeakPolarHBondContact O-CG 3.42Å; P248-L252 PolarHBondContact O-N 3.25Å; P248-V267 HydrophobicContact CB-CG1 3.82Å; P248-V267 HydrophobicContact CG-CG1 3.59Å; P248-C269 VanDerWaalsContact CG-SG 3.51Å; P248-Y287 WeakPolarHBondContact CD-OH 3.5Å; P248-I305 HydrophobicContact CG-CD1 4.07Å
249	A	97.5	Very high	96.9	Very high	15 Å²	15	16.3 Å²	16.3	12%	0.124	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-37.8	-169	0	0	0	0	0	115.1	S247 F251 K286 Y287	S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 VanDerWaalsContact OG-CB 3.29Å; S247-A249 WeakPolarHBondContact OG-CB 3.46Å; S247-A249 PolarHBondContact OG-N 3.05Å; A249-F251 PolarHBondContact O-N 3.19Å; A249-K286 HydrophobicContact CB-CB 3.92Å; A249-K286 HydrophobicContact CB-CG 4.36Å; A249-K286 WeakPolarHBondContact CB-O 3.11Å; A249-Y287 HydrophobicContact CB-CD1 4.45Å; A249-Y287 HydrophobicContact CB-CE1 4.14Å
250	A	96.9	Very high	96.9	Very high	76 Å²	76	17.1 Å²	17.1	63%	0.628	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.3	-179.4	0	0	0	0	0	114.2	S224 P248	S224-A250 PolarHBondContact OG-O 2.9Å; S224-A250 VanDerWaalsContact OG-O 3.05Å; P248-A250 PolarHBondContact O-N 2.97Å
251	F	98.4	Very high	96.8	Very high	33 Å²	33	21.8 Å²	21.8	15%	0.145	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-18.3	-173.8	-51.3	-65.4	0	0	0	112.6	L170 A223 S224 M227 L242 P244 P248 A249 D253 A254 A255	L170-F251 HydrophobicContact CD1-CD2 4.44Å; L170-F251 HydrophobicContact CD1-CE2 4.37Å; L170-F251 HydrophobicContact CD2-CE2 4.09Å; L170-F251 HydrophobicContact CD2-CZ 3.97Å; A223-F251 HydrophobicContact CB-CD1 4.04Å; A223-F251 HydrophobicContact CB-CE1 4.08Å; S224-F251 WeakPolarHBondContact OG-CD1 3.39Å; M227-F251 HydrophobicContact CE-CB 4.02Å; L242-F251 HydrophobicContact CD1-CB 3.75Å; L242-F251 HydrophobicContact CD2-CB 4.12Å; P244-F251 HydrophobicContact CB-CD2 4.41Å; P244-F251 HydrophobicContact CB-CE2 3.94Å; P244-F251 HydrophobicContact CG-CD2 4.4Å; P244-F251 HydrophobicContact CG-CE2 4.38Å; P248-F251 PolarHBondContact O-N 2.97Å; A249-F251 PolarHBondContact O-N 3.19Å; F251-D253 VanDerWaalsContact C-N 3.35Å; F251-D253 PolarHBondContact O-N 3.45Å; F251-A254 PolarHBondContact O-N 3.43Å; F251-A255 WeakPolarHBondContact O-CB 3.38Å; F251-A255 PolarHBondContact O-N 3.43Å
252	L	98.4	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-39	-170.4	-60.7	-177	0	0	0	113	L242 P248 A255 V256 V267 I305 L309	L242-L252 HydrophobicContact CD1-CD2 4.34Å; P248-L252 HydrophobicContact CB-CD2 3.9Å; P248-L252 HydrophobicContact CB-CG 4.49Å; P248-L252 HydrophobicContact CG-CD2 4.15Å; P248-L252 WeakPolarHBondContact O-CG 3.42Å; P248-L252 PolarHBondContact O-N 3.25Å; L252-A255 PolarHBondContact O-N 2.55Å; L252-V256 WeakPolarHBondContact O-CG1 3.36Å; L252-V256 PolarHBondContact O-N 2.86Å; L252-V256 VanDerWaalsContact O-N 3.1Å; L252-V267 HydrophobicContact CD2-CG1 3.96Å; L252-V267 HydrophobicContact CD2-CG2 4.31Å; L252-I305 HydrophobicContact CD1-CD1 3.65Å; L252-I305 HydrophobicContact CD2-CD1 4.33Å; L252-L309 HydrophobicContact CB-CD2 4.49Å; L252-L309 HydrophobicContact CD2-CD2 3.96Å
253	D	97.8	Very high	96.7	Very high	39 Å²	39	21.9 Å²	21.9	21%	0.209	13%	0.128	C	C	.	.	H	α-helix	trans	-66.5	-43.9	-178	-167.8	77.7	0	0	0	112.4	Y228 F251 V256 Q257 Y316	Y228-D253 PolarHBondContact OH-OD2 3.47Å; F251-D253 VanDerWaalsContact C-N 3.35Å; F251-D253 PolarHBondContact O-N 3.45Å; D253-V256 WeakPolarHBondContact O-CG2 3.41Å; D253-Q257 PolarHBondContact O-NE2 3.22Å; D253-Q257 PolarHBondContact OD2-NE2 2.86Å; D253-Y316 PolarHBondContact OD2-OH 2.87Å; D253-Y316 VanDerWaalsContact OD2-OH 3.1Å
254	A	98.3	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.3	-39.6	175.4	0	0	0	0	0	111.3	M227 Y228 F251 Q257 A258	M227-A254 HydrophobicContact CB-CB 3.69Å; M227-A254 HydrophobicContact CE-CB 4.03Å; Y228-A254 HydrophobicContact CD1-CB 4.11Å; Y228-A254 HydrophobicContact CD2-CB 4.1Å; Y228-A254 HydrophobicContact CE1-CB 3.86Å; Y228-A254 HydrophobicContact CE2-CB 3.86Å; Y228-A254 HydrophobicContact CG-CB 4.21Å; F251-A254 PolarHBondContact O-N 3.43Å; A254-Q257 PolarHBondContact O-N 3.43Å; A254-Q257 VanDerWaalsContact O-N 3.17Å; A254-A258 VanDerWaalsContact O-CB 3.31Å; A254-A258 WeakPolarHBondContact O-CB 3.25Å; A254-A258 PolarHBondContact O-N 3.18Å
255	A	98.5	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-45.2	-179.3	0	0	0	0	0	113.1	M227 L242 F251 L252 Q257 A258 V259 L265	M227-A255 HydrophobicContact CE-CB 4.46Å; M227-A255 VanDerWaalsContact SD-CA 3.58Å; M227-A255 HydrophobicContact SD-CB 3.75Å; L242-A255 HydrophobicContact CD1-CB 3.75Å; F251-A255 WeakPolarHBondContact O-CB 3.38Å; F251-A255 PolarHBondContact O-N 3.43Å; L252-A255 PolarHBondContact O-N 2.55Å; A255-Q257 PolarHBondContact O-N 2.85Å; A255-Q257 VanDerWaalsContact O-N 3.14Å; A255-A258 PolarHBondContact O-N 2.96Å; A255-V259 WeakPolarHBondContact O-CG1 3.18Å; A255-V259 PolarHBondContact O-N 3.11Å; A255-V259 VanDerWaalsContact O-N 3.07Å; A255-L265 HydrophobicContact CB-CD1 4.42Å; A255-L265 HydrophobicContact CB-CD2 4.13Å
256	V	98.3	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-15.3	177.7	-62.1	0	0	0	0	113.1	L252 D253 L265 L309 R312 A313 Y316 R318	L252-V256 WeakPolarHBondContact O-CG1 3.36Å; L252-V256 PolarHBondContact O-N 2.86Å; L252-V256 VanDerWaalsContact O-N 3.1Å; D253-V256 WeakPolarHBondContact O-CG2 3.41Å; V256-L265 HydrophobicContact CG1-CD1 3.95Å; V256-L309 HydrophobicContact CG1-CD2 4.08Å; V256-R312 HydrophobicContact CG2-CB 4.14Å; V256-A313 HydrophobicContact CB-CB 4.28Å; V256-A313 HydrophobicContact CG1-CB 4.22Å; V256-Y316 HydrophobicContact CG2-CD2 4.25Å; V256-Y316 HydrophobicContact CG2-CE2 4.44Å; V256-R318 WeakPolarHBondContact O-CD 3.35Å; V256-R318 VanDerWaalsContact O-CZ 3.22Å; V256-R318 PolarHBondContact O-NE 3.33Å; V256-R318 PolarHBondContact O-NH1 2.9Å
257	Q	97.8	Very high	98	Very high	21 Å²	21	15.6 Å²	15.6	10%	0.098	10%	0.095	C	C	.	.	H	α-helix	trans	-94.4	-37.6	174.4	-71	173.4	77.7	0	0	112.6	R236 D253 A254 A255 Y316 R318	R236-Q257 PolarHBondContact NE-O 2.88Å; D253-Q257 PolarHBondContact O-NE2 3.22Å; D253-Q257 PolarHBondContact OD2-NE2 2.86Å; A254-Q257 PolarHBondContact O-N 3.43Å; A254-Q257 VanDerWaalsContact O-N 3.17Å; A255-Q257 PolarHBondContact O-N 2.85Å; A255-Q257 VanDerWaalsContact O-N 3.14Å; Q257-Y316 HydrophobicContact CG-CD1 4.2Å; Q257-Y316 HydrophobicContact CG-CD2 3.71Å; Q257-Y316 HydrophobicContact CG-CE1 4.21Å; Q257-Y316 HydrophobicContact CG-CE2 3.73Å; Q257-Y316 HydrophobicContact CG-CG 3.96Å; Q257-Y316 VanDerWaalsContact NE2-CE2 3.29Å; Q257-Y316 PolarHBondContact NE2-OH 3.2Å; Q257-R318 PolarHBondContact O-NH1 3.39Å
258	A	98.1	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-80.5	-19.3	-175.5	0	0	0	0	0	114.2	M227 R236 Y237 I240 A254 A255	M227-A258 HydrophobicContact CB-CB 3.69Å; M227-A258 HydrophobicContact CG-CB 4Å; M227-A258 VanDerWaalsContact O-CB 3.24Å; M227-A258 WeakPolarHBondContact O-CB 3.44Å; R236-A258 VanDerWaalsContact CA-O 3.28Å; R236-A258 WeakPolarHBondContact CA-O 3.06Å; R236-A258 WeakPolarHBondContact CB-O 3.49Å; R236-A258 VanDerWaalsContact CG-O 3.32Å; R236-A258 WeakPolarHBondContact CG-O 3.24Å; Y237-A258 PolarHBondContact N-O 3.04Å; I240-A258 HydrophobicContact CD1-CB 3.71Å; A254-A258 VanDerWaalsContact O-CB 3.31Å; A254-A258 WeakPolarHBondContact O-CB 3.25Å; A254-A258 PolarHBondContact O-N 3.18Å; A255-A258 PolarHBondContact O-N 2.96Å
259	V	98.5	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	138.8	174.8	67.2	0	0	0	0	111	Y237 I240 A255 G263 L265 R318 V338	Y237-V259 CarbonylContact O-C 3.55Å; Y237-V259 WeakPolarHBondContact O-CA 3.23Å; I240-V259 HydrophobicContact CD1-CB 3.99Å; I240-V259 HydrophobicContact CG1-CB 4.44Å; A255-V259 WeakPolarHBondContact O-CG1 3.18Å; A255-V259 PolarHBondContact O-N 3.11Å; A255-V259 VanDerWaalsContact O-N 3.07Å; V259-G263 VanDerWaalsContact CG2-C 3.44Å; V259-L265 HydrophobicContact CB-CD2 3.64Å; V259-L265 HydrophobicContact CB-CG 4.12Å; V259-L265 HydrophobicContact CG1-CD1 4.25Å; V259-L265 HydrophobicContact CG1-CD2 3.99Å; V259-L265 HydrophobicContact CG1-CG 4.02Å; V259-L265 HydrophobicContact CG2-CD2 3.93Å; V259-L265 HydrophobicContact CG2-CG 4.18Å; V259-R318 PolarHBondContact O-NH1 3.43Å; V259-R318 PolarHBondContact O-NH2 3.33Å; V259-V338 HydrophobicContact CG1-CB 3.66Å; V259-V338 HydrophobicContact CG1-CG1 4.11Å; V259-V338 HydrophobicContact CG1-CG2 3.8Å
260	S	97.7	Very high	97.9	Very high	17 Å²	17	16.2 Å²	16.2	12%	0.119	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	171.5	-179.7	75	0	0	0	0	112	Y237 D238 G262 G263 R318	Y237-S260 PolarHBondContact O-N 3.28Å; D238-S260 WeakPolarHBondContact CA-OG 3.42Å; D238-S260 PolarHBondContact OD1-OG 2.9Å; D238-S260 VanDerWaalsContact OD1-OG 3.08Å; S260-G262 PolarHBondContact O-N 3.39Å; S260-G263 PolarHBondContact O-N 2.76Å; S260-R318 PolarHBondContact O-NH2 2.87Å
261	E	96.8	Very high	97.8	Very high	97 Å²	97	13.3 Å²	13.3	45%	0.453	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.1	178.4	-176	58.4	-148.9	0	0	110.1	G263 F339 T340	E261-G263 PolarHBondContact O-N 2.58Å; E261-F339 VanDerWaalsContact OE1-CA 3.27Å; E261-F339 WeakPolarHBondContact OE1-CA 3.46Å; E261-T340 VanDerWaalsContact CD-N 3.35Å; E261-T340 PolarHBondContact OE1-N 2.95Å; E261-T340 VanDerWaalsContact OE2-CB 3.25Å; E261-T340 WeakPolarHBondContact OE2-CB 3.19Å; E261-T340 PolarHBondContact OE2-N 3.34Å; E261-T340 VanDerWaalsContact OE2-N 3.14Å; E261-T340 PolarHBondContact OE2-OG1 3.26Å
262	G	97.5	Very high	97.5	Very high	3 Å²	3	12.9 Å²	12.9	3%	0.031	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.6	12.8	-172.4	0	0	0	0	0	114.1	S260 R337 V338 F339	S260-G262 PolarHBondContact O-N 3.39Å; G262-R337 PolarHBondContact O-NE 3.22Å; G262-R337 PolarHBondContact O-NH2 3.23Å; G262-V338 WeakPolarHBondContact CA-O 3.38Å; G262-V338 PolarHBondContact N-O 3.35Å; G262-F339 VanDerWaalsContact CA-CD1 3.47Å
263	G	98.3	Very high	97.3	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	163.2	176.9	0	0	0	0	0	112.5	D238 V259 S260 E261 R337 V338	D238-G263 CarbonylContact O-C 3.54Å; D238-G263 VanDerWaalsContact O-CA 3.27Å; D238-G263 WeakPolarHBondContact O-CA 3.19Å; V259-G263 VanDerWaalsContact CG2-C 3.44Å; S260-G263 PolarHBondContact O-N 2.76Å; E261-G263 PolarHBondContact O-N 2.58Å; G263-R337 VanDerWaalsContact O-CA 3.27Å; G263-R337 WeakPolarHBondContact O-CA 3.38Å; G263-V338 PolarHBondContact O-N 3.38Å
264	L	98.9	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124	-173.2	-180	65.5	0	0	0	111.3	V103 I104 F107 D238 V239 I240 L323 F335	V103-L264 HydrophobicContact CG1-CD2 4.11Å; I104-L264 HydrophobicContact CG1-CD2 4.05Å; F107-L264 HydrophobicContact CB-CD2 4Å; F107-L264 HydrophobicContact CD1-CB 4.06Å; F107-L264 HydrophobicContact CD1-CD2 4.09Å; F107-L264 HydrophobicContact CD2-CB 4.04Å; F107-L264 HydrophobicContact CD2-CD2 4.47Å; F107-L264 HydrophobicContact CE1-CB 3.94Å; F107-L264 HydrophobicContact CE2-CB 3.91Å; F107-L264 HydrophobicContact CG-CB 4.1Å; F107-L264 HydrophobicContact CG-CD2 3.93Å; F107-L264 HydrophobicContact CZ-CB 3.85Å; D238-L264 PolarHBondContact O-N 3.08Å; V239-L264 CarbonylContact C-O 3.41Å; V239-L264 VanDerWaalsContact CA-O 3.27Å; V239-L264 WeakPolarHBondContact CA-O 3.4Å; V239-L264 HydrophobicContact CG1-CB 4.35Å; V239-L264 HydrophobicContact CG1-CD2 4.18Å; V239-L264 HydrophobicContact CG1-CG 4.4Å; V239-L264 HydrophobicContact CG2-CB 4.25Å; I240-L264 PolarHBondContact N-O 3.05Å; L264-L323 HydrophobicContact CD1-CD1 3.87Å; L264-F335 HydrophobicContact CD1-CB 4.31Å
265	L	98.8	Very high	97	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.6	165.7	-69.1	-173.9	0	0	0	109.7	I240 A255 V256 V259 L309 F335 V336 V338	I240-L265 HydrophobicContact CB-CD2 3.63Å; I240-L265 HydrophobicContact CD1-CD2 4.12Å; I240-L265 HydrophobicContact CG1-CD2 4.16Å; I240-L265 HydrophobicContact CG2-CD2 4.34Å; A255-L265 HydrophobicContact CB-CD1 4.42Å; A255-L265 HydrophobicContact CB-CD2 4.13Å; V256-L265 HydrophobicContact CG1-CD1 3.95Å; V259-L265 HydrophobicContact CB-CD2 3.64Å; V259-L265 HydrophobicContact CB-CG 4.12Å; V259-L265 HydrophobicContact CG1-CD1 4.25Å; V259-L265 HydrophobicContact CG1-CD2 3.99Å; V259-L265 HydrophobicContact CG1-CG 4.02Å; V259-L265 HydrophobicContact CG2-CD2 3.93Å; V259-L265 HydrophobicContact CG2-CG 4.18Å; L265-L309 HydrophobicContact CD1-CD2 4.36Å; L265-F335 WeakPolarHBondContact O-CA 3.48Å; L265-V336 HydrophobicContact CB-CG2 3.78Å; L265-V336 HydrophobicContact CD1-CG2 4.4Å; L265-V336 PolarHBondContact N-O 2.74Å; L265-V336 PolarHBondContact O-N 3Å; L265-V338 HydrophobicContact CD1-CG2 3.55Å; L265-V338 HydrophobicContact CG-CG2 3.81Å
266	C	98.8	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.3	175.1	-38.6	0	0	0	0	108.4	I240 D241 L242 R333 F335	I240-C266 PolarHBondContact O-N 2.77Å; D241-C266 WeakPolarHBondContact CA-O 3.3Å; L242-C266 PolarHBondContact N-O 2.92Å; C266-R333 VanDerWaalsContact CB-CZ 3.48Å; C266-R333 PolarHBondContact O-NH1 3.21Å; C266-F335 HydrophobicContact CB-CD1 3.78Å; C266-F335 HydrophobicContact CB-CE1 3.9Å
267	V	98.8	Very high	96.6	Very high	2 Å²	2	16 Å²	16	1%	0.012	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.4	-172.7	-178.8	0	0	0	0	111.7	P248 L252 I305 L309 R333 V334	P248-V267 HydrophobicContact CB-CG1 3.82Å; P248-V267 HydrophobicContact CG-CG1 3.59Å; L252-V267 HydrophobicContact CD2-CG1 3.96Å; L252-V267 HydrophobicContact CD2-CG2 4.31Å; V267-I305 HydrophobicContact CG1-CD1 4.24Å; V267-I305 HydrophobicContact CG1-CG1 4.22Å; V267-L309 HydrophobicContact CG2-CD1 4.41Å; V267-L309 HydrophobicContact CG2-CD2 4.49Å; V267-R333 VanDerWaalsContact CA-NH1 3.34Å; V267-R333 WeakPolarHBondContact O-CA 3.2Å; V267-R333 WeakPolarHBondContact O-CD 3.29Å; V267-V334 HydrophobicContact CB-CG2 3.89Å; V267-V334 PolarHBondContact N-O 2.92Å; V267-V334 PolarHBondContact O-N 2.67Å
268	T	98.2	Very high	96.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138	171.7	-45.8	0	0	0	0	110.4	N96 L242 D243 T270 Y331 I332 R333	N96-T268 PolarHBondContact ND2-OG1 3.37Å; L242-T268 PolarHBondContact O-N 2.84Å; D243-T268 WeakPolarHBondContact OD1-CB 3.39Å; D243-T268 WeakPolarHBondContact OD1-CG2 3.4Å; D243-T268 PolarHBondContact OD1-OG1 2.87Å; T268-T270 HydrophobicContact CG2-CG2 4.13Å; T268-Y331 HydrophobicContact CG2-CD2 3.77Å; T268-Y331 HydrophobicContact CG2-CG 4.16Å; T268-I332 WeakPolarHBondContact CA-O 3.31Å; T268-R333 VanDerWaalsContact OG1-CD 3.29Å; T268-R333 WeakPolarHBondContact OG1-CD 3.2Å; T268-R333 PolarHBondContact OG1-NH1 3.17Å
269	C	97	Very high	96.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	165.4	-44.8	0	0	0	0	109.6	P248 M275 Y331 I332	P248-C269 VanDerWaalsContact CG-SG 3.51Å; C269-M275 HydrophobicContact CB-SD 3.8Å; C269-Y331 VanDerWaalsContact O-CA 3.28Å; C269-Y331 WeakPolarHBondContact O-CA 3.5Å; C269-Y331 WeakPolarHBondContact O-CB 3.38Å; C269-I332 HydrophobicContact CB-CD1 4.03Å; C269-I332 HydrophobicContact CB-CG1 3.61Å; C269-I332 PolarHBondContact N-O 2.82Å; C269-I332 PolarHBondContact O-N 3.49Å
270	T	94.1	Very high	96	Very high	50 Å²	50	22 Å²	22	31%	0.307	14%	0.138	S	C	.	.			trans	-111.5	1.2	175.1	82.4	0	0	0	0	112.5	G246 T268 M272	G246-T270 WeakPolarHBondContact CA-OG1 3.42Å; G246-T270 PolarHBondContact N-OG1 3.5Å; G246-T270 PolarHBondContact O-N 3.45Å; T268-T270 HydrophobicContact CG2-CG2 4.13Å; T270-M272 PolarHBondContact O-N 3.01Å; T270-M272 VanDerWaalsContact O-N 3.13Å
271	D	94	Very high	95.9	Very high	15 Å²	15	27.1 Å²	27.1	8%	0.08	16%	0.16	C	C	.	.			trans	-85.1	44	175.9	68.4	-25.4	0	0	0	113	G246 S247 A273 V274 M275 K286 Y287	G246-D271 PolarHBondContact O-N 3.32Å; S247-D271 VanDerWaalsContact CB-OD2 3.27Å; S247-D271 WeakPolarHBondContact CB-OD2 3.48Å; D271-A273 PolarHBondContact O-N 3.01Å; D271-V274 HydrophobicContact CB-CG2 4.49Å; D271-V274 WeakPolarHBondContact O-CB 3.43Å; D271-V274 PolarHBondContact O-N 3.36Å; D271-M275 PolarHBondContact O-N 3.39Å; D271-K286 IonicContact OD2-NZ 3.64Å; D271-K286 PolarHBondContact OD2-NZ 2.92Å; D271-Y287 VanDerWaalsContact CG-OH 3.26Å; D271-Y287 PolarHBondContact OD1-OH 3.32Å; D271-Y287 PolarHBondContact OD2-OH 3.43Å; D271-Y287 VanDerWaalsContact OD2-OH 3.09Å
272	M	93.6	Very high	95.9	Very high	24 Å²	24	24.8 Å²	24.8	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-56.7	-26.9	-178.1	-71.8	-55.5	-62.7	0	0	113.9	T270 V274 M275 A276 A301 F330 I332	T270-M272 PolarHBondContact O-N 3.01Å; T270-M272 VanDerWaalsContact O-N 3.13Å; M272-V274 VanDerWaalsContact C-N 3.28Å; M272-V274 PolarHBondContact O-N 3.25Å; M272-M275 PolarHBondContact O-N 3.29Å; M272-A276 WeakPolarHBondContact O-CA 3.32Å; M272-A276 WeakPolarHBondContact O-CB 3.47Å; M272-A276 PolarHBondContact O-N 3.13Å; M272-A301 HydrophobicContact CE-CB 3.65Å; M272-A301 HydrophobicContact SD-CB 4.09Å; M272-F330 WeakPolarHBondContact CG-O 3.35Å; M272-I332 HydrophobicContact CE-CG2 3.89Å; M272-I332 HydrophobicContact SD-CB 4.19Å; M272-I332 HydrophobicContact SD-CD1 4.36Å; M272-I332 HydrophobicContact SD-CG1 3.85Å; M272-I332 HydrophobicContact SD-CG2 3.55Å; M272-I332 VanDerWaalsContact SD-CG2 3.55Å
273	A	93	Very high	95.9	Very high	59 Å²	59	24.7 Å²	24.7	49%	0.488	15%	0.151	S	C	.	.	H	α-helix	trans	-58.8	-41.7	172.9	0	0	0	0	0	111.9	D271 N278	D271-A273 PolarHBondContact O-N 3.01Å; A273-N278 WeakPolarHBondContact O-CB 3.48Å; A273-N278 PolarHBondContact O-N 3.25Å; A273-N278 VanDerWaalsContact O-N 3.11Å; A273-N278 PolarHBondContact O-ND2 2.65Å
274	V	95.6	Very high	95.9	Very high	17 Å²	17	31.3 Å²	31.3	10%	0.103	18%	0.177	C	C	.	.	I	π-helix	trans	-68.4	-53.3	175.9	174.9	0	0	0	0	109.3	D271 M272 A276 G277 T282 C283 S291	D271-V274 HydrophobicContact CB-CG2 4.49Å; D271-V274 WeakPolarHBondContact O-CB 3.43Å; D271-V274 PolarHBondContact O-N 3.36Å; M272-V274 VanDerWaalsContact C-N 3.28Å; M272-V274 PolarHBondContact O-N 3.25Å; V274-A276 VanDerWaalsContact C-N 3.31Å; V274-A276 PolarHBondContact O-N 3.1Å; V274-G277 PolarHBondContact O-N 2.85Å; V274-T282 HydrophobicContact CG1-CG2 3.9Å; V274-T282 HydrophobicContact CG2-CG2 3.88Å; V274-C283 VanDerWaalsContact CG1-CA 3.48Å; V274-C283 HydrophobicContact CG1-CB 3.67Å; V274-C283 VanDerWaalsContact CG1-N 3.34Å; V274-S291 PolarHBondContact O-OG 2.84Å
275	M	95.6	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-70.7	-22.5	-172.9	-56.4	-170.7	78.3	0	0	114.3	C269 D271 M272 G277 Y287 S291 A301 I304 I305 I332	C269-M275 HydrophobicContact CB-SD 3.8Å; D271-M275 PolarHBondContact O-N 3.39Å; M272-M275 PolarHBondContact O-N 3.29Å; M275-G277 VanDerWaalsContact C-N 3.29Å; M275-G277 PolarHBondContact O-N 2.94Å; M275-Y287 HydrophobicContact CE-CD2 4.4Å; M275-Y287 HydrophobicContact CE-CE2 4.21Å; M275-Y287 HydrophobicContact CG-CD2 4.37Å; M275-Y287 HydrophobicContact CG-CE2 3.75Å; M275-Y287 HydrophobicContact SD-CE2 4.01Å; M275-S291 WeakPolarHBondContact O-CB 3.49Å; M275-A301 HydrophobicContact CB-CB 3.62Å; M275-A301 HydrophobicContact CE-CB 4.21Å; M275-A301 WeakPolarHBondContact CE-O 3.11Å; M275-A301 HydrophobicContact SD-CB 4.4Å; M275-I304 HydrophobicContact CE-CB 3.83Å; M275-I304 HydrophobicContact CE-CG2 3.62Å; M275-I305 HydrophobicContact CE-CB 4.15Å; M275-I332 HydrophobicContact CE-CD1 3.84Å; M275-I332 HydrophobicContact SD-CD1 3.75Å; M275-I332 HydrophobicContact SD-CG1 4.45Å
276	A	94.6	Very high	95.8	Very high	18 Å²	18	39.3 Å²	39.3	15%	0.149	23%	0.225	C	C	.	.	I	π-helix	trans	-89.1	11.9	177.9	0	0	0	0	0	113.7	M272 V274 C297	M272-A276 WeakPolarHBondContact O-CA 3.32Å; M272-A276 WeakPolarHBondContact O-CB 3.47Å; M272-A276 PolarHBondContact O-N 3.13Å; V274-A276 VanDerWaalsContact C-N 3.31Å; V274-A276 PolarHBondContact O-N 3.1Å; A276-C297 HydrophobicContact CB-CB 3.92Å
277	G	93.8	Very high	95.8	Very high	10 Å²	10	39.4 Å²	39.4	10%	0.103	23%	0.226	C	C	.	.	I	π-helix	trans	96.6	7.3	170.1	0	0	0	0	0	116.2	V274 M275 S279 S291 K293	V274-G277 PolarHBondContact O-N 2.85Å; M275-G277 VanDerWaalsContact C-N 3.29Å; M275-G277 PolarHBondContact O-N 2.94Å; G277-S279 VanDerWaalsContact C-N 3.3Å; G277-S291 WeakPolarHBondContact CA-OG 3.42Å; G277-K293 WeakPolarHBondContact O-CE 3.32Å; G277-K293 WeakPolarHBondContact O-CG 3.46Å
278	N	93.3	Very high	95.7	Very high	94 Å²	94	40.9 Å²	40.9	50%	0.503	24%	0.241	S	C	.	.	I	π-helix	trans	-71.5	-28.6	176.3	-62.2	-30.8	0	0	0	113.1	A273 K293	A273-N278 WeakPolarHBondContact O-CB 3.48Å; A273-N278 PolarHBondContact O-N 3.25Å; A273-N278 VanDerWaalsContact O-N 3.11Å; A273-N278 PolarHBondContact O-ND2 2.65Å; N278-K293 VanDerWaalsContact OD1-CE 3.28Å; N278-K293 WeakPolarHBondContact OD1-CE 3.31Å
279	S	93.3	Very high	95.7	Very high	38 Å²	38	40.9 Å²	40.9	27%	0.266	24%	0.241	S	C	.	.			trans	-143.1	75.5	-174	-63.6	0	0	0	0	109.4	G277 E281 T282 C283	G277-S279 VanDerWaalsContact C-N 3.3Å; S279-E281 VanDerWaalsContact C-N 3.31Å; S279-E281 WeakPolarHBondContact CA-OE1 3.38Å; S279-E281 VanDerWaalsContact CB-OE1 3.23Å; S279-E281 WeakPolarHBondContact CB-OE1 3.42Å; S279-E281 PolarHBondContact O-N 3.27Å; S279-T282 PolarHBondContact O-N 3.39Å; S279-C283 PolarHBondContact O-N 2.68Å
280	G	94.1	Very high	95.8	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-34.3	-174.3	0	0	0	0	0	113.3	C283 Y284	G280-C283 WeakPolarHBondContact O-CB 3.29Å; G280-C283 PolarHBondContact O-N 3.06Å; G280-Y284 WeakPolarHBondContact O-CB 3.43Å; G280-Y284 PolarHBondContact O-N 3.3Å
281	E	95.3	Very high	95.9	Very high	126 Å²	126	41 Å²	41	59%	0.589	24%	0.242	S	C	*	.	H	α-helix	trans	-65.1	-40.9	173.6	72	-54.6	132.9	0	0	112.2	S279 C283 Y284 S285	S279-E281 VanDerWaalsContact C-N 3.31Å; S279-E281 WeakPolarHBondContact CA-OE1 3.38Å; S279-E281 VanDerWaalsContact CB-OE1 3.23Å; S279-E281 WeakPolarHBondContact CB-OE1 3.42Å; S279-E281 PolarHBondContact O-N 3.27Å; E281-C283 VanDerWaalsContact C-N 3.35Å; E281-Y284 PolarHBondContact O-N 3.48Å; E281-S285 PolarHBondContact O-N 3.06Å
282	T	97.3	Very high	96	Very high	48 Å²	48	40.3 Å²	40.3	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-39.3	174.4	-57.3	0	0	0	0	110.8	V274 S279 Y284 S285 K286	V274-T282 HydrophobicContact CG1-CG2 3.9Å; V274-T282 HydrophobicContact CG2-CG2 3.88Å; S279-T282 PolarHBondContact O-N 3.39Å; T282-Y284 VanDerWaalsContact C-N 3.33Å; T282-S285 PolarHBondContact O-N 3.21Å; T282-K286 HydrophobicContact CG2-CD 4.14Å; T282-K286 WeakPolarHBondContact O-CG 3.37Å; T282-K286 PolarHBondContact O-N 2.93Å; T282-K286 VanDerWaalsContact O-N 3.14Å
283	C	98.2	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-43.5	174.7	-172	0	0	0	0	110.9	V274 S279 G280 E281 K286 Y287 S289 S291	V274-C283 VanDerWaalsContact CG1-CA 3.48Å; V274-C283 HydrophobicContact CG1-CB 3.67Å; V274-C283 VanDerWaalsContact CG1-N 3.34Å; S279-C283 PolarHBondContact O-N 2.68Å; G280-C283 WeakPolarHBondContact O-CB 3.29Å; G280-C283 PolarHBondContact O-N 3.06Å; E281-C283 VanDerWaalsContact C-N 3.35Å; C283-K286 PolarHBondContact O-N 3.26Å; C283-Y287 WeakPolarHBondContact O-CB 3.19Å; C283-Y287 PolarHBondContact O-N 2.85Å; C283-S289 CarbonylContact C-O 2.96Å; C283-S289 PolarHBondContact SG-O 2.81Å; C283-S291 WeakPolarHBondContact CB-OG 3.27Å
284	Y	98	Very high	96.1	Very high	141 Å²	141	43.7 Å²	43.7	55%	0.553	24%	0.243	S	C	*	.	H	α-helix	trans	-63.1	-46.5	178.5	-174.1	-99.8	0	0	0	111.8	G280 E281 T282 K286 G288 S289 V290	G280-Y284 WeakPolarHBondContact O-CB 3.43Å; G280-Y284 PolarHBondContact O-N 3.3Å; E281-Y284 PolarHBondContact O-N 3.48Å; T282-Y284 VanDerWaalsContact C-N 3.33Å; Y284-K286 VanDerWaalsContact C-N 3.32Å; Y284-K286 PolarHBondContact O-N 2.79Å; Y284-G288 WeakPolarHBondContact O-CA 3.46Å; Y284-G288 PolarHBondContact O-N 2.8Å; Y284-S289 VanDerWaalsContact CA-O 3.23Å; Y284-S289 WeakPolarHBondContact CA-O 3.5Å; Y284-S289 PolarHBondContact N-O 3.39Å; Y284-V290 HydrophobicContact CD2-CG2 3.84Å; Y284-V290 HydrophobicContact CG-CG2 4.37Å
285	S	97.4	Very high	96.1	Very high	106 Å²	106	47.7 Å²	47.7	74%	0.741	26%	0.259	S	S	*	.	H	α-helix	trans	-59.4	-40	178.2	177.3	0	0	0	0	113.1	E281 T282	E281-S285 PolarHBondContact O-N 3.06Å; T282-S285 PolarHBondContact O-N 3.21Å
286	K	97.6	Very high	96.2	Very high	62 Å²	62	47.9 Å²	47.9	27%	0.27	26%	0.26	S	S	.	.	H	α-helix	trans	-81.9	-41.5	-178.1	-73.5	173.1	167.7	179.9	0	113.4	A249 D271 T282 C283 Y284 R312	A249-K286 HydrophobicContact CB-CB 3.92Å; A249-K286 HydrophobicContact CB-CG 4.36Å; A249-K286 WeakPolarHBondContact CB-O 3.11Å; D271-K286 IonicContact OD2-NZ 3.64Å; D271-K286 PolarHBondContact OD2-NZ 2.92Å; T282-K286 HydrophobicContact CG2-CD 4.14Å; T282-K286 WeakPolarHBondContact O-CG 3.37Å; T282-K286 PolarHBondContact O-N 2.93Å; T282-K286 VanDerWaalsContact O-N 3.14Å; C283-K286 PolarHBondContact O-N 3.26Å; Y284-K286 VanDerWaalsContact C-N 3.32Å; Y284-K286 PolarHBondContact O-N 2.79Å; K286-R312 PolarHBondContact O-NH2 2.7Å
287	Y	98.3	Very high	96.3	Very high	3 Å²	3	48 Å²	48	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-118.9	-6.8	-163.5	-57.5	-66.7	0	0	0	114.8	S247 P248 A249 D271 M275 C283 S289 I304 I305 S308	S247-Y287 WeakPolarHBondContact CB-OH 3.29Å; S247-Y287 VanDerWaalsContact OG-CZ 3.27Å; S247-Y287 PolarHBondContact OG-OH 2.83Å; P248-Y287 WeakPolarHBondContact CD-OH 3.5Å; A249-Y287 HydrophobicContact CB-CD1 4.45Å; A249-Y287 HydrophobicContact CB-CE1 4.14Å; D271-Y287 VanDerWaalsContact CG-OH 3.26Å; D271-Y287 PolarHBondContact OD1-OH 3.32Å; D271-Y287 PolarHBondContact OD2-OH 3.43Å; D271-Y287 VanDerWaalsContact OD2-OH 3.09Å; M275-Y287 HydrophobicContact CE-CD2 4.4Å; M275-Y287 HydrophobicContact CE-CE2 4.21Å; M275-Y287 HydrophobicContact CG-CD2 4.37Å; M275-Y287 HydrophobicContact CG-CE2 3.75Å; M275-Y287 HydrophobicContact SD-CE2 4.01Å; C283-Y287 WeakPolarHBondContact O-CB 3.19Å; C283-Y287 PolarHBondContact O-N 2.85Å; Y287-S289 VanDerWaalsContact C-N 3.26Å; Y287-I304 HydrophobicContact CD2-CG2 4.26Å; Y287-I304 HydrophobicContact CG-CG2 4Å; Y287-I305 HydrophobicContact CD1-CD1 4.31Å; Y287-I305 HydrophobicContact CE1-CD1 4.09Å; Y287-S308 VanDerWaalsContact C-OG 3.3Å; Y287-S308 WeakPolarHBondContact CA-OG 3.21Å; Y287-S308 PolarHBondContact O-OG 3.5Å
288	G	97.6	Very high	96.5	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	27%	0.27	S	S	.	.	S	Bend	trans	74	16.1	-174.8	0	0	0	0	0	113.8	Y284	Y284-G288 WeakPolarHBondContact O-CA 3.46Å; Y284-G288 PolarHBondContact O-N 2.8Å
289	S	98.2	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-139.4	140.4	-173.5	-174.7	0	0	0	0	112.9	C283 Y284 Y287 G404 P405	C283-S289 CarbonylContact C-O 2.96Å; C283-S289 PolarHBondContact SG-O 2.81Å; Y284-S289 VanDerWaalsContact CA-O 3.23Å; Y284-S289 WeakPolarHBondContact CA-O 3.5Å; Y284-S289 PolarHBondContact N-O 3.39Å; Y287-S289 VanDerWaalsContact C-N 3.26Å; S289-G404 VanDerWaalsContact OG-C 3.28Å; S289-G404 WeakPolarHBondContact OG-CA 3.35Å; S289-P405 WeakPolarHBondContact CB-O 3.17Å; S289-P405 PolarHBondContact OG-O 3.15Å
290	V	98.1	Very high	97	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.309	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-88.9	106.5	174.2	-177.5	0	0	0	0	109.7	Y284 M300 G403 G404	Y284-V290 HydrophobicContact CD2-CG2 3.84Å; Y284-V290 HydrophobicContact CG-CG2 4.37Å; V290-M300 VanDerWaalsContact O-CE 3.27Å; V290-M300 WeakPolarHBondContact O-CE 3.37Å; V290-G403 WeakPolarHBondContact O-CA 3.43Å; V290-G404 PolarHBondContact N-O 3.23Å; V290-G404 PolarHBondContact O-N 3.45Å
291	S	97.1	Very high	97.2	Very high	3 Å²	3	44 Å²	44	2%	0.021	23%	0.227	C	C	.	.			trans	-71.1	144.8	168.1	59.3	0	0	0	0	111.4	V274 M275 G277 C283	V274-S291 PolarHBondContact O-OG 2.84Å; M275-S291 WeakPolarHBondContact O-CB 3.49Å; G277-S291 WeakPolarHBondContact CA-OG 3.42Å; C283-S291 WeakPolarHBondContact CB-OG 3.27Å
292	I	96.6	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.199	C	C	.	.			trans	-123.2	153.4	175.5	59.5	170.8	0	0	0	111.3	S294 Y296 M300 V355 N357 Q401	I292-S294 PolarHBondContact O-N 3.47Å; I292-S294 VanDerWaalsContact O-N 3.07Å; I292-Y296 HydrophobicContact CD1-CE2 4.44Å; I292-Y296 WeakPolarHBondContact CD1-OH 3.29Å; I292-M300 HydrophobicContact CG1-CE 4.06Å; I292-M300 HydrophobicContact CG1-SD 3.71Å; I292-V355 HydrophobicContact CD1-CG1 3.94Å; I292-N357 HydrophobicContact CD1-CB 3.47Å; I292-N357 VanDerWaalsContact CD1-CB 3.47Å; I292-Q401 HydrophobicContact CG2-CG 4.09Å
293	K	94.5	Very high	97.4	Very high	136 Å²	136	35.8 Å²	35.8	59%	0.591	19%	0.185	S	C	*	.			trans	-77	93.4	174.5	-64.4	-174.7	-179.1	176.3	0	109.5	G277 N278	G277-K293 WeakPolarHBondContact O-CE 3.32Å; G277-K293 WeakPolarHBondContact O-CG 3.46Å; N278-K293 VanDerWaalsContact OD1-CE 3.28Å; N278-K293 WeakPolarHBondContact OD1-CE 3.31Å
294	S	94.8	Very high	97.5	Very high	17 Å²	17	35.8 Å²	35.8	12%	0.119	19%	0.185	C	C	.	.			trans	-128.7	170.9	176.3	67.6	0	0	0	0	111	I292 Y296 C297	I292-S294 PolarHBondContact O-N 3.47Å; I292-S294 VanDerWaalsContact O-N 3.07Å; S294-Y296 VanDerWaalsContact C-N 3.27Å; S294-Y296 VanDerWaalsContact CB-CE2 3.5Å; S294-Y296 WeakPolarHBondContact OG-CD2 3.28Å; S294-Y296 WeakPolarHBondContact OG-CE2 3.15Å; S294-C297 VanDerWaalsContact O-CB 3.31Å; S294-C297 WeakPolarHBondContact O-CB 3.4Å; S294-C297 PolarHBondContact O-N 3.33Å; S294-C297 PolarHBondContact O-SG 2.86Å; S294-C297 PolarHBondContact OG-N 2.61Å
295	K	95.5	Very high	97.5	Very high	102 Å²	102	29 Å²	29	44%	0.443	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.1	175.7	-60.1	-57.5	-174.3	176.1	0	112.9	C297 Y454 T456 N459	K295-C297 VanDerWaalsContact C-N 3.28Å; K295-C297 PolarHBondContact O-N 3.25Å; K295-Y454 WeakPolarHBondContact O-CE2 3.37Å; K295-Y454 PolarHBondContact O-OH 3.22Å; K295-T456 HydrophobicContact CB-CG2 4Å; K295-N459 HydrophobicContact CD-CB 4.26Å; K295-N459 WeakPolarHBondContact CE-OD1 3.5Å; K295-N459 HydrophobicContact CG-CB 3.81Å
296	Y	97.5	Very high	97.6	Very high	4 Å²	4	24 Å²	24	2%	0.016	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	16.4	176	53.2	-104.3	0	0	0	114.1	I292 S294 H298 E299 M300 N357 F364 L453 Y454	I292-Y296 HydrophobicContact CD1-CE2 4.44Å; I292-Y296 WeakPolarHBondContact CD1-OH 3.29Å; S294-Y296 VanDerWaalsContact C-N 3.27Å; S294-Y296 VanDerWaalsContact CB-CE2 3.5Å; S294-Y296 WeakPolarHBondContact OG-CD2 3.28Å; S294-Y296 WeakPolarHBondContact OG-CE2 3.15Å; Y296-H298 PolarHBondContact O-N 3.42Å; Y296-H298 VanDerWaalsContact O-N 3.16Å; Y296-E299 PolarHBondContact O-N 3.29Å; Y296-E299 VanDerWaalsContact O-N 3.14Å; Y296-M300 HydrophobicContact CD2-CB 4.24Å; Y296-M300 HydrophobicContact CE2-SD 4.35Å; Y296-M300 PolarHBondContact O-N 3.41Å; Y296-N357 WeakPolarHBondContact OH-CB 3.01Å; Y296-N357 VanDerWaalsContact OH-CG 3.3Å; Y296-N357 PolarHBondContact OH-OD1 2.8Å; Y296-F364 HydrophobicContact CD1-CD1 4Å; Y296-F364 AromaticContact CD1-CE1 3.91Å; Y296-F364 HydrophobicContact CD1-CE1 3.91Å; Y296-F364 HydrophobicContact CE1-CB 4.33Å; Y296-F364 AromaticContact CE1-CD1 3.45Å; Y296-F364 HydrophobicContact CE1-CD1 3.45Å; Y296-F364 VanDerWaalsContact CE1-CD1 3.45Å; Y296-F364 AromaticContact CE1-CE1 3.86Å; Y296-F364 HydrophobicContact CE1-CE1 3.86Å; Y296-F364 AromaticContact CE1-CG 3.91Å; Y296-F364 HydrophobicContact CE1-CG 3.91Å; Y296-L453 HydrophobicContact CD1-CB 4.23Å; Y296-L453 HydrophobicContact CD2-CB 4.13Å; Y296-L453 HydrophobicContact CD2-CD1 3.75Å; Y296-L453 HydrophobicContact CD2-CD2 3.65Å; Y296-L453 HydrophobicContact CD2-CG 4.03Å; Y296-L453 HydrophobicContact CE1-CD1 4.43Å; Y296-L453 HydrophobicContact CE2-CD1 3.61Å; Y296-L453 HydrophobicContact CE2-CD2 4.27Å; Y296-L453 HydrophobicContact CE2-CG 4.4Å; Y296-L453 HydrophobicContact CG-CB 3.85Å; Y296-L453 HydrophobicContact CG-CD1 4.21Å; Y296-L453 HydrophobicContact CG-CD2 4.15Å; Y296-L453 HydrophobicContact CG-CG 4.28Å; Y296-Y454 VanDerWaalsContact CA-CZ 3.45Å; Y296-Y454 WeakPolarHBondContact CD1-O 3.17Å
297	C	97	Very high	97.6	Very high	19 Å²	19	21.6 Å²	21.6	13%	0.128	11%	0.113	C	C	.	.	H	α-helix	trans	-58.4	-31.6	-172.6	63.1	0	0	0	0	114.1	A276 S294 K295 M300 A301	A276-C297 HydrophobicContact CB-CB 3.92Å; S294-C297 VanDerWaalsContact O-CB 3.31Å; S294-C297 WeakPolarHBondContact O-CB 3.4Å; S294-C297 PolarHBondContact O-N 3.33Å; S294-C297 PolarHBondContact O-SG 2.86Å; S294-C297 PolarHBondContact OG-N 2.61Å; K295-C297 VanDerWaalsContact C-N 3.28Å; K295-C297 PolarHBondContact O-N 3.25Å; C297-M300 PolarHBondContact O-N 3.17Å; C297-A301 WeakPolarHBondContact O-CB 3.25Å; C297-A301 PolarHBondContact O-N 3.46Å
298	H	97.3	Very high	97.6	Very high	72 Å²	72	21.5 Å²	21.5	33%	0.333	11%	0.113	S	C	.	.	H	α-helix	trans	-68.8	-43.2	177.4	-65.4	171.3	0	0	0	112.5	Y296 A301 L302 A490	Y296-H298 PolarHBondContact O-N 3.42Å; Y296-H298 VanDerWaalsContact O-N 3.16Å; H298-A301 WeakPolarHBondContact O-CB 3.27Å; H298-A301 PolarHBondContact O-N 3.47Å; H298-L302 PolarHBondContact O-N 3.25Å; H298-A490 HydrophobicContact CB-CB 4.17Å; H298-A490 PolarHBondContact ND1-O 3.39Å; H298-A490 VanDerWaalsContact ND1-O 3.16Å
299	E	98.2	Very high	97.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-69.8	-39.3	173.6	-178	175.6	163.1	0	0	111.3	Y296 A301 L302 R303 L453 Y454 A490 K496	Y296-E299 PolarHBondContact O-N 3.29Å; Y296-E299 VanDerWaalsContact O-N 3.14Å; E299-A301 PolarHBondContact O-N 3.06Å; E299-L302 WeakPolarHBondContact O-CB 3.43Å; E299-L302 PolarHBondContact O-N 3.14Å; E299-L302 VanDerWaalsContact O-N 3.14Å; E299-R303 HydrophobicContact CG-CG 4.45Å; E299-R303 WeakPolarHBondContact O-CG 3.4Å; E299-R303 PolarHBondContact O-N 2.91Å; E299-R303 IonicContact OE1-CZ 3.85Å; E299-R303 VanDerWaalsContact OE1-CZ 3.26Å; E299-R303 IonicContact OE1-NE 2.76Å; E299-R303 PolarHBondContact OE1-NE 2.99Å; E299-R303 IonicContact OE1-NH2 3.62Å; E299-R303 PolarHBondContact OE1-NH2 3.14Å; E299-L453 HydrophobicContact CG-CD2 4.36Å; E299-L453 PolarHBondContact OE1-N 2.84Å; E299-L453 WeakPolarHBondContact OE2-CA 3.2Å; E299-Y454 HydrophobicContact CB-CD1 4.26Å; E299-Y454 HydrophobicContact CB-CE1 3.89Å; E299-Y454 WeakPolarHBondContact OE2-CD1 3.33Å; E299-A490 HydrophobicContact CB-CB 4.31Å; E299-K496 IonicContact OE1-NZ 3.44Å; E299-K496 PolarHBondContact OE1-NZ 2.71Å; E299-K496 WeakPolarHBondContact OE2-CE 3.31Å; E299-K496 IonicContact OE2-NZ 3.71Å; E299-K496 PolarHBondContact OE2-NZ 3.39Å
300	M	98.3	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.9	-41.4	173.8	-169.8	-179.8	-175.8	0	0	110.8	V290 I292 Y296 C297 L302 R303 I304 V355 F406 L453	V290-M300 VanDerWaalsContact O-CE 3.27Å; V290-M300 WeakPolarHBondContact O-CE 3.37Å; I292-M300 HydrophobicContact CG1-CE 4.06Å; I292-M300 HydrophobicContact CG1-SD 3.71Å; Y296-M300 HydrophobicContact CD2-CB 4.24Å; Y296-M300 HydrophobicContact CE2-SD 4.35Å; Y296-M300 PolarHBondContact O-N 3.41Å; C297-M300 PolarHBondContact O-N 3.17Å; M300-L302 PolarHBondContact O-N 3.49Å; M300-R303 CarbonylContact O-C 3.56Å; M300-R303 PolarHBondContact O-N 3.49Å; M300-I304 HydrophobicContact CE-CD1 4.29Å; M300-I304 HydrophobicContact CG-CD1 3.96Å; M300-I304 HydrophobicContact CG-CG1 4.32Å; M300-I304 WeakPolarHBondContact O-CG1 3.43Å; M300-I304 PolarHBondContact O-N 3.16Å; M300-V355 HydrophobicContact CE-CG1 4.13Å; M300-F406 HydrophobicContact CE-CD1 4.47Å; M300-L453 HydrophobicContact CB-CD2 4.3Å
301	A	98.4	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.2	0	0	0	0	0	112.7	M272 M275 C297 H298 E299 R303 I304 I305 I332	M272-A301 HydrophobicContact CE-CB 3.65Å; M272-A301 HydrophobicContact SD-CB 4.09Å; M275-A301 HydrophobicContact CB-CB 3.62Å; M275-A301 HydrophobicContact CE-CB 4.21Å; M275-A301 WeakPolarHBondContact CE-O 3.11Å; M275-A301 HydrophobicContact SD-CB 4.4Å; C297-A301 WeakPolarHBondContact O-CB 3.25Å; C297-A301 PolarHBondContact O-N 3.46Å; H298-A301 WeakPolarHBondContact O-CB 3.27Å; H298-A301 PolarHBondContact O-N 3.47Å; E299-A301 PolarHBondContact O-N 3.06Å; A301-R303 VanDerWaalsContact C-N 3.29Å; A301-R303 PolarHBondContact O-N 2.9Å; A301-I304 PolarHBondContact O-N 3.47Å; A301-I305 PolarHBondContact O-N 3.47Å; A301-I305 VanDerWaalsContact O-N 3.14Å; A301-I332 HydrophobicContact CB-CD1 3.95Å; A301-I332 HydrophobicContact CB-CG2 4.42Å; A301-I332 WeakPolarHBondContact O-CD1 3.35Å
302	L	98.7	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-44.7	173.1	-66.8	168.5	0	0	0	111.1	H298 E299 M300 I304 I305 L306 I332 V334 I411	H298-L302 PolarHBondContact O-N 3.25Å; E299-L302 WeakPolarHBondContact O-CB 3.43Å; E299-L302 PolarHBondContact O-N 3.14Å; E299-L302 VanDerWaalsContact O-N 3.14Å; M300-L302 PolarHBondContact O-N 3.49Å; L302-I304 VanDerWaalsContact C-N 3.34Å; L302-I304 PolarHBondContact O-N 3.25Å; L302-I305 WeakPolarHBondContact O-CG2 3.48Å; L302-I305 PolarHBondContact O-N 3.31Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.38Å; L302-I332 HydrophobicContact CD2-CB 3.6Å; L302-I332 HydrophobicContact CD2-CD1 4.42Å; L302-I332 HydrophobicContact CD2-CG2 3.76Å; L302-I332 HydrophobicContact CG-CB 4.38Å; L302-I332 HydrophobicContact CG-CG2 4.04Å; L302-V334 HydrophobicContact CD2-CG1 4.12Å; L302-I411 HydrophobicContact CD1-CD1 4.31Å
303	R	98.7	Very high	97.7	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-70.3	-29.8	180	-66.1	176.4	176	-72.9	-4.4	112.9	E299 M300 A301 H307 F406 W407 E409 I411	E299-R303 HydrophobicContact CG-CG 4.45Å; E299-R303 WeakPolarHBondContact O-CG 3.4Å; E299-R303 PolarHBondContact O-N 2.91Å; E299-R303 IonicContact OE1-CZ 3.85Å; E299-R303 VanDerWaalsContact OE1-CZ 3.26Å; E299-R303 IonicContact OE1-NE 2.76Å; E299-R303 PolarHBondContact OE1-NE 2.99Å; E299-R303 IonicContact OE1-NH2 3.62Å; E299-R303 PolarHBondContact OE1-NH2 3.14Å; M300-R303 CarbonylContact O-C 3.56Å; M300-R303 PolarHBondContact O-N 3.49Å; A301-R303 VanDerWaalsContact C-N 3.29Å; A301-R303 PolarHBondContact O-N 2.9Å; R303-H307 WeakPolarHBondContact O-CB 3.46Å; R303-H307 PolarHBondContact O-N 3.46Å; R303-F406 HydrophobicContact CB-CB 3.92Å; R303-F406 HydrophobicContact CB-CD2 3.8Å; R303-F406 HydrophobicContact CB-CG 4.27Å; R303-F406 HydrophobicContact CG-CD2 4.32Å; R303-W407 HydrophobicContact CB-CB 4.21Å; R303-W407 WeakPolarHBondContact CB-O 3.48Å; R303-W407 VanDerWaalsContact CD-O 3.23Å; R303-W407 WeakPolarHBondContact CD-O 3.47Å; R303-W407 WeakPolarHBondContact CG-O 3.28Å; R303-W407 PolarHBondContact NH1-O 2.58Å; R303-W407 VanDerWaalsContact O-CB 3.24Å; R303-W407 WeakPolarHBondContact O-CB 3.04Å; R303-W407 PolarHBondContact O-N 2.84Å; R303-E409 PolarHBondContact NH1-O 3.31Å; R303-I411 HydrophobicContact CG-CG2 4.15Å
304	I	98.8	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.8	-45.5	175.4	-73.6	169.4	0	0	0	110.9	M275 Y287 M300 A301 L302 L306 H307 S308 F406	M275-I304 HydrophobicContact CE-CB 3.83Å; M275-I304 HydrophobicContact CE-CG2 3.62Å; Y287-I304 HydrophobicContact CD2-CG2 4.26Å; Y287-I304 HydrophobicContact CG-CG2 4Å; M300-I304 HydrophobicContact CE-CD1 4.29Å; M300-I304 HydrophobicContact CG-CD1 3.96Å; M300-I304 HydrophobicContact CG-CG1 4.32Å; M300-I304 WeakPolarHBondContact O-CG1 3.43Å; M300-I304 PolarHBondContact O-N 3.16Å; A301-I304 PolarHBondContact O-N 3.47Å; L302-I304 VanDerWaalsContact C-N 3.34Å; L302-I304 PolarHBondContact O-N 3.25Å; I304-L306 VanDerWaalsContact C-N 3.33Å; I304-L306 PolarHBondContact O-N 3.44Å; I304-H307 WeakPolarHBondContact O-CB 3.34Å; I304-H307 PolarHBondContact O-N 2.83Å; I304-S308 WeakPolarHBondContact O-CB 3.31Å; I304-S308 PolarHBondContact O-N 3.48Å; I304-F406 HydrophobicContact CG1-CB 4.31Å
305	I	98.8	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.4	-37.5	179.4	-174.5	61.8	0	0	0	111.4	P248 L252 V267 M275 Y287 A301 L302 S308 L309 I332 V334	P248-I305 HydrophobicContact CG-CD1 4.07Å; L252-I305 HydrophobicContact CD1-CD1 3.65Å; L252-I305 HydrophobicContact CD2-CD1 4.33Å; V267-I305 HydrophobicContact CG1-CD1 4.24Å; V267-I305 HydrophobicContact CG1-CG1 4.22Å; M275-I305 HydrophobicContact CE-CB 4.15Å; Y287-I305 HydrophobicContact CD1-CD1 4.31Å; Y287-I305 HydrophobicContact CE1-CD1 4.09Å; A301-I305 PolarHBondContact O-N 3.47Å; A301-I305 VanDerWaalsContact O-N 3.14Å; L302-I305 WeakPolarHBondContact O-CG2 3.48Å; L302-I305 PolarHBondContact O-N 3.31Å; I305-S308 WeakPolarHBondContact O-CB 3.31Å; I305-S308 PolarHBondContact O-N 2.94Å; I305-L309 HydrophobicContact CG1-CD1 4.31Å; I305-L309 WeakPolarHBondContact O-CG 3.13Å; I305-L309 PolarHBondContact O-N 2.9Å; I305-I332 HydrophobicContact CB-CD1 4.41Å; I305-I332 HydrophobicContact CG2-CD1 3.83Å; I305-V334 HydrophobicContact CG1-CG2 4.17Å; I305-V334 HydrophobicContact CG2-CG1 3.62Å; I305-V334 HydrophobicContact CG2-CG2 4.03Å
306	L	98.8	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-42.5	173.9	-67.5	176.6	0	0	0	112.4	L302 I304 S308 L309 D310 I320 P322 V334 V336 W407 I411	L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.38Å; I304-L306 VanDerWaalsContact C-N 3.33Å; I304-L306 PolarHBondContact O-N 3.44Å; L306-S308 VanDerWaalsContact C-N 3.29Å; L306-S308 PolarHBondContact O-N 3.37Å; L306-L309 PolarHBondContact O-N 3.32Å; L306-D310 WeakPolarHBondContact O-CB 3.21Å; L306-D310 PolarHBondContact O-N 2.95Å; L306-I320 HydrophobicContact CB-CD1 4.41Å; L306-I320 HydrophobicContact CD2-CD1 4.19Å; L306-I320 WeakPolarHBondContact O-CD1 3.16Å; L306-P322 HydrophobicContact CD1-CB 4.33Å; L306-P322 HydrophobicContact CD1-CG 4.16Å; L306-P322 HydrophobicContact CD2-CB 4.21Å; L306-P322 HydrophobicContact CD2-CG 4.05Å; L306-V334 HydrophobicContact CD2-CB 4.15Å; L306-V334 HydrophobicContact CD2-CG1 4.18Å; L306-V334 HydrophobicContact CD2-CG2 4.4Å; L306-V334 HydrophobicContact CG-CG1 4.33Å; L306-V336 HydrophobicContact CD2-CG1 3.53Å; L306-W407 HydrophobicContact CB-CB 3.65Å; L306-W407 HydrophobicContact CB-CD2 4.07Å; L306-W407 HydrophobicContact CB-CE3 4.4Å; L306-W407 HydrophobicContact CB-CG 3.76Å; L306-W407 HydrophobicContact CD1-CB 4.48Å; L306-W407 HydrophobicContact CD1-CG 4.11Å; L306-I411 HydrophobicContact CD1-CB 3.83Å; L306-I411 HydrophobicContact CD1-CG2 3.49Å; L306-I411 VanDerWaalsContact CD1-CG2 3.49Å
307	H	98.7	Very high	98	Very high	11 Å²	11	26.4 Å²	26.4	5%	0.051	13%	0.133	C	C	.	.	H	α-helix	trans	-54.4	-48.7	170.6	165.5	74.4	0	0	0	111.1	R303 I304 L309 D310 Q311 Q352	R303-H307 WeakPolarHBondContact O-CB 3.46Å; R303-H307 PolarHBondContact O-N 3.46Å; I304-H307 WeakPolarHBondContact O-CB 3.34Å; I304-H307 PolarHBondContact O-N 2.83Å; H307-L309 VanDerWaalsContact C-N 3.33Å; H307-L309 PolarHBondContact O-N 2.7Å; H307-D310 PolarHBondContact O-N 2.9Å; H307-Q311 VanDerWaalsContact CE1-CG 3.46Å; H307-Q311 WeakPolarHBondContact CE1-CG 3.26Å; H307-Q311 WeakPolarHBondContact O-CG 3.45Å; H307-Q311 PolarHBondContact O-N 3.26Å; H307-Q352 VanDerWaalsContact ND1-CD 3.31Å; H307-Q352 PolarHBondContact ND1-OE1 3.2Å
308	S	98.6	Very high	98.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-38.4	-178.8	-128.7	0	0	0	0	113.4	Y287 I304 I305 L306 R312	Y287-S308 VanDerWaalsContact C-OG 3.3Å; Y287-S308 WeakPolarHBondContact CA-OG 3.21Å; Y287-S308 PolarHBondContact O-OG 3.5Å; I304-S308 WeakPolarHBondContact O-CB 3.31Å; I304-S308 PolarHBondContact O-N 3.48Å; I305-S308 WeakPolarHBondContact O-CB 3.31Å; I305-S308 PolarHBondContact O-N 2.94Å; L306-S308 VanDerWaalsContact C-N 3.29Å; L306-S308 PolarHBondContact O-N 3.37Å; S308-R312 VanDerWaalsContact CB-NH1 3.26Å; S308-R312 WeakPolarHBondContact O-CG 3.22Å; S308-R312 PolarHBondContact O-N 3.48Å; S308-R312 PolarHBondContact O-NH1 3.07Å; S308-R312 PolarHBondContact OG-NH1 2.88Å
309	L	98.7	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.3	-45.2	176.1	-77.3	166.7	0	0	0	111.4	L252 V256 L265 V267 I305 L306 H307 Q311 R312 A313 I320 V334 V336	L252-L309 HydrophobicContact CB-CD2 4.49Å; L252-L309 HydrophobicContact CD2-CD2 3.96Å; V256-L309 HydrophobicContact CG1-CD2 4.08Å; L265-L309 HydrophobicContact CD1-CD2 4.36Å; V267-L309 HydrophobicContact CG2-CD1 4.41Å; V267-L309 HydrophobicContact CG2-CD2 4.49Å; I305-L309 HydrophobicContact CG1-CD1 4.31Å; I305-L309 WeakPolarHBondContact O-CG 3.13Å; I305-L309 PolarHBondContact O-N 2.9Å; L306-L309 PolarHBondContact O-N 3.32Å; H307-L309 VanDerWaalsContact C-N 3.33Å; H307-L309 PolarHBondContact O-N 2.7Å; L309-Q311 PolarHBondContact O-N 2.94Å; L309-R312 PolarHBondContact O-N 3.41Å; L309-A313 VanDerWaalsContact O-CB 3.31Å; L309-A313 WeakPolarHBondContact O-CB 3.38Å; L309-A313 PolarHBondContact O-N 3.22Å; L309-I320 HydrophobicContact CB-CD1 3.94Å; L309-I320 HydrophobicContact CB-CG2 4.2Å; L309-V334 HydrophobicContact CD1-CG2 3.98Å; L309-V336 HydrophobicContact CD1-CG1 4.31Å; L309-V336 HydrophobicContact CD1-CG2 4.15Å
310	D	98.4	Very high	98.2	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-43.8	179.5	-175.3	69.5	0	0	0	111.9	L306 H307 R312 A313 G314 I320 S348 Q352 W407	L306-D310 WeakPolarHBondContact O-CB 3.21Å; L306-D310 PolarHBondContact O-N 2.95Å; H307-D310 PolarHBondContact O-N 2.9Å; D310-R312 PolarHBondContact O-N 3.47Å; D310-A313 PolarHBondContact O-N 3.14Å; D310-G314 PolarHBondContact O-N 3.23Å; D310-I320 HydrophobicContact CB-CD1 3.92Å; D310-I320 HydrophobicContact CB-CG1 4.05Å; D310-S348 WeakPolarHBondContact OD2-CB 3.3Å; D310-S348 PolarHBondContact OD2-OG 2.95Å; D310-Q352 PolarHBondContact OD2-NE2 2.82Å; D310-W407 HydrophobicContact CB-CE3 4.05Å; D310-W407 HydrophobicContact CB-CZ3 3.68Å
311	Q	97	Very high	98.2	Very high	88 Å²	88	28 Å²	28	41%	0.411	14%	0.136	S	C	.	.	H	α-helix	trans	-61.3	-45.7	177.5	-71.9	-57.7	-71.1	0	0	112.1	H307 L309 G314 V315 S348	H307-Q311 VanDerWaalsContact CE1-CG 3.46Å; H307-Q311 WeakPolarHBondContact CE1-CG 3.26Å; H307-Q311 WeakPolarHBondContact O-CG 3.45Å; H307-Q311 PolarHBondContact O-N 3.26Å; L309-Q311 PolarHBondContact O-N 2.94Å; Q311-G314 PolarHBondContact O-N 3.38Å; Q311-V315 PolarHBondContact O-N 3.03Å; Q311-S348 PolarHBondContact NE2-OG 3.43Å; Q311-S348 VanDerWaalsContact NE2-OG 3.17Å
312	R	97.8	Very high	98.2	Very high	48 Å²	48	28.5 Å²	28.5	18%	0.181	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-42.7	179.3	-69.7	-179.7	-177.9	85.4	-5.9	112	V256 K286 S308 L309 D310 G314 V315 Y316	V256-R312 HydrophobicContact CG2-CB 4.14Å; K286-R312 PolarHBondContact O-NH2 2.7Å; S308-R312 VanDerWaalsContact CB-NH1 3.26Å; S308-R312 WeakPolarHBondContact O-CG 3.22Å; S308-R312 PolarHBondContact O-N 3.48Å; S308-R312 PolarHBondContact O-NH1 3.07Å; S308-R312 PolarHBondContact OG-NH1 2.88Å; L309-R312 PolarHBondContact O-N 3.41Å; D310-R312 PolarHBondContact O-N 3.47Å; R312-G314 VanDerWaalsContact C-N 3.31Å; R312-G314 PolarHBondContact O-N 2.76Å; R312-V315 PolarHBondContact O-N 3.16Å; R312-Y316 VanDerWaalsContact O-CD2 3.26Å; R312-Y316 WeakPolarHBondContact O-CD2 3.15Å
313	A	98.2	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-41.8	175.7	0	0	0	0	0	111.5	V256 L309 D310 V315 Y316 R318 I320	V256-A313 HydrophobicContact CB-CB 4.28Å; V256-A313 HydrophobicContact CG1-CB 4.22Å; L309-A313 VanDerWaalsContact O-CB 3.31Å; L309-A313 WeakPolarHBondContact O-CB 3.38Å; L309-A313 PolarHBondContact O-N 3.22Å; D310-A313 PolarHBondContact O-N 3.14Å; A313-V315 VanDerWaalsContact C-N 3.27Å; A313-V315 PolarHBondContact O-N 2.97Å; A313-Y316 PolarHBondContact O-N 3.25Å; A313-R318 CarbonylContact C-O 3.58Å; A313-R318 HydrophobicContact CB-CB 4.13Å; A313-R318 WeakPolarHBondContact O-CB 3.23Å; A313-R318 PolarHBondContact O-N 3.45Å; A313-R318 VanDerWaalsContact O-O 3.05Å; A313-I320 HydrophobicContact CB-CG2 4.12Å
314	G	97.8	Very high	98.2	Very high	19 Å²	19	28.6 Å²	28.6	20%	0.196	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-34.9	-177.8	0	0	0	0	0	114	D310 Q311 R312 Y316 Q317 R318	D310-G314 PolarHBondContact O-N 3.23Å; Q311-G314 PolarHBondContact O-N 3.38Å; R312-G314 VanDerWaalsContact C-N 3.31Å; R312-G314 PolarHBondContact O-N 2.76Å; G314-Y316 PolarHBondContact O-N 3.1Å; G314-Q317 PolarHBondContact O-N 2.84Å; G314-R318 WeakPolarHBondContact CA-O 3.4Å; G314-R318 PolarHBondContact N-O 3.36Å
315	V	96.9	Very high	98.2	Very high	107 Å²	107	28.6 Å²	28.6	65%	0.648	14%	0.14	S	C	*	.	H	α-helix	trans	-56.1	-33.3	174.9	175.1	0	0	0	0	111.6	Q311 R312 A313	Q311-V315 PolarHBondContact O-N 3.03Å; R312-V315 PolarHBondContact O-N 3.16Å; A313-V315 VanDerWaalsContact C-N 3.27Å; A313-V315 PolarHBondContact O-N 2.97Å
316	Y	96.6	Very high	98.1	Very high	86 Å²	86	28.7 Å²	28.7	34%	0.337	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	17.3	-178.2	-56.9	-68.9	0	0	0	113.4	D253 V256 Q257 R312 A313 G314 R318	D253-Y316 PolarHBondContact OD2-OH 2.87Å; D253-Y316 VanDerWaalsContact OD2-OH 3.1Å; V256-Y316 HydrophobicContact CG2-CD2 4.25Å; V256-Y316 HydrophobicContact CG2-CE2 4.44Å; Q257-Y316 HydrophobicContact CG-CD1 4.2Å; Q257-Y316 HydrophobicContact CG-CD2 3.71Å; Q257-Y316 HydrophobicContact CG-CE1 4.21Å; Q257-Y316 HydrophobicContact CG-CE2 3.73Å; Q257-Y316 HydrophobicContact CG-CG 3.96Å; Q257-Y316 VanDerWaalsContact NE2-CE2 3.29Å; Q257-Y316 PolarHBondContact NE2-OH 3.2Å; R312-Y316 VanDerWaalsContact O-CD2 3.26Å; R312-Y316 WeakPolarHBondContact O-CD2 3.15Å; A313-Y316 PolarHBondContact O-N 3.25Å; G314-Y316 PolarHBondContact O-N 3.1Å; Y316-R318 PolarHBondContact O-N 3Å
317	Q	97.2	Very high	98	Very high	98 Å²	98	29.3 Å²	29.3	46%	0.458	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	25.9	-173.8	-52.8	175.9	-13.1	0	0	112.9	G314 G341 Q342	G314-Q317 PolarHBondContact O-N 2.84Å; Q317-G341 CarbonylContact O-C 3.54Å; Q317-G341 PolarHBondContact O-N 3.06Å; Q317-Q342 HydrophobicContact CB-CB 4.48Å; Q317-Q342 HydrophobicContact CG-CG 4.46Å
318	R	98	Very high	97.6	Very high	8 Å²	8	28.9 Å²	28.9	3%	0.03	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	155.4	175.9	-57.9	-175.5	75.6	170.1	3	110.1	V256 Q257 V259 S260 A313 G314 Y316 V338 F339 V345	V256-R318 WeakPolarHBondContact O-CD 3.35Å; V256-R318 VanDerWaalsContact O-CZ 3.22Å; V256-R318 PolarHBondContact O-NE 3.33Å; V256-R318 PolarHBondContact O-NH1 2.9Å; Q257-R318 PolarHBondContact O-NH1 3.39Å; V259-R318 PolarHBondContact O-NH1 3.43Å; V259-R318 PolarHBondContact O-NH2 3.33Å; S260-R318 PolarHBondContact O-NH2 2.87Å; A313-R318 CarbonylContact C-O 3.58Å; A313-R318 HydrophobicContact CB-CB 4.13Å; A313-R318 WeakPolarHBondContact O-CB 3.23Å; A313-R318 PolarHBondContact O-N 3.45Å; A313-R318 VanDerWaalsContact O-O 3.05Å; G314-R318 WeakPolarHBondContact CA-O 3.4Å; G314-R318 PolarHBondContact N-O 3.36Å; Y316-R318 PolarHBondContact O-N 3Å; R318-V338 HydrophobicContact CB-CG1 4.06Å; R318-V338 PolarHBondContact NH2-O 3.13Å; R318-F339 CarbonylContact C-O 3.47Å; R318-F339 WeakPolarHBondContact CA-O 3.39Å; R318-F339 VanDerWaalsContact CB-O 3.24Å; R318-F339 WeakPolarHBondContact CB-O 3.36Å; R318-V345 WeakPolarHBondContact O-CG2 3.47Å
319	Y	98.4	Very high	97.1	Very high	48 Å²	48	31.4 Å²	31.4	19%	0.188	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.8	177.2	66.3	-87.9	0	0	0	110.7	V338 F339 T344	Y319-V338 WeakPolarHBondContact O-CA 3.45Å; Y319-F339 HydrophobicContact CD1-CB 4.11Å; Y319-F339 HydrophobicContact CD2-CB 4.37Å; Y319-F339 HydrophobicContact CE1-CB 3.5Å; Y319-F339 VanDerWaalsContact CE1-CB 3.5Å; Y319-F339 HydrophobicContact CE2-CB 3.8Å; Y319-F339 AromaticContact CE2-CD2 3.85Å; Y319-F339 HydrophobicContact CE2-CD2 3.85Å; Y319-F339 HydrophobicContact CE2-CG 4.16Å; Y319-F339 AromaticContact CZ-CG 3.95Å; Y319-F339 PolarHBondContact N-O 2.93Å; Y319-F339 PolarHBondContact O-N 3.21Å; Y319-F339 WeakPolarHBondContact OH-CB 3.43Å; Y319-T344 HydrophobicContact CD1-CG2 3.75Å; Y319-T344 HydrophobicContact CD2-CG2 3.72Å; Y319-T344 HydrophobicContact CE1-CG2 3.89Å; Y319-T344 HydrophobicContact CE2-CG2 3.86Å; Y319-T344 HydrophobicContact CG-CG2 3.65Å
320	I	98.6	Very high	96.6	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.7	176.7	69	171.8	0	0	0	111.4	L306 L309 D310 A313 V336 R337 V338 W407	L306-I320 HydrophobicContact CB-CD1 4.41Å; L306-I320 HydrophobicContact CD2-CD1 4.19Å; L306-I320 WeakPolarHBondContact O-CD1 3.16Å; L309-I320 HydrophobicContact CB-CD1 3.94Å; L309-I320 HydrophobicContact CB-CG2 4.2Å; D310-I320 HydrophobicContact CB-CD1 3.92Å; D310-I320 HydrophobicContact CB-CG1 4.05Å; A313-I320 HydrophobicContact CB-CG2 4.12Å; I320-V336 HydrophobicContact CB-CB 4.38Å; I320-V336 HydrophobicContact CB-CG2 4.43Å; I320-V336 HydrophobicContact CG2-CG2 4.35Å; I320-R337 CarbonylContact C-O 3.21Å; I320-R337 VanDerWaalsContact CA-O 3.31Å; I320-R337 WeakPolarHBondContact CA-O 3.43Å; I320-V338 HydrophobicContact CG2-CG2 4.33Å; I320-W407 HydrophobicContact CD1-CE3 4.35Å; I320-W407 HydrophobicContact CD1-CH2 4.28Å; I320-W407 HydrophobicContact CD1-CZ3 3.98Å; I320-W407 HydrophobicContact CG1-CH2 3.93Å; I320-W407 HydrophobicContact CG1-CZ3 3.92Å
321	Q	98.4	Very high	96.4	Very high	66 Å²	66	35.1 Å²	35.1	31%	0.308	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	106.7	164.2	176.1	176.5	-24.1	0	0	107.9	L323 V336 R337 F339 D413	Q321-L323 PolarHBondContact O-N 3.4Å; Q321-V336 CarbonylContact O-C 3.57Å; Q321-V336 VanDerWaalsContact O-CA 3.31Å; Q321-V336 WeakPolarHBondContact O-CA 3.14Å; Q321-R337 HydrophobicContact CB-CB 4.41Å; Q321-R337 PolarHBondContact N-O 2.87Å; Q321-R337 PolarHBondContact O-N 3.02Å; Q321-F339 HydrophobicContact CB-CD2 4.41Å; Q321-F339 HydrophobicContact CB-CE2 4.04Å; Q321-D413 PolarHBondContact NE2-OD2 2.85Å
322	P	98.6	Very high	96.4	Very high	11 Å²	11	31 Å²	31	7%	0.071	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	129	174	-19.7	32.5	0	0	0	111.3	L306 V336 W407	L306-P322 HydrophobicContact CD1-CB 4.33Å; L306-P322 HydrophobicContact CD1-CG 4.16Å; L306-P322 HydrophobicContact CD2-CB 4.21Å; L306-P322 HydrophobicContact CD2-CG 4.05Å; P322-V336 HydrophobicContact CB-CG1 4.46Å; P322-W407 HydrophobicContact CG-CH2 4.41Å; P322-W407 HydrophobicContact CG-CZ2 3.7Å
323	L	98.8	Very high	96.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-45.6	173.9	-62.5	-173.7	0	0	0	111.6	L264 Q321 F335 R337 H412 D413 F416 V417	L264-L323 HydrophobicContact CD1-CD1 3.87Å; Q321-L323 PolarHBondContact O-N 3.4Å; L323-F335 HydrophobicContact CB-CB 4.4Å; L323-F335 PolarHBondContact N-O 3.46Å; L323-R337 HydrophobicContact CD1-CG 3.75Å; L323-R337 HydrophobicContact CD2-CG 4.06Å; L323-R337 HydrophobicContact CG-CG 3.96Å; L323-H412 CarbonylContact O-C 3.53Å; L323-H412 WeakPolarHBondContact O-CA 3.28Å; L323-D413 HydrophobicContact CD2-CB 3.94Å; L323-D413 PolarHBondContact O-N 3.46Å; L323-F416 HydrophobicContact CB-CD1 3.86Å; L323-F416 HydrophobicContact CB-CE1 4.19Å; L323-F416 HydrophobicContact CB-CG 4.42Å; L323-F416 HydrophobicContact CD1-CD1 4.04Å; L323-F416 HydrophobicContact CD1-CD2 4.28Å; L323-F416 HydrophobicContact CD1-CE1 3.86Å; L323-F416 HydrophobicContact CD1-CE2 4.12Å; L323-F416 HydrophobicContact CD1-CG 4.24Å; L323-F416 HydrophobicContact CD1-CZ 3.91Å; L323-F416 HydrophobicContact CD2-CB 4.46Å; L323-F416 HydrophobicContact CD2-CG 4.31Å; L323-F416 HydrophobicContact CG-CD1 4.4Å; L323-V417 WeakPolarHBondContact O-CG2 3.33Å
324	L	98.8	Very high	96.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	139.8	-176.5	175.9	62.3	0	0	0	109.7	L99 V103 I326 V334 F335 V417 L441 V444	L99-L324 HydrophobicContact CD1-CD2 4.03Å; L99-L324 HydrophobicContact CD2-CD2 4.26Å; L99-L324 HydrophobicContact CG-CD2 4.45Å; V103-L324 HydrophobicContact CG2-CD2 4.04Å; L324-I326 HydrophobicContact CD1-CD1 3.71Å; L324-I326 HydrophobicContact CD1-CG1 4Å; L324-I326 HydrophobicContact CD2-CG1 4.25Å; L324-I326 HydrophobicContact CG-CD1 4.29Å; L324-I326 HydrophobicContact CG-CG1 4Å; L324-V334 CarbonylContact O-C 3.59Å; L324-V334 WeakPolarHBondContact O-CA 3.5Å; L324-F335 HydrophobicContact CB-CB 4.35Å; L324-F335 HydrophobicContact CB-CD2 3.9Å; L324-F335 HydrophobicContact CD2-CD2 4.05Å; L324-F335 HydrophobicContact CD2-CE2 4.12Å; L324-F335 HydrophobicContact CG-CD2 4.05Å; L324-F335 HydrophobicContact CG-CE2 4.48Å; L324-F335 PolarHBondContact N-O 3.1Å; L324-F335 PolarHBondContact O-N 3.48Å; L324-V417 HydrophobicContact CB-CG2 4.29Å; L324-V417 HydrophobicContact CD1-CG2 3.87Å; L324-L441 HydrophobicContact CD1-CD2 3.86Å; L324-L441 HydrophobicContact CD2-CD2 3.76Å; L324-L441 HydrophobicContact CG-CD2 4.48Å; L324-V444 HydrophobicContact CD1-CG1 4.14Å; L324-V444 HydrophobicContact CD1-CG2 4.39Å
325	S	98.6	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	119.6	-179.7	-61.8	0	0	0	0	108.9	R333 I411 H412 H489	S325-R333 CarbonylContact C-O 3.59Å; S325-R333 WeakPolarHBondContact CA-O 3.46Å; S325-I411 WeakPolarHBondContact CB-O 3.33Å; S325-I411 PolarHBondContact OG-O 2.83Å; S325-H412 PolarHBondContact N-ND1 3.04Å; S325-H412 PolarHBondContact O-CE1 2.78Å; S325-H489 PolarHBondContact O-CE1 2.9Å; S325-H489 PolarHBondContact O-NE2 2.88Å
326	I	97.9	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.8	-174	-63.5	-60.1	0	0	0	110.2	F95 L99 L324 A328 I332 R333 M440 V444	F95-I326 HydrophobicContact CE1-CG2 4.2Å; L99-I326 HydrophobicContact CD2-CG1 3.97Å; L324-I326 HydrophobicContact CD1-CD1 3.71Å; L324-I326 HydrophobicContact CD1-CG1 4Å; L324-I326 HydrophobicContact CD2-CG1 4.25Å; L324-I326 HydrophobicContact CG-CD1 4.29Å; L324-I326 HydrophobicContact CG-CG1 4Å; I326-A328 HydrophobicContact CG2-CB 3.76Å; I326-I332 CarbonylContact O-C 3.44Å; I326-I332 VanDerWaalsContact O-CA 3.31Å; I326-I332 WeakPolarHBondContact O-CA 3.49Å; I326-R333 PolarHBondContact N-O 2.96Å; I326-R333 PolarHBondContact O-N 3.47Å; I326-M440 HydrophobicContact CD1-CG 3.75Å; I326-M440 HydrophobicContact CD1-SD 4.47Å; I326-M440 HydrophobicContact CG2-CG 4.27Å; I326-M440 HydrophobicContact CG2-SD 4.37Å; I326-V444 HydrophobicContact CD1-CG2 3.73Å
327	S	96.1	Very high	96.7	Very high	13 Å²	13	20.9 Å²	20.9	9%	0.091	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.5	158.6	-174.4	0	0	0	0	109.4	H489	S327-H489 PolarHBondContact N-NE2 3.46Å
328	A	91.4	Very high	96.8	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.025	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.7	-177.2	0	0	0	0	0	111.2	F95 I326 F330 Y331	F95-A328 HydrophobicContact CD1-CB 4.08Å; F95-A328 HydrophobicContact CE1-CB 3.76Å; I326-A328 HydrophobicContact CG2-CB 3.76Å; A328-F330 PolarHBondContact O-N 2.81Å; A328-Y331 HydrophobicContact CB-CE1 4.24Å; A328-Y331 HydrophobicContact CB-CE2 4.26Å; A328-Y331 PolarHBondContact N-O 3.46Å; A328-Y331 WeakPolarHBondContact O-CD1 3.34Å; A328-Y331 WeakPolarHBondContact O-CE1 3.44Å; A328-Y331 PolarHBondContact O-N 3.13Å; A328-Y331 VanDerWaalsContact O-O 3.05Å
329	D	87.8	Confident	96.8	Very high	54 Å²	54	17.5 Å²	17.5	29%	0.289	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-89.4	178.9	-52.5	-36.9	0	0	0	113.3	V92 R436	V92-D329 HydrophobicContact CG1-CB 4.41Å; D329-R436 IonicContact OD1-CZ 2.61Å; D329-R436 IonicContact OD1-NH1 3.59Å; D329-R436 IonicContact OD1-NH2 3.93Å; D329-R436 PolarHBondContact OD1-NH2 3.44Å; D329-R436 IonicContact OD2-CZ 3.4Å; D329-R436 IonicContact OD2-NH1 3.21Å; D329-R436 PolarHBondContact OD2-NH1 3.26Å; D329-R436 IonicContact OD2-NH2 3.88Å; D329-R436 PolarHBondContact OD2-NH2 3.13Å
330	F	86.8	Confident	96.7	Very high	78 Å²	78	18.7 Å²	18.7	34%	0.342	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	11.4	-173.4	-46.7	-81.4	0	0	0	113.1	M272 A328 P570	M272-F330 WeakPolarHBondContact CG-O 3.35Å; A328-F330 PolarHBondContact O-N 2.81Å; F330-P570 HydrophobicContact CB-CG 3.45Å; F330-P570 VanDerWaalsContact CB-CG 3.45Å; F330-P570 HydrophobicContact CD1-CG 4.23Å; F330-P570 HydrophobicContact CD2-CG 3.81Å; F330-P570 HydrophobicContact CG-CG 3.56Å
331	Y	94.3	Very high	96.7	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.3	179.6	67.7	-88.3	0	0	0	110.5	F95 N96 T268 C269 A328 R333	F95-Y331 VanDerWaalsContact CD1-OH 3.31Å; F95-Y331 WeakPolarHBondContact CD1-OH 3.45Å; N96-Y331 HydrophobicContact CB-CE2 4.13Å; N96-Y331 WeakPolarHBondContact CB-OH 3.17Å; T268-Y331 HydrophobicContact CG2-CD2 3.77Å; T268-Y331 HydrophobicContact CG2-CG 4.16Å; C269-Y331 VanDerWaalsContact O-CA 3.28Å; C269-Y331 WeakPolarHBondContact O-CA 3.5Å; C269-Y331 WeakPolarHBondContact O-CB 3.38Å; A328-Y331 HydrophobicContact CB-CE1 4.24Å; A328-Y331 HydrophobicContact CB-CE2 4.26Å; A328-Y331 PolarHBondContact N-O 3.46Å; A328-Y331 WeakPolarHBondContact O-CD1 3.34Å; A328-Y331 WeakPolarHBondContact O-CE1 3.44Å; A328-Y331 PolarHBondContact O-N 3.13Å; A328-Y331 VanDerWaalsContact O-O 3.05Å; Y331-R333 HydrophobicContact CD2-CB 4.23Å; Y331-R333 HydrophobicContact CE2-CB 4.02Å
332	I	97.8	Very high	96.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.7	164.7	56.6	163.8	0	0	0	109.5	T268 C269 M272 M275 A301 L302 I305 I326	T268-I332 WeakPolarHBondContact CA-O 3.31Å; C269-I332 HydrophobicContact CB-CD1 4.03Å; C269-I332 HydrophobicContact CB-CG1 3.61Å; C269-I332 PolarHBondContact N-O 2.82Å; C269-I332 PolarHBondContact O-N 3.49Å; M272-I332 HydrophobicContact CE-CG2 3.89Å; M272-I332 HydrophobicContact SD-CB 4.19Å; M272-I332 HydrophobicContact SD-CD1 4.36Å; M272-I332 HydrophobicContact SD-CG1 3.85Å; M272-I332 HydrophobicContact SD-CG2 3.55Å; M272-I332 VanDerWaalsContact SD-CG2 3.55Å; M275-I332 HydrophobicContact CE-CD1 3.84Å; M275-I332 HydrophobicContact SD-CD1 3.75Å; M275-I332 HydrophobicContact SD-CG1 4.45Å; A301-I332 HydrophobicContact CB-CD1 3.95Å; A301-I332 HydrophobicContact CB-CG2 4.42Å; A301-I332 WeakPolarHBondContact O-CD1 3.35Å; L302-I332 HydrophobicContact CD2-CB 3.6Å; L302-I332 HydrophobicContact CD2-CD1 4.42Å; L302-I332 HydrophobicContact CD2-CG2 3.76Å; L302-I332 HydrophobicContact CG-CB 4.38Å; L302-I332 HydrophobicContact CG-CG2 4.04Å; I305-I332 HydrophobicContact CB-CD1 4.41Å; I305-I332 HydrophobicContact CG2-CD1 3.83Å; I326-I332 CarbonylContact O-C 3.44Å; I326-I332 VanDerWaalsContact O-CA 3.31Å; I326-I332 WeakPolarHBondContact O-CA 3.49Å
333	R	98.2	Very high	96.1	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129	-176.9	-175.5	66.9	173	158.7	-0.8	109.6	N96 T100 D241 L242 C266 V267 T268 S325 I326 Y331 F335	N96-R333 PolarHBondContact OD1-NE 3.3Å; T100-R333 PolarHBondContact OG1-NH2 3.46Å; D241-R333 IonicContact OD1-NH2 2.9Å; D241-R333 IonicContact OD2-CZ 3.94Å; D241-R333 IonicContact OD2-NH1 2.74Å; D241-R333 IonicContact OD2-NH2 3.75Å; D241-R333 PolarHBondContact OD2-NH2 3.36Å; L242-R333 PolarHBondContact O-NH1 3.08Å; C266-R333 VanDerWaalsContact CB-CZ 3.48Å; C266-R333 PolarHBondContact O-NH1 3.21Å; V267-R333 VanDerWaalsContact CA-NH1 3.34Å; V267-R333 WeakPolarHBondContact O-CA 3.2Å; V267-R333 WeakPolarHBondContact O-CD 3.29Å; T268-R333 VanDerWaalsContact OG1-CD 3.29Å; T268-R333 WeakPolarHBondContact OG1-CD 3.2Å; T268-R333 PolarHBondContact OG1-NH1 3.17Å; S325-R333 CarbonylContact C-O 3.59Å; S325-R333 WeakPolarHBondContact CA-O 3.46Å; I326-R333 PolarHBondContact N-O 2.96Å; I326-R333 PolarHBondContact O-N 3.47Å; Y331-R333 HydrophobicContact CD2-CB 4.23Å; Y331-R333 HydrophobicContact CE2-CB 4.02Å; R333-F335 HydrophobicContact CG-CD2 4.35Å; R333-F335 HydrophobicContact CG-CE2 3.59Å; R333-F335 HydrophobicContact CG-CZ 3.76Å
334	V	98.8	Very high	95.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.1	175	-60.5	0	0	0	0	110.7	V267 L302 I305 L306 L309 L324 V336	V267-V334 HydrophobicContact CB-CG2 3.89Å; V267-V334 PolarHBondContact N-O 2.92Å; V267-V334 PolarHBondContact O-N 2.67Å; L302-V334 HydrophobicContact CD2-CG1 4.12Å; I305-V334 HydrophobicContact CG1-CG2 4.17Å; I305-V334 HydrophobicContact CG2-CG1 3.62Å; I305-V334 HydrophobicContact CG2-CG2 4.03Å; L306-V334 HydrophobicContact CD2-CB 4.15Å; L306-V334 HydrophobicContact CD2-CG1 4.18Å; L306-V334 HydrophobicContact CD2-CG2 4.4Å; L306-V334 HydrophobicContact CG-CG1 4.33Å; L309-V334 HydrophobicContact CD1-CG2 3.98Å; L324-V334 CarbonylContact O-C 3.59Å; L324-V334 WeakPolarHBondContact O-CA 3.5Å; V334-V336 HydrophobicContact CB-CG1 4.49Å
335	F	98.9	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118	174.3	-59.4	-87.9	0	0	0	107	L99 T100 V103 L264 L265 C266 L323 L324 R333	L99-F335 HydrophobicContact CD2-CE2 4.02Å; L99-F335 HydrophobicContact CD2-CZ 4.37Å; L99-F335 HydrophobicContact CG-CE2 4.24Å; L99-F335 HydrophobicContact CG-CZ 4.23Å; T100-F335 HydrophobicContact CG2-CE1 4.26Å; V103-F335 HydrophobicContact CB-CD1 4.17Å; V103-F335 HydrophobicContact CB-CE1 4.08Å; V103-F335 HydrophobicContact CB-CZ 4.47Å; V103-F335 HydrophobicContact CG1-CB 4.27Å; V103-F335 HydrophobicContact CG1-CD1 3.57Å; V103-F335 HydrophobicContact CG1-CE1 4Å; V103-F335 HydrophobicContact CG1-CG 3.94Å; V103-F335 HydrophobicContact CG2-CD1 4.41Å; V103-F335 HydrophobicContact CG2-CD2 4.42Å; V103-F335 HydrophobicContact CG2-CE1 4.27Å; V103-F335 HydrophobicContact CG2-CE2 4.29Å; V103-F335 HydrophobicContact CG2-CG 4.47Å; V103-F335 HydrophobicContact CG2-CZ 4.2Å; L264-F335 HydrophobicContact CD1-CB 4.31Å; L265-F335 WeakPolarHBondContact O-CA 3.48Å; C266-F335 HydrophobicContact CB-CD1 3.78Å; C266-F335 HydrophobicContact CB-CE1 3.9Å; L323-F335 HydrophobicContact CB-CB 4.4Å; L323-F335 PolarHBondContact N-O 3.46Å; L324-F335 HydrophobicContact CB-CB 4.35Å; L324-F335 HydrophobicContact CB-CD2 3.9Å; L324-F335 HydrophobicContact CD2-CD2 4.05Å; L324-F335 HydrophobicContact CD2-CE2 4.12Å; L324-F335 HydrophobicContact CG-CD2 4.05Å; L324-F335 HydrophobicContact CG-CE2 4.48Å; L324-F335 PolarHBondContact N-O 3.1Å; L324-F335 PolarHBondContact O-N 3.48Å; R333-F335 HydrophobicContact CG-CD2 4.35Å; R333-F335 HydrophobicContact CG-CE2 3.59Å; R333-F335 HydrophobicContact CG-CZ 3.76Å
336	V	98.8	Very high	95.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.7	-177.1	-49.9	0	0	0	0	110.4	L265 L306 L309 I320 Q321 P322 V334 V338	L265-V336 HydrophobicContact CB-CG2 3.78Å; L265-V336 HydrophobicContact CD1-CG2 4.4Å; L265-V336 PolarHBondContact N-O 2.74Å; L265-V336 PolarHBondContact O-N 3Å; L306-V336 HydrophobicContact CD2-CG1 3.53Å; L309-V336 HydrophobicContact CD1-CG1 4.31Å; L309-V336 HydrophobicContact CD1-CG2 4.15Å; I320-V336 HydrophobicContact CB-CB 4.38Å; I320-V336 HydrophobicContact CB-CG2 4.43Å; I320-V336 HydrophobicContact CG2-CG2 4.35Å; Q321-V336 CarbonylContact O-C 3.57Å; Q321-V336 VanDerWaalsContact O-CA 3.31Å; Q321-V336 WeakPolarHBondContact O-CA 3.14Å; P322-V336 HydrophobicContact CB-CG1 4.46Å; V334-V336 HydrophobicContact CB-CG1 4.49Å; V336-V338 HydrophobicContact CG2-CG2 4.35Å
337	R	98.8	Very high	95.1	Very high	46 Å²	46	34.6 Å²	34.6	17%	0.174	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	148.4	165.4	-61.3	-175.6	72.1	-178.4	2.5	110	G262 G263 I320 Q321 L323 F339	G262-R337 PolarHBondContact O-NE 3.22Å; G262-R337 PolarHBondContact O-NH2 3.23Å; G263-R337 VanDerWaalsContact O-CA 3.27Å; G263-R337 WeakPolarHBondContact O-CA 3.38Å; I320-R337 CarbonylContact C-O 3.21Å; I320-R337 VanDerWaalsContact CA-O 3.31Å; I320-R337 WeakPolarHBondContact CA-O 3.43Å; Q321-R337 HydrophobicContact CB-CB 4.41Å; Q321-R337 PolarHBondContact N-O 2.87Å; Q321-R337 PolarHBondContact O-N 3.02Å; L323-R337 HydrophobicContact CD1-CG 3.75Å; L323-R337 HydrophobicContact CD2-CG 4.06Å; L323-R337 HydrophobicContact CG-CG 3.96Å; R337-F339 HydrophobicContact CB-CD2 4.23Å; R337-F339 HydrophobicContact CB-CE2 3.49Å; R337-F339 VanDerWaalsContact CB-CE2 3.49Å; R337-F339 HydrophobicContact CB-CZ 3.98Å
338	V	98.6	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.3	179.2	-171.9	0	0	0	0	111	V259 G262 G263 L265 R318 Y319 I320 V336	V259-V338 HydrophobicContact CG1-CB 3.66Å; V259-V338 HydrophobicContact CG1-CG1 4.11Å; V259-V338 HydrophobicContact CG1-CG2 3.8Å; G262-V338 WeakPolarHBondContact CA-O 3.38Å; G262-V338 PolarHBondContact N-O 3.35Å; G263-V338 PolarHBondContact O-N 3.38Å; L265-V338 HydrophobicContact CD1-CG2 3.55Å; L265-V338 HydrophobicContact CG-CG2 3.81Å; R318-V338 HydrophobicContact CB-CG1 4.06Å; R318-V338 PolarHBondContact NH2-O 3.13Å; Y319-V338 WeakPolarHBondContact O-CA 3.45Å; I320-V338 HydrophobicContact CG2-CG2 4.33Å; V336-V338 HydrophobicContact CG2-CG2 4.35Å
339	F	98.3	Very high	95.2	Very high	34 Å²	34	36.9 Å²	36.9	15%	0.149	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	160.6	-177.1	-62.9	-85.1	0	0	0	111.3	E261 G262 R318 Y319 Q321 R337	E261-F339 VanDerWaalsContact OE1-CA 3.27Å; E261-F339 WeakPolarHBondContact OE1-CA 3.46Å; G262-F339 VanDerWaalsContact CA-CD1 3.47Å; R318-F339 CarbonylContact C-O 3.47Å; R318-F339 WeakPolarHBondContact CA-O 3.39Å; R318-F339 VanDerWaalsContact CB-O 3.24Å; R318-F339 WeakPolarHBondContact CB-O 3.36Å; Y319-F339 HydrophobicContact CD1-CB 4.11Å; Y319-F339 HydrophobicContact CD2-CB 4.37Å; Y319-F339 HydrophobicContact CE1-CB 3.5Å; Y319-F339 VanDerWaalsContact CE1-CB 3.5Å; Y319-F339 HydrophobicContact CE2-CB 3.8Å; Y319-F339 AromaticContact CE2-CD2 3.85Å; Y319-F339 HydrophobicContact CE2-CD2 3.85Å; Y319-F339 HydrophobicContact CE2-CG 4.16Å; Y319-F339 AromaticContact CZ-CG 3.95Å; Y319-F339 PolarHBondContact N-O 2.93Å; Y319-F339 PolarHBondContact O-N 3.21Å; Y319-F339 WeakPolarHBondContact OH-CB 3.43Å; Q321-F339 HydrophobicContact CB-CD2 4.41Å; Q321-F339 HydrophobicContact CB-CE2 4.04Å; R337-F339 HydrophobicContact CB-CD2 4.23Å; R337-F339 HydrophobicContact CB-CE2 3.49Å; R337-F339 VanDerWaalsContact CB-CE2 3.49Å; R337-F339 HydrophobicContact CB-CZ 3.98Å
340	T	97.6	Very high	95.6	Very high	73 Å²	73	35 Å²	35	45%	0.448	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129	172.7	-56.1	0	0	0	0	109.3	E261	E261-T340 VanDerWaalsContact CD-N 3.35Å; E261-T340 PolarHBondContact OE1-N 2.95Å; E261-T340 VanDerWaalsContact OE2-CB 3.25Å; E261-T340 WeakPolarHBondContact OE2-CB 3.19Å; E261-T340 PolarHBondContact OE2-N 3.34Å; E261-T340 VanDerWaalsContact OE2-N 3.14Å; E261-T340 PolarHBondContact OE2-OG1 3.26Å
341	G	96.9	Very high	96	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	19%	0.186	C	C	.	.			trans	-177.8	93.9	-179.3	0	0	0	0	0	113.5	Q317 A343 T344 V345	Q317-G341 CarbonylContact O-C 3.54Å; Q317-G341 PolarHBondContact O-N 3.06Å; G341-A343 VanDerWaalsContact C-N 3.29Å; G341-A343 PolarHBondContact O-N 3.39Å; G341-T344 PolarHBondContact O-N 3.12Å; G341-T344 VanDerWaalsContact O-N 3.08Å; G341-V345 WeakPolarHBondContact O-CG2 3.43Å; G341-V345 PolarHBondContact O-N 3.16Å
342	Q	93.1	Very high	96.1	Very high	114 Å²	114	32.4 Å²	32.4	53%	0.533	19%	0.185	S	C	.	.	H	α-helix	trans	-58.2	-38.7	-177.9	-169.9	-172.2	70.2	0	0	113	Q317	Q317-Q342 HydrophobicContact CB-CB 4.48Å; Q317-Q342 HydrophobicContact CG-CG 4.46Å
343	A	91.4	Very high	96.1	Very high	69 Å²	69	32.4 Å²	32.4	57%	0.57	19%	0.185	S	C	*	.	H	α-helix	trans	-65.4	-43.7	176.4	0	0	0	0	0	111.5	G341 V345 K346	G341-A343 VanDerWaalsContact C-N 3.29Å; G341-A343 PolarHBondContact O-N 3.39Å; A343-V345 VanDerWaalsContact C-N 3.33Å; A343-V345 PolarHBondContact O-N 2.9Å; A343-K346 WeakPolarHBondContact O-CB 3.4Å; A343-K346 PolarHBondContact O-N 3.32Å
344	T	93.8	Very high	96.1	Very high	44 Å²	44	33.8 Å²	33.8	27%	0.27	19%	0.193	S	C	.	.	H	α-helix	trans	-65.9	-35.6	-179.5	-51.2	0	0	0	0	112.3	Y319 G341 K346 N347	Y319-T344 HydrophobicContact CD1-CG2 3.75Å; Y319-T344 HydrophobicContact CD2-CG2 3.72Å; Y319-T344 HydrophobicContact CE1-CG2 3.89Å; Y319-T344 HydrophobicContact CE2-CG2 3.86Å; Y319-T344 HydrophobicContact CG-CG2 3.65Å; G341-T344 PolarHBondContact O-N 3.12Å; G341-T344 VanDerWaalsContact O-N 3.08Å; T344-K346 PolarHBondContact O-N 3.16Å; T344-N347 WeakPolarHBondContact O-CB 3.48Å; T344-N347 PolarHBondContact O-N 3.46Å; T344-N347 PolarHBondContact O-ND2 3.15Å
345	V	95.2	Very high	96.1	Very high	31 Å²	31	33.8 Å²	33.8	19%	0.188	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-29.7	177	170.2	0	0	0	0	112.4	R318 G341 A343 N347 S348	R318-V345 WeakPolarHBondContact O-CG2 3.47Å; G341-V345 WeakPolarHBondContact O-CG2 3.43Å; G341-V345 PolarHBondContact O-N 3.16Å; A343-V345 VanDerWaalsContact C-N 3.33Å; A343-V345 PolarHBondContact O-N 2.9Å; V345-N347 PolarHBondContact O-N 2.85Å; V345-N347 VanDerWaalsContact O-N 3.07Å; V345-S348 WeakPolarHBondContact O-CB 2.94Å; V345-S348 PolarHBondContact O-N 3.38Å
346	K	92.9	Very high	96.1	Very high	128 Å²	128	35.7 Å²	35.7	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22	175.2	-61.6	-179.4	-178.6	178.9	0	112.8	A343 T344 S348 Y381	A343-K346 WeakPolarHBondContact O-CB 3.4Å; A343-K346 PolarHBondContact O-N 3.32Å; T344-K346 PolarHBondContact O-N 3.16Å; K346-S348 VanDerWaalsContact C-N 3.27Å; K346-S348 PolarHBondContact O-N 3.33Å; K346-Y381 HydrophobicContact CB-CD1 4.48Å; K346-Y381 HydrophobicContact CB-CD2 4.12Å; K346-Y381 HydrophobicContact CB-CE1 4.05Å; K346-Y381 HydrophobicContact CB-CE2 3.65Å; K346-Y381 HydrophobicContact CD-CD2 4.48Å; K346-Y381 HydrophobicContact CD-CE2 4.08Å; K346-Y381 WeakPolarHBondContact O-CD1 3.31Å; K346-Y381 WeakPolarHBondContact O-CE1 3Å
347	N	92.8	Very high	96	Very high	16 Å²	16	36.2 Å²	36.2	9%	0.086	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.7	174.2	-57.8	-52.3	0	0	0	113.3	T344 V345 A349 S350 K351 R372 Y381	T344-N347 WeakPolarHBondContact O-CB 3.48Å; T344-N347 PolarHBondContact O-N 3.46Å; T344-N347 PolarHBondContact O-ND2 3.15Å; V345-N347 PolarHBondContact O-N 2.85Å; V345-N347 VanDerWaalsContact O-N 3.07Å; N347-A349 PolarHBondContact O-N 3.24Å; N347-S350 PolarHBondContact O-N 2.9Å; N347-S350 PolarHBondContact O-OG 3.35Å; N347-K351 WeakPolarHBondContact O-CG 3.4Å; N347-K351 PolarHBondContact O-N 2.91Å; N347-R372 WeakPolarHBondContact OD1-CD 3.5Å; N347-R372 PolarHBondContact OD1-NH1 2.84Å; N347-Y381 VanDerWaalsContact OD1-CE1 3.24Å; N347-Y381 WeakPolarHBondContact OD1-CE1 3.36Å; N347-Y381 PolarHBondContact OD1-OH 2.71Å
348	S	94.8	Very high	96	Very high	14 Å²	14	34.1 Å²	34.1	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-48.9	-52.3	-171.3	174.1	0	0	0	0	112.4	D310 Q311 V345 K346 S350 K351 Q352	D310-S348 WeakPolarHBondContact OD2-CB 3.3Å; D310-S348 PolarHBondContact OD2-OG 2.95Å; Q311-S348 PolarHBondContact NE2-OG 3.43Å; Q311-S348 VanDerWaalsContact NE2-OG 3.17Å; V345-S348 WeakPolarHBondContact O-CB 2.94Å; V345-S348 PolarHBondContact O-N 3.38Å; K346-S348 VanDerWaalsContact C-N 3.27Å; K346-S348 PolarHBondContact O-N 3.33Å; S348-S350 VanDerWaalsContact C-N 3.26Å; S348-S350 PolarHBondContact O-N 2.8Å; S348-K351 WeakPolarHBondContact O-CA 3.47Å; S348-K351 WeakPolarHBondContact O-CB 3.31Å; S348-K351 PolarHBondContact O-N 2.97Å; S348-Q352 WeakPolarHBondContact O-CG 3.4Å; S348-Q352 PolarHBondContact O-N 3.43Å
349	A	94.4	Very high	95.9	Very high	50 Å²	50	37.2 Å²	37.2	41%	0.413	21%	0.214	S	C	.	.	H	α-helix	trans	-57.7	-35.8	-180	0	0	0	0	0	113.5	N347 K351 Q352 G370	N347-A349 PolarHBondContact O-N 3.24Å; A349-K351 VanDerWaalsContact C-N 3.28Å; A349-K351 PolarHBondContact O-N 2.9Å; A349-Q352 PolarHBondContact O-N 2.8Å; A349-G370 PolarHBondContact O-N 3.17Å
350	S	94.8	Very high	95.9	Very high	13 Å²	13	36.7 Å²	36.7	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-22.5	175.7	59.2	0	0	0	0	113.5	N347 S348 R368 G370	N347-S350 PolarHBondContact O-N 2.9Å; N347-S350 PolarHBondContact O-OG 3.35Å; S348-S350 VanDerWaalsContact C-N 3.26Å; S348-S350 PolarHBondContact O-N 2.8Å; S350-R368 WeakPolarHBondContact O-CD 3.34Å; S350-R368 PolarHBondContact O-NH1 2.76Å; S350-G370 WeakPolarHBondContact CA-O 3.49Å
351	K	96	Very high	95.8	Very high	27 Å²	27	33.3 Å²	33.3	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-81.8	-15.3	176.2	-56.7	-178.1	-174.6	176.8	0	113.5	N347 S348 A349 R368 W407 A408 E409	N347-K351 WeakPolarHBondContact O-CG 3.4Å; N347-K351 PolarHBondContact O-N 2.91Å; S348-K351 WeakPolarHBondContact O-CA 3.47Å; S348-K351 WeakPolarHBondContact O-CB 3.31Å; S348-K351 PolarHBondContact O-N 2.97Å; A349-K351 VanDerWaalsContact C-N 3.28Å; A349-K351 PolarHBondContact O-N 2.9Å; K351-R368 PolarHBondContact O-NH1 3.39Å; K351-W407 HydrophobicContact CB-CE3 4.38Å; K351-W407 HydrophobicContact CB-CH2 4.48Å; K351-W407 HydrophobicContact CB-CZ3 4.19Å; K351-W407 HydrophobicContact CD-CH2 3.53Å; K351-W407 HydrophobicContact CD-CZ2 4.22Å; K351-W407 HydrophobicContact CD-CZ3 3.81Å; K351-A408 PolarHBondContact O-N 2.69Å; K351-E409 HydrophobicContact CB-CG 3.81Å; K351-E409 HydrophobicContact CD-CG 4.27Å; K351-E409 HydrophobicContact CG-CG 3.69Å
352	Q	97.3	Very high	95.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.1	-179.3	-52.7	-48.8	-37.3	0	0	111.2	H307 D310 S348 A349 R368 L369 P405 F406	H307-Q352 VanDerWaalsContact ND1-CD 3.31Å; H307-Q352 PolarHBondContact ND1-OE1 3.2Å; D310-Q352 PolarHBondContact OD2-NE2 2.82Å; S348-Q352 WeakPolarHBondContact O-CG 3.4Å; S348-Q352 PolarHBondContact O-N 3.43Å; A349-Q352 PolarHBondContact O-N 2.8Å; Q352-R368 CarbonylContact O-C 3.55Å; Q352-R368 WeakPolarHBondContact O-CA 3.15Å; Q352-L369 HydrophobicContact CB-CD1 3.82Å; Q352-L369 HydrophobicContact CB-CG 4.18Å; Q352-L369 PolarHBondContact O-N 2.96Å; Q352-P405 HydrophobicContact CB-CB 4.46Å; Q352-F406 CarbonylContact C-O 3.54Å; Q352-F406 WeakPolarHBondContact CA-O 3.37Å; Q352-F406 PolarHBondContact OE1-O 3.34Å
353	A	97.8	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.1	177.8	0	0	0	0	0	114	V366 Q367 P405 F406 A408	A353-V366 HydrophobicContact CB-CG1 3.41Å; A353-V366 VanDerWaalsContact CB-CG1 3.41Å; A353-Q367 CarbonylContact C-O 3.59Å; A353-Q367 WeakPolarHBondContact CA-O 3.4Å; A353-Q367 WeakPolarHBondContact CB-O 3.38Å; A353-P405 CarbonylContact O-C 3.58Å; A353-P405 WeakPolarHBondContact O-CA 3.43Å; A353-F406 HydrophobicContact CB-CE1 4.42Å; A353-F406 HydrophobicContact CB-CE2 4.43Å; A353-F406 HydrophobicContact CB-CZ 4.17Å; A353-F406 PolarHBondContact N-O 2.61Å; A353-F406 VanDerWaalsContact O-CD1 3.24Å; A353-F406 WeakPolarHBondContact O-CD1 3.36Å; A353-F406 WeakPolarHBondContact O-CE1 3.32Å; A353-F406 PolarHBondContact O-N 2.83Å; A353-A408 HydrophobicContact CB-CB 3.52Å
354	L	98.1	Very high	96.4	Very high	31 Å²	31	25.6 Å²	25.6	16%	0.162	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	154.8	163.6	-60.5	173.2	0	0	0	109.7	V366 Q367 L369 L402 G403 P405	L354-V366 CarbonylContact O-C 3.49Å; L354-V366 WeakPolarHBondContact O-CA 3.29Å; L354-Q367 PolarHBondContact N-O 3.31Å; L354-Q367 PolarHBondContact O-N 2.78Å; L354-L369 HydrophobicContact CD1-CD2 3.93Å; L354-L369 HydrophobicContact CD2-CD2 4.45Å; L354-L369 HydrophobicContact CG-CD2 3.77Å; L354-L402 HydrophobicContact CB-CD1 4.03Å; L354-L402 HydrophobicContact CD1-CD1 4.29Å; L354-G403 WeakPolarHBondContact CA-O 3.38Å; L354-P405 HydrophobicContact CD2-CB 4.4Å; L354-P405 HydrophobicContact CD2-CG 3.97Å
355	V	98.1	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.3	170.8	57.9	0	0	0	0	110.1	I292 M300 F364 H365 L402 G403 F406 L453	I292-V355 HydrophobicContact CD1-CG1 3.94Å; M300-V355 HydrophobicContact CE-CG1 4.13Å; V355-F364 HydrophobicContact CG2-CB 3.78Å; V355-F364 HydrophobicContact CG2-CD2 4.32Å; V355-F364 HydrophobicContact CG2-CG 4.38Å; V355-H365 WeakPolarHBondContact CA-O 3.39Å; V355-L402 WeakPolarHBondContact O-CA 3.4Å; V355-G403 PolarHBondContact N-O 3.16Å; V355-G403 PolarHBondContact O-N 3.04Å; V355-F406 HydrophobicContact CB-CE1 3.63Å; V355-F406 HydrophobicContact CB-CZ 4.17Å; V355-F406 HydrophobicContact CG1-CD1 4.39Å; V355-F406 HydrophobicContact CG1-CE1 3.78Å; V355-L453 HydrophobicContact CG2-CD1 4.15Å
356	Y	98.2	Very high	96.6	Very high	41 Å²	41	26.1 Å²	26.1	16%	0.161	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.4	169.4	-67.2	-97.8	0	0	0	107.8	F364 H365 Q367 P387 P388 V389 L402	Y356-F364 CarbonylContact O-C 3.6Å; Y356-F364 WeakPolarHBondContact O-CA 3.49Å; Y356-H365 PolarHBondContact N-O 3.14Å; Y356-H365 PolarHBondContact O-N 3.1Å; Y356-Q367 HydrophobicContact CD2-CB 4.48Å; Y356-Q367 HydrophobicContact CE2-CB 3.98Å; Y356-Q367 PolarHBondContact OH-OE1 3.37Å; Y356-Q367 VanDerWaalsContact OH-OE1 3.13Å; Y356-P387 HydrophobicContact CE1-CB 3.97Å; Y356-P387 HydrophobicContact CE2-CB 4.49Å; Y356-P388 HydrophobicContact CD2-CG 3.9Å; Y356-P388 HydrophobicContact CE2-CG 4.12Å; Y356-V389 HydrophobicContact CD1-CG2 3.55Å; Y356-V389 HydrophobicContact CE1-CG2 4.22Å; Y356-V389 HydrophobicContact CG-CG2 3.75Å; Y356-L402 HydrophobicContact CD1-CD1 3.98Å; Y356-L402 HydrophobicContact CD2-CD1 4.2Å; Y356-L402 HydrophobicContact CE1-CD1 3.68Å; Y356-L402 HydrophobicContact CE2-CD1 3.89Å; Y356-L402 HydrophobicContact CG-CD1 4.22Å
357	N	98.1	Very high	96.8	Very high	11 Å²	11	21.3 Å²	21.3	6%	0.059	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.9	-175.7	179.4	84.6	0	0	0	111	I292 Y296 V359 H400 Q401	I292-N357 HydrophobicContact CD1-CB 3.47Å; I292-N357 VanDerWaalsContact CD1-CB 3.47Å; Y296-N357 WeakPolarHBondContact OH-CB 3.01Å; Y296-N357 VanDerWaalsContact OH-CG 3.3Å; Y296-N357 PolarHBondContact OH-OD1 2.8Å; N357-V359 PolarHBondContact O-N 3.29Å; N357-H400 CarbonylContact O-C 3.57Å; N357-H400 WeakPolarHBondContact O-CA 3.46Å; N357-Q401 PolarHBondContact N-O 3.01Å; N357-Q401 PolarHBondContact O-N 2.79Å
358	C	98.2	Very high	97	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126.2	174	178.5	0	0	0	0	110.7	G360 C361 G362 S363 C393 C396	C358-G360 PolarHBondContact O-N 2.85Å; C358-G360 PolarHBondContact SG-N 2.91Å; C358-G360 VanDerWaalsContact SG-N 3.37Å; C358-C361 PolarHBondContact SG-N 3.03Å; C358-G362 WeakPolarHBondContact O-CA 3.41Å; C358-G362 PolarHBondContact O-N 3.43Å; C358-G362 VanDerWaalsContact O-N 3.12Å; C358-S363 WeakPolarHBondContact CB-O 3.14Å; C358-S363 PolarHBondContact N-O 2.91Å; C358-C393 HydrophobicContact CB-CB 3.98Å; C358-C393 WeakPolarHBondContact SG-CB 3.33Å; C358-C393 VanDerWaalsContact SG-SG 3.67Å; C358-C396 PolarHBondContact SG-SG 2.9Å
359	V	96.9	Very high	97	Very high	65 Å²	65	26.9 Å²	26.9	39%	0.394	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.3	-179.9	-55.1	0	0	0	0	113.5	N357 Q398 R399 Q401	N357-V359 PolarHBondContact O-N 3.29Å; V359-Q398 HydrophobicContact CG2-CB 4.28Å; V359-R399 HydrophobicContact CG1-CG 4.35Å; V359-R399 HydrophobicContact CG2-CG 3.63Å; V359-R399 WeakPolarHBondContact CG2-O 3.36Å; V359-R399 PolarHBondContact N-O 2.88Å; V359-Q401 HydrophobicContact CG1-CB 3.91Å
360	G	96.9	Very high	97	Very high	24 Å²	24	24.9 Å²	24.9	25%	0.247	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-63.8	179.8	0	0	0	0	0	112.9	C358	C358-G360 PolarHBondContact O-N 2.85Å; C358-G360 PolarHBondContact SG-N 2.91Å; C358-G360 VanDerWaalsContact SG-N 3.37Å
361	C	97.1	Very high	96.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.5	-172.4	69	0	0	0	0	114.1	C358 S363 C393 C396 T463 W505 I531	C358-C361 PolarHBondContact SG-N 3.03Å; C361-S363 PolarHBondContact O-N 3.07Å; C361-S363 PolarHBondContact SG-OG 3.27Å; C361-C393 VanDerWaalsContact SG-SG 3.64Å; C361-C396 HydrophobicContact CB-CB 4.16Å; C361-C396 VanDerWaalsContact SG-SG 3.62Å; C361-T463 HydrophobicContact CB-CG2 4Å; C361-W505 HydrophobicContact CB-CH2 4.31Å; C361-W505 HydrophobicContact CB-CZ2 3.58Å; C361-W505 WeakPolarHBondContact O-CZ2 3.25Å; C361-I531 HydrophobicContact CB-CD1 3.8Å
362	G	96.9	Very high	96.6	Very high	17 Å²	17	34.8 Å²	34.8	18%	0.175	17%	0.17	C	C	.	.			trans	76.2	5.3	-178	0	0	0	0	0	114.8	C358	C358-G362 WeakPolarHBondContact O-CA 3.41Å; C358-G362 PolarHBondContact O-N 3.43Å; C358-G362 VanDerWaalsContact O-N 3.12Å
363	S	97.8	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.			trans	-57	140.9	166.2	-56.6	0	0	0	0	110	C358 C361 H395 W505	C358-S363 WeakPolarHBondContact CB-O 3.14Å; C358-S363 PolarHBondContact N-O 2.91Å; C361-S363 PolarHBondContact O-N 3.07Å; C361-S363 PolarHBondContact SG-OG 3.27Å; S363-H395 PolarHBondContact OG-CD2 3Å; S363-W505 PolarHBondContact OG-NE1 3.26Å
364	F	97.9	Very high	95.6	Very high	22 Å²	22	42.7 Å²	42.7	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.6	-178	63.2	-93.1	0	0	0	112.3	Y296 V355 Y356 V366 L453 Y455	Y296-F364 HydrophobicContact CD1-CD1 4Å; Y296-F364 AromaticContact CD1-CE1 3.91Å; Y296-F364 HydrophobicContact CD1-CE1 3.91Å; Y296-F364 HydrophobicContact CE1-CB 4.33Å; Y296-F364 AromaticContact CE1-CD1 3.45Å; Y296-F364 HydrophobicContact CE1-CD1 3.45Å; Y296-F364 VanDerWaalsContact CE1-CD1 3.45Å; Y296-F364 AromaticContact CE1-CE1 3.86Å; Y296-F364 HydrophobicContact CE1-CE1 3.86Å; Y296-F364 AromaticContact CE1-CG 3.91Å; Y296-F364 HydrophobicContact CE1-CG 3.91Å; V355-F364 HydrophobicContact CG2-CB 3.78Å; V355-F364 HydrophobicContact CG2-CD2 4.32Å; V355-F364 HydrophobicContact CG2-CG 4.38Å; Y356-F364 CarbonylContact O-C 3.6Å; Y356-F364 WeakPolarHBondContact O-CA 3.49Å; F364-V366 HydrophobicContact CD2-CG2 4.27Å; F364-V366 HydrophobicContact CE2-CG2 4.5Å; F364-L453 HydrophobicContact CD2-CD1 4.03Å; F364-L453 HydrophobicContact CE2-CB 3.81Å; F364-L453 HydrophobicContact CE2-CD1 3.98Å; F364-L453 HydrophobicContact CE2-CG 4.43Å; F364-L453 HydrophobicContact CZ-CB 3.75Å; F364-Y455 HydrophobicContact CD1-CE1 4.04Å; F364-Y455 HydrophobicContact CD1-CE2 4.31Å; F364-Y455 AromaticContact CD1-CZ 3.8Å; F364-Y455 HydrophobicContact CE1-CD1 4.25Å; F364-Y455 AromaticContact CE1-CD2 3.97Å; F364-Y455 HydrophobicContact CE1-CD2 3.97Å; F364-Y455 AromaticContact CE1-CE1 3.81Å; F364-Y455 HydrophobicContact CE1-CE1 3.81Å; F364-Y455 AromaticContact CE1-CE2 3.46Å; F364-Y455 HydrophobicContact CE1-CE2 3.46Å; F364-Y455 VanDerWaalsContact CE1-CE2 3.46Å; F364-Y455 HydrophobicContact CE1-CG 4.34Å; F364-Y455 AromaticContact CE1-CZ 3.39Å; F364-Y455 HydrophobicContact CZ-CD2 4.29Å; F364-Y455 AromaticContact CZ-CE2 3.71Å; F364-Y455 HydrophobicContact CZ-CE2 3.71Å
365	H	97.5	Very high	94.8	Very high	39 Å²	39	45 Å²	45	18%	0.181	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.4	174.5	-60.6	-104.6	0	0	0	109.4	V355 Y356 P388 V389	V355-H365 WeakPolarHBondContact CA-O 3.39Å; Y356-H365 PolarHBondContact N-O 3.14Å; Y356-H365 PolarHBondContact O-N 3.1Å; H365-P388 HydrophobicContact CB-CB 4.48Å; H365-P388 HydrophobicContact CB-CG 4.02Å; H365-V389 HydrophobicContact CB-CG1 3.78Å; H365-V389 WeakPolarHBondContact CD2-CG1 3.35Å; H365-V389 VanDerWaalsContact CG-CG1 3.47Å
366	V	97.1	Very high	94.1	Very high	47 Å²	47	48.4 Å²	48.4	29%	0.285	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.4	-179.2	179.2	0	0	0	0	109.5	A353 L354 F364 F406 P452 L453	A353-V366 HydrophobicContact CB-CG1 3.41Å; A353-V366 VanDerWaalsContact CB-CG1 3.41Å; L354-V366 CarbonylContact O-C 3.49Å; L354-V366 WeakPolarHBondContact O-CA 3.29Å; F364-V366 HydrophobicContact CD2-CG2 4.27Å; F364-V366 HydrophobicContact CE2-CG2 4.5Å; V366-F406 HydrophobicContact CG1-CE2 4.5Å; V366-F406 HydrophobicContact CG1-CZ 3.91Å; V366-F406 HydrophobicContact CG2-CZ 4.08Å; V366-P452 HydrophobicContact CG2-CG 4.19Å; V366-L453 HydrophobicContact CG2-CD1 4.36Å
367	Q	96.4	Very high	93.2	Very high	27 Å²	27	56.5 Å²	56.5	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.1	177.4	-171.6	-175.1	21.7	0	0	110.3	A353 L354 Y356 T385 G386 P388	A353-Q367 CarbonylContact C-O 3.59Å; A353-Q367 WeakPolarHBondContact CA-O 3.4Å; A353-Q367 WeakPolarHBondContact CB-O 3.38Å; L354-Q367 PolarHBondContact N-O 3.31Å; L354-Q367 PolarHBondContact O-N 2.78Å; Y356-Q367 HydrophobicContact CD2-CB 4.48Å; Y356-Q367 HydrophobicContact CE2-CB 3.98Å; Y356-Q367 PolarHBondContact OH-OE1 3.37Å; Y356-Q367 VanDerWaalsContact OH-OE1 3.13Å; Q367-T385 PolarHBondContact NE2-O 2.88Å; Q367-G386 VanDerWaalsContact NE2-CA 3.27Å; Q367-P388 HydrophobicContact CB-CG 4.09Å
368	R	96	Very high	92.4	Very high	78 Å²	78	63 Å²	63	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.2	171.7	-61.2	-54.8	-170	123.6	0.7	110.9	S350 K351 Q352 A384 A408 E409	S350-R368 WeakPolarHBondContact O-CD 3.34Å; S350-R368 PolarHBondContact O-NH1 2.76Å; K351-R368 PolarHBondContact O-NH1 3.39Å; Q352-R368 CarbonylContact O-C 3.55Å; Q352-R368 WeakPolarHBondContact O-CA 3.15Å; R368-A384 WeakPolarHBondContact O-CB 3.48Å; R368-A408 PolarHBondContact NH2-O 2.99Å; R368-E409 IonicContact CZ-OE1 3.24Å; R368-E409 IonicContact NH1-OE1 3.74Å; R368-E409 PolarHBondContact NH1-OE1 3.42Å; R368-E409 IonicContact NH2-OE1 2.71Å; R368-E409 PolarHBondContact NH2-OE1 3.06Å
369	L	95.8	Very high	91.9	Very high	69 Å²	69	66.3 Å²	66.3	36%	0.361	35%	0.354	S	S	.	.	S	Bend	trans	-78.9	-34.3	176.4	-65	-174.4	0	0	0	112.7	Q352 L354 A384 P405	Q352-L369 HydrophobicContact CB-CD1 3.82Å; Q352-L369 HydrophobicContact CB-CG 4.18Å; Q352-L369 PolarHBondContact O-N 2.96Å; L354-L369 HydrophobicContact CD1-CD2 3.93Å; L354-L369 HydrophobicContact CD2-CD2 4.45Å; L354-L369 HydrophobicContact CG-CD2 3.77Å; L369-A384 PolarHBondContact O-N 3.24Å; L369-P405 HydrophobicContact CD1-CB 3.96Å; L369-P405 HydrophobicContact CD1-CG 3.93Å
370	G	94.7	Very high	91.6	Very high	8 Å²	8	70 Å²	70	8%	0.082	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.4	178.4	0	0	0	0	0	112.9	A349 S350 S382	A349-G370 PolarHBondContact O-N 3.17Å; S350-G370 WeakPolarHBondContact CA-O 3.49Å; G370-S382 WeakPolarHBondContact CA-O 3.22Å
371	R	92.1	Very high	91.4	Very high	123 Å²	123	72.6 Å²	72.6	46%	0.464	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	144.3	167.9	-71.7	178.4	178.7	174.9	1	109.8	Y381 S382 A384 T385	R371-Y381 WeakPolarHBondContact O-CA 3.42Å; R371-S382 PolarHBondContact N-O 3.4Å; R371-S382 PolarHBondContact O-N 2.74Å; R371-A384 HydrophobicContact CG-CB 4.47Å; R371-T385 PolarHBondContact NH1-OG1 3.01Å; R371-T385 PolarHBondContact NH2-OG1 3.39Å
372	R	90	Very high	91.2	Very high	124 Å²	124	75 Å²	75	47%	0.468	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.1	176.2	-179	-179.8	75.1	172	-2.7	108.4	N347 M379 K380 Y381	N347-R372 WeakPolarHBondContact OD1-CD 3.5Å; N347-R372 PolarHBondContact OD1-NH1 2.84Å; R372-M379 WeakPolarHBondContact CD-SD 3.4Å; R372-M379 HydrophobicContact CG-CE 3.53Å; R372-M379 HydrophobicContact CG-SD 3.56Å; R372-M379 VanDerWaalsContact CG-SD 3.56Å; R372-K380 WeakPolarHBondContact CA-O 3.23Å; R372-Y381 HydrophobicContact CB-CD1 4.39Å; R372-Y381 HydrophobicContact CB-CE1 4.34Å; R372-Y381 HydrophobicContact CG-CD1 4.29Å; R372-Y381 HydrophobicContact CG-CE1 3.85Å
373	I	87.6	Confident	91.1	Very high	88 Å²	88	78 Å²	78	45%	0.451	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.6	179.7	-56.7	173	0	0	0	107.8	K380	I373-K380 PolarHBondContact N-O 3.34Å; I373-K380 PolarHBondContact O-N 3.38Å
374	S	85.9	Confident	90.9	Very high	81 Å²	81	79.5 Å²	79.5	57%	0.566	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.9	174.9	-165.3	0	0	0	0	110.2	M379	S374-M379 VanDerWaalsContact CB-CE 3.45Å
375	S	82.1	Confident	90.6	Very high	80 Å²	80	83.1 Å²	83.1	56%	0.559	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	81.8	172.3	-60.7	0	0	0	0	108.2	K377 H378	S375-K377 PolarHBondContact O-N 2.98Å; S375-H378 PolarHBondContact N-O 3.09Å; S375-H378 PolarHBondContact O-N 3.31Å; S375-H378 VanDerWaalsContact O-N 3.11Å
376	G	83.3	Confident	90.2	Very high	71 Å²	71	83.6 Å²	83.6	73%	0.732	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-121	-172.5	0	0	0	0	0	111.4	H378	G376-H378 VanDerWaalsContact C-N 3.31Å
377	K	79.3	Confident	90.1	Very high	211 Å²	211	85.2 Å²	85.2	92%	0.917	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.3	177.7	-65.9	-173.4	179.8	-177.7	0	113.9	S375	S375-K377 PolarHBondContact O-N 2.98Å
378	H	80.1	Confident	90	Very high	148 Å²	148	86.9 Å²	86.9	69%	0.685	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.9	-177	-67	-77.2	0	0	0	111.7	S375 G376	S375-H378 PolarHBondContact N-O 3.09Å; S375-H378 PolarHBondContact O-N 3.31Å; S375-H378 VanDerWaalsContact O-N 3.11Å; G376-H378 VanDerWaalsContact C-N 3.31Å
379	M	87.6	Confident	90	Very high	70 Å²	70	84.2 Å²	84.2	35%	0.345	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.8	172	-73.8	-105.9	86	0	0	110.1	R372 S374 Y381	R372-M379 WeakPolarHBondContact CD-SD 3.4Å; R372-M379 HydrophobicContact CG-CE 3.53Å; R372-M379 HydrophobicContact CG-SD 3.56Å; R372-M379 VanDerWaalsContact CG-SD 3.56Å; S374-M379 VanDerWaalsContact CB-CE 3.45Å; M379-Y381 HydrophobicContact CB-CE2 3.76Å
380	K	91	Very high	90	Very high	142 Å²	142	83 Å²	83	62%	0.617	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	129	171	-173.3	177.6	-179.7	179	0	110	R372 I373	R372-K380 WeakPolarHBondContact CA-O 3.23Å; I373-K380 PolarHBondContact N-O 3.34Å; I373-K380 PolarHBondContact O-N 3.38Å
381	Y	92.6	Very high	90	Very high	78 Å²	78	88.7 Å²	88.7	31%	0.306	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.5	176	-59.3	-82.8	0	0	0	109.8	K346 N347 R371 R372 M379	K346-Y381 HydrophobicContact CB-CD1 4.48Å; K346-Y381 HydrophobicContact CB-CD2 4.12Å; K346-Y381 HydrophobicContact CB-CE1 4.05Å; K346-Y381 HydrophobicContact CB-CE2 3.65Å; K346-Y381 HydrophobicContact CD-CD2 4.48Å; K346-Y381 HydrophobicContact CD-CE2 4.08Å; K346-Y381 WeakPolarHBondContact O-CD1 3.31Å; K346-Y381 WeakPolarHBondContact O-CE1 3Å; N347-Y381 VanDerWaalsContact OD1-CE1 3.24Å; N347-Y381 WeakPolarHBondContact OD1-CE1 3.36Å; N347-Y381 PolarHBondContact OD1-OH 2.71Å; R371-Y381 WeakPolarHBondContact O-CA 3.42Å; R372-Y381 HydrophobicContact CB-CD1 4.39Å; R372-Y381 HydrophobicContact CB-CE1 4.34Å; R372-Y381 HydrophobicContact CG-CD1 4.29Å; R372-Y381 HydrophobicContact CG-CE1 3.85Å; M379-Y381 HydrophobicContact CB-CE2 3.76Å
382	S	93.8	Very high	90.2	Very high	52 Å²	52	88.9 Å²	88.9	36%	0.364	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.9	174.2	70.1	0	0	0	0	111	G370 R371	G370-S382 WeakPolarHBondContact CA-O 3.22Å; R371-S382 PolarHBondContact N-O 3.4Å; R371-S382 PolarHBondContact O-N 2.74Å
383	A	94.1	Very high	90.6	Very high	81 Å²	81	83.2 Å²	83.2	67%	0.669	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	152.4	169	0	0	0	0	0	111.1
384	A	93.6	Very high	91	Very high	31 Å²	31	86 Å²	86	26%	0.256	51%	0.513	S	S	.	.			trans	-75.6	157.6	169.3	0	0	0	0	0	112	R368 L369 R371	R368-A384 WeakPolarHBondContact O-CB 3.48Å; L369-A384 PolarHBondContact O-N 3.24Å; R371-A384 HydrophobicContact CG-CB 4.47Å
385	T	92.8	Very high	91.5	Very high	98 Å²	98	83 Å²	83	60%	0.601	49%	0.49	S	S	*	.			trans	-107.6	142.3	174.1	-44.3	0	0	0	0	109.2	Q367 R371	Q367-T385 PolarHBondContact NE2-O 2.88Å; R371-T385 PolarHBondContact NH1-OG1 3.01Å; R371-T385 PolarHBondContact NH2-OG1 3.39Å
386	G	89.4	Confident	92.2	Very high	48 Å²	48	79.3 Å²	79.3	50%	0.495	46%	0.464	S	S	.	.			trans	173.8	-156.7	170.4	0	0	0	0	0	111.8	Q367	Q367-G386 VanDerWaalsContact NE2-CA 3.27Å
387	P	93.6	Very high	92.9	Very high	81 Å²	81	77.4 Å²	77.4	53%	0.526	45%	0.445	S	S	.	.			cis	-67.6	161.2	9.7	29.3	-37	0	0	0	113.9	Y356 V389	Y356-P387 HydrophobicContact CE1-CB 3.97Å; Y356-P387 HydrophobicContact CE2-CB 4.49Å; P387-V389 HydrophobicContact CB-CG2 4.46Å; P387-V389 PolarHBondContact O-N 3.47Å
388	P	94.3	Very high	93.7	Very high	62 Å²	62	70.6 Å²	70.6	40%	0.403	42%	0.416	S	S	.	.	S	Bend	trans	-80.9	1.8	176.4	35.6	-37.1	0	0	0	113.4	Y356 H365 Q367	Y356-P388 HydrophobicContact CD2-CG 3.9Å; Y356-P388 HydrophobicContact CE2-CG 4.12Å; H365-P388 HydrophobicContact CB-CB 4.48Å; H365-P388 HydrophobicContact CB-CG 4.02Å; Q367-P388 HydrophobicContact CB-CG 4.09Å
389	V	96.6	Very high	94.6	Very high	22 Å²	22	72.3 Å²	72.3	13%	0.133	42%	0.417	C	S	.	.	S	Bend	trans	-133.1	154.8	-175	-65.4	0	0	0	0	110.6	Y356 H365 P387	Y356-V389 HydrophobicContact CD1-CG2 3.55Å; Y356-V389 HydrophobicContact CE1-CG2 4.22Å; Y356-V389 HydrophobicContact CG-CG2 3.75Å; H365-V389 HydrophobicContact CB-CG1 3.78Å; H365-V389 WeakPolarHBondContact CD2-CG1 3.35Å; H365-V389 VanDerWaalsContact CG-CG1 3.47Å; P387-V389 HydrophobicContact CB-CG2 4.46Å; P387-V389 PolarHBondContact O-N 3.47Å
390	G	96.1	Very high	95.1	Very high	45 Å²	45	70.7 Å²	70.7	46%	0.464	41%	0.408	S	S	.	.			trans	-73.4	-178	167.6	0	0	0	0	0	113.3	E392	G390-E392 PolarHBondContact O-N 3.11Å
391	P	94.5	Very high	95.3	Very high	126 Å²	126	68.1 Å²	68.1	82%	0.818	40%	0.398	S	S	*	.	S	Bend	trans	-62.5	-31.8	178.6	25.3	-33.8	0	0	0	112.8
392	E	96.9	Very high	95.5	Very high	127 Å²	127	68.4 Å²	68.4	59%	0.593	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-122.8	155.4	179.5	-63.1	-178.3	163.3	0	0	110.6	G390 E394 H400	G390-E392 PolarHBondContact O-N 3.11Å; E392-E394 PolarHBondContact O-N 3.04Å; E392-H400 VanDerWaalsContact C-CE1 3.47Å
393	C	97.6	Very high	95.7	Very high	5 Å²	5	66 Å²	66	3%	0.034	39%	0.388	C	S	.	.			trans	-67.8	125.5	176.2	177.7	0	0	0	0	110.6	C358 C361 H395 C396 G397 Q398 H400	C358-C393 HydrophobicContact CB-CB 3.98Å; C358-C393 WeakPolarHBondContact SG-CB 3.33Å; C358-C393 VanDerWaalsContact SG-SG 3.67Å; C361-C393 VanDerWaalsContact SG-SG 3.64Å; C393-H395 PolarHBondContact O-N 2.74Å; C393-H395 VanDerWaalsContact O-N 3.12Å; C393-C396 PolarHBondContact O-N 2.97Å; C393-G397 WeakPolarHBondContact O-CA 3.46Å; C393-G397 PolarHBondContact O-N 3.23Å; C393-Q398 WeakPolarHBondContact CB-O 3.45Å; C393-Q398 PolarHBondContact N-O 3.14Å; C393-H400 VanDerWaalsContact CA-CE1 3.42Å; C393-H400 WeakPolarHBondContact CA-CE1 3.25Å; C393-H400 PolarHBondContact N-CE1 2.87Å; C393-H400 VanDerWaalsContact N-CE1 3.33Å
394	E	96.3	Very high	95.9	Very high	148 Å²	148	62.3 Å²	62.3	69%	0.692	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	-179.9	64.9	-177.1	151.2	0	0	113.8	E392	E392-E394 PolarHBondContact O-N 3.04Å
395	H	96.8	Very high	96.1	Very high	16 Å²	16	62 Å²	62	7%	0.074	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-32.6	-177.5	-54.5	-52.6	0	0	0	114.1	S363 C393 P501 G502 W505 I531	S363-H395 PolarHBondContact OG-CD2 3Å; C393-H395 PolarHBondContact O-N 2.74Å; C393-H395 VanDerWaalsContact O-N 3.12Å; H395-P501 WeakPolarHBondContact NE2-CB 3.47Å; H395-G502 VanDerWaalsContact CE1-CA 3.42Å; H395-G502 WeakPolarHBondContact CE1-CA 3.38Å; H395-G502 PolarHBondContact CE1-N 2.63Å; H395-W505 AromaticContact CD2-CD1 3.64Å; H395-W505 AromaticContact CD2-NE1 3.94Å; H395-W505 AromaticContact CG-CD1 3.55Å; H395-I531 HydrophobicContact CB-CG1 4.49Å; H395-I531 WeakPolarHBondContact O-CG1 3.36Å
396	C	97.1	Very high	96.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.02	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	0.1	-171.8	75.8	0	0	0	0	115.4	C358 C361 C393 Q398 P527 I531	C358-C396 PolarHBondContact SG-SG 2.9Å; C361-C396 HydrophobicContact CB-CB 4.16Å; C361-C396 VanDerWaalsContact SG-SG 3.62Å; C393-C396 PolarHBondContact O-N 2.97Å; C396-Q398 PolarHBondContact O-N 3.44Å; C396-P527 HydrophobicContact CB-CB 3.89Å; C396-I531 HydrophobicContact CB-CD1 4.23Å; C396-I531 HydrophobicContact CB-CG1 4.08Å
397	G	96.7	Very high	96.8	Very high	32 Å²	32	55.4 Å²	55.4	33%	0.33	30%	0.303	S	S	.	.			trans	70	7	179.2	0	0	0	0	0	114.9	C393	C393-G397 WeakPolarHBondContact O-CA 3.46Å; C393-G397 PolarHBondContact O-N 3.23Å
398	Q	97.3	Very high	97	Very high	68 Å²	68	51.6 Å²	51.6	32%	0.318	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-88.3	153.9	178.9	-64.6	-67.7	-25.7	0	0	111.5	V359 C393 C396 P527	V359-Q398 HydrophobicContact CG2-CB 4.28Å; C393-Q398 WeakPolarHBondContact CB-O 3.45Å; C393-Q398 PolarHBondContact N-O 3.14Å; C396-Q398 PolarHBondContact O-N 3.44Å; Q398-P527 HydrophobicContact CG-CG 4.23Å
399	R	97.4	Very high	97.1	Very high	183 Å²	183	52 Å²	52	69%	0.691	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-64.2	161.2	178.5	65.3	-178.5	-179.2	167.3	0.6	113.8	V359	V359-R399 HydrophobicContact CG1-CG 4.35Å; V359-R399 HydrophobicContact CG2-CG 3.63Å; V359-R399 WeakPolarHBondContact CG2-O 3.36Å; V359-R399 PolarHBondContact N-O 2.88Å
400	H	97.8	Very high	97.2	Very high	37 Å²	37	52.3 Å²	52.3	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.1	171.4	-59.1	98.8	0	0	0	111.5	N357 E392 C393	N357-H400 CarbonylContact O-C 3.57Å; N357-H400 WeakPolarHBondContact O-CA 3.46Å; E392-H400 VanDerWaalsContact C-CE1 3.47Å; C393-H400 VanDerWaalsContact CA-CE1 3.42Å; C393-H400 WeakPolarHBondContact CA-CE1 3.25Å; C393-H400 PolarHBondContact N-CE1 2.87Å; C393-H400 VanDerWaalsContact N-CE1 3.33Å
401	Q	96.5	Very high	97.3	Very high	87 Å²	87	50.4 Å²	50.4	41%	0.407	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137	164.3	-172.6	174.6	-2.7	0	0	109	I292 N357 V359	I292-Q401 HydrophobicContact CG2-CG 4.09Å; N357-Q401 PolarHBondContact N-O 3.01Å; N357-Q401 PolarHBondContact O-N 2.79Å; V359-Q401 HydrophobicContact CG1-CB 3.91Å
402	L	96.9	Very high	97.4	Very high	85 Å²	85	45 Å²	45	45%	0.445	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.2	177.1	-168.4	67.4	0	0	0	110.4	L354 V355 Y356	L354-L402 HydrophobicContact CB-CD1 4.03Å; L354-L402 HydrophobicContact CD1-CD1 4.29Å; V355-L402 WeakPolarHBondContact O-CA 3.4Å; Y356-L402 HydrophobicContact CD1-CD1 3.98Å; Y356-L402 HydrophobicContact CD2-CD1 4.2Å; Y356-L402 HydrophobicContact CE1-CD1 3.68Å; Y356-L402 HydrophobicContact CE2-CD1 3.89Å; Y356-L402 HydrophobicContact CG-CD1 4.22Å
403	G	97.8	Very high	97.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	166.5	172.1	0	0	0	0	0	112.3	V290 L354 V355	V290-G403 WeakPolarHBondContact O-CA 3.43Å; L354-G403 WeakPolarHBondContact CA-O 3.38Å; V355-G403 PolarHBondContact N-O 3.16Å; V355-G403 PolarHBondContact O-N 3.04Å
404	G	97.8	Very high	97.5	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98	-165.5	-176.8	0	0	0	0	0	113.7	S289 V290	S289-G404 VanDerWaalsContact OG-C 3.28Å; S289-G404 WeakPolarHBondContact OG-CA 3.35Å; V290-G404 PolarHBondContact N-O 3.23Å; V290-G404 PolarHBondContact O-N 3.45Å
405	P	98.1	Very high	97.6	Very high	25 Å²	25	41 Å²	41	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-65.9	150.1	2.1	-20.4	33	0	0	0	113.5	S289 Q352 A353 L354 L369	S289-P405 WeakPolarHBondContact CB-O 3.17Å; S289-P405 PolarHBondContact OG-O 3.15Å; Q352-P405 HydrophobicContact CB-CB 4.46Å; A353-P405 CarbonylContact O-C 3.58Å; A353-P405 WeakPolarHBondContact O-CA 3.43Å; L354-P405 HydrophobicContact CD2-CB 4.4Å; L354-P405 HydrophobicContact CD2-CG 3.97Å; L369-P405 HydrophobicContact CD1-CB 3.96Å; L369-P405 HydrophobicContact CD1-CG 3.93Å
406	F	98.4	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.3	174.9	65.2	-90.3	0	0	0	110.3	M300 R303 I304 Q352 A353 V355 V366 A408 L453	M300-F406 HydrophobicContact CE-CD1 4.47Å; R303-F406 HydrophobicContact CB-CB 3.92Å; R303-F406 HydrophobicContact CB-CD2 3.8Å; R303-F406 HydrophobicContact CB-CG 4.27Å; R303-F406 HydrophobicContact CG-CD2 4.32Å; I304-F406 HydrophobicContact CG1-CB 4.31Å; Q352-F406 CarbonylContact C-O 3.54Å; Q352-F406 WeakPolarHBondContact CA-O 3.37Å; Q352-F406 PolarHBondContact OE1-O 3.34Å; A353-F406 HydrophobicContact CB-CE1 4.42Å; A353-F406 HydrophobicContact CB-CE2 4.43Å; A353-F406 HydrophobicContact CB-CZ 4.17Å; A353-F406 PolarHBondContact N-O 2.61Å; A353-F406 VanDerWaalsContact O-CD1 3.24Å; A353-F406 WeakPolarHBondContact O-CD1 3.36Å; A353-F406 WeakPolarHBondContact O-CE1 3.32Å; A353-F406 PolarHBondContact O-N 2.83Å; V355-F406 HydrophobicContact CB-CE1 3.63Å; V355-F406 HydrophobicContact CB-CZ 4.17Å; V355-F406 HydrophobicContact CG1-CD1 4.39Å; V355-F406 HydrophobicContact CG1-CE1 3.78Å; V366-F406 HydrophobicContact CG1-CE2 4.5Å; V366-F406 HydrophobicContact CG1-CZ 3.91Å; V366-F406 HydrophobicContact CG2-CZ 4.08Å; F406-A408 HydrophobicContact CE2-CB 4.32Å; F406-A408 PolarHBondContact O-N 3.02Å; F406-L453 HydrophobicContact CZ-CD1 4.17Å
407	W	98.6	Very high	97.7	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	119	177.7	-178.4	-87.6	0	0	0	111.6	R303 L306 D310 I320 P322 K351 E409 A410	R303-W407 HydrophobicContact CB-CB 4.21Å; R303-W407 WeakPolarHBondContact CB-O 3.48Å; R303-W407 VanDerWaalsContact CD-O 3.23Å; R303-W407 WeakPolarHBondContact CD-O 3.47Å; R303-W407 WeakPolarHBondContact CG-O 3.28Å; R303-W407 PolarHBondContact NH1-O 2.58Å; R303-W407 VanDerWaalsContact O-CB 3.24Å; R303-W407 WeakPolarHBondContact O-CB 3.04Å; R303-W407 PolarHBondContact O-N 2.84Å; L306-W407 HydrophobicContact CB-CB 3.65Å; L306-W407 HydrophobicContact CB-CD2 4.07Å; L306-W407 HydrophobicContact CB-CE3 4.4Å; L306-W407 HydrophobicContact CB-CG 3.76Å; L306-W407 HydrophobicContact CD1-CB 4.48Å; L306-W407 HydrophobicContact CD1-CG 4.11Å; D310-W407 HydrophobicContact CB-CE3 4.05Å; D310-W407 HydrophobicContact CB-CZ3 3.68Å; I320-W407 HydrophobicContact CD1-CE3 4.35Å; I320-W407 HydrophobicContact CD1-CH2 4.28Å; I320-W407 HydrophobicContact CD1-CZ3 3.98Å; I320-W407 HydrophobicContact CG1-CH2 3.93Å; I320-W407 HydrophobicContact CG1-CZ3 3.92Å; P322-W407 HydrophobicContact CG-CH2 4.41Å; P322-W407 HydrophobicContact CG-CZ2 3.7Å; K351-W407 HydrophobicContact CB-CE3 4.38Å; K351-W407 HydrophobicContact CB-CH2 4.48Å; K351-W407 HydrophobicContact CB-CZ3 4.19Å; K351-W407 HydrophobicContact CD-CH2 3.53Å; K351-W407 HydrophobicContact CD-CZ2 4.22Å; K351-W407 HydrophobicContact CD-CZ3 3.81Å; W407-E409 VanDerWaalsContact CD1-O 3.27Å; W407-E409 HydrophobicContact CZ2-CB 3.92Å; W407-E409 HydrophobicContact CZ2-CG 4.46Å; W407-E409 PolarHBondContact NE1-O 3.34Å; W407-A410 PolarHBondContact NE1-O 3.19Å
408	A	97.5	Very high	97.7	Very high	1 Å²	1	43 Å²	43	1%	0.008	21%	0.21	C	C	.	.			trans	-107.3	-1.2	-174.8	0	0	0	0	0	114.4	K351 A353 R368 F406	K351-A408 PolarHBondContact O-N 2.69Å; A353-A408 HydrophobicContact CB-CB 3.52Å; R368-A408 PolarHBondContact NH2-O 2.99Å; F406-A408 HydrophobicContact CE2-CB 4.32Å; F406-A408 PolarHBondContact O-N 3.02Å
409	E	96.6	Very high	97.7	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	21%	0.211	S	C	.	.	S	Bend	trans	-81.6	179.9	169.7	-64.5	-58.1	133	0	0	112.1	R303 K351 R368 W407	R303-E409 PolarHBondContact NH1-O 3.31Å; K351-E409 HydrophobicContact CB-CG 3.81Å; K351-E409 HydrophobicContact CD-CG 4.27Å; K351-E409 HydrophobicContact CG-CG 3.69Å; R368-E409 IonicContact CZ-OE1 3.24Å; R368-E409 IonicContact NH1-OE1 3.74Å; R368-E409 PolarHBondContact NH1-OE1 3.42Å; R368-E409 IonicContact NH2-OE1 2.71Å; R368-E409 PolarHBondContact NH2-OE1 3.06Å; W407-E409 VanDerWaalsContact CD1-O 3.27Å; W407-E409 HydrophobicContact CZ2-CB 3.92Å; W407-E409 HydrophobicContact CZ2-CG 4.46Å; W407-E409 PolarHBondContact NE1-O 3.34Å
410	A	97.7	Very high	97.8	Very high	29 Å²	29	34.9 Å²	34.9	24%	0.24	18%	0.179	C	C	.	.			trans	-50.9	140.8	168.5	0	0	0	0	0	111.2	W407 E449	W407-A410 PolarHBondContact NE1-O 3.19Å; A410-E449 HydrophobicContact CB-CB 4.23Å
411	I	98.3	Very high	97.7	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	18%	0.177	C	C	.	.	S	Bend	trans	-110.1	5.9	-178.4	60.9	166.8	0	0	0	112.1	L302 R303 L306 S325	L302-I411 HydrophobicContact CD1-CD1 4.31Å; R303-I411 HydrophobicContact CG-CG2 4.15Å; L306-I411 HydrophobicContact CD1-CB 3.83Å; L306-I411 HydrophobicContact CD1-CG2 3.49Å; L306-I411 VanDerWaalsContact CD1-CG2 3.49Å; S325-I411 WeakPolarHBondContact CB-O 3.33Å; S325-I411 PolarHBondContact OG-O 2.83Å
412	H	98.2	Very high	97.7	Very high	13 Å²	13	35.5 Å²	35.5	6%	0.06	18%	0.182	C	C	.	.			trans	-138.6	153.6	-178.7	-51.7	-40.6	0	0	0	109.5	L323 S325 L414 V417 V444 H489	L323-H412 CarbonylContact O-C 3.53Å; L323-H412 WeakPolarHBondContact O-CA 3.28Å; S325-H412 PolarHBondContact N-ND1 3.04Å; S325-H412 PolarHBondContact O-CE1 2.78Å; H412-L414 HydrophobicContact CB-CD2 4.32Å; H412-V417 HydrophobicContact CB-CG2 4.47Å; H412-V444 HydrophobicContact CB-CG1 4.3Å; H412-V444 VanDerWaalsContact CD2-CG1 3.42Å; H412-V444 WeakPolarHBondContact CD2-CG1 3.36Å; H412-H489 AromaticContact NE2-CE1 3.92Å
413	D	98.2	Very high	97.6	Very high	40 Å²	40	31.5 Å²	31.5	21%	0.214	16%	0.161	C	C	.	.			trans	-108.5	103.4	163.9	-178.5	-49.4	0	0	0	105.8	Q321 L323 D415 F416 V417	Q321-D413 PolarHBondContact NE2-OD2 2.85Å; L323-D413 HydrophobicContact CD2-CB 3.94Å; L323-D413 PolarHBondContact O-N 3.46Å; D413-D415 VanDerWaalsContact C-N 3.29Å; D413-D415 PolarHBondContact O-N 3.01Å; D413-D415 PolarHBondContact OD1-N 3.37Å; D413-F416 HydrophobicContact CB-CB 3.98Å; D413-F416 PolarHBondContact O-N 3.09Å; D413-F416 WeakPolarHBondContact OD1-CB 3.27Å; D413-F416 PolarHBondContact OD1-N 3.29Å; D413-V417 VanDerWaalsContact O-CG2 3.32Å; D413-V417 WeakPolarHBondContact O-CG2 3.48Å; D413-V417 PolarHBondContact O-N 3.21Å
414	L	97.4	Very high	97.4	Very high	42 Å²	42	31.5 Å²	31.5	22%	0.22	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-34.7	-168.4	-67.1	-176.9	0	0	0	112.4	H412 V417 Q418	H412-L414 HydrophobicContact CB-CD2 4.32Å; L414-V417 PolarHBondContact O-N 3.39Å; L414-Q418 WeakPolarHBondContact O-CB 3.2Å; L414-Q418 VanDerWaalsContact O-CG 3.25Å; L414-Q418 WeakPolarHBondContact O-CG 3.27Å; L414-Q418 PolarHBondContact O-N 2.96Å
415	D	97.7	Very high	97.2	Very high	114 Å²	114	33.6 Å²	33.6	61%	0.61	18%	0.175	S	C	*	.	H	α-helix	trans	-64.7	-45.6	176.8	-63.1	-23.6	0	0	0	110.3	D413 V417 Q418 K419	D413-D415 VanDerWaalsContact C-N 3.29Å; D413-D415 PolarHBondContact O-N 3.01Å; D413-D415 PolarHBondContact OD1-N 3.37Å; D415-V417 PolarHBondContact O-N 3.48Å; D415-Q418 PolarHBondContact O-N 3.48Å; D415-K419 WeakPolarHBondContact O-CG 3.21Å; D415-K419 PolarHBondContact O-N 3.01Å; D415-K419 VanDerWaalsContact O-N 3.08Å
416	F	98.4	Very high	97	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-43.2	174.8	-175	-92.9	0	0	0	111.9	V103 E106 F107 L323 D413 Q418 K419 V420	V103-F416 HydrophobicContact CG1-CE1 3.92Å; V103-F416 HydrophobicContact CG1-CZ 4Å; V103-F416 HydrophobicContact CG2-CE1 4.49Å; E106-F416 HydrophobicContact CB-CE2 3.89Å; E106-F416 HydrophobicContact CB-CZ 3.92Å; F107-F416 HydrophobicContact CB-CE2 4.47Å; F107-F416 HydrophobicContact CB-CZ 4.43Å; L323-F416 HydrophobicContact CB-CD1 3.86Å; L323-F416 HydrophobicContact CB-CE1 4.19Å; L323-F416 HydrophobicContact CB-CG 4.42Å; L323-F416 HydrophobicContact CD1-CD1 4.04Å; L323-F416 HydrophobicContact CD1-CD2 4.28Å; L323-F416 HydrophobicContact CD1-CE1 3.86Å; L323-F416 HydrophobicContact CD1-CE2 4.12Å; L323-F416 HydrophobicContact CD1-CG 4.24Å; L323-F416 HydrophobicContact CD1-CZ 3.91Å; L323-F416 HydrophobicContact CD2-CB 4.46Å; L323-F416 HydrophobicContact CD2-CG 4.31Å; L323-F416 HydrophobicContact CG-CD1 4.4Å; D413-F416 HydrophobicContact CB-CB 3.98Å; D413-F416 PolarHBondContact O-N 3.09Å; D413-F416 WeakPolarHBondContact OD1-CB 3.27Å; D413-F416 PolarHBondContact OD1-N 3.29Å; F416-Q418 VanDerWaalsContact C-N 3.33Å; F416-Q418 PolarHBondContact O-N 3.2Å; F416-K419 PolarHBondContact O-N 2.9Å; F416-V420 HydrophobicContact CD1-CG2 4.09Å; F416-V420 HydrophobicContact CE1-CG2 3.66Å; F416-V420 HydrophobicContact CZ-CG2 4.07Å; F416-V420 WeakPolarHBondContact O-CG2 3.27Å; F416-V420 PolarHBondContact O-N 3.34Å; F416-V420 VanDerWaalsContact O-N 3.12Å
417	V	98.5	Very high	96.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-40	178.3	173.6	0	0	0	0	111.5	L323 L324 H412 D413 L414 D415 V420 L421 L441 V444 T445	L323-V417 WeakPolarHBondContact O-CG2 3.33Å; L324-V417 HydrophobicContact CB-CG2 4.29Å; L324-V417 HydrophobicContact CD1-CG2 3.87Å; H412-V417 HydrophobicContact CB-CG2 4.47Å; D413-V417 VanDerWaalsContact O-CG2 3.32Å; D413-V417 WeakPolarHBondContact O-CG2 3.48Å; D413-V417 PolarHBondContact O-N 3.21Å; L414-V417 PolarHBondContact O-N 3.39Å; D415-V417 PolarHBondContact O-N 3.48Å; V417-V420 PolarHBondContact O-N 2.95Å; V417-L421 WeakPolarHBondContact O-CB 3.42Å; V417-L421 PolarHBondContact O-N 3.08Å; V417-L441 HydrophobicContact CG1-CB 4.21Å; V417-L441 HydrophobicContact CG1-CD2 4.2Å; V417-V444 HydrophobicContact CG1-CG1 4.04Å; V417-V444 HydrophobicContact CG2-CG1 4.34Å; V417-T445 HydrophobicContact CG1-CG2 3.8Å
418	Q	97.7	Very high	96.3	Very high	84 Å²	84	39 Å²	39	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-44.7	175.7	-75.4	173.9	15.7	0	0	111.4	L414 D415 F416 V420 L421 E422 T445	L414-Q418 WeakPolarHBondContact O-CB 3.2Å; L414-Q418 VanDerWaalsContact O-CG 3.25Å; L414-Q418 WeakPolarHBondContact O-CG 3.27Å; L414-Q418 PolarHBondContact O-N 2.96Å; D415-Q418 PolarHBondContact O-N 3.48Å; F416-Q418 VanDerWaalsContact C-N 3.33Å; F416-Q418 PolarHBondContact O-N 3.2Å; Q418-V420 VanDerWaalsContact C-N 3.32Å; Q418-V420 PolarHBondContact O-N 2.79Å; Q418-L421 WeakPolarHBondContact O-CB 3.46Å; Q418-L421 PolarHBondContact O-N 3.37Å; Q418-E422 WeakPolarHBondContact O-CB 3.46Å; Q418-E422 WeakPolarHBondContact O-CG 3.49Å; Q418-E422 PolarHBondContact O-N 2.97Å; Q418-T445 HydrophobicContact CG-CG2 4.11Å
419	K	97.3	Very high	96.1	Very high	80 Å²	80	44 Å²	44	35%	0.348	26%	0.255	S	S	.	.	H	α-helix	trans	-56.2	-45.3	174.4	-69.2	174.1	-178.8	-179.1	0	112.2	E106 D110 D415 F416 E422 A423	E106-K419 HydrophobicContact CG-CB 4.49Å; D110-K419 IonicContact OD1-NZ 2.83Å; D110-K419 PolarHBondContact OD1-NZ 2.92Å; D110-K419 IonicContact OD2-NZ 3.16Å; D110-K419 PolarHBondContact OD2-NZ 3.44Å; D415-K419 WeakPolarHBondContact O-CG 3.21Å; D415-K419 PolarHBondContact O-N 3.01Å; D415-K419 VanDerWaalsContact O-N 3.08Å; F416-K419 PolarHBondContact O-N 2.9Å; K419-E422 PolarHBondContact O-N 3.33Å; K419-A423 WeakPolarHBondContact O-CB 3.41Å; K419-A423 PolarHBondContact O-N 3.37Å
420	V	97.9	Very high	95.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-45.6	177.5	-179.5	0	0	0	0	110.7	A102 V103 E106 F416 V417 Q418 A423 V424 L441	A102-V420 HydrophobicContact CB-CG1 3.99Å; V103-V420 HydrophobicContact CG2-CG1 4.47Å; V103-V420 HydrophobicContact CG2-CG2 4.37Å; E106-V420 HydrophobicContact CB-CG2 3.92Å; E106-V420 HydrophobicContact CG-CB 4.06Å; E106-V420 HydrophobicContact CG-CG2 3.46Å; E106-V420 VanDerWaalsContact CG-CG2 3.46Å; F416-V420 HydrophobicContact CD1-CG2 4.09Å; F416-V420 HydrophobicContact CE1-CG2 3.66Å; F416-V420 HydrophobicContact CZ-CG2 4.07Å; F416-V420 WeakPolarHBondContact O-CG2 3.27Å; F416-V420 PolarHBondContact O-N 3.34Å; F416-V420 VanDerWaalsContact O-N 3.12Å; V417-V420 PolarHBondContact O-N 2.95Å; Q418-V420 VanDerWaalsContact C-N 3.32Å; Q418-V420 PolarHBondContact O-N 2.79Å; V420-A423 PolarHBondContact O-N 3.03Å; V420-V424 WeakPolarHBondContact O-CG2 3.39Å; V420-V424 PolarHBondContact O-N 3.03Å; V420-L441 HydrophobicContact CB-CD1 4.1Å; V420-L441 HydrophobicContact CG1-CD1 3.65Å
421	L	96.9	Very high	95.7	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-49.2	178.2	175.7	57.8	0	0	0	111.1	V417 Q418 A423 V424 S425 E438 L441 T445	V417-L421 WeakPolarHBondContact O-CB 3.42Å; V417-L421 PolarHBondContact O-N 3.08Å; Q418-L421 WeakPolarHBondContact O-CB 3.46Å; Q418-L421 PolarHBondContact O-N 3.37Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 2.79Å; L421-V424 PolarHBondContact O-N 2.96Å; L421-S425 VanDerWaalsContact O-CB 3.31Å; L421-S425 WeakPolarHBondContact O-CB 3.47Å; L421-S425 PolarHBondContact O-N 2.81Å; L421-S425 PolarHBondContact O-OG 2.85Å; L421-E438 HydrophobicContact CD1-CB 4.26Å; L421-E438 HydrophobicContact CD1-CG 3.87Å; L421-L441 HydrophobicContact CB-CB 4.29Å; L421-L441 HydrophobicContact CB-CD1 4.31Å; L421-L441 HydrophobicContact CD1-CB 4.19Å; L421-T445 HydrophobicContact CD2-CG2 4.47Å
422	E	95.7	Very high	95.5	Very high	111 Å²	111	44.4 Å²	44.4	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-38.8	177.8	-73.2	176.2	-178.9	0	0	112.7	R127 Q418 K419 G426	R127-E422 VanDerWaalsContact NH2-C 3.32Å; R127-E422 PolarHBondContact NH2-O 3.19Å; Q418-E422 WeakPolarHBondContact O-CB 3.46Å; Q418-E422 WeakPolarHBondContact O-CG 3.49Å; Q418-E422 PolarHBondContact O-N 2.97Å; K419-E422 PolarHBondContact O-N 3.33Å; E422-G426 PolarHBondContact O-N 3.18Å
423	A	94.4	Very high	95.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-45.4	176.7	0	0	0	0	0	111.6	E106 K419 V420 L421 N427	E106-A423 WeakPolarHBondContact OE1-CB 3.29Å; K419-A423 WeakPolarHBondContact O-CB 3.41Å; K419-A423 PolarHBondContact O-N 3.37Å; V420-A423 PolarHBondContact O-N 3.03Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 2.79Å; A423-N427 PolarHBondContact O-N 2.9Å
424	V	95	Very high	95.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-44.1	179.3	175.1	0	0	0	0	111.5	A102 V420 L421 G426 N427 F431 I437	A102-V424 HydrophobicContact CB-CG2 3.89Å; V420-V424 WeakPolarHBondContact O-CG2 3.39Å; V420-V424 PolarHBondContact O-N 3.03Å; L421-V424 PolarHBondContact O-N 2.96Å; V424-G426 VanDerWaalsContact C-N 3.31Å; V424-G426 PolarHBondContact O-N 2.8Å; V424-N427 CarbonylContact O-C 3.56Å; V424-N427 PolarHBondContact O-N 2.81Å; V424-F431 HydrophobicContact CG2-CD2 4.46Å; V424-F431 HydrophobicContact CG2-CE2 4.4Å; V424-I437 HydrophobicContact CB-CG2 4.38Å; V424-I437 HydrophobicContact CG1-CB 4.19Å; V424-I437 HydrophobicContact CG1-CG2 4.08Å; V424-I437 HydrophobicContact CG2-CG2 4.09Å
425	S	93.3	Very high	95.1	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-33.5	176.6	-69.5	0	0	0	0	112.5	L421 N427	L421-S425 VanDerWaalsContact O-CB 3.31Å; L421-S425 WeakPolarHBondContact O-CB 3.47Å; L421-S425 PolarHBondContact O-N 2.81Å; L421-S425 PolarHBondContact O-OG 2.85Å; S425-N427 VanDerWaalsContact C-N 3.27Å; S425-N427 PolarHBondContact O-N 3.11Å
426	G	93.1	Very high	95	Very high	50 Å²	50	43.8 Å²	43.8	52%	0.515	26%	0.257	S	S	.	.	H	α-helix	trans	-73.1	-15.5	176.1	0	0	0	0	0	114.4	E422 V424	E422-G426 PolarHBondContact O-N 3.18Å; V424-G426 VanDerWaalsContact C-N 3.31Å; V424-G426 PolarHBondContact O-N 2.8Å
427	N	92.9	Very high	94.9	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.043	26%	0.255	C	S	.	.			trans	-142	68.9	179.7	-171	-5.7	0	0	0	110.9	P122 E124 A423 V424 S425 S429 R430	P122-N427 PolarHBondContact O-ND2 2.83Å; E124-N427 HydrophobicContact CG-CB 3.95Å; A423-N427 PolarHBondContact O-N 2.9Å; V424-N427 CarbonylContact O-C 3.56Å; V424-N427 PolarHBondContact O-N 2.81Å; S425-N427 VanDerWaalsContact C-N 3.27Å; S425-N427 PolarHBondContact O-N 3.11Å; N427-S429 PolarHBondContact O-N 2.85Å; N427-S429 PolarHBondContact OD1-OG 3.49Å; N427-R430 HydrophobicContact CB-CB 4.35Å; N427-R430 WeakPolarHBondContact O-CB 3.41Å; N427-R430 PolarHBondContact O-N 2.63Å
428	P	90.4	Very high	94.8	Very high	86 Å²	86	45.1 Å²	45.1	56%	0.558	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.9	-168.9	26.6	-35	0	0	0	113.4	R430 S434	P428-R430 VanDerWaalsContact C-N 3.28Å; P428-R430 PolarHBondContact O-N 2.93Å; P428-S434 WeakPolarHBondContact O-CB 3.4Å; P428-S434 PolarHBondContact O-OG 2.86Å
429	S	91.6	Very high	94.8	Very high	107 Å²	107	41.1 Å²	41.1	75%	0.748	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-6.4	176.4	48.5	0	0	0	0	114	N427 F431	N427-S429 PolarHBondContact O-N 2.85Å; N427-S429 PolarHBondContact OD1-OG 3.49Å; S429-F431 VanDerWaalsContact C-N 3.35Å; S429-F431 PolarHBondContact O-N 2.92Å
430	R	91.6	Very high	94.7	Very high	38 Å²	38	37.6 Å²	37.6	14%	0.143	23%	0.229	C	C	.	.	S	Bend	trans	-64.3	-38.2	-176	-172.8	175.5	175	-163.4	-4	113.1	T105 E124 E183 N427 P428	T105-R430 PolarHBondContact OG1-NH2 2.77Å; E124-R430 IonicContact OE1-NH1 2.63Å; E183-R430 PolarHBondContact O-NH2 3.47Å; N427-R430 HydrophobicContact CB-CB 4.35Å; N427-R430 WeakPolarHBondContact O-CB 3.41Å; N427-R430 PolarHBondContact O-N 2.63Å; P428-R430 VanDerWaalsContact C-N 3.28Å; P428-R430 PolarHBondContact O-N 2.93Å
431	F	95.2	Very high	94.7	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.048	23%	0.229	C	C	.	.			trans	-128.8	147.9	-174.8	-60.4	-61.2	0	0	0	111.8	D98 C101 A102 V424 S429 T433 S434 I437	D98-F431 HydrophobicContact CB-CB 4.03Å; D98-F431 HydrophobicContact CB-CD1 4.08Å; D98-F431 HydrophobicContact CB-CG 4.07Å; C101-F431 HydrophobicContact CB-CE1 3.66Å; C101-F431 HydrophobicContact CB-CZ 3.78Å; A102-F431 HydrophobicContact CB-CE2 3.82Å; A102-F431 HydrophobicContact CB-CZ 4.26Å; V424-F431 HydrophobicContact CG2-CD2 4.46Å; V424-F431 HydrophobicContact CG2-CE2 4.4Å; S429-F431 VanDerWaalsContact C-N 3.35Å; S429-F431 PolarHBondContact O-N 2.92Å; F431-T433 PolarHBondContact O-N 2.87Å; F431-S434 PolarHBondContact N-OG 3.44Å; F431-S434 PolarHBondContact O-N 2.85Å; F431-S434 PolarHBondContact O-OG 3.19Å; F431-I437 HydrophobicContact CD2-CD1 4.43Å
432	G	93.6	Very high	94.8	Very high	64 Å²	64	36.9 Å²	36.9	66%	0.66	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.4	175.5	0	0	0	0	0	112.1	D98	D98-G432 PolarHBondContact OD2-N 2.89Å
433	T	95	Very high	94.8	Very high	15 Å²	15	31.8 Å²	31.8	9%	0.092	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	17	-178.4	69.8	0	0	0	0	114.7	E94 F95 D98 F431 K435 R436 I437	E94-T433 HydrophobicContact CB-CG2 4.43Å; E94-T433 HydrophobicContact CG-CG2 4Å; F95-T433 HydrophobicContact CB-CG2 4.19Å; D98-T433 VanDerWaalsContact CB-OG1 3.27Å; D98-T433 WeakPolarHBondContact CB-OG1 2.99Å; D98-T433 VanDerWaalsContact CG-OG1 3.29Å; D98-T433 VanDerWaalsContact OD2-CB 3.29Å; D98-T433 WeakPolarHBondContact OD2-CB 3.22Å; D98-T433 WeakPolarHBondContact OD2-CG2 3.47Å; D98-T433 PolarHBondContact OD2-N 3.13Å; D98-T433 PolarHBondContact OD2-OG1 2.94Å; F431-T433 PolarHBondContact O-N 2.87Å; T433-K435 VanDerWaalsContact C-N 3.29Å; T433-K435 PolarHBondContact O-N 2.91Å; T433-K435 VanDerWaalsContact O-N 3.12Å; T433-R436 WeakPolarHBondContact O-CA 3.33Å; T433-R436 WeakPolarHBondContact O-CB 3.28Å; T433-R436 PolarHBondContact O-N 3.13Å; T433-I437 PolarHBondContact O-N 3.14Å
434	S	95.6	Very high	94.9	Very high	7 Å²	7	31.7 Å²	31.7	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-48.7	-44.4	-177.8	-60.4	0	0	0	0	113.9	P428 F431 R436 I437 E438	P428-S434 WeakPolarHBondContact O-CB 3.4Å; P428-S434 PolarHBondContact O-OG 2.86Å; F431-S434 PolarHBondContact N-OG 3.44Å; F431-S434 PolarHBondContact O-N 2.85Å; F431-S434 PolarHBondContact O-OG 3.19Å; S434-R436 VanDerWaalsContact C-N 3.31Å; S434-R436 PolarHBondContact O-N 3.04Å; S434-I437 PolarHBondContact O-N 3.1Å; S434-E438 WeakPolarHBondContact O-CB 3.45Å; S434-E438 PolarHBondContact O-N 3.21Å
435	K	95.2	Very high	95.1	Very high	163 Å²	163	33.6 Å²	33.6	71%	0.709	21%	0.214	S	C	*	.	H	α-helix	trans	-62.4	-36	178	-68	-176.3	178.5	179.3	0	113.1	T433 G439	T433-K435 VanDerWaalsContact C-N 3.29Å; T433-K435 PolarHBondContact O-N 2.91Å; T433-K435 VanDerWaalsContact O-N 3.12Å; K435-G439 PolarHBondContact O-N 3.06Å
436	R	95.3	Very high	95.2	Very high	11 Å²	11	34 Å²	34	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-72.6	-40.3	176.4	-177.3	179.8	176.1	178.4	-3.4	110.7	F95 D329 T433 S434 G439 M440	F95-R436 HydrophobicContact CD2-CB 4.17Å; F95-R436 HydrophobicContact CD2-CG 3.7Å; F95-R436 HydrophobicContact CE2-CB 4.34Å; F95-R436 HydrophobicContact CE2-CG 3.75Å; F95-R436 HydrophobicContact CG-CG 4.35Å; F95-R436 HydrophobicContact CZ-CG 4.45Å; D329-R436 IonicContact OD1-CZ 2.61Å; D329-R436 IonicContact OD1-NH1 3.59Å; D329-R436 IonicContact OD1-NH2 3.93Å; D329-R436 PolarHBondContact OD1-NH2 3.44Å; D329-R436 IonicContact OD2-CZ 3.4Å; D329-R436 IonicContact OD2-NH1 3.21Å; D329-R436 PolarHBondContact OD2-NH1 3.26Å; D329-R436 IonicContact OD2-NH2 3.88Å; D329-R436 PolarHBondContact OD2-NH2 3.13Å; T433-R436 WeakPolarHBondContact O-CA 3.33Å; T433-R436 WeakPolarHBondContact O-CB 3.28Å; T433-R436 PolarHBondContact O-N 3.13Å; S434-R436 VanDerWaalsContact C-N 3.31Å; S434-R436 PolarHBondContact O-N 3.04Å; R436-G439 PolarHBondContact O-N 3.02Å; R436-M440 VanDerWaalsContact O-CB 3.25Å; R436-M440 WeakPolarHBondContact O-CB 3.18Å; R436-M440 PolarHBondContact O-N 3.23Å
437	I	97	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-50.3	173.8	-64	169	0	0	0	109.9	F95 D98 L99 V424 F431 T433 S434 G439 M440 L441	F95-I437 HydrophobicContact CD2-CG1 3.89Å; F95-I437 HydrophobicContact CE2-CB 4.38Å; F95-I437 HydrophobicContact CE2-CG1 3.59Å; D98-I437 HydrophobicContact CB-CD1 3.77Å; L99-I437 HydrophobicContact CD1-CG2 4.12Å; V424-I437 HydrophobicContact CB-CG2 4.38Å; V424-I437 HydrophobicContact CG1-CB 4.19Å; V424-I437 HydrophobicContact CG1-CG2 4.08Å; V424-I437 HydrophobicContact CG2-CG2 4.09Å; F431-I437 HydrophobicContact CD2-CD1 4.43Å; T433-I437 PolarHBondContact O-N 3.14Å; S434-I437 PolarHBondContact O-N 3.1Å; I437-G439 PolarHBondContact O-N 3.49Å; I437-M440 PolarHBondContact O-N 2.91Å; I437-L441 HydrophobicContact CG2-CD1 3.66Å; I437-L441 HydrophobicContact CG2-CG 4Å; I437-L441 WeakPolarHBondContact O-CB 3.22Å; I437-L441 WeakPolarHBondContact O-CG 3.33Å; I437-L441 PolarHBondContact O-N 2.89Å
438	E	96.9	Very high	95.5	Very high	37 Å²	37	33.2 Å²	33.2	17%	0.173	19%	0.193	C	C	.	.	H	α-helix	trans	-55.4	-49.8	177.4	-175.5	-176.5	-176.7	0	0	111.3	L421 S434 M440 S442 R555 L557	L421-E438 HydrophobicContact CD1-CB 4.26Å; L421-E438 HydrophobicContact CD1-CG 3.87Å; S434-E438 WeakPolarHBondContact O-CB 3.45Å; S434-E438 PolarHBondContact O-N 3.21Å; E438-M440 PolarHBondContact O-N 3.39Å; E438-S442 WeakPolarHBondContact O-CB 3.24Å; E438-S442 PolarHBondContact O-N 3.32Å; E438-S442 PolarHBondContact O-OG 3.21Å; E438-R555 IonicContact OE1-CZ 2.8Å; E438-R555 IonicContact OE1-NH2 3.21Å; E438-R555 PolarHBondContact OE1-NH2 3.06Å; E438-L557 HydrophobicContact CG-CD1 4.34Å
439	G	96.3	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-38	179.7	0	0	0	0	0	114	K435 R436 I437 M443	K435-G439 PolarHBondContact O-N 3.06Å; R436-G439 PolarHBondContact O-N 3.02Å; I437-G439 PolarHBondContact O-N 3.49Å; G439-M443 WeakPolarHBondContact O-CG 3.46Å; G439-M443 PolarHBondContact O-N 2.88Å
440	M	96.7	Very high	95.9	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.034	17%	0.173	C	C	.	.	H	α-helix	trans	-70.1	-49.9	177.8	-172.3	69.8	68.1	0	0	111.7	F95 I326 R436 I437 E438 S442 M443 V444 H489	F95-M440 HydrophobicContact CZ-CB 4.19Å; F95-M440 HydrophobicContact CZ-CE 4.42Å; F95-M440 HydrophobicContact CZ-CG 4.14Å; I326-M440 HydrophobicContact CD1-CG 3.75Å; I326-M440 HydrophobicContact CD1-SD 4.47Å; I326-M440 HydrophobicContact CG2-CG 4.27Å; I326-M440 HydrophobicContact CG2-SD 4.37Å; R436-M440 VanDerWaalsContact O-CB 3.25Å; R436-M440 WeakPolarHBondContact O-CB 3.18Å; R436-M440 PolarHBondContact O-N 3.23Å; I437-M440 PolarHBondContact O-N 2.91Å; E438-M440 PolarHBondContact O-N 3.39Å; M440-S442 VanDerWaalsContact C-N 3.32Å; M440-S442 PolarHBondContact O-N 3.03Å; M440-M443 HydrophobicContact CE-CE 4.48Å; M440-M443 WeakPolarHBondContact O-CB 3.31Å; M440-M443 PolarHBondContact O-N 3.42Å; M440-M443 VanDerWaalsContact O-N 3.16Å; M440-M443 HydrophobicContact SD-CE 3.63Å; M440-V444 PolarHBondContact O-N 3.28Å; M440-V444 VanDerWaalsContact O-N 3.1Å; M440-H489 HydrophobicContact SD-CB 3.86Å
441	L	97.9	Very high	96.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-34.1	-179.2	-62.8	-172.5	0	0	0	111.7	L99 L324 V417 V420 L421 I437 M443 V444 T445	L99-L441 HydrophobicContact CD1-CD1 4.5Å; L99-L441 HydrophobicContact CD1-CD2 4.35Å; L324-L441 HydrophobicContact CD1-CD2 3.86Å; L324-L441 HydrophobicContact CD2-CD2 3.76Å; L324-L441 HydrophobicContact CG-CD2 4.48Å; V417-L441 HydrophobicContact CG1-CB 4.21Å; V417-L441 HydrophobicContact CG1-CD2 4.2Å; V420-L441 HydrophobicContact CB-CD1 4.1Å; V420-L441 HydrophobicContact CG1-CD1 3.65Å; L421-L441 HydrophobicContact CB-CB 4.29Å; L421-L441 HydrophobicContact CB-CD1 4.31Å; L421-L441 HydrophobicContact CD1-CB 4.19Å; I437-L441 HydrophobicContact CG2-CD1 3.66Å; I437-L441 HydrophobicContact CG2-CG 4Å; I437-L441 WeakPolarHBondContact O-CB 3.22Å; I437-L441 WeakPolarHBondContact O-CG 3.33Å; I437-L441 PolarHBondContact O-N 2.89Å; L441-M443 VanDerWaalsContact C-N 3.28Å; L441-M443 PolarHBondContact O-N 3.05Å; L441-V444 WeakPolarHBondContact O-CB 3.28Å; L441-V444 PolarHBondContact O-N 3.26Å; L441-V444 VanDerWaalsContact O-N 3.13Å; L441-T445 WeakPolarHBondContact O-CG2 3.34Å; L441-T445 PolarHBondContact O-N 3.29Å; L441-T445 PolarHBondContact O-OG1 2.98Å
442	S	97.4	Very high	96.2	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-35.8	172.7	-60.5	0	0	0	0	112.3	E438 M440 T445 E446 L557	E438-S442 WeakPolarHBondContact O-CB 3.24Å; E438-S442 PolarHBondContact O-N 3.32Å; E438-S442 PolarHBondContact O-OG 3.21Å; M440-S442 VanDerWaalsContact C-N 3.32Å; M440-S442 PolarHBondContact O-N 3.03Å; S442-T445 WeakPolarHBondContact CA-OG1 3.27Å; S442-T445 PolarHBondContact O-OG1 2.76Å; S442-E446 WeakPolarHBondContact O-CG 3.07Å; S442-E446 PolarHBondContact O-N 3.05Å; S442-L557 WeakPolarHBondContact OG-CD1 3.41Å
443	M	96.3	Very high	96.4	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-44.7	172.3	-71.5	-169.5	-66.7	0	0	111.4	G439 M440 L441 T445 E446 E447 H489 R559 F560	G439-M443 WeakPolarHBondContact O-CG 3.46Å; G439-M443 PolarHBondContact O-N 2.88Å; M440-M443 HydrophobicContact CE-CE 4.48Å; M440-M443 WeakPolarHBondContact O-CB 3.31Å; M440-M443 PolarHBondContact O-N 3.42Å; M440-M443 VanDerWaalsContact O-N 3.16Å; M440-M443 HydrophobicContact SD-CE 3.63Å; L441-M443 VanDerWaalsContact C-N 3.28Å; L441-M443 PolarHBondContact O-N 3.05Å; M443-T445 VanDerWaalsContact C-N 3.29Å; M443-T445 PolarHBondContact O-N 3.22Å; M443-E446 WeakPolarHBondContact O-CB 3.47Å; M443-E446 PolarHBondContact O-N 3.19Å; M443-E447 VanDerWaalsContact O-CG 3.32Å; M443-E447 WeakPolarHBondContact O-CG 3.47Å; M443-E447 PolarHBondContact O-N 2.91Å; M443-H489 HydrophobicContact CB-CB 4.06Å; M443-H489 HydrophobicContact CE-CB 3.76Å; M443-H489 HydrophobicContact SD-CB 4.42Å; M443-R559 HydrophobicContact CE-CB 3.96Å; M443-R559 WeakPolarHBondContact CE-O 3.3Å; M443-R559 HydrophobicContact CG-CB 4.14Å; M443-R559 HydrophobicContact CG-CG 3.76Å; M443-R559 VanDerWaalsContact CG-NE 3.27Å; M443-R559 HydrophobicContact SD-CB 3.55Å; M443-R559 VanDerWaalsContact SD-CB 3.55Å; M443-R559 HydrophobicContact SD-CG 3.85Å; M443-R559 PolarHBondContact SD-NE 3.2Å; M443-F560 HydrophobicContact CE-CE1 4.38Å; M443-F560 HydrophobicContact CE-CE2 4.29Å; M443-F560 HydrophobicContact CE-CZ 4.1Å; M443-F560 HydrophobicContact SD-CD2 4.39Å; M443-F560 HydrophobicContact SD-CE2 3.63Å; M443-F560 HydrophobicContact SD-CZ 3.73Å
444	V	97.6	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-44.6	179	166.7	0	0	0	0	111	L324 I326 H412 V417 M440 L441 E446 E447 H489	L324-V444 HydrophobicContact CD1-CG1 4.14Å; L324-V444 HydrophobicContact CD1-CG2 4.39Å; I326-V444 HydrophobicContact CD1-CG2 3.73Å; H412-V444 HydrophobicContact CB-CG1 4.3Å; H412-V444 VanDerWaalsContact CD2-CG1 3.42Å; H412-V444 WeakPolarHBondContact CD2-CG1 3.36Å; V417-V444 HydrophobicContact CG1-CG1 4.04Å; V417-V444 HydrophobicContact CG2-CG1 4.34Å; M440-V444 PolarHBondContact O-N 3.28Å; M440-V444 VanDerWaalsContact O-N 3.1Å; L441-V444 WeakPolarHBondContact O-CB 3.28Å; L441-V444 PolarHBondContact O-N 3.26Å; L441-V444 VanDerWaalsContact O-N 3.13Å; V444-E446 PolarHBondContact O-N 2.76Å; V444-E447 PolarHBondContact O-N 3.36Å; V444-H489 HydrophobicContact CG2-CB 4.26Å
445	T	97.2	Very high	96.6	Very high	42 Å²	42	28.9 Å²	28.9	26%	0.258	14%	0.142	S	C	.	.	H	α-helix	trans	-68.3	-17.8	177.5	53.9	0	0	0	0	114.1	V417 Q418 L421 L441 S442 M443	V417-T445 HydrophobicContact CG1-CG2 3.8Å; Q418-T445 HydrophobicContact CG-CG2 4.11Å; L421-T445 HydrophobicContact CD2-CG2 4.47Å; L441-T445 WeakPolarHBondContact O-CG2 3.34Å; L441-T445 PolarHBondContact O-N 3.29Å; L441-T445 PolarHBondContact O-OG1 2.98Å; S442-T445 WeakPolarHBondContact CA-OG1 3.27Å; S442-T445 PolarHBondContact O-OG1 2.76Å; M443-T445 VanDerWaalsContact C-N 3.29Å; M443-T445 PolarHBondContact O-N 3.22Å
446	E	96.1	Very high	96.8	Very high	56 Å²	56	21.3 Å²	21.3	26%	0.262	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.7	177.4	-69.7	169	165.8	0	0	112.6	S442 M443 V444 S486 P550 Q551 S552	S442-E446 WeakPolarHBondContact O-CG 3.07Å; S442-E446 PolarHBondContact O-N 3.05Å; M443-E446 WeakPolarHBondContact O-CB 3.47Å; M443-E446 PolarHBondContact O-N 3.19Å; V444-E446 PolarHBondContact O-N 2.76Å; E446-S486 WeakPolarHBondContact O-CB 3.41Å; E446-P550 HydrophobicContact CG-CB 4.48Å; E446-P550 WeakPolarHBondContact OE2-CB 3.27Å; E446-Q551 PolarHBondContact OE1-N 3.16Å; E446-Q551 VanDerWaalsContact OE1-N 3.08Å; E446-S552 VanDerWaalsContact CD-OG 3.29Å; E446-S552 VanDerWaalsContact OE1-CB 3.3Å; E446-S552 WeakPolarHBondContact OE1-CB 3.36Å; E446-S552 PolarHBondContact OE1-N 2.94Å; E446-S552 PolarHBondContact OE1-OG 3.26Å; E446-S552 WeakPolarHBondContact OE2-CB 3.44Å; E446-S552 PolarHBondContact OE2-OG 3.05Å
447	E	96.6	Very high	96.8	Very high	14 Å²	14	21 Å²	21	7%	0.065	11%	0.109	C	C	.	.	S	Bend	trans	-79.3	147.2	-178.2	-63.5	-161	-160.9	0	0	113.6	M443 V444 E449 S486 S488 H489 K496	M443-E447 VanDerWaalsContact O-CG 3.32Å; M443-E447 WeakPolarHBondContact O-CG 3.47Å; M443-E447 PolarHBondContact O-N 2.91Å; V444-E447 PolarHBondContact O-N 3.36Å; E447-E449 PolarHBondContact O-N 3.48Å; E447-S486 WeakPolarHBondContact CA-OG 3.31Å; E447-S488 VanDerWaalsContact OE1-CA 3.29Å; E447-S488 WeakPolarHBondContact OE1-CA 3.48Å; E447-S488 PolarHBondContact OE1-OG 3.34Å; E447-S488 PolarHBondContact OE2-OG 3.44Å; E447-H489 WeakPolarHBondContact OE1-CB 3.49Å; E447-H489 IonicContact OE1-CE1 3.64Å; E447-H489 IonicContact OE1-CG 2.75Å; E447-H489 PolarHBondContact OE1-N 3.45Å; E447-H489 IonicContact OE1-ND1 3.26Å; E447-H489 PolarHBondContact OE1-ND1 3.33Å; E447-H489 IonicContact OE2-ND1 2.68Å; E447-K496 WeakPolarHBondContact OE2-CE 3.4Å; E447-K496 IonicContact OE2-NZ 3.07Å; E447-K496 PolarHBondContact OE2-NZ 3.12Å
448	L	96.9	Very high	96.7	Very high	26 Å²	26	23.9 Å²	23.9	14%	0.136	12%	0.124	C	C	.	.			trans	-69.4	113.9	163.5	-61.6	177	0	0	0	109.3	V451 R484 S486	L448-V451 HydrophobicContact CB-CB 3.94Å; L448-V451 HydrophobicContact CB-CG2 3.98Å; L448-V451 HydrophobicContact CD1-CB 4.36Å; L448-V451 HydrophobicContact CD1-CG2 3.9Å; L448-R484 HydrophobicContact CD1-CB 3.92Å; L448-R484 HydrophobicContact CD2-CB 4.02Å; L448-S486 PolarHBondContact N-OG 3.37Å
449	E	94.4	Very high	96.7	Very high	91 Å²	91	23.4 Å²	23.4	43%	0.425	12%	0.122	S	C	.	.	S	Bend	trans	-75.1	-32.2	-177.9	63.5	178.7	168.7	0	0	113.2	A410 E447	A410-E449 HydrophobicContact CB-CB 4.23Å; E447-E449 PolarHBondContact O-N 3.48Å
450	D	94.3	Very high	96.8	Very high	84 Å²	84	23.4 Å²	23.4	45%	0.449	12%	0.122	S	C	.	.	S	Bend	trans	-88.8	-8	-174.4	66.2	-50	0	0	0	113.3	P452 R484	D450-P452 WeakPolarHBondContact O-CD 3.48Å; D450-R484 IonicContact OD1-CZ 3.65Å; D450-R484 IonicContact OD1-NH1 3.73Å; D450-R484 PolarHBondContact OD1-NH1 3.22Å; D450-R484 IonicContact OD1-NH2 2.81Å; D450-R484 IonicContact OD2-CZ 3.53Å; D450-R484 IonicContact OD2-NH1 3.41Å; D450-R484 PolarHBondContact OD2-NH1 2.78Å; D450-R484 IonicContact OD2-NH2 3.18Å; D450-R484 PolarHBondContact OD2-NH2 3.32Å
451	V	96.8	Very high	96.8	Very high	14 Å²	14	23.1 Å²	23.1	9%	0.085	12%	0.121	C	C	.	.	S	Bend	trans	-103.1	106.4	179.4	178.5	0	0	0	0	110	L448 K496 T497 D498	L448-V451 HydrophobicContact CB-CB 3.94Å; L448-V451 HydrophobicContact CB-CG2 3.98Å; L448-V451 HydrophobicContact CD1-CB 4.36Å; L448-V451 HydrophobicContact CD1-CG2 3.9Å; V451-K496 HydrophobicContact CG1-CB 4.38Å; V451-T497 VanDerWaalsContact CG1-O 3.25Å; V451-T497 WeakPolarHBondContact CG1-O 3.44Å; V451-D498 HydrophobicContact CG2-CB 4.19Å
452	P	96.6	Very high	96.7	Very high	25 Å²	25	26.1 Å²	26.1	16%	0.162	14%	0.142	C	C	.	.			trans	-78.9	142.4	177.3	32.2	-35	0	0	0	112.3	V366 D450	V366-P452 HydrophobicContact CG2-CG 4.19Å; D450-P452 WeakPolarHBondContact O-CD 3.48Å
453	L	97.9	Very high	96.7	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.144	C	C	.	.	S	Bend	trans	67	178.6	175.9	-45.4	175.5	0	0	0	112.2	Y296 E299 M300 V355 F364 V366 F406 K496	Y296-L453 HydrophobicContact CD1-CB 4.23Å; Y296-L453 HydrophobicContact CD2-CB 4.13Å; Y296-L453 HydrophobicContact CD2-CD1 3.75Å; Y296-L453 HydrophobicContact CD2-CD2 3.65Å; Y296-L453 HydrophobicContact CD2-CG 4.03Å; Y296-L453 HydrophobicContact CE1-CD1 4.43Å; Y296-L453 HydrophobicContact CE2-CD1 3.61Å; Y296-L453 HydrophobicContact CE2-CD2 4.27Å; Y296-L453 HydrophobicContact CE2-CG 4.4Å; Y296-L453 HydrophobicContact CG-CB 3.85Å; Y296-L453 HydrophobicContact CG-CD1 4.21Å; Y296-L453 HydrophobicContact CG-CD2 4.15Å; Y296-L453 HydrophobicContact CG-CG 4.28Å; E299-L453 HydrophobicContact CG-CD2 4.36Å; E299-L453 PolarHBondContact OE1-N 2.84Å; E299-L453 WeakPolarHBondContact OE2-CA 3.2Å; M300-L453 HydrophobicContact CB-CD2 4.3Å; V355-L453 HydrophobicContact CG2-CD1 4.15Å; F364-L453 HydrophobicContact CD2-CD1 4.03Å; F364-L453 HydrophobicContact CE2-CB 3.81Å; F364-L453 HydrophobicContact CE2-CD1 3.98Å; F364-L453 HydrophobicContact CE2-CG 4.43Å; F364-L453 HydrophobicContact CZ-CB 3.75Å; V366-L453 HydrophobicContact CG2-CD1 4.36Å; F406-L453 HydrophobicContact CZ-CD1 4.17Å; L453-K496 WeakPolarHBondContact O-CG 3.44Å
454	Y	98.1	Very high	96.7	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	14%	0.144	C	C	.	.			trans	-150.5	163.4	-175.9	57.7	-105.8	0	0	0	112.2	K295 Y296 E299 T456 A490 C491 A494 V495	K295-Y454 WeakPolarHBondContact O-CE2 3.37Å; K295-Y454 PolarHBondContact O-OH 3.22Å; Y296-Y454 VanDerWaalsContact CA-CZ 3.45Å; Y296-Y454 WeakPolarHBondContact CD1-O 3.17Å; E299-Y454 HydrophobicContact CB-CD1 4.26Å; E299-Y454 HydrophobicContact CB-CE1 3.89Å; E299-Y454 WeakPolarHBondContact OE2-CD1 3.33Å; Y454-T456 HydrophobicContact CD2-CG2 3.94Å; Y454-T456 HydrophobicContact CE2-CG2 3.73Å; Y454-A490 HydrophobicContact CE1-CB 3.88Å; Y454-C491 HydrophobicContact CE1-CB 4.29Å; Y454-C491 HydrophobicContact CE2-CB 3.76Å; Y454-C491 VanDerWaalsContact CZ-CB 3.49Å; Y454-C491 VanDerWaalsContact OH-CB 3.28Å; Y454-C491 WeakPolarHBondContact OH-CB 3.39Å; Y454-A494 HydrophobicContact CD1-CB 3.98Å; Y454-A494 HydrophobicContact CD2-CB 3.35Å; Y454-A494 HydrophobicContact CE1-CB 4.32Å; Y454-A494 HydrophobicContact CE2-CB 3.74Å; Y454-A494 HydrophobicContact CG-CB 3.5Å; Y454-V495 WeakPolarHBondContact CB-O 3.47Å
455	Y	98.1	Very high	96.6	Very high	20 Å²	20	32.3 Å²	32.3	8%	0.078	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	157.7	165.8	-66.7	-91.3	0	0	0	110.2	F364 L460 A494 V495 P501 I504	F364-Y455 HydrophobicContact CD1-CE1 4.04Å; F364-Y455 HydrophobicContact CD1-CE2 4.31Å; F364-Y455 AromaticContact CD1-CZ 3.8Å; F364-Y455 HydrophobicContact CE1-CD1 4.25Å; F364-Y455 AromaticContact CE1-CD2 3.97Å; F364-Y455 HydrophobicContact CE1-CD2 3.97Å; F364-Y455 AromaticContact CE1-CE1 3.81Å; F364-Y455 HydrophobicContact CE1-CE1 3.81Å; F364-Y455 AromaticContact CE1-CE2 3.46Å; F364-Y455 HydrophobicContact CE1-CE2 3.46Å; F364-Y455 VanDerWaalsContact CE1-CE2 3.46Å; F364-Y455 HydrophobicContact CE1-CG 4.34Å; F364-Y455 AromaticContact CE1-CZ 3.39Å; F364-Y455 HydrophobicContact CZ-CD2 4.29Å; F364-Y455 AromaticContact CZ-CE2 3.71Å; F364-Y455 HydrophobicContact CZ-CE2 3.71Å; Y455-L460 HydrophobicContact CD1-CD2 4.01Å; Y455-A494 CarbonylContact O-C 3.57Å; Y455-A494 VanDerWaalsContact O-CA 3.29Å; Y455-A494 WeakPolarHBondContact O-CA 3.45Å; Y455-V495 PolarHBondContact N-O 3.47Å; Y455-V495 PolarHBondContact O-N 3.24Å; Y455-P501 WeakPolarHBondContact OH-CG 3.27Å; Y455-I504 HydrophobicContact CD1-CD1 4.49Å; Y455-I504 HydrophobicContact CD2-CD1 3.49Å; Y455-I504 VanDerWaalsContact CD2-CD1 3.49Å; Y455-I504 HydrophobicContact CE1-CD1 4.23Å; Y455-I504 HydrophobicContact CE2-CD1 3.19Å; Y455-I504 HydrophobicContact CG-CD1 4.14Å
456	T	97.6	Very high	96.5	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.8	167.1	71.3	0	0	0	0	110	K295 Y454 D458 N459 L460 N493	K295-T456 HydrophobicContact CB-CG2 4Å; Y454-T456 HydrophobicContact CD2-CG2 3.94Å; Y454-T456 HydrophobicContact CE2-CG2 3.73Å; T456-D458 VanDerWaalsContact C-N 3.26Å; T456-D458 VanDerWaalsContact CB-OD1 3.29Å; T456-D458 WeakPolarHBondContact CB-OD1 3.29Å; T456-D458 PolarHBondContact O-N 2.84Å; T456-D458 PolarHBondContact OG1-OD1 3.03Å; T456-D458 PolarHBondContact OG1-OD2 2.67Å; T456-N459 WeakPolarHBondContact O-CB 3.24Å; T456-N459 PolarHBondContact O-N 2.8Å; T456-N459 WeakPolarHBondContact OG1-CB 3.29Å; T456-N459 PolarHBondContact OG1-N 2.97Å; T456-L460 PolarHBondContact O-N 2.78Å; T456-L460 VanDerWaalsContact O-N 3.09Å; T456-N493 WeakPolarHBondContact CA-O 3.48Å
457	V	96.1	Very high	96.5	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-36	-173.3	-170.1	0	0	0	0	111.2	N459 L460 S461 T468 P469 L471 F474 N493 V495	V457-N459 VanDerWaalsContact C-N 3.35Å; V457-L460 PolarHBondContact O-N 3.41Å; V457-S461 WeakPolarHBondContact O-CB 3.21Å; V457-S461 PolarHBondContact O-N 2.58Å; V457-S461 PolarHBondContact O-OG 3.5Å; V457-T468 HydrophobicContact CB-CG2 4.39Å; V457-T468 HydrophobicContact CG1-CG2 3.84Å; V457-P469 HydrophobicContact CG1-CG 3.74Å; V457-L471 HydrophobicContact CG2-CD1 3.87Å; V457-F474 HydrophobicContact CG1-CB 4.2Å; V457-F474 HydrophobicContact CG1-CD2 4.37Å; V457-F474 HydrophobicContact CG1-CG 4.11Å; V457-F474 HydrophobicContact CG2-CB 4.37Å; V457-F474 HydrophobicContact CG2-CD1 3.81Å; V457-F474 HydrophobicContact CG2-CE1 4.37Å; V457-F474 HydrophobicContact CG2-CG 4.14Å; V457-N493 PolarHBondContact N-O 2.87Å; V457-V495 HydrophobicContact CG2-CG2 3.8Å
458	D	95.7	Very high	96.5	Very high	60 Å²	60	34.2 Å²	34.2	32%	0.321	19%	0.191	S	C	.	.	H	α-helix	trans	-63.3	-38.9	174.1	56.1	-76.6	0	0	0	112.2	T456 S462 N493	T456-D458 VanDerWaalsContact C-N 3.26Å; T456-D458 VanDerWaalsContact CB-OD1 3.29Å; T456-D458 WeakPolarHBondContact CB-OD1 3.29Å; T456-D458 PolarHBondContact O-N 2.84Å; T456-D458 PolarHBondContact OG1-OD1 3.03Å; T456-D458 PolarHBondContact OG1-OD2 2.67Å; D458-S462 VanDerWaalsContact O-CB 3.25Å; D458-S462 WeakPolarHBondContact O-CB 3.32Å; D458-S462 PolarHBondContact O-N 3.26Å; D458-S462 PolarHBondContact O-OG 2.8Å; D458-N493 WeakPolarHBondContact OD1-CB 3.33Å
459	N	96.5	Very high	96.5	Very high	26 Å²	26	33.2 Å²	33.2	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-49.3	177.4	-177.8	78.1	0	0	0	110.7	K295 T456 V457 S461 S462 T463	K295-N459 HydrophobicContact CD-CB 4.26Å; K295-N459 WeakPolarHBondContact CE-OD1 3.5Å; K295-N459 HydrophobicContact CG-CB 3.81Å; T456-N459 WeakPolarHBondContact O-CB 3.24Å; T456-N459 PolarHBondContact O-N 2.8Å; T456-N459 WeakPolarHBondContact OG1-CB 3.29Å; T456-N459 PolarHBondContact OG1-N 2.97Å; V457-N459 VanDerWaalsContact C-N 3.35Å; N459-S461 VanDerWaalsContact C-N 3.28Å; N459-S461 PolarHBondContact O-N 2.95Å; N459-S462 WeakPolarHBondContact CA-OG 3.11Å; N459-S462 PolarHBondContact O-N 3.48Å; N459-S462 VanDerWaalsContact O-N 3.11Å; N459-S462 PolarHBondContact O-OG 3.23Å; N459-T463 PolarHBondContact O-N 2.91Å; N459-T463 PolarHBondContact O-OG1 3.37Å
460	L	97.6	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-54.2	-47.6	177.7	-66.5	174.3	0	0	0	111.1	Y455 T456 V457 T463 I464 F474 I504 W505 M508	Y455-L460 HydrophobicContact CD1-CD2 4.01Å; T456-L460 PolarHBondContact O-N 2.78Å; T456-L460 VanDerWaalsContact O-N 3.09Å; V457-L460 PolarHBondContact O-N 3.41Å; L460-T463 WeakPolarHBondContact O-CB 3.31Å; L460-T463 PolarHBondContact O-N 3.21Å; L460-I464 PolarHBondContact O-N 3.01Å; L460-F474 HydrophobicContact CD1-CE1 4.22Å; L460-F474 HydrophobicContact CD1-CE2 4.11Å; L460-F474 HydrophobicContact CD1-CZ 3.56Å; L460-I504 HydrophobicContact CD1-CG2 3.72Å; L460-I504 HydrophobicContact CD2-CG2 3.95Å; L460-W505 HydrophobicContact CB-CH2 4.47Å; L460-W505 HydrophobicContact CD2-CH2 3.56Å; L460-W505 HydrophobicContact CD2-CZ2 3.73Å; L460-W505 HydrophobicContact CD2-CZ3 4.08Å; L460-M508 HydrophobicContact CB-CE 4.12Å; L460-M508 HydrophobicContact CB-CG 4.13Å; L460-M508 HydrophobicContact CB-SD 3.98Å; L460-M508 HydrophobicContact CD1-CG 4.41Å; L460-M508 HydrophobicContact CD1-SD 4.39Å
461	S	97.1	Very high	96.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-41.9	178.2	-50.8	0	0	0	0	112	V457 N459 T463 I464 H465 C466 T468	V457-S461 WeakPolarHBondContact O-CB 3.21Å; V457-S461 PolarHBondContact O-N 2.58Å; V457-S461 PolarHBondContact O-OG 3.5Å; N459-S461 VanDerWaalsContact C-N 3.28Å; N459-S461 PolarHBondContact O-N 2.95Å; S461-T463 VanDerWaalsContact C-N 3.3Å; S461-T463 PolarHBondContact O-N 3.5Å; S461-I464 PolarHBondContact O-N 2.99Å; S461-H465 WeakPolarHBondContact O-CA 3.42Å; S461-H465 PolarHBondContact O-N 2.99Å; S461-C466 PolarHBondContact O-N 2.83Å; S461-C466 VanDerWaalsContact O-N 3.11Å; S461-T468 WeakPolarHBondContact CB-OG1 3.19Å; S461-T468 WeakPolarHBondContact OG-CA 3.31Å; S461-T468 PolarHBondContact OG-OG1 3.41Å
462	S	96.8	Very high	96.4	Very high	64 Å²	64	29.8 Å²	29.8	45%	0.448	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-33.3	178.7	75.7	0	0	0	0	112.9	D458 N459 I464 H465	D458-S462 VanDerWaalsContact O-CB 3.25Å; D458-S462 WeakPolarHBondContact O-CB 3.32Å; D458-S462 PolarHBondContact O-N 3.26Å; D458-S462 PolarHBondContact O-OG 2.8Å; N459-S462 WeakPolarHBondContact CA-OG 3.11Å; N459-S462 PolarHBondContact O-N 3.48Å; N459-S462 VanDerWaalsContact O-N 3.11Å; N459-S462 PolarHBondContact O-OG 3.23Å; S462-I464 VanDerWaalsContact C-N 3.31Å; S462-I464 PolarHBondContact O-N 3.04Å; S462-H465 PolarHBondContact O-N 3.38Å; S462-H465 PolarHBondContact O-ND1 2.78Å
463	T	97.1	Very high	96.5	Very high	18 Å²	18	31.3 Å²	31.3	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-35.7	178.7	-63.9	0	0	0	0	112	C361 N459 L460 S461 W505 P527 A528 I531	C361-T463 HydrophobicContact CB-CG2 4Å; N459-T463 PolarHBondContact O-N 2.91Å; N459-T463 PolarHBondContact O-OG1 3.37Å; L460-T463 WeakPolarHBondContact O-CB 3.31Å; L460-T463 PolarHBondContact O-N 3.21Å; S461-T463 VanDerWaalsContact C-N 3.3Å; S461-T463 PolarHBondContact O-N 3.5Å; T463-W505 HydrophobicContact CG2-CH2 3.74Å; T463-W505 HydrophobicContact CG2-CZ2 4.41Å; T463-W505 HydrophobicContact CG2-CZ3 4.42Å; T463-P527 HydrophobicContact CG2-CB 4.18Å; T463-A528 WeakPolarHBondContact O-CB 3.46Å; T463-I531 HydrophobicContact CG2-CD1 3.92Å
464	I	96.7	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-104.5	4	179.4	63.8	166.6	0	0	0	113.5	L460 S461 S462 C466 W505 M508 E512 I531 L532	L460-I464 PolarHBondContact O-N 3.01Å; S461-I464 PolarHBondContact O-N 2.99Å; S462-I464 VanDerWaalsContact C-N 3.31Å; S462-I464 PolarHBondContact O-N 3.04Å; I464-C466 VanDerWaalsContact C-N 3.33Å; I464-C466 HydrophobicContact CD1-CB 4.14Å; I464-C466 VanDerWaalsContact CD1-SG 3.57Å; I464-C466 HydrophobicContact CG1-CB 4.12Å; I464-C466 PolarHBondContact O-N 2.82Å; I464-W505 HydrophobicContact CG2-CE3 4.34Å; I464-W505 HydrophobicContact CG2-CZ3 3.81Å; I464-M508 HydrophobicContact CD1-CB 4Å; I464-M508 HydrophobicContact CD1-CE 3.9Å; I464-M508 HydrophobicContact CG1-CE 4.41Å; I464-E512 HydrophobicContact CD1-CB 4.42Å; I464-I531 HydrophobicContact CG2-CB 4.2Å; I464-I531 HydrophobicContact CG2-CD1 4.1Å; I464-I531 HydrophobicContact CG2-CG2 3.89Å; I464-L532 HydrophobicContact CB-CD1 4.3Å; I464-L532 HydrophobicContact CB-CD2 4.39Å; I464-L532 HydrophobicContact CB-CG 4.36Å; I464-L532 HydrophobicContact CD1-CD2 4.21Å; I464-L532 HydrophobicContact CG2-CD2 4.49Å; I464-L532 HydrophobicContact CG2-CG 4.44Å
465	H	95.4	Very high	96.4	Very high	124 Å²	124	32.5 Å²	32.5	57%	0.574	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	32.8	179.1	-53.7	-63.4	0	0	0	115.4	S461 S462 V517	S461-H465 WeakPolarHBondContact O-CA 3.42Å; S461-H465 PolarHBondContact O-N 2.99Å; S462-H465 PolarHBondContact O-N 3.38Å; S462-H465 PolarHBondContact O-ND1 2.78Å; H465-V517 WeakPolarHBondContact O-CG1 2.95Å
466	C	95.1	Very high	96.4	Very high	17 Å²	17	31.5 Å²	31.5	12%	0.115	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-99.8	168.9	178.4	75.8	0	0	0	0	113.1	S461 I464 V517	S461-C466 PolarHBondContact O-N 2.83Å; S461-C466 VanDerWaalsContact O-N 3.11Å; I464-C466 VanDerWaalsContact C-N 3.33Å; I464-C466 HydrophobicContact CD1-CB 4.14Å; I464-C466 VanDerWaalsContact CD1-SG 3.57Å; I464-C466 HydrophobicContact CG1-CB 4.12Å; I464-C466 PolarHBondContact O-N 2.82Å; C466-V517 HydrophobicContact CB-CG1 3.61Å
467	S	95.7	Very high	96.4	Very high	57 Å²	57	31.4 Å²	31.4	40%	0.399	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-62.9	145.8	166.7	61.9	0	0	0	0	110	W511 N515	S467-W511 PolarHBondContact O-NE1 2.9Å; S467-N515 WeakPolarHBondContact OG-CB 3.42Å; S467-N515 PolarHBondContact OG-OD1 3.16Å
468	T	96.2	Very high	96.5	Very high	79 Å²	79	31.1 Å²	31.1	49%	0.485	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-83.7	122.9	-177.8	-53.7	0	0	0	0	110.6	V457 S461	V457-T468 HydrophobicContact CB-CG2 4.39Å; V457-T468 HydrophobicContact CG1-CG2 3.84Å; S461-T468 WeakPolarHBondContact CB-OG1 3.19Å; S461-T468 WeakPolarHBondContact OG-CA 3.31Å; S461-T468 PolarHBondContact OG-OG1 3.41Å
469	P	96.2	Very high	96.6	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.026	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-62.6	151.1	170.9	23.8	-29.1	0	0	0	110.3	V457 F474 W511	V457-P469 HydrophobicContact CG1-CG 3.74Å; P469-F474 HydrophobicContact CB-CB 4.39Å; P469-F474 HydrophobicContact CG-CB 4.14Å; P469-F474 HydrophobicContact CG-CD2 4.11Å; P469-W511 VanDerWaalsContact CA-CZ2 3.45Å; P469-W511 HydrophobicContact CB-CD2 3.75Å; P469-W511 HydrophobicContact CB-CE3 3.9Å; P469-W511 HydrophobicContact CB-CG 4.43Å; P469-W511 HydrophobicContact CB-CH2 3.82Å; P469-W511 HydrophobicContact CB-CZ2 3.69Å; P469-W511 HydrophobicContact CB-CZ3 3.92Å; P469-W511 HydrophobicContact CG-CD2 4.16Å; P469-W511 HydrophobicContact CG-CG 4.33Å
470	S	95.4	Very high	96.7	Very high	55 Å²	55	32 Å²	32	39%	0.385	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-62.3	149.4	172.4	73.7	0	0	0	0	110.2	L472 Q473 F474	S470-L472 PolarHBondContact O-N 2.9Å; S470-L472 VanDerWaalsContact O-N 3.14Å; S470-Q473 VanDerWaalsContact CB-OE1 3.28Å; S470-Q473 VanDerWaalsContact N-OE1 3.07Å; S470-Q473 PolarHBondContact O-N 3.05Å; S470-Q473 WeakPolarHBondContact OG-CB 3.36Å; S470-Q473 VanDerWaalsContact OG-CD 3.28Å; S470-Q473 WeakPolarHBondContact OG-CG 3.36Å; S470-Q473 PolarHBondContact OG-N 2.89Å; S470-Q473 PolarHBondContact OG-OE1 3.22Å; S470-F474 PolarHBondContact O-N 3.49Å
471	L	94.2	Very high	96.7	Very high	35 Å²	35	33.9 Å²	33.9	18%	0.183	19%	0.194	C	C	.	.	H	α-helix	trans	-54.2	-37.4	-178.9	-174.5	64.4	0	0	0	112.3	V457 R475 L487 V495	V457-L471 HydrophobicContact CG2-CD1 3.87Å; L471-R475 WeakPolarHBondContact O-CB 3.42Å; L471-R475 PolarHBondContact O-N 2.71Å; L471-L487 HydrophobicContact CD1-CD2 3.92Å; L471-L487 HydrophobicContact CD2-CD1 3.98Å; L471-L487 HydrophobicContact CD2-CD2 3.76Å; L471-L487 HydrophobicContact CG-CD2 3.91Å; L471-V495 HydrophobicContact CD1-CG2 3.59Å
472	L	95.4	Very high	96.7	Very high	27 Å²	27	37 Å²	37	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-72.9	-37.7	177.8	-66.9	-174.1	0	0	0	113	S470 S476 V544 A548 N549	S470-L472 PolarHBondContact O-N 2.9Å; S470-L472 VanDerWaalsContact O-N 3.14Å; L472-S476 VanDerWaalsContact O-CB 3.28Å; L472-S476 WeakPolarHBondContact O-CB 3.48Å; L472-S476 PolarHBondContact O-N 3.1Å; L472-S476 PolarHBondContact O-OG 2.76Å; L472-V544 HydrophobicContact CB-CG1 4.19Å; L472-V544 HydrophobicContact CB-CG2 4.41Å; L472-V544 HydrophobicContact CD1-CG1 4.37Å; L472-A548 VanDerWaalsContact CD2-O 3.3Å; L472-A548 WeakPolarHBondContact CD2-O 3.36Å; L472-N549 HydrophobicContact CD1-CB 4.17Å; L472-N549 HydrophobicContact CD2-CB 3.9Å
473	Q	97.1	Very high	96.7	Very high	58 Å²	58	36.1 Å²	36.1	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-64.5	-47.9	175.4	-75.7	167.6	-55.6	0	0	110.8	S470 R475 S476 A477 F542 V544	S470-Q473 VanDerWaalsContact CB-OE1 3.28Å; S470-Q473 VanDerWaalsContact N-OE1 3.07Å; S470-Q473 PolarHBondContact O-N 3.05Å; S470-Q473 WeakPolarHBondContact OG-CB 3.36Å; S470-Q473 VanDerWaalsContact OG-CD 3.28Å; S470-Q473 WeakPolarHBondContact OG-CG 3.36Å; S470-Q473 PolarHBondContact OG-N 2.89Å; S470-Q473 PolarHBondContact OG-OE1 3.22Å; Q473-R475 PolarHBondContact O-N 3.49Å; Q473-S476 PolarHBondContact O-N 2.85Å; Q473-A477 PolarHBondContact O-N 3.43Å; Q473-F542 HydrophobicContact CB-CB 4.44Å; Q473-F542 HydrophobicContact CB-CD1 4.37Å; Q473-V544 HydrophobicContact CG-CG2 4Å
474	F	97.6	Very high	96.8	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.013	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-44.4	178.9	-174.4	-98.1	0	0	0	111.8	V457 L460 P469 S470 S476 A477 L478 V495 I504 V507 M508	V457-F474 HydrophobicContact CG1-CB 4.2Å; V457-F474 HydrophobicContact CG1-CD2 4.37Å; V457-F474 HydrophobicContact CG1-CG 4.11Å; V457-F474 HydrophobicContact CG2-CB 4.37Å; V457-F474 HydrophobicContact CG2-CD1 3.81Å; V457-F474 HydrophobicContact CG2-CE1 4.37Å; V457-F474 HydrophobicContact CG2-CG 4.14Å; L460-F474 HydrophobicContact CD1-CE1 4.22Å; L460-F474 HydrophobicContact CD1-CE2 4.11Å; L460-F474 HydrophobicContact CD1-CZ 3.56Å; P469-F474 HydrophobicContact CB-CB 4.39Å; P469-F474 HydrophobicContact CG-CB 4.14Å; P469-F474 HydrophobicContact CG-CD2 4.11Å; S470-F474 PolarHBondContact O-N 3.49Å; F474-S476 VanDerWaalsContact C-N 3.34Å; F474-S476 PolarHBondContact O-N 2.79Å; F474-A477 PolarHBondContact O-N 2.89Å; F474-L478 HydrophobicContact CD1-CD1 4.08Å; F474-L478 HydrophobicContact CE1-CD1 3.58Å; F474-L478 HydrophobicContact CE1-CG 4.37Å; F474-L478 HydrophobicContact CZ-CD1 4.14Å; F474-L478 PolarHBondContact O-N 2.97Å; F474-V495 HydrophobicContact CD1-CG1 4.44Å; F474-V495 HydrophobicContact CD1-CG2 4.12Å; F474-V495 HydrophobicContact CE1-CB 4.43Å; F474-V495 HydrophobicContact CE1-CG1 4.25Å; F474-V495 HydrophobicContact CE1-CG2 4.4Å; F474-I504 HydrophobicContact CZ-CG2 4.31Å; F474-V507 HydrophobicContact CD2-CG1 3.94Å; F474-V507 HydrophobicContact CE2-CB 4.44Å; F474-V507 HydrophobicContact CE2-CG1 3.75Å; F474-M508 HydrophobicContact CD2-SD 3.98Å; F474-M508 HydrophobicContact CE2-CG 4.18Å; F474-M508 HydrophobicContact CE2-SD 3.53Å; F474-M508 VanDerWaalsContact CE2-SD 3.53Å
475	R	97.1	Very high	96.8	Very high	25 Å²	25	40.9 Å²	40.9	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-42.6	173.2	173.8	170.6	169.9	94.7	6.3	112.2	L471 Q473 A477 L478 L479 V485 A548	L471-R475 WeakPolarHBondContact O-CB 3.42Å; L471-R475 PolarHBondContact O-N 2.71Å; Q473-R475 PolarHBondContact O-N 3.49Å; R475-A477 VanDerWaalsContact C-N 3.33Å; R475-A477 PolarHBondContact O-N 2.98Å; R475-L478 PolarHBondContact O-N 3.48Å; R475-L479 HydrophobicContact CG-CD1 3.94Å; R475-L479 HydrophobicContact CG-CG 4.43Å; R475-L479 VanDerWaalsContact O-CG 3.31Å; R475-L479 WeakPolarHBondContact O-CG 3.33Å; R475-L479 PolarHBondContact O-N 3.36Å; R475-V485 HydrophobicContact CB-CG1 4.41Å; R475-V485 HydrophobicContact CG-CB 4.2Å; R475-V485 HydrophobicContact CG-CG1 3.87Å; R475-V485 PolarHBondContact NH1-O 3.11Å; R475-V485 PolarHBondContact NH2-O 3.07Å; R475-A548 WeakPolarHBondContact CD-O 3.47Å; R475-A548 HydrophobicContact CG-CB 4.27Å; R475-A548 PolarHBondContact NE-O 2.86Å
476	S	97.9	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-37.4	179.3	-58.3	0	0	0	0	112	L472 Q473 F474 L478 L479 H480 T543 V544 R545 A548	L472-S476 VanDerWaalsContact O-CB 3.28Å; L472-S476 WeakPolarHBondContact O-CB 3.48Å; L472-S476 PolarHBondContact O-N 3.1Å; L472-S476 PolarHBondContact O-OG 2.76Å; Q473-S476 PolarHBondContact O-N 2.85Å; F474-S476 VanDerWaalsContact C-N 3.34Å; F474-S476 PolarHBondContact O-N 2.79Å; S476-L478 PolarHBondContact O-N 2.89Å; S476-L479 PolarHBondContact O-N 3.45Å; S476-H480 WeakPolarHBondContact O-CB 3.21Å; S476-H480 PolarHBondContact O-CD2 2.95Å; S476-H480 PolarHBondContact O-N 3.4Å; S476-T543 WeakPolarHBondContact CB-O 3.37Å; S476-V544 WeakPolarHBondContact OG-CA 3.45Å; S476-R545 PolarHBondContact OG-N 3.43Å; S476-A548 WeakPolarHBondContact OG-CB 3.36Å
477	A	98.2	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-44.1	175	0	0	0	0	0	112.5	Q473 F474 R475 H480 A481 V507 A540 C541 F542	Q473-A477 PolarHBondContact O-N 3.43Å; F474-A477 PolarHBondContact O-N 2.89Å; R475-A477 VanDerWaalsContact C-N 3.33Å; R475-A477 PolarHBondContact O-N 2.98Å; A477-H480 PolarHBondContact O-N 3.28Å; A477-A481 WeakPolarHBondContact O-CB 3.43Å; A477-A481 PolarHBondContact O-N 3.4Å; A477-V507 HydrophobicContact CB-CG1 3.71Å; A477-V507 HydrophobicContact CB-CG2 4.42Å; A477-A540 HydrophobicContact CB-CB 4.36Å; A477-C541 WeakPolarHBondContact CA-O 3.41Å; A477-C541 PolarHBondContact N-O 2.97Å; A477-F542 HydrophobicContact CB-CD1 3.81Å; A477-F542 HydrophobicContact CB-CE1 3.76Å; A477-F542 HydrophobicContact CB-CG 4.49Å; A477-F542 HydrophobicContact CB-CZ 4.39Å
478	L	98.2	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-40.6	175.2	-70.4	171.5	0	0	0	112.5	F474 R475 S476 A481 G482 H483 V485 V495 T497 A499 V503 I504 V507	F474-L478 HydrophobicContact CD1-CD1 4.08Å; F474-L478 HydrophobicContact CE1-CD1 3.58Å; F474-L478 HydrophobicContact CE1-CG 4.37Å; F474-L478 HydrophobicContact CZ-CD1 4.14Å; F474-L478 PolarHBondContact O-N 2.97Å; R475-L478 PolarHBondContact O-N 3.48Å; S476-L478 PolarHBondContact O-N 2.89Å; L478-A481 CarbonylContact O-C 3.52Å; L478-A481 PolarHBondContact O-N 2.75Å; L478-G482 PolarHBondContact O-N 2.66Å; L478-H483 PolarHBondContact O-N 2.94Å; L478-H483 VanDerWaalsContact O-N 3.12Å; L478-V485 HydrophobicContact CB-CG2 3.49Å; L478-V485 VanDerWaalsContact CB-CG2 3.49Å; L478-V485 HydrophobicContact CD1-CG1 4.39Å; L478-V485 HydrophobicContact CD1-CG2 4.18Å; L478-V495 HydrophobicContact CD1-CG1 3.94Å; L478-T497 HydrophobicContact CD1-CG2 4.12Å; L478-A499 HydrophobicContact CD2-CB 3.89Å; L478-V503 HydrophobicContact CD2-CG1 4.36Å; L478-I504 HydrophobicContact CD2-CG1 4.43Å; L478-V507 HydrophobicContact CD2-CG2 4.18Å
479	L	97.8	Very high	97	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.115	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-40.5	176.6	-71.7	169.7	0	0	0	112.2	R475 S476 A481 G482 V485 R545 A548	R475-L479 HydrophobicContact CG-CD1 3.94Å; R475-L479 HydrophobicContact CG-CG 4.43Å; R475-L479 VanDerWaalsContact O-CG 3.31Å; R475-L479 WeakPolarHBondContact O-CG 3.33Å; R475-L479 PolarHBondContact O-N 3.36Å; S476-L479 PolarHBondContact O-N 3.45Å; L479-A481 VanDerWaalsContact C-N 3.29Å; L479-G482 PolarHBondContact O-N 2.83Å; L479-G482 VanDerWaalsContact O-N 3.13Å; L479-V485 HydrophobicContact CD2-CB 4.25Å; L479-V485 HydrophobicContact CD2-CG2 4Å; L479-V485 HydrophobicContact CG-CB 4.41Å; L479-V485 HydrophobicContact CG-CG2 3.99Å; L479-R545 PolarHBondContact O-NH1 3Å; L479-A548 HydrophobicContact CD1-CB 4.05Å
480	H	98	Very high	97	Very high	84 Å²	84	28.5 Å²	28.5	39%	0.389	16%	0.162	S	C	.	.	H	α-helix	trans	-66.7	-31.1	173.6	-78.1	-56.7	0	0	0	112.5	S476 A477 G482 C541 T543 R545	S476-H480 WeakPolarHBondContact O-CB 3.21Å; S476-H480 PolarHBondContact O-CD2 2.95Å; S476-H480 PolarHBondContact O-N 3.4Å; A477-H480 PolarHBondContact O-N 3.28Å; H480-G482 PolarHBondContact O-N 3.03Å; H480-C541 HydrophobicContact CB-CB 4.04Å; H480-C541 PolarHBondContact CD2-O 2.95Å; H480-T543 PolarHBondContact NE2-O 3.4Å; H480-T543 VanDerWaalsContact NE2-O 3.17Å; H480-R545 VanDerWaalsContact CE1-CG 3.45Å; H480-R545 WeakPolarHBondContact CE1-CG 3.45Å; H480-R545 WeakPolarHBondContact NE2-CG 3.23Å
481	A	97.2	Very high	96.9	Very high	38 Å²	38	27.6 Å²	27.6	31%	0.314	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	4	171.6	0	0	0	0	0	113.7	A477 L478 L479 H483	A477-A481 WeakPolarHBondContact O-CB 3.43Å; A477-A481 PolarHBondContact O-N 3.4Å; L478-A481 CarbonylContact O-C 3.52Å; L478-A481 PolarHBondContact O-N 2.75Å; L479-A481 VanDerWaalsContact C-N 3.29Å; A481-H483 PolarHBondContact O-CD2 3.32Å
482	G	97.1	Very high	96.8	Very high	67 Å²	67	32 Å²	32	69%	0.691	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	12.3	174.9	0	0	0	0	0	115.1	L478 L479 H480	L478-G482 PolarHBondContact O-N 2.66Å; L479-G482 PolarHBondContact O-N 2.83Å; L479-G482 VanDerWaalsContact O-N 3.13Å; H480-G482 PolarHBondContact O-N 3.03Å
483	H	98.1	Very high	96.6	Very high	45 Å²	45	34.2 Å²	34.2	21%	0.208	19%	0.185	C	C	.	.			trans	-98.9	149.7	-178.8	-70.8	-70.5	0	0	0	112.8	L478 A481 D498 A499	L478-H483 PolarHBondContact O-N 2.94Å; L478-H483 VanDerWaalsContact O-N 3.12Å; A481-H483 PolarHBondContact O-CD2 3.32Å; H483-D498 WeakPolarHBondContact CA-OD1 2.91Å; H483-D498 WeakPolarHBondContact CB-OD1 3.49Å; H483-D498 IonicContact CG-OD1 3.04Å; H483-D498 IonicContact ND1-OD1 2.71Å; H483-D498 PolarHBondContact ND1-OD1 3.4Å; H483-A499 HydrophobicContact CB-CB 3.96Å; H483-A499 WeakPolarHBondContact ND1-CA 3.42Å
484	R	97.8	Very high	96.5	Very high	108 Å²	108	31.4 Å²	31.4	41%	0.408	17%	0.172	S	C	.	.			trans	-76.3	143.9	171.9	-64.9	-179.2	-63.5	151.6	5.1	109	L448 D450 T497 D498	L448-R484 HydrophobicContact CD1-CB 3.92Å; L448-R484 HydrophobicContact CD2-CB 4.02Å; D450-R484 IonicContact OD1-CZ 3.65Å; D450-R484 IonicContact OD1-NH1 3.73Å; D450-R484 PolarHBondContact OD1-NH1 3.22Å; D450-R484 IonicContact OD1-NH2 2.81Å; D450-R484 IonicContact OD2-CZ 3.53Å; D450-R484 IonicContact OD2-NH1 3.41Å; D450-R484 PolarHBondContact OD2-NH1 2.78Å; D450-R484 IonicContact OD2-NH2 3.18Å; D450-R484 PolarHBondContact OD2-NH2 3.32Å; R484-T497 WeakPolarHBondContact O-CA 3.48Å; R484-T497 VanDerWaalsContact O-CB 3.29Å; R484-T497 WeakPolarHBondContact O-CB 3.26Å; R484-T497 PolarHBondContact O-OG1 3.32Å; R484-D498 IonicContact CZ-OD2 2.9Å; R484-D498 PolarHBondContact N-OD1 2.99Å; R484-D498 IonicContact NE-OD2 3.47Å; R484-D498 PolarHBondContact NE-OD2 3.11Å; R484-D498 IonicContact NH2-OD2 3.72Å; R484-D498 PolarHBondContact NH2-OD2 3.38Å; R484-D498 PolarHBondContact O-N 3.17Å
485	V	97.8	Very high	96.5	Very high	10 Å²	10	31.4 Å²	31.4	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.3	-179.6	-165.9	0	0	0	0	110	R475 L478 L479 V495 K496	R475-V485 HydrophobicContact CB-CG1 4.41Å; R475-V485 HydrophobicContact CG-CB 4.2Å; R475-V485 HydrophobicContact CG-CG1 3.87Å; R475-V485 PolarHBondContact NH1-O 3.11Å; R475-V485 PolarHBondContact NH2-O 3.07Å; L478-V485 HydrophobicContact CB-CG2 3.49Å; L478-V485 VanDerWaalsContact CB-CG2 3.49Å; L478-V485 HydrophobicContact CD1-CG1 4.39Å; L478-V485 HydrophobicContact CD1-CG2 4.18Å; L479-V485 HydrophobicContact CD2-CB 4.25Å; L479-V485 HydrophobicContact CD2-CG2 4Å; L479-V485 HydrophobicContact CG-CB 4.41Å; L479-V485 HydrophobicContact CG-CG2 3.99Å; V485-V495 HydrophobicContact CG1-CG1 3.41Å; V485-V495 VanDerWaalsContact CG1-CG1 3.41Å; V485-K496 CarbonylContact C-O 3.56Å; V485-K496 VanDerWaalsContact CA-O 3.28Å; V485-K496 WeakPolarHBondContact CA-O 3.38Å; V485-K496 WeakPolarHBondContact CG1-O 3.17Å
486	S	97.3	Very high	96.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	167.3	161.6	73.6	0	0	0	0	111.1	E446 E447 L448 K496	E446-S486 WeakPolarHBondContact O-CB 3.41Å; E447-S486 WeakPolarHBondContact CA-OG 3.31Å; L448-S486 PolarHBondContact N-OG 3.37Å; S486-K496 PolarHBondContact N-O 3.31Å; S486-K496 PolarHBondContact O-N 2.88Å; S486-K496 WeakPolarHBondContact OG-CB 3.34Å
487	L	96.2	Very high	96.6	Very high	11 Å²	11	31 Å²	31	6%	0.058	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-177.8	160.5	-56.3	-177	0	0	0	108.6	L471 A494 V495 P550	L471-L487 HydrophobicContact CD1-CD2 3.92Å; L471-L487 HydrophobicContact CD2-CD1 3.98Å; L471-L487 HydrophobicContact CD2-CD2 3.76Å; L471-L487 HydrophobicContact CG-CD2 3.91Å; L487-A494 WeakPolarHBondContact CD2-O 3.49Å; L487-V495 HydrophobicContact CD2-CG2 4.46Å; L487-P550 HydrophobicContact CD1-CG 3.94Å; L487-P550 HydrophobicContact CG-CG 4.26Å
488	S	95.8	Very high	96.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.9	170.5	-175.7	0	0	0	0	112.4	E447 A490 C491	E447-S488 VanDerWaalsContact OE1-CA 3.29Å; E447-S488 WeakPolarHBondContact OE1-CA 3.48Å; E447-S488 PolarHBondContact OE1-OG 3.34Å; E447-S488 PolarHBondContact OE2-OG 3.44Å; S488-A490 PolarHBondContact O-N 3.21Å; S488-A490 PolarHBondContact OG-N 2.92Å; S488-C491 PolarHBondContact O-N 3.09Å
489	H	96.3	Very high	96.6	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.014	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.1	171.8	79.7	-88.2	0	0	0	112.1	S325 S327 H412 M440 M443 V444 E447 C491 F560	S325-H489 PolarHBondContact O-CE1 2.9Å; S325-H489 PolarHBondContact O-NE2 2.88Å; S327-H489 PolarHBondContact N-NE2 3.46Å; H412-H489 AromaticContact NE2-CE1 3.92Å; M440-H489 HydrophobicContact SD-CB 3.86Å; M443-H489 HydrophobicContact CB-CB 4.06Å; M443-H489 HydrophobicContact CE-CB 3.76Å; M443-H489 HydrophobicContact SD-CB 4.42Å; V444-H489 HydrophobicContact CG2-CB 4.26Å; E447-H489 WeakPolarHBondContact OE1-CB 3.49Å; E447-H489 IonicContact OE1-CE1 3.64Å; E447-H489 IonicContact OE1-CG 2.75Å; E447-H489 PolarHBondContact OE1-N 3.45Å; E447-H489 IonicContact OE1-ND1 3.26Å; E447-H489 PolarHBondContact OE1-ND1 3.33Å; E447-H489 IonicContact OE2-ND1 2.68Å; H489-C491 VanDerWaalsContact C-N 3.32Å; H489-C491 PolarHBondContact O-N 3.42Å; H489-F560 VanDerWaalsContact O-CE1 3.3Å; H489-F560 WeakPolarHBondContact O-CE1 3.49Å
490	A	96	Very high	96.5	Very high	6 Å²	6	36.2 Å²	36.2	5%	0.05	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.9	-177.3	0	0	0	0	0	113.5	H298 E299 Y454 S488	H298-A490 HydrophobicContact CB-CB 4.17Å; H298-A490 PolarHBondContact ND1-O 3.39Å; H298-A490 VanDerWaalsContact ND1-O 3.16Å; E299-A490 HydrophobicContact CB-CB 4.31Å; Y454-A490 HydrophobicContact CE1-CB 3.88Å; S488-A490 PolarHBondContact O-N 3.21Å; S488-A490 PolarHBondContact OG-N 2.92Å
491	C	94.5	Very high	96.5	Very high	36 Å²	36	32.9 Å²	32.9	24%	0.243	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	132.3	178.2	178.2	0	0	0	0	112.9	Y454 S488 H489 N493 A494	Y454-C491 HydrophobicContact CE1-CB 4.29Å; Y454-C491 HydrophobicContact CE2-CB 3.76Å; Y454-C491 VanDerWaalsContact CZ-CB 3.49Å; Y454-C491 VanDerWaalsContact OH-CB 3.28Å; Y454-C491 WeakPolarHBondContact OH-CB 3.39Å; S488-C491 PolarHBondContact O-N 3.09Å; H489-C491 VanDerWaalsContact C-N 3.32Å; H489-C491 PolarHBondContact O-N 3.42Å; C491-N493 VanDerWaalsContact C-N 3.33Å; C491-N493 PolarHBondContact O-N 2.84Å; C491-A494 HydrophobicContact CB-CB 3.9Å; C491-A494 WeakPolarHBondContact O-CB 3.27Å; C491-A494 PolarHBondContact O-N 3.28Å
492	K	91.1	Very high	96.5	Very high	127 Å²	127	32.1 Å²	32.1	55%	0.552	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	-38.6	-173.2	-173.6	175.9	-178.9	175.2	0	115.4	F560	K492-F560 VanDerWaalsContact CA-CZ 3.42Å; K492-F560 HydrophobicContact CB-CD1 4.42Å; K492-F560 HydrophobicContact CB-CD2 4.11Å; K492-F560 HydrophobicContact CB-CE1 4.29Å; K492-F560 HydrophobicContact CB-CE2 3.99Å; K492-F560 HydrophobicContact CB-CG 4.34Å; K492-F560 HydrophobicContact CB-CZ 4.1Å; K492-F560 HydrophobicContact CG-CD2 3.94Å; K492-F560 HydrophobicContact CG-CE2 4.05Å; K492-F560 HydrophobicContact CG-CG 4.47Å
493	N	91	Very high	96.5	Very high	73 Å²	73	30 Å²	30	39%	0.39	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	17.9	-177.8	-63.8	-15.6	0	0	0	112.3	T456 V457 D458 C491	T456-N493 WeakPolarHBondContact CA-O 3.48Å; V457-N493 PolarHBondContact N-O 2.87Å; D458-N493 WeakPolarHBondContact OD1-CB 3.33Å; C491-N493 VanDerWaalsContact C-N 3.33Å; C491-N493 PolarHBondContact O-N 2.84Å
494	A	96.2	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.1	179.6	0	0	0	0	0	112.2	Y454 Y455 L487 C491	Y454-A494 HydrophobicContact CD1-CB 3.98Å; Y454-A494 HydrophobicContact CD2-CB 3.35Å; Y454-A494 HydrophobicContact CE1-CB 4.32Å; Y454-A494 HydrophobicContact CE2-CB 3.74Å; Y454-A494 HydrophobicContact CG-CB 3.5Å; Y455-A494 CarbonylContact O-C 3.57Å; Y455-A494 VanDerWaalsContact O-CA 3.29Å; Y455-A494 WeakPolarHBondContact O-CA 3.45Å; L487-A494 WeakPolarHBondContact CD2-O 3.49Å; C491-A494 HydrophobicContact CB-CB 3.9Å; C491-A494 WeakPolarHBondContact O-CB 3.27Å; C491-A494 PolarHBondContact O-N 3.28Å
495	V	97.3	Very high	96.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.5	171.7	-179.9	0	0	0	0	107.8	Y454 Y455 V457 L471 F474 L478 V485 L487	Y454-V495 WeakPolarHBondContact CB-O 3.47Å; Y455-V495 PolarHBondContact N-O 3.47Å; Y455-V495 PolarHBondContact O-N 3.24Å; V457-V495 HydrophobicContact CG2-CG2 3.8Å; L471-V495 HydrophobicContact CD1-CG2 3.59Å; F474-V495 HydrophobicContact CD1-CG1 4.44Å; F474-V495 HydrophobicContact CD1-CG2 4.12Å; F474-V495 HydrophobicContact CE1-CB 4.43Å; F474-V495 HydrophobicContact CE1-CG1 4.25Å; F474-V495 HydrophobicContact CE1-CG2 4.4Å; L478-V495 HydrophobicContact CD1-CG1 3.94Å; V485-V495 HydrophobicContact CG1-CG1 3.41Å; V485-V495 VanDerWaalsContact CG1-CG1 3.41Å; L487-V495 HydrophobicContact CD2-CG2 4.46Å
496	K	97.9	Very high	96.6	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.3	167.6	-66.6	-172.2	157.9	178.3	0	108.7	E299 E447 V451 L453 V485 S486	E299-K496 IonicContact OE1-NZ 3.44Å; E299-K496 PolarHBondContact OE1-NZ 2.71Å; E299-K496 WeakPolarHBondContact OE2-CE 3.31Å; E299-K496 IonicContact OE2-NZ 3.71Å; E299-K496 PolarHBondContact OE2-NZ 3.39Å; E447-K496 WeakPolarHBondContact OE2-CE 3.4Å; E447-K496 IonicContact OE2-NZ 3.07Å; E447-K496 PolarHBondContact OE2-NZ 3.12Å; V451-K496 HydrophobicContact CG1-CB 4.38Å; L453-K496 WeakPolarHBondContact O-CG 3.44Å; V485-K496 CarbonylContact C-O 3.56Å; V485-K496 VanDerWaalsContact CA-O 3.28Å; V485-K496 WeakPolarHBondContact CA-O 3.38Å; V485-K496 WeakPolarHBondContact CG1-O 3.17Å; S486-K496 PolarHBondContact N-O 3.31Å; S486-K496 PolarHBondContact O-N 2.88Å; S486-K496 WeakPolarHBondContact OG-CB 3.34Å
497	T	98.2	Very high	96.6	Very high	12 Å²	12	22.5 Å²	22.5	7%	0.074	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	150.1	178.4	-176	0	0	0	0	110.9	V451 L478 R484 A499 I504	V451-T497 VanDerWaalsContact CG1-O 3.25Å; V451-T497 WeakPolarHBondContact CG1-O 3.44Å; L478-T497 HydrophobicContact CD1-CG2 4.12Å; R484-T497 WeakPolarHBondContact O-CA 3.48Å; R484-T497 VanDerWaalsContact O-CB 3.29Å; R484-T497 WeakPolarHBondContact O-CB 3.26Å; R484-T497 PolarHBondContact O-OG1 3.32Å; T497-A499 HydrophobicContact CG2-CB 3.77Å; T497-A499 WeakPolarHBondContact OG1-CB 3.23Å; T497-A499 PolarHBondContact OG1-N 2.87Å; T497-A499 VanDerWaalsContact OG1-N 3.12Å; T497-I504 HydrophobicContact CG2-CD1 3.99Å; T497-I504 HydrophobicContact CG2-CG1 4.4Å
498	D	98.1	Very high	96.7	Very high	61 Å²	61	22 Å²	22	33%	0.326	13%	0.126	S	C	.	.	S	Bend	trans	-82.2	2.8	168.8	60.1	8.5	0	0	0	112.8	V451 H483 R484	V451-D498 HydrophobicContact CG2-CB 4.19Å; H483-D498 WeakPolarHBondContact CA-OD1 2.91Å; H483-D498 WeakPolarHBondContact CB-OD1 3.49Å; H483-D498 IonicContact CG-OD1 3.04Å; H483-D498 IonicContact ND1-OD1 2.71Å; H483-D498 PolarHBondContact ND1-OD1 3.4Å; R484-D498 IonicContact CZ-OD2 2.9Å; R484-D498 PolarHBondContact N-OD1 2.99Å; R484-D498 IonicContact NE-OD2 3.47Å; R484-D498 PolarHBondContact NE-OD2 3.11Å; R484-D498 IonicContact NH2-OD2 3.72Å; R484-D498 PolarHBondContact NH2-OD2 3.38Å; R484-D498 PolarHBondContact O-N 3.17Å
499	A	98.1	Very high	96.8	Very high	7 Å²	7	22.8 Å²	22.8	6%	0.058	13%	0.129	C	C	.	.			trans	-61.5	129.6	172	0	0	0	0	0	111.2	L478 H483 T497 V503 I504	L478-A499 HydrophobicContact CD2-CB 3.89Å; H483-A499 HydrophobicContact CB-CB 3.96Å; H483-A499 WeakPolarHBondContact ND1-CA 3.42Å; T497-A499 HydrophobicContact CG2-CB 3.77Å; T497-A499 WeakPolarHBondContact OG1-CB 3.23Å; T497-A499 PolarHBondContact OG1-N 2.87Å; T497-A499 VanDerWaalsContact OG1-N 3.12Å; A499-V503 HydrophobicContact CB-CB 4.26Å; A499-V503 HydrophobicContact CB-CG1 3.93Å; A499-I504 HydrophobicContact CB-CG1 4.15Å
500	P	96.9	Very high	96.9	Very high	65 Å²	65	23.2 Å²	23.2	42%	0.422	13%	0.133	S	C	.	.			trans	-65.9	155.9	174.8	28.2	-34.1	0	0	0	110.6	G502 V503 I504	P500-G502 PolarHBondContact O-N 2.72Å; P500-V503 HydrophobicContact CG-CB 4.13Å; P500-V503 HydrophobicContact CG-CG2 3.7Å; P500-V503 PolarHBondContact O-N 3.11Å; P500-I504 PolarHBondContact O-N 3.22Å
501	P	96.9	Very high	96.9	Very high	13 Å²	13	24 Å²	24	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-54	-32.8	-178.4	-27.7	35.3	0	0	0	114.3	H395 Y455 I504 W505	H395-P501 WeakPolarHBondContact NE2-CB 3.47Å; Y455-P501 WeakPolarHBondContact OH-CG 3.27Å; P501-I504 PolarHBondContact O-N 2.72Å; P501-W505 PolarHBondContact O-N 3.02Å
502	G	97.3	Very high	97	Very high	23 Å²	23	22.5 Å²	22.5	24%	0.237	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-46	174	0	0	0	0	0	113.6	H395 P500 I504 W505 D506	H395-G502 VanDerWaalsContact CE1-CA 3.42Å; H395-G502 WeakPolarHBondContact CE1-CA 3.38Å; H395-G502 PolarHBondContact CE1-N 2.63Å; P500-G502 PolarHBondContact O-N 2.72Å; G502-I504 VanDerWaalsContact C-N 3.33Å; G502-I504 PolarHBondContact O-N 2.82Å; G502-W505 PolarHBondContact O-N 2.79Å; G502-D506 PolarHBondContact O-N 3.29Å
503	V	98.2	Very high	97.2	Very high	22 Å²	22	21.7 Å²	21.7	13%	0.133	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-40.6	176.9	166.3	0	0	0	0	110.9	L478 A499 P500 W505 D506 V507 L538	L478-V503 HydrophobicContact CD2-CG1 4.36Å; A499-V503 HydrophobicContact CB-CB 4.26Å; A499-V503 HydrophobicContact CB-CG1 3.93Å; P500-V503 HydrophobicContact CG-CB 4.13Å; P500-V503 HydrophobicContact CG-CG2 3.7Å; P500-V503 PolarHBondContact O-N 3.11Å; V503-W505 VanDerWaalsContact C-N 3.32Å; V503-W505 PolarHBondContact O-N 3.28Å; V503-D506 PolarHBondContact O-N 2.67Å; V503-V507 WeakPolarHBondContact O-CG2 3.45Å; V503-V507 PolarHBondContact O-N 3.37Å; V503-L538 HydrophobicContact CB-CD2 4.25Å; V503-L538 HydrophobicContact CG1-CD2 3.83Å; V503-L538 HydrophobicContact CG2-CD2 4.07Å
504	I	98.3	Very high	97.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-44.7	177	-66.4	172.1	0	0	0	110.7	Y455 L460 F474 L478 T497 A499 P500 P501 G502 V507 M508	Y455-I504 HydrophobicContact CD1-CD1 4.49Å; Y455-I504 HydrophobicContact CD2-CD1 3.49Å; Y455-I504 VanDerWaalsContact CD2-CD1 3.49Å; Y455-I504 HydrophobicContact CE1-CD1 4.23Å; Y455-I504 HydrophobicContact CE2-CD1 3.19Å; Y455-I504 HydrophobicContact CG-CD1 4.14Å; L460-I504 HydrophobicContact CD1-CG2 3.72Å; L460-I504 HydrophobicContact CD2-CG2 3.95Å; F474-I504 HydrophobicContact CZ-CG2 4.31Å; L478-I504 HydrophobicContact CD2-CG1 4.43Å; T497-I504 HydrophobicContact CG2-CD1 3.99Å; T497-I504 HydrophobicContact CG2-CG1 4.4Å; A499-I504 HydrophobicContact CB-CG1 4.15Å; P500-I504 PolarHBondContact O-N 3.22Å; P501-I504 PolarHBondContact O-N 2.72Å; G502-I504 VanDerWaalsContact C-N 3.33Å; G502-I504 PolarHBondContact O-N 2.82Å; I504-V507 PolarHBondContact O-N 2.87Å; I504-M508 WeakPolarHBondContact O-CG 3.27Å; I504-M508 PolarHBondContact O-N 3.29Å; I504-M508 VanDerWaalsContact O-N 3.16Å
505	W	98.2	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70	-33.1	176.6	-73.3	116.9	0	0	0	113	C361 S363 H395 L460 T463 I464 P501 G502 V503 M508 R509 I531	C361-W505 HydrophobicContact CB-CH2 4.31Å; C361-W505 HydrophobicContact CB-CZ2 3.58Å; C361-W505 WeakPolarHBondContact O-CZ2 3.25Å; S363-W505 PolarHBondContact OG-NE1 3.26Å; H395-W505 AromaticContact CD2-CD1 3.64Å; H395-W505 AromaticContact CD2-NE1 3.94Å; H395-W505 AromaticContact CG-CD1 3.55Å; L460-W505 HydrophobicContact CB-CH2 4.47Å; L460-W505 HydrophobicContact CD2-CH2 3.56Å; L460-W505 HydrophobicContact CD2-CZ2 3.73Å; L460-W505 HydrophobicContact CD2-CZ3 4.08Å; T463-W505 HydrophobicContact CG2-CH2 3.74Å; T463-W505 HydrophobicContact CG2-CZ2 4.41Å; T463-W505 HydrophobicContact CG2-CZ3 4.42Å; I464-W505 HydrophobicContact CG2-CE3 4.34Å; I464-W505 HydrophobicContact CG2-CZ3 3.81Å; P501-W505 PolarHBondContact O-N 3.02Å; G502-W505 PolarHBondContact O-N 2.79Å; V503-W505 VanDerWaalsContact C-N 3.32Å; V503-W505 PolarHBondContact O-N 3.28Å; W505-M508 HydrophobicContact CE3-CB 4.06Å; W505-M508 HydrophobicContact CE3-CG 4.26Å; W505-M508 HydrophobicContact CZ3-CB 4.41Å; W505-M508 HydrophobicContact CZ3-CG 4.37Å; W505-M508 CarbonylContact O-C 3.59Å; W505-M508 PolarHBondContact O-N 2.62Å; W505-R509 VanDerWaalsContact O-CG 3.29Å; W505-R509 WeakPolarHBondContact O-CG 3.33Å; W505-R509 PolarHBondContact O-N 3.03Å; W505-I531 HydrophobicContact CB-CG2 4.42Å; W505-I531 HydrophobicContact CD2-CD1 4.08Å; W505-I531 HydrophobicContact CD2-CG2 4.08Å; W505-I531 HydrophobicContact CE3-CD1 4.02Å; W505-I531 HydrophobicContact CE3-CG2 3.72Å; W505-I531 HydrophobicContact CG-CG2 4.38Å; W505-I531 HydrophobicContact CH2-CD1 4Å; W505-I531 HydrophobicContact CZ2-CD1 4.07Å; W505-I531 HydrophobicContact CZ3-CD1 3.98Å; W505-I531 HydrophobicContact CZ3-CG2 4.43Å
506	D	98.2	Very high	96.9	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-43.5	174	-73.8	-2	0	0	0	112.1	G502 V503 M508 R509 C510 P536 S537 L538	G502-D506 PolarHBondContact O-N 3.29Å; V503-D506 PolarHBondContact O-N 2.67Å; D506-M508 VanDerWaalsContact C-N 3.28Å; D506-M508 PolarHBondContact O-N 3.04Å; D506-R509 WeakPolarHBondContact O-CB 3.4Å; D506-R509 PolarHBondContact O-N 3.48Å; D506-R509 VanDerWaalsContact O-N 3.15Å; D506-R509 IonicContact OD1-CZ 3.71Å; D506-R509 IonicContact OD1-NH1 3.49Å; D506-R509 PolarHBondContact OD1-NH1 3.19Å; D506-C510 PolarHBondContact O-N 2.83Å; D506-C510 PolarHBondContact O-SG 3.27Å; D506-C510 VanDerWaalsContact O-SG 3.4Å; D506-P536 HydrophobicContact CB-CB 4.02Å; D506-S537 WeakPolarHBondContact OD2-CB 3.41Å; D506-S537 PolarHBondContact OD2-N 3.47Å; D506-S537 PolarHBondContact OD2-OG 3.01Å; D506-L538 HydrophobicContact CB-CD1 4.19Å; D506-L538 HydrophobicContact CB-CD2 3.95Å; D506-L538 HydrophobicContact CB-CG 3.72Å
507	V	98.3	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-45.3	172.1	172.1	0	0	0	0	110.4	F474 A477 L478 V503 I504 R509 C510 W511 L538 A540 F542	F474-V507 HydrophobicContact CD2-CG1 3.94Å; F474-V507 HydrophobicContact CE2-CB 4.44Å; F474-V507 HydrophobicContact CE2-CG1 3.75Å; A477-V507 HydrophobicContact CB-CG1 3.71Å; A477-V507 HydrophobicContact CB-CG2 4.42Å; L478-V507 HydrophobicContact CD2-CG2 4.18Å; V503-V507 WeakPolarHBondContact O-CG2 3.45Å; V503-V507 PolarHBondContact O-N 3.37Å; I504-V507 PolarHBondContact O-N 2.87Å; V507-R509 PolarHBondContact O-N 3.21Å; V507-C510 PolarHBondContact O-N 3.46Å; V507-W511 PolarHBondContact O-N 3.45Å; V507-L538 HydrophobicContact CG2-CD1 4.38Å; V507-A540 HydrophobicContact CB-CB 4.37Å; V507-A540 HydrophobicContact CG1-CB 4.34Å; V507-A540 HydrophobicContact CG2-CB 4.1Å; V507-F542 HydrophobicContact CG1-CE1 3.85Å; V507-F542 HydrophobicContact CG1-CZ 3.97Å; V507-F542 WeakPolarHBondContact O-CZ 3.36Å
508	M	98.1	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-33.8	178	-67.1	-58.8	-55.8	0	0	113.3	L460 I464 F474 I504 W505 D506 W511 E512	L460-M508 HydrophobicContact CB-CE 4.12Å; L460-M508 HydrophobicContact CB-CG 4.13Å; L460-M508 HydrophobicContact CB-SD 3.98Å; L460-M508 HydrophobicContact CD1-CG 4.41Å; L460-M508 HydrophobicContact CD1-SD 4.39Å; I464-M508 HydrophobicContact CD1-CB 4Å; I464-M508 HydrophobicContact CD1-CE 3.9Å; I464-M508 HydrophobicContact CG1-CE 4.41Å; F474-M508 HydrophobicContact CD2-SD 3.98Å; F474-M508 HydrophobicContact CE2-CG 4.18Å; F474-M508 HydrophobicContact CE2-SD 3.53Å; F474-M508 VanDerWaalsContact CE2-SD 3.53Å; I504-M508 WeakPolarHBondContact O-CG 3.27Å; I504-M508 PolarHBondContact O-N 3.29Å; I504-M508 VanDerWaalsContact O-N 3.16Å; W505-M508 HydrophobicContact CE3-CB 4.06Å; W505-M508 HydrophobicContact CE3-CG 4.26Å; W505-M508 HydrophobicContact CZ3-CB 4.41Å; W505-M508 HydrophobicContact CZ3-CG 4.37Å; W505-M508 CarbonylContact O-C 3.59Å; W505-M508 PolarHBondContact O-N 2.62Å; D506-M508 VanDerWaalsContact C-N 3.28Å; D506-M508 PolarHBondContact O-N 3.04Å; M508-W511 WeakPolarHBondContact O-CB 3.44Å; M508-W511 PolarHBondContact O-N 3.28Å; M508-E512 PolarHBondContact O-N 3.31Å
509	R	97.6	Very high	96	Very high	18 Å²	18	38.8 Å²	38.8	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-44.1	173.1	-72.7	168.3	-171.4	148.4	19.3	111.4	W505 D506 V507 W511 E512 K513 I531 L532 T534 P536	W505-R509 VanDerWaalsContact O-CG 3.29Å; W505-R509 WeakPolarHBondContact O-CG 3.33Å; W505-R509 PolarHBondContact O-N 3.03Å; D506-R509 WeakPolarHBondContact O-CB 3.4Å; D506-R509 PolarHBondContact O-N 3.48Å; D506-R509 VanDerWaalsContact O-N 3.15Å; D506-R509 IonicContact OD1-CZ 3.71Å; D506-R509 IonicContact OD1-NH1 3.49Å; D506-R509 PolarHBondContact OD1-NH1 3.19Å; V507-R509 PolarHBondContact O-N 3.21Å; R509-W511 VanDerWaalsContact C-N 3.3Å; R509-W511 PolarHBondContact O-N 3.05Å; R509-E512 PolarHBondContact O-N 3.06Å; R509-K513 PolarHBondContact O-N 3.06Å; R509-I531 PolarHBondContact NE-O 2.96Å; R509-L532 HydrophobicContact CG-CD2 4.5Å; R509-T534 WeakPolarHBondContact CD-O 3.21Å; R509-T534 PolarHBondContact NE-O 3.28Å; R509-P536 HydrophobicContact CB-CB 4.05Å; R509-P536 HydrophobicContact CB-CG 4.32Å
510	C	97.8	Very high	95.7	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.088	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-40.4	173.6	-69.4	0	0	0	0	111.5	D506 V507 K513 T514 L538 A540 F542	D506-C510 PolarHBondContact O-N 2.83Å; D506-C510 PolarHBondContact O-SG 3.27Å; D506-C510 VanDerWaalsContact O-SG 3.4Å; V507-C510 PolarHBondContact O-N 3.46Å; C510-K513 PolarHBondContact O-N 3.04Å; C510-T514 PolarHBondContact O-N 3.18Å; C510-L538 PolarHBondContact SG-O 3.27Å; C510-A540 HydrophobicContact CB-CB 3.63Å; C510-A540 PolarHBondContact SG-N 2.82Å; C510-F542 HydrophobicContact CB-CE2 4.13Å; C510-F542 HydrophobicContact CB-CZ 4.38Å
511	W	97.6	Very high	95.4	Very high	22 Å²	22	49.9 Å²	49.9	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-47.1	174.4	-177.1	-103.3	0	0	0	111.5	S467 P469 V507 M508 R509 K513 T514 N515 F542	S467-W511 PolarHBondContact O-NE1 2.9Å; P469-W511 VanDerWaalsContact CA-CZ2 3.45Å; P469-W511 HydrophobicContact CB-CD2 3.75Å; P469-W511 HydrophobicContact CB-CE3 3.9Å; P469-W511 HydrophobicContact CB-CG 4.43Å; P469-W511 HydrophobicContact CB-CH2 3.82Å; P469-W511 HydrophobicContact CB-CZ2 3.69Å; P469-W511 HydrophobicContact CB-CZ3 3.92Å; P469-W511 HydrophobicContact CG-CD2 4.16Å; P469-W511 HydrophobicContact CG-CG 4.33Å; V507-W511 PolarHBondContact O-N 3.45Å; M508-W511 WeakPolarHBondContact O-CB 3.44Å; M508-W511 PolarHBondContact O-N 3.28Å; R509-W511 VanDerWaalsContact C-N 3.3Å; R509-W511 PolarHBondContact O-N 3.05Å; W511-K513 VanDerWaalsContact C-N 3.32Å; W511-K513 PolarHBondContact O-N 3.48Å; W511-T514 PolarHBondContact O-N 2.79Å; W511-T514 VanDerWaalsContact O-N 3.09Å; W511-T514 PolarHBondContact O-OG1 3.34Å; W511-N515 WeakPolarHBondContact CZ2-ND2 2.93Å; W511-N515 PolarHBondContact O-N 3.22Å; W511-F542 HydrophobicContact CB-CE1 4.17Å; W511-F542 HydrophobicContact CB-CE2 4.37Å; W511-F542 HydrophobicContact CB-CZ 3.68Å; W511-F542 HydrophobicContact CD2-CE1 4.38Å; W511-F542 HydrophobicContact CD2-CZ 4.49Å; W511-F542 AromaticContact CE3-CD1 3.67Å; W511-F542 HydrophobicContact CE3-CD1 3.67Å; W511-F542 HydrophobicContact CE3-CD2 4.11Å; W511-F542 AromaticContact CE3-CE1 3.65Å; W511-F542 HydrophobicContact CE3-CE1 3.65Å; W511-F542 HydrophobicContact CE3-CE2 4.09Å; W511-F542 AromaticContact CE3-CG 3.91Å; W511-F542 HydrophobicContact CE3-CG 3.91Å; W511-F542 AromaticContact CE3-CZ 3.86Å; W511-F542 HydrophobicContact CE3-CZ 3.86Å; W511-F542 HydrophobicContact CG-CZ 4.48Å; W511-F542 HydrophobicContact CZ3-CB 4.48Å; W511-F542 HydrophobicContact CZ3-CD1 4.02Å; W511-F542 HydrophobicContact CZ3-CE1 4.44Å; W511-F542 HydrophobicContact CZ3-CG 4.1Å
512	E	96.2	Very high	95.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-35.9	177.9	-170.1	-85.6	162.7	0	0	112.7	I464 M508 R509 T514 N515 P516 V517 R519 L532	I464-E512 HydrophobicContact CD1-CB 4.42Å; M508-E512 PolarHBondContact O-N 3.31Å; R509-E512 PolarHBondContact O-N 3.06Å; E512-T514 PolarHBondContact O-N 2.52Å; E512-N515 CarbonylContact O-C 3.55Å; E512-N515 PolarHBondContact O-N 2.95Å; E512-P516 WeakPolarHBondContact O-CA 3.41Å; E512-V517 HydrophobicContact CG-CG1 3.99Å; E512-V517 HydrophobicContact CG-CG2 4.08Å; E512-V517 WeakPolarHBondContact OE1-CG2 3.43Å; E512-V517 PolarHBondContact OE1-N 3.31Å; E512-R519 IonicContact OE1-NE 3.57Å; E512-R519 PolarHBondContact OE1-NE 2.93Å; E512-R519 IonicContact OE1-NH2 3.61Å; E512-R519 IonicContact OE2-CZ 3.56Å; E512-R519 IonicContact OE2-NE 3.45Å; E512-R519 IonicContact OE2-NH2 2.72Å; E512-R519 PolarHBondContact OE2-NH2 2.88Å; E512-L532 HydrophobicContact CB-CD2 4.02Å; E512-L532 HydrophobicContact CG-CD1 4.28Å; E512-L532 HydrophobicContact CG-CD2 3.91Å
513	K	94.2	Very high	95	Very high	111 Å²	111	52.6 Å²	52.6	48%	0.483	26%	0.263	S	S	.	.	H	α-helix	trans	-57.3	-36.1	173.7	-72.1	-177.6	178.3	-173.2	0	112.8	R509 C510 W511 E535	R509-K513 PolarHBondContact O-N 3.06Å; C510-K513 PolarHBondContact O-N 3.04Å; W511-K513 VanDerWaalsContact C-N 3.32Å; W511-K513 PolarHBondContact O-N 3.48Å; K513-E535 WeakPolarHBondContact CE-OE2 3.4Å; K513-E535 IonicContact NZ-OE2 2.89Å; K513-E535 PolarHBondContact NZ-OE2 3.01Å
514	T	92.7	Very high	94.7	Very high	92 Å²	92	58.4 Å²	58.4	56%	0.564	29%	0.289	S	S	*	.	H	α-helix	trans	-85.1	-19.7	176	62.9	0	0	0	0	113.4	C510 W511 E512	C510-T514 PolarHBondContact O-N 3.18Å; W511-T514 PolarHBondContact O-N 2.79Å; W511-T514 VanDerWaalsContact O-N 3.09Å; W511-T514 PolarHBondContact O-OG1 3.34Å; E512-T514 PolarHBondContact O-N 2.52Å
515	N	93.4	Very high	94.4	Very high	55 Å²	55	63.4 Å²	63.4	29%	0.294	32%	0.319	S	S	.	.	S	Bend	trans	-134.2	70.1	-176.9	-70.4	-94.5	0	0	0	109.8	S467 W511 E512	S467-N515 WeakPolarHBondContact OG-CB 3.42Å; S467-N515 PolarHBondContact OG-OD1 3.16Å; W511-N515 WeakPolarHBondContact CZ2-ND2 2.93Å; W511-N515 PolarHBondContact O-N 3.22Å; E512-N515 CarbonylContact O-C 3.55Å; E512-N515 PolarHBondContact O-N 2.95Å
516	P	92.1	Very high	94.3	Very high	104 Å²	104	64.3 Å²	64.3	68%	0.675	33%	0.326	S	S	*	.			trans	-66.6	140.5	-163.4	24.3	-34.4	0	0	0	113	E512	E512-P516 WeakPolarHBondContact O-CA 3.41Å
517	V	93.3	Very high	94.2	Very high	21 Å²	21	65.6 Å²	65.6	13%	0.127	33%	0.334	C	S	.	.			trans	-93.3	159.2	172.2	-56.7	0	0	0	0	111	H465 C466 E512 R519 L522 L532	H465-V517 WeakPolarHBondContact O-CG1 2.95Å; C466-V517 HydrophobicContact CB-CG1 3.61Å; E512-V517 HydrophobicContact CG-CG1 3.99Å; E512-V517 HydrophobicContact CG-CG2 4.08Å; E512-V517 WeakPolarHBondContact OE1-CG2 3.43Å; E512-V517 PolarHBondContact OE1-N 3.31Å; V517-R519 VanDerWaalsContact C-N 3.27Å; V517-R519 HydrophobicContact CG2-CG 4.06Å; V517-R519 PolarHBondContact O-N 2.93Å; V517-L522 HydrophobicContact CG2-CD1 4.23Å; V517-L532 HydrophobicContact CG2-CD1 3.56Å
518	K	92	Very high	94.2	Very high	133 Å²	133	65.6 Å²	65.6	58%	0.578	34%	0.335	S	S	*	.			trans	-75.1	79.4	174.6	-65.1	-173.6	-178.3	-174.6	0	110.2	E520 K521	K518-E520 WeakPolarHBondContact CA-OE2 2.65Å; K518-E520 WeakPolarHBondContact CB-OE1 2.91Å; K518-E520 PolarHBondContact O-N 3.18Å; K518-K521 HydrophobicContact CB-CD 4.06Å; K518-K521 HydrophobicContact CB-CG 4.09Å; K518-K521 HydrophobicContact CD-CD 4.2Å; K518-K521 WeakPolarHBondContact O-CB 3.08Å; K518-K521 PolarHBondContact O-N 2.79Å
519	R	90.8	Very high	94.1	Very high	105 Å²	105	68.6 Å²	68.6	40%	0.396	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-56.8	-31.5	-173.8	-67.8	-173.8	175	-142.1	0.8	112.8	E512 V517 K521 L522 L532	E512-R519 IonicContact OE1-NE 3.57Å; E512-R519 PolarHBondContact OE1-NE 2.93Å; E512-R519 IonicContact OE1-NH2 3.61Å; E512-R519 IonicContact OE2-CZ 3.56Å; E512-R519 IonicContact OE2-NE 3.45Å; E512-R519 IonicContact OE2-NH2 2.72Å; E512-R519 PolarHBondContact OE2-NH2 2.88Å; V517-R519 VanDerWaalsContact C-N 3.27Å; V517-R519 HydrophobicContact CG2-CG 4.06Å; V517-R519 PolarHBondContact O-N 2.93Å; R519-K521 PolarHBondContact O-N 2.84Å; R519-K521 VanDerWaalsContact O-N 3.16Å; R519-L522 WeakPolarHBondContact O-CB 3.38Å; R519-L522 PolarHBondContact O-N 3.14Å; R519-L522 VanDerWaalsContact O-N 3.07Å; R519-L532 PolarHBondContact NH1-O 2.83Å
520	E	90.8	Very high	94.1	Very high	149 Å²	149	72.8 Å²	72.8	70%	0.696	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-62.1	-18.8	176.1	69.4	-79.7	-175.6	0	0	113.9	K518	K518-E520 WeakPolarHBondContact CA-OE2 2.65Å; K518-E520 WeakPolarHBondContact CB-OE1 2.91Å; K518-E520 PolarHBondContact O-N 3.18Å
521	K	91.8	Very high	94.1	Very high	156 Å²	156	72.1 Å²	72.1	68%	0.678	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-91.7	-5.7	177.3	-60.2	-169.9	176.9	-167.1	0	113.5	K518 R519	K518-K521 HydrophobicContact CB-CD 4.06Å; K518-K521 HydrophobicContact CB-CG 4.09Å; K518-K521 HydrophobicContact CD-CD 4.2Å; K518-K521 WeakPolarHBondContact O-CB 3.08Å; K518-K521 PolarHBondContact O-N 2.79Å; R519-K521 PolarHBondContact O-N 2.84Å; R519-K521 VanDerWaalsContact O-N 3.16Å
522	L	92.8	Very high	94	Very high	28 Å²	28	71.4 Å²	71.4	15%	0.147	36%	0.36	C	S	.	.	S	Bend	trans	-86.3	127.9	-177.1	-57.4	-179.1	0	0	0	110.1	V517 R519 A528 F529 L532	V517-L522 HydrophobicContact CG2-CD1 4.23Å; R519-L522 WeakPolarHBondContact O-CB 3.38Å; R519-L522 PolarHBondContact O-N 3.14Å; R519-L522 VanDerWaalsContact O-N 3.07Å; L522-A528 HydrophobicContact CD1-CB 3.99Å; L522-A528 HydrophobicContact CD2-CB 3.97Å; L522-F529 HydrophobicContact CB-CB 4.15Å; L522-F529 HydrophobicContact CB-CD2 4.34Å; L522-L532 HydrophobicContact CD1-CD1 3.95Å
523	S	93.4	Very high	94	Very high	66 Å²	66	74.6 Å²	74.6	46%	0.462	38%	0.382	S	S	.	.			trans	-64.7	139.5	170.2	174.5	0	0	0	0	110.3	T525 S526 F529	S523-T525 PolarHBondContact O-N 3.32Å; S523-T525 VanDerWaalsContact O-N 3.11Å; S523-T525 PolarHBondContact OG-N 2.99Å; S523-T525 PolarHBondContact OG-OG1 2.61Å; S523-S526 VanDerWaalsContact O-CB 3.25Å; S523-S526 WeakPolarHBondContact O-CB 3.47Å; S523-S526 PolarHBondContact O-N 3.11Å; S523-S526 PolarHBondContact O-OG 3.35Å; S523-F529 WeakPolarHBondContact O-CB 3.35Å
524	Q	92.2	Very high	94	Very high	143 Å²	143	72.8 Å²	72.8	67%	0.668	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23	176.3	-65.4	-177.6	1.9	0	0	113.7	F529	Q524-F529 HydrophobicContact CB-CD1 4.27Å; Q524-F529 HydrophobicContact CB-CE1 4.16Å; Q524-F529 HydrophobicContact CB-CZ 4.45Å; Q524-F529 HydrophobicContact CG-CE1 4.14Å; Q524-F529 HydrophobicContact CG-CE2 4.16Å; Q524-F529 HydrophobicContact CG-CZ 3.93Å; Q524-F529 WeakPolarHBondContact O-CD1 3.39Å
525	T	91.5	Very high	94.1	Very high	106 Å²	106	74.6 Å²	74.6	65%	0.65	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.6	176.5	59.2	0	0	0	0	113.4	S523	S523-T525 PolarHBondContact O-N 3.32Å; S523-T525 VanDerWaalsContact O-N 3.11Å; S523-T525 PolarHBondContact OG-N 2.99Å; S523-T525 PolarHBondContact OG-OG1 2.61Å
526	S	95.4	Very high	94.2	Very high	20 Å²	20	73.1 Å²	73.1	14%	0.14	38%	0.376	C	S	.	.	S	Bend	trans	-74.5	147.3	-178.2	70.9	0	0	0	0	111.7	S523 A528 F529 K530	S523-S526 VanDerWaalsContact O-CB 3.25Å; S523-S526 WeakPolarHBondContact O-CB 3.47Å; S523-S526 PolarHBondContact O-N 3.11Å; S523-S526 PolarHBondContact O-OG 3.35Å; S526-A528 PolarHBondContact O-N 3.21Å; S526-F529 PolarHBondContact O-N 2.85Å; S526-F529 WeakPolarHBondContact OG-CB 3.29Å; S526-F529 PolarHBondContact OG-N 3.47Å; S526-K530 PolarHBondContact O-N 2.9Å
527	P	96.8	Very high	94.3	Very high	31 Å²	31	73.4 Å²	73.4	20%	0.201	38%	0.381	C	S	.	.	H	α-helix	trans	-55.6	-40.4	172.2	-26.9	35.3	0	0	0	112.9	C396 Q398 T463 F529 K530 I531	C396-P527 HydrophobicContact CB-CB 3.89Å; Q398-P527 HydrophobicContact CG-CG 4.23Å; T463-P527 HydrophobicContact CG2-CB 4.18Å; P527-F529 PolarHBondContact O-N 3.16Å; P527-K530 PolarHBondContact O-N 3.01Å; P527-I531 WeakPolarHBondContact O-CB 3.38Å; P527-I531 WeakPolarHBondContact O-CD1 3.41Å; P527-I531 VanDerWaalsContact O-CG1 3.23Å; P527-I531 WeakPolarHBondContact O-CG1 3.36Å; P527-I531 PolarHBondContact O-N 3.5Å
528	A	97.1	Very high	94.4	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.008	39%	0.386	C	S	.	.	H	α-helix	trans	-54.2	-51.8	177.3	0	0	0	0	0	111.9	T463 L522 S526 K530 I531 L532	T463-A528 WeakPolarHBondContact O-CB 3.46Å; L522-A528 HydrophobicContact CD1-CB 3.99Å; L522-A528 HydrophobicContact CD2-CB 3.97Å; S526-A528 PolarHBondContact O-N 3.21Å; A528-K530 PolarHBondContact O-N 2.82Å; A528-I531 PolarHBondContact O-N 2.86Å; A528-L532 WeakPolarHBondContact O-CB 3.37Å; A528-L532 VanDerWaalsContact O-CG 3.3Å; A528-L532 WeakPolarHBondContact O-CG 3.45Å; A528-L532 PolarHBondContact O-N 3.37Å
529	F	96.8	Very high	94.6	Very high	63 Å²	63	77 Å²	77	28%	0.276	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-47.9	-179.2	-178.8	-88.5	0	0	0	111.5	L522 S523 Q524 S526 P527 I531 L532 S533	L522-F529 HydrophobicContact CB-CB 4.15Å; L522-F529 HydrophobicContact CB-CD2 4.34Å; S523-F529 WeakPolarHBondContact O-CB 3.35Å; Q524-F529 HydrophobicContact CB-CD1 4.27Å; Q524-F529 HydrophobicContact CB-CE1 4.16Å; Q524-F529 HydrophobicContact CB-CZ 4.45Å; Q524-F529 HydrophobicContact CG-CE1 4.14Å; Q524-F529 HydrophobicContact CG-CE2 4.16Å; Q524-F529 HydrophobicContact CG-CZ 3.93Å; Q524-F529 WeakPolarHBondContact O-CD1 3.39Å; S526-F529 PolarHBondContact O-N 2.85Å; S526-F529 WeakPolarHBondContact OG-CB 3.29Å; S526-F529 PolarHBondContact OG-N 3.47Å; P527-F529 PolarHBondContact O-N 3.16Å; F529-I531 PolarHBondContact O-N 3.13Å; F529-L532 PolarHBondContact O-N 3.28Å; F529-S533 WeakPolarHBondContact CE1-OG 3.25Å; F529-S533 WeakPolarHBondContact O-CB 3.4Å; F529-S533 PolarHBondContact O-N 3.38Å; F529-S533 PolarHBondContact O-OG 3.03Å
530	K	97	Very high	94.9	Very high	105 Å²	105	72.7 Å²	72.7	46%	0.457	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-44.6	-179.1	-70.4	-69.7	-176.5	176.5	0	112.2	S526 P527 A528 S533	S526-K530 PolarHBondContact O-N 2.9Å; P527-K530 PolarHBondContact O-N 3.01Å; A528-K530 PolarHBondContact O-N 2.82Å; K530-S533 PolarHBondContact O-N 2.98Å
531	I	97.4	Very high	95.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-45.1	179.4	-68.4	164.3	0	0	0	111.1	C361 H395 C396 T463 I464 W505 R509 P527 A528 F529 S533	C361-I531 HydrophobicContact CB-CD1 3.8Å; H395-I531 HydrophobicContact CB-CG1 4.49Å; H395-I531 WeakPolarHBondContact O-CG1 3.36Å; C396-I531 HydrophobicContact CB-CD1 4.23Å; C396-I531 HydrophobicContact CB-CG1 4.08Å; T463-I531 HydrophobicContact CG2-CD1 3.92Å; I464-I531 HydrophobicContact CG2-CB 4.2Å; I464-I531 HydrophobicContact CG2-CD1 4.1Å; I464-I531 HydrophobicContact CG2-CG2 3.89Å; W505-I531 HydrophobicContact CB-CG2 4.42Å; W505-I531 HydrophobicContact CD2-CD1 4.08Å; W505-I531 HydrophobicContact CD2-CG2 4.08Å; W505-I531 HydrophobicContact CE3-CD1 4.02Å; W505-I531 HydrophobicContact CE3-CG2 3.72Å; W505-I531 HydrophobicContact CG-CG2 4.38Å; W505-I531 HydrophobicContact CH2-CD1 4Å; W505-I531 HydrophobicContact CZ2-CD1 4.07Å; W505-I531 HydrophobicContact CZ3-CD1 3.98Å; W505-I531 HydrophobicContact CZ3-CG2 4.43Å; R509-I531 PolarHBondContact NE-O 2.96Å; P527-I531 WeakPolarHBondContact O-CB 3.38Å; P527-I531 WeakPolarHBondContact O-CD1 3.41Å; P527-I531 VanDerWaalsContact O-CG1 3.23Å; P527-I531 WeakPolarHBondContact O-CG1 3.36Å; P527-I531 PolarHBondContact O-N 3.5Å; A528-I531 PolarHBondContact O-N 2.86Å; F529-I531 PolarHBondContact O-N 3.13Å; I531-S533 VanDerWaalsContact C-N 3.32Å
532	L	96.6	Very high	95.4	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-80.5	-11.1	-175.7	-64.3	177.4	0	0	0	113.9	I464 R509 E512 V517 R519 L522 A528 F529 T534	I464-L532 HydrophobicContact CB-CD1 4.3Å; I464-L532 HydrophobicContact CB-CD2 4.39Å; I464-L532 HydrophobicContact CB-CG 4.36Å; I464-L532 HydrophobicContact CD1-CD2 4.21Å; I464-L532 HydrophobicContact CG2-CD2 4.49Å; I464-L532 HydrophobicContact CG2-CG 4.44Å; R509-L532 HydrophobicContact CG-CD2 4.5Å; E512-L532 HydrophobicContact CB-CD2 4.02Å; E512-L532 HydrophobicContact CG-CD1 4.28Å; E512-L532 HydrophobicContact CG-CD2 3.91Å; V517-L532 HydrophobicContact CG2-CD1 3.56Å; R519-L532 PolarHBondContact NH1-O 2.83Å; L522-L532 HydrophobicContact CD1-CD1 3.95Å; A528-L532 WeakPolarHBondContact O-CB 3.37Å; A528-L532 VanDerWaalsContact O-CG 3.3Å; A528-L532 WeakPolarHBondContact O-CG 3.45Å; A528-L532 PolarHBondContact O-N 3.37Å; F529-L532 PolarHBondContact O-N 3.28Å; L532-T534 VanDerWaalsContact C-N 3.29Å
533	S	95.3	Very high	95.6	Very high	71 Å²	71	65.6 Å²	65.6	50%	0.497	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-12.6	174.2	-62.6	0	0	0	0	113.1	F529 K530 I531	F529-S533 WeakPolarHBondContact CE1-OG 3.25Å; F529-S533 WeakPolarHBondContact O-CB 3.4Å; F529-S533 PolarHBondContact O-N 3.38Å; F529-S533 PolarHBondContact O-OG 3.03Å; K530-S533 PolarHBondContact O-N 2.98Å; I531-S533 VanDerWaalsContact C-N 3.32Å
534	T	95.1	Very high	95.8	Very high	73 Å²	73	66.1 Å²	66.1	45%	0.448	37%	0.367	S	S	.	.	S	Bend	trans	-96.3	132.1	176.2	-51.8	0	0	0	0	109.2	R509 L532	R509-T534 WeakPolarHBondContact CD-O 3.21Å; R509-T534 PolarHBondContact NE-O 3.28Å; L532-T534 VanDerWaalsContact C-N 3.29Å
535	E	94.4	Very high	95.9	Very high	130 Å²	130	62.9 Å²	62.9	61%	0.607	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-68.5	142.5	171.8	-73.8	-64.1	147.7	0	0	110.6	K513	K513-E535 WeakPolarHBondContact CE-OE2 3.4Å; K513-E535 IonicContact NZ-OE2 2.89Å; K513-E535 PolarHBondContact NZ-OE2 3.01Å
536	P	95.4	Very high	95.8	Very high	24 Å²	24	66 Å²	66	16%	0.156	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-67.7	140	175.4	29.6	-32.5	0	0	0	110.5	D506 R509 L538	D506-P536 HydrophobicContact CB-CB 4.02Å; R509-P536 HydrophobicContact CB-CB 4.05Å; R509-P536 HydrophobicContact CB-CG 4.32Å; P536-L538 VanDerWaalsContact C-N 3.34Å
537	S	94.9	Very high	95.6	Very high	111 Å²	111	68.9 Å²	68.9	78%	0.776	37%	0.369	S	S	*	.	S	Bend	trans	-82.8	-14.1	177.6	71.2	0	0	0	0	113.6	D506	D506-S537 WeakPolarHBondContact OD2-CB 3.41Å; D506-S537 PolarHBondContact OD2-N 3.47Å; D506-S537 PolarHBondContact OD2-OG 3.01Å
538	L	95.4	Very high	95.2	Very high	43 Å²	43	67.4 Å²	67.4	23%	0.225	36%	0.36	C	S	.	.	S	Bend	trans	-125.7	161.5	175.6	65.9	85.7	0	0	0	111	V503 D506 V507 C510 P536 A540	V503-L538 HydrophobicContact CB-CD2 4.25Å; V503-L538 HydrophobicContact CG1-CD2 3.83Å; V503-L538 HydrophobicContact CG2-CD2 4.07Å; D506-L538 HydrophobicContact CB-CD1 4.19Å; D506-L538 HydrophobicContact CB-CD2 3.95Å; D506-L538 HydrophobicContact CB-CG 3.72Å; V507-L538 HydrophobicContact CG2-CD1 4.38Å; C510-L538 PolarHBondContact SG-O 3.27Å; P536-L538 VanDerWaalsContact C-N 3.34Å; L538-A540 HydrophobicContact CD1-CB 3.95Å
539	E	95.5	Very high	95	Very high	186 Å²	186	69 Å²	69	87%	0.869	37%	0.368	S	S	*	.			trans	-103.8	115.9	169.3	-172	173.9	-173.1	0	0	109.9
540	A	96.6	Very high	94.8	Very high	15 Å²	15	66.7 Å²	66.7	12%	0.124	36%	0.36	C	S	.	.			trans	-86.2	129.7	-175.3	0	0	0	0	0	112.6	A477 V507 C510 L538 F542	A477-A540 HydrophobicContact CB-CB 4.36Å; V507-A540 HydrophobicContact CB-CB 4.37Å; V507-A540 HydrophobicContact CG1-CB 4.34Å; V507-A540 HydrophobicContact CG2-CB 4.1Å; C510-A540 HydrophobicContact CB-CB 3.63Å; C510-A540 PolarHBondContact SG-N 2.82Å; L538-A540 HydrophobicContact CD1-CB 3.95Å; A540-F542 HydrophobicContact CB-CE2 3.85Å; A540-F542 HydrophobicContact CB-CZ 3.9Å
541	C	97.1	Very high	94.6	Very high	52 Å²	52	67.2 Å²	67.2	35%	0.351	36%	0.364	S	S	.	.			trans	-96	113.9	174.8	-179.8	0	0	0	0	111.5	A477 H480	A477-C541 WeakPolarHBondContact CA-O 3.41Å; A477-C541 PolarHBondContact N-O 2.97Å; H480-C541 HydrophobicContact CB-CB 4.04Å; H480-C541 PolarHBondContact CD2-O 2.95Å
542	F	96.9	Very high	94.3	Very high	32 Å²	32	67.3 Å²	67.3	14%	0.14	36%	0.364	C	S	.	.			trans	-90.9	4.5	-178.8	-63.9	-82.9	0	0	0	114.3	Q473 A477 V507 C510 W511 A540 V544	Q473-F542 HydrophobicContact CB-CB 4.44Å; Q473-F542 HydrophobicContact CB-CD1 4.37Å; A477-F542 HydrophobicContact CB-CD1 3.81Å; A477-F542 HydrophobicContact CB-CE1 3.76Å; A477-F542 HydrophobicContact CB-CG 4.49Å; A477-F542 HydrophobicContact CB-CZ 4.39Å; V507-F542 HydrophobicContact CG1-CE1 3.85Å; V507-F542 HydrophobicContact CG1-CZ 3.97Å; V507-F542 WeakPolarHBondContact O-CZ 3.36Å; C510-F542 HydrophobicContact CB-CE2 4.13Å; C510-F542 HydrophobicContact CB-CZ 4.38Å; W511-F542 HydrophobicContact CB-CE1 4.17Å; W511-F542 HydrophobicContact CB-CE2 4.37Å; W511-F542 HydrophobicContact CB-CZ 3.68Å; W511-F542 HydrophobicContact CD2-CE1 4.38Å; W511-F542 HydrophobicContact CD2-CZ 4.49Å; W511-F542 AromaticContact CE3-CD1 3.67Å; W511-F542 HydrophobicContact CE3-CD1 3.67Å; W511-F542 HydrophobicContact CE3-CD2 4.11Å; W511-F542 AromaticContact CE3-CE1 3.65Å; W511-F542 HydrophobicContact CE3-CE1 3.65Å; W511-F542 HydrophobicContact CE3-CE2 4.09Å; W511-F542 AromaticContact CE3-CG 3.91Å; W511-F542 HydrophobicContact CE3-CG 3.91Å; W511-F542 AromaticContact CE3-CZ 3.86Å; W511-F542 HydrophobicContact CE3-CZ 3.86Å; W511-F542 HydrophobicContact CG-CZ 4.48Å; W511-F542 HydrophobicContact CZ3-CB 4.48Å; W511-F542 HydrophobicContact CZ3-CD1 4.02Å; W511-F542 HydrophobicContact CZ3-CE1 4.44Å; W511-F542 HydrophobicContact CZ3-CG 4.1Å; A540-F542 HydrophobicContact CB-CE2 3.85Å; A540-F542 HydrophobicContact CB-CZ 3.9Å; F542-V544 PolarHBondContact O-N 2.84Å
543	T	97.1	Very high	94.1	Very high	100 Å²	100	71.9 Å²	71.9	61%	0.613	38%	0.381	S	S	*	.	S	Bend	trans	-62.1	121.8	176	-58.1	0	0	0	0	109.7	S476 H480 R545	S476-T543 WeakPolarHBondContact CB-O 3.37Å; H480-T543 PolarHBondContact NE2-O 3.4Å; H480-T543 VanDerWaalsContact NE2-O 3.17Å; T543-R545 PolarHBondContact O-N 3.45Å
544	V	96.8	Very high	93.9	Very high	77 Å²	77	72.2 Å²	72.2	47%	0.467	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-64	120.2	-174.5	179.1	0	0	0	0	110.2	L472 Q473 S476 F542	L472-V544 HydrophobicContact CB-CG1 4.19Å; L472-V544 HydrophobicContact CB-CG2 4.41Å; L472-V544 HydrophobicContact CD1-CG1 4.37Å; Q473-V544 HydrophobicContact CG-CG2 4Å; S476-V544 WeakPolarHBondContact OG-CA 3.45Å; F542-V544 PolarHBondContact O-N 2.84Å
545	R	93.8	Very high	93.8	Very high	75 Å²	75	75.7 Å²	75.7	28%	0.283	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-79.7	154	174.4	-64.6	169.8	56	140.1	-6.8	111.4	S476 L479 H480 T543 D547 A548	S476-R545 PolarHBondContact OG-N 3.43Å; L479-R545 PolarHBondContact O-NH1 3Å; H480-R545 VanDerWaalsContact CE1-CG 3.45Å; H480-R545 WeakPolarHBondContact CE1-CG 3.45Å; H480-R545 WeakPolarHBondContact NE2-CG 3.23Å; T543-R545 PolarHBondContact O-N 3.45Å; R545-D547 VanDerWaalsContact C-N 3.33Å; R545-D547 WeakPolarHBondContact CB-OD1 3.38Å; R545-D547 IonicContact CZ-OD1 2.61Å; R545-D547 IonicContact CZ-OD2 3.29Å; R545-D547 IonicContact NE-OD1 2.75Å; R545-D547 PolarHBondContact NE-OD1 2.99Å; R545-D547 IonicContact NE-OD2 3.71Å; R545-D547 IonicContact NH2-OD1 3.55Å; R545-D547 IonicContact NH2-OD2 3.51Å; R545-D547 PolarHBondContact NH2-OD2 3.41Å; R545-D547 PolarHBondContact O-N 2.81Å; R545-A548 HydrophobicContact CB-CB 4.18Å; R545-A548 VanDerWaalsContact O-CB 3.24Å; R545-A548 WeakPolarHBondContact O-CB 3.32Å; R545-A548 PolarHBondContact O-N 2.89Å; R545-A548 VanDerWaalsContact O-N 3.16Å
546	E	90.5	Very high	93.6	Very high	171 Å²	171	77.7 Å²	77.7	80%	0.799	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-65.3	-36.2	178.4	-170.9	-179.3	173.3	0	0	113.1	A548 K554	E546-A548 VanDerWaalsContact C-N 3.28Å; E546-A548 PolarHBondContact O-N 2.94Å; E546-K554 PolarHBondContact O-NZ 2.96Å
547	D	90.1	Very high	93.5	Very high	80 Å²	80	77.9 Å²	77.9	43%	0.428	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-80.6	-3.9	176.3	65	-10.6	0	0	0	113.3	R545	R545-D547 VanDerWaalsContact C-N 3.33Å; R545-D547 WeakPolarHBondContact CB-OD1 3.38Å; R545-D547 IonicContact CZ-OD1 2.61Å; R545-D547 IonicContact CZ-OD2 3.29Å; R545-D547 IonicContact NE-OD1 2.75Å; R545-D547 PolarHBondContact NE-OD1 2.99Å; R545-D547 IonicContact NE-OD2 3.71Å; R545-D547 IonicContact NH2-OD1 3.55Å; R545-D547 IonicContact NH2-OD2 3.51Å; R545-D547 PolarHBondContact NH2-OD2 3.41Å; R545-D547 PolarHBondContact O-N 2.81Å
548	A	90.2	Very high	93.4	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-73.7	-24.9	177.8	0	0	0	0	0	112.8	L472 R475 S476 L479 R545 E546 P550	L472-A548 VanDerWaalsContact CD2-O 3.3Å; L472-A548 WeakPolarHBondContact CD2-O 3.36Å; R475-A548 WeakPolarHBondContact CD-O 3.47Å; R475-A548 HydrophobicContact CG-CB 4.27Å; R475-A548 PolarHBondContact NE-O 2.86Å; S476-A548 WeakPolarHBondContact OG-CB 3.36Å; L479-A548 HydrophobicContact CD1-CB 4.05Å; R545-A548 HydrophobicContact CB-CB 4.18Å; R545-A548 VanDerWaalsContact O-CB 3.24Å; R545-A548 WeakPolarHBondContact O-CB 3.32Å; R545-A548 PolarHBondContact O-N 2.89Å; R545-A548 VanDerWaalsContact O-N 3.16Å; E546-A548 VanDerWaalsContact C-N 3.28Å; E546-A548 PolarHBondContact O-N 2.94Å; A548-P550 WeakPolarHBondContact O-CD 3.39Å
549	N	92.5	Very high	93.2	Very high	35 Å²	35	74.4 Å²	74.4	19%	0.187	36%	0.36	C	S	.	.	S	Bend	trans	-96.9	110.6	-179.9	-169.3	19.6	0	0	0	110.4	L472 R553 K554	L472-N549 HydrophobicContact CD1-CB 4.17Å; L472-N549 HydrophobicContact CD2-CB 3.9Å; N549-R553 WeakPolarHBondContact OD1-CB 3.42Å; N549-R553 VanDerWaalsContact OD1-CD 3.31Å; N549-R553 WeakPolarHBondContact OD1-CD 3.33Å; N549-R553 WeakPolarHBondContact OD1-CG 3.23Å; N549-R553 PolarHBondContact OD1-NH1 3.26Å; N549-K554 HydrophobicContact CB-CG 4.18Å; N549-K554 WeakPolarHBondContact ND2-CG 3.06Å; N549-K554 WeakPolarHBondContact O-CE 3.13Å
550	P	92.1	Very high	92.9	Very high	14 Å²	14	68.6 Å²	68.6	9%	0.091	33%	0.332	C	S	.	.			trans	-63	154.2	-177.7	-21.5	34	0	0	0	112.7	E446 L487 A548 S552 R553 K554	E446-P550 HydrophobicContact CG-CB 4.48Å; E446-P550 WeakPolarHBondContact OE2-CB 3.27Å; L487-P550 HydrophobicContact CD1-CG 3.94Å; L487-P550 HydrophobicContact CG-CG 4.26Å; A548-P550 WeakPolarHBondContact O-CD 3.39Å; P550-S552 VanDerWaalsContact C-N 3.33Å; P550-S552 PolarHBondContact O-N 3.4Å; P550-R553 WeakPolarHBondContact O-CB 3.38Å; P550-R553 PolarHBondContact O-N 3.32Å; P550-K554 PolarHBondContact O-N 3.5Å
551	Q	92.1	Very high	92.3	Very high	116 Å²	116	71.2 Å²	71.2	54%	0.542	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-39.5	-174.7	-68	-62.5	-10.1	0	0	112.2	E446 R553 K554 R555	E446-Q551 PolarHBondContact OE1-N 3.16Å; E446-Q551 VanDerWaalsContact OE1-N 3.08Å; Q551-R553 PolarHBondContact O-N 3.16Å; Q551-K554 PolarHBondContact O-N 2.89Å; Q551-R555 WeakPolarHBondContact O-CB 3.22Å; Q551-R555 WeakPolarHBondContact O-CG 3.49Å; Q551-R555 PolarHBondContact O-N 3.1Å
552	S	92.6	Very high	91.3	Very high	2 Å²	2	76.4 Å²	76.4	1%	0.014	36%	0.361	C	S	.	.	H	α-helix	trans	-55.9	-35.1	174.7	69.5	0	0	0	0	112.4	E446 P550 H556 L557	E446-S552 VanDerWaalsContact CD-OG 3.29Å; E446-S552 VanDerWaalsContact OE1-CB 3.3Å; E446-S552 WeakPolarHBondContact OE1-CB 3.36Å; E446-S552 PolarHBondContact OE1-N 2.94Å; E446-S552 PolarHBondContact OE1-OG 3.26Å; E446-S552 WeakPolarHBondContact OE2-CB 3.44Å; E446-S552 PolarHBondContact OE2-OG 3.05Å; P550-S552 VanDerWaalsContact C-N 3.33Å; P550-S552 PolarHBondContact O-N 3.4Å; S552-H556 PolarHBondContact O-N 3.34Å; S552-L557 WeakPolarHBondContact O-CB 3.43Å; S552-L557 PolarHBondContact O-N 3.45Å
553	R	91.8	Very high	90.3	Very high	102 Å²	102	79.9 Å²	79.9	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-80.6	-42.2	177.3	-167.9	170.9	173.8	-85.5	0	111.9	N549 P550 Q551 R555 H556	N549-R553 WeakPolarHBondContact OD1-CB 3.42Å; N549-R553 VanDerWaalsContact OD1-CD 3.31Å; N549-R553 WeakPolarHBondContact OD1-CD 3.33Å; N549-R553 WeakPolarHBondContact OD1-CG 3.23Å; N549-R553 PolarHBondContact OD1-NH1 3.26Å; P550-R553 WeakPolarHBondContact O-CB 3.38Å; P550-R553 PolarHBondContact O-N 3.32Å; Q551-R553 PolarHBondContact O-N 3.16Å; R553-R555 PolarHBondContact O-N 3.07Å; R553-H556 PolarHBondContact O-N 3.29Å; R553-H556 VanDerWaalsContact O-N 3.1Å
554	K	91.1	Very high	88.8	Confident	78 Å²	78	78.4 Å²	78.4	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-58	-38.4	174.3	-72.7	179.4	174.9	172.3	0	111.3	E546 N549 P550 Q551 H556	E546-K554 PolarHBondContact O-NZ 2.96Å; N549-K554 HydrophobicContact CB-CG 4.18Å; N549-K554 WeakPolarHBondContact ND2-CG 3.06Å; N549-K554 WeakPolarHBondContact O-CE 3.13Å; P550-K554 PolarHBondContact O-N 3.5Å; Q551-K554 PolarHBondContact O-N 2.89Å; K554-H556 VanDerWaalsContact C-N 3.3Å; K554-H556 PolarHBondContact O-CD2 3.22Å; K554-H556 PolarHBondContact O-N 3.3Å
555	R	92.6	Very high	87.4	Confident	146 Å²	146	81 Å²	81	55%	0.551	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	2	177.6	-67.9	174.7	61.5	-156.9	-9.9	114.4	E438 Q551 R553 L557	E438-R555 IonicContact OE1-CZ 2.8Å; E438-R555 IonicContact OE1-NH2 3.21Å; E438-R555 PolarHBondContact OE1-NH2 3.06Å; Q551-R555 WeakPolarHBondContact O-CB 3.22Å; Q551-R555 WeakPolarHBondContact O-CG 3.49Å; Q551-R555 PolarHBondContact O-N 3.1Å; R553-R555 PolarHBondContact O-N 3.07Å; R555-L557 HydrophobicContact CB-CD2 4.04Å; R555-L557 HydrophobicContact CB-CG 3.97Å; R555-L557 PolarHBondContact O-N 3.39Å
556	H	91.3	Very high	85.6	Confident	173 Å²	173	80.4 Å²	80.4	80%	0.801	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	35.9	-178.3	-60.4	-80.2	0	0	0	114.6	S552 R553 K554	S552-H556 PolarHBondContact O-N 3.34Å; R553-H556 PolarHBondContact O-N 3.29Å; R553-H556 VanDerWaalsContact O-N 3.1Å; K554-H556 VanDerWaalsContact C-N 3.3Å; K554-H556 PolarHBondContact O-CD2 3.22Å; K554-H556 PolarHBondContact O-N 3.3Å
557	L	93.1	Very high	84.3	Confident	28 Å²	28	78 Å²	78	15%	0.147	38%	0.378	C	S	.	.			trans	-66.2	154.8	179.3	-56.4	-176.1	0	0	0	111.5	E438 S442 S552 R555 R559	E438-L557 HydrophobicContact CG-CD1 4.34Å; S442-L557 WeakPolarHBondContact OG-CD1 3.41Å; S552-L557 WeakPolarHBondContact O-CB 3.43Å; S552-L557 PolarHBondContact O-N 3.45Å; R555-L557 HydrophobicContact CB-CD2 4.04Å; R555-L557 HydrophobicContact CB-CG 3.97Å; R555-L557 PolarHBondContact O-N 3.39Å; L557-R559 PolarHBondContact O-N 3.4Å
558	T	91.8	Very high	82.8	Confident	56 Å²	56	76.2 Å²	76.2	34%	0.344	37%	0.366	S	S	.	.			trans	-73.7	74.2	178.1	-50.7	0	0	0	0	111.2	Q561	T558-Q561 HydrophobicContact CG2-CB 4.49Å
559	R	91.1	Very high	81.5	Confident	25 Å²	25	76.8 Å²	76.8	9%	0.094	37%	0.371	C	S	.	.	S	Bend	trans	-68.5	-46.7	-178.9	-70.7	-178.2	61.9	-172.5	-1.4	112.4	M443 L557	M443-R559 HydrophobicContact CE-CB 3.96Å; M443-R559 WeakPolarHBondContact CE-O 3.3Å; M443-R559 HydrophobicContact CG-CB 4.14Å; M443-R559 HydrophobicContact CG-CG 3.76Å; M443-R559 VanDerWaalsContact CG-NE 3.27Å; M443-R559 HydrophobicContact SD-CB 3.55Å; M443-R559 VanDerWaalsContact SD-CB 3.55Å; M443-R559 HydrophobicContact SD-CG 3.85Å; M443-R559 PolarHBondContact SD-NE 3.2Å; L557-R559 PolarHBondContact O-N 3.4Å
560	F	89.6	Confident	79.8	Confident	63 Å²	63	78 Å²	78	28%	0.276	38%	0.381	S	S	.	.	S	Bend	trans	-129.5	114.6	177.3	-60.8	-84.2	0	0	0	107.9	M443 H489 K492 E562	M443-F560 HydrophobicContact CE-CE1 4.38Å; M443-F560 HydrophobicContact CE-CE2 4.29Å; M443-F560 HydrophobicContact CE-CZ 4.1Å; M443-F560 HydrophobicContact SD-CD2 4.39Å; M443-F560 HydrophobicContact SD-CE2 3.63Å; M443-F560 HydrophobicContact SD-CZ 3.73Å; H489-F560 VanDerWaalsContact O-CE1 3.3Å; H489-F560 WeakPolarHBondContact O-CE1 3.49Å; K492-F560 VanDerWaalsContact CA-CZ 3.42Å; K492-F560 HydrophobicContact CB-CD1 4.42Å; K492-F560 HydrophobicContact CB-CD2 4.11Å; K492-F560 HydrophobicContact CB-CE1 4.29Å; K492-F560 HydrophobicContact CB-CE2 3.99Å; K492-F560 HydrophobicContact CB-CG 4.34Å; K492-F560 HydrophobicContact CB-CZ 4.1Å; K492-F560 HydrophobicContact CG-CD2 3.94Å; K492-F560 HydrophobicContact CG-CE2 4.05Å; K492-F560 HydrophobicContact CG-CG 4.47Å; F560-E562 PolarHBondContact O-N 2.92Å
561	Q	83.4	Confident	78.6	Confident	70 Å²	70	81.4 Å²	81.4	33%	0.327	39%	0.394	S	S	.	.			trans	-71.3	129.9	178	-173.8	172.3	28.7	0	0	109.5	T558	T558-Q561 HydrophobicContact CG2-CB 4.49Å
562	E	77.7	Confident	77.1	Confident	162 Å²	162	77.6 Å²	77.6	76%	0.757	38%	0.383	S	S	*	.			trans	-76.4	144.8	168.8	-62.1	-168.4	166.6	0	0	109.8	F560 P564	F560-E562 PolarHBondContact O-N 2.92Å; E562-P564 WeakPolarHBondContact O-CD 3.25Å
563	N	74.9	Confident	75.6	Confident	104 Å²	104	86.4 Å²	86.4	56%	0.556	42%	0.416	S	S	*	.			trans	-54.8	113.2	-178.8	-70.5	-16.3	0	0	0	110.3	Q565 W568	N563-Q565 VanDerWaalsContact C-N 3.31Å; N563-Q565 PolarHBondContact O-N 3.03Å; N563-W568 HydrophobicContact CB-CB 4.24Å; N563-W568 HydrophobicContact CB-CG 4.26Å; N563-W568 VanDerWaalsContact OD1-CD1 3.22Å
564	P	66.4	Low	74	Confident	69 Å²	69	83.3 Å²	83.3	45%	0.448	41%	0.412	S	S	.	.			trans	-75.7	-19	-170.1	28.7	-35.4	0	0	0	113.3	E562 W568	E562-P564 WeakPolarHBondContact O-CD 3.25Å; P564-W568 HydrophobicContact CG-CD2 3.8Å; P564-W568 HydrophobicContact CG-CE3 3.6Å; P564-W568 HydrophobicContact CG-CH2 3.66Å; P564-W568 HydrophobicContact CG-CZ2 3.84Å; P564-W568 HydrophobicContact CG-CZ3 3.54Å
565	Q	66.1	Low	72.3	Confident	133 Å²	133	86.8 Å²	86.8	62%	0.621	43%	0.427	S	S	*	.	S	Bend	trans	-141.9	158.9	-174.6	-65	-176.1	-9.4	0	0	113.2	N563 W568	N563-Q565 VanDerWaalsContact C-N 3.31Å; N563-Q565 PolarHBondContact O-N 3.03Å; Q565-W568 HydrophobicContact CB-CE3 4.5Å; Q565-W568 VanDerWaalsContact O-CB 3.23Å; Q565-W568 WeakPolarHBondContact O-CB 3.41Å; Q565-W568 PolarHBondContact O-N 3.25Å
566	A	57.7	Low	70	Confident	62 Å²	62	85.4 Å²	85.4	51%	0.512	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	146.9	164.2	0	0	0	0	0	110.2	W568	A566-W568 PolarHBondContact O-N 2.9Å
567	F	62.2	Low	68	Low	119 Å²	119	80.8 Å²	80.8	52%	0.522	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	16.2	-174.7	-44.2	-77.4	0	0	0	114.9	G569 K589	F567-G569 PolarHBondContact O-N 2.97Å; F567-K589 HydrophobicContact CE1-CB 4.32Å; F567-K589 HydrophobicContact CE1-CG 3.57Å; F567-K589 HydrophobicContact CZ-CG 3.84Å
568	W	58.2	Low	65.7	Low	44 Å²	44	81.1 Å²	81.1	17%	0.167	46%	0.457	C	S	.	.			trans	-62.4	116.6	172.5	-171.1	-100.7	0	0	0	111	V92 N563 P564 Q565 A566	V92-W568 HydrophobicContact CB-CH2 4.12Å; V92-W568 HydrophobicContact CB-CZ2 3.86Å; V92-W568 HydrophobicContact CG1-CH2 4.46Å; V92-W568 HydrophobicContact CG1-CZ2 3.71Å; V92-W568 HydrophobicContact CG2-CD2 3.54Å; V92-W568 HydrophobicContact CG2-CE3 3.66Å; V92-W568 HydrophobicContact CG2-CG 4.19Å; V92-W568 HydrophobicContact CG2-CH2 3.85Å; V92-W568 HydrophobicContact CG2-CZ2 3.72Å; V92-W568 HydrophobicContact CG2-CZ3 3.81Å; N563-W568 HydrophobicContact CB-CB 4.24Å; N563-W568 HydrophobicContact CB-CG 4.26Å; N563-W568 VanDerWaalsContact OD1-CD1 3.22Å; P564-W568 HydrophobicContact CG-CD2 3.8Å; P564-W568 HydrophobicContact CG-CE3 3.6Å; P564-W568 HydrophobicContact CG-CH2 3.66Å; P564-W568 HydrophobicContact CG-CZ2 3.84Å; P564-W568 HydrophobicContact CG-CZ3 3.54Å; Q565-W568 HydrophobicContact CB-CE3 4.5Å; Q565-W568 VanDerWaalsContact O-CB 3.23Å; Q565-W568 WeakPolarHBondContact O-CB 3.41Å; Q565-W568 PolarHBondContact O-N 3.25Å; A566-W568 PolarHBondContact O-N 2.9Å
569	G	62.6	Low	63.6	Low	11 Å²	11	79.8 Å²	79.8	11%	0.113	45%	0.454	C	S	.	.	S	Bend	trans	165.3	178.4	-179.7	0	0	0	0	0	114.2	F567 K571	F567-G569 PolarHBondContact O-N 2.97Å; G569-K571 PolarHBondContact O-N 3.18Å
570	P	57.8	Low	61.6	Low	60 Å²	60	81.4 Å²	81.4	39%	0.39	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-62.3	128.2	179.3	-20.8	34.5	0	0	0	111.1	F330 R588	F330-P570 HydrophobicContact CB-CG 3.45Å; F330-P570 VanDerWaalsContact CB-CG 3.45Å; F330-P570 HydrophobicContact CD1-CG 4.23Å; F330-P570 HydrophobicContact CD2-CG 3.81Å; F330-P570 HydrophobicContact CG-CG 3.56Å; P570-R588 PolarHBondContact O-NH1 3.06Å; P570-R588 VanDerWaalsContact O-NH1 3.14Å; P570-R588 PolarHBondContact O-NH2 3.38Å
571	K	66.9	Low	59.6	Low	86 Å²	86	80.6 Å²	80.6	37%	0.374	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-80.8	149.7	169.8	-70.4	-175.4	-175.1	179	0	109.9	F88 Y89 G569	F88-K571 HydrophobicContact CD2-CB 4.09Å; F88-K571 HydrophobicContact CE2-CB 3.45Å; F88-K571 VanDerWaalsContact CE2-CB 3.45Å; F88-K571 HydrophobicContact CZ-CB 4.29Å; Y89-K571 WeakPolarHBondContact O-CD 3.45Å; Y89-K571 PolarHBondContact O-NZ 3.12Å; G569-K571 PolarHBondContact O-N 3.18Å
572	A	59.8	Low	58.1	Low	37 Å²	37	82 Å²	82	31%	0.306	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-70.3	151.8	176.6	0	0	0	0	0	110.6
573	R	61.4	Low	56.9	Low	187 Å²	187	79.3 Å²	79.3	71%	0.706	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-61.1	140.6	171.1	-173.1	-178.5	176.9	180	1.3	109.7	Y245	Y245-R573 HydrophobicContact CD1-CB 3.91Å; Y245-R573 HydrophobicContact CD1-CG 4.37Å; Y245-R573 HydrophobicContact CD2-CB 4.42Å; Y245-R573 HydrophobicContact CD2-CG 3.99Å; Y245-R573 HydrophobicContact CE1-CB 4.01Å; Y245-R573 HydrophobicContact CE1-CG 4.39Å; Y245-R573 HydrophobicContact CE2-CG 4.08Å; Y245-R573 HydrophobicContact CG-CB 4.05Å; Y245-R573 HydrophobicContact CG-CG 4.1Å
574	A	58.3	Low	55.9	Low	37 Å²	37	78.2 Å²	78.2	31%	0.306	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-63	136.7	171.6	0	0	0	0	0	110.6
575	K	55.6	Low	55.5	Low	151 Å²	151	78.8 Å²	78.8	66%	0.657	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-77.2	155.7	174.8	-71.6	-172.3	177.4	-175.9	0	110.8	G577 G578	K575-G577 PolarHBondContact O-N 3.36Å; K575-G578 PolarHBondContact O-N 3.08Å
576	A	45.2	Very low	55	Low	117 Å²	117	76.3 Å²	76.3	97%	0.967	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	105.5	166.7	0	0	0	0	0	108.4
577	G	49.2	Very low	55	Low	75 Å²	75	79.4 Å²	79.4	77%	0.773	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.4	-13.7	-172.3	0	0	0	0	0	115.2	K575	K575-G577 PolarHBondContact O-N 3.36Å
578	G	43.4	Very low	54.9	Low	36 Å²	36	79.1 Å²	79.1	37%	0.371	45%	0.449	S	S	.	.	S	Bend	trans	82.3	147.8	-177.4	0	0	0	0	0	112.9	K575	K575-G578 PolarHBondContact O-N 3.08Å
579	G	48.4	Very low	55	Low	28 Å²	28	82.5 Å²	82.5	29%	0.289	47%	0.465	S	S	.	.			trans	105.4	145	174.1	0	0	0	0	0	116.4	N85	N85-G579 PolarHBondContact O-N 3.45Å
580	I	49.2	Very low	54.8	Low	59 Å²	59	87.4 Å²	87.4	30%	0.303	48%	0.483	S	S	.	.			trans	-97.4	128.2	168.7	-58.7	170.2	0	0	0	106.8	T582 Q585	I580-T582 PolarHBondContact O-N 3.18Å; I580-Q585 HydrophobicContact CG2-CG 4.22Å
581	S	47.8	Very low	54.9	Low	45 Å²	45	90.6 Å²	90.6	32%	0.315	49%	0.491	S	S	.	.			trans	-57	125.9	175.8	164.1	0	0	0	0	110.6	D583 L584	S581-D583 PolarHBondContact O-N 3.19Å; S581-L584 PolarHBondContact O-N 3.48Å
582	T	51	Low	54.2	Low	99 Å²	99	89.4 Å²	89.4	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-53.2	-39.1	177	43.6	0	0	0	0	111.8	I580 L584 Q585 D586	I580-T582 PolarHBondContact O-N 3.18Å; T582-L584 VanDerWaalsContact C-N 3.26Å; T582-L584 PolarHBondContact O-N 2.7Å; T582-Q585 PolarHBondContact O-N 3.32Å; T582-Q585 VanDerWaalsContact O-N 3.1Å; T582-D586 PolarHBondContact O-N 3.13Å
583	D	53.1	Low	53.6	Low	106 Å²	106	91.6 Å²	91.6	57%	0.567	49%	0.493	S	S	*	.	H	α-helix	trans	-55.9	-33.9	175.8	-82.7	-30.3	0	0	0	114.3	S581 K587	S581-D583 PolarHBondContact O-N 3.19Å; D583-K587 WeakPolarHBondContact O-CB 3.29Å; D583-K587 VanDerWaalsContact O-CG 3.29Å; D583-K587 WeakPolarHBondContact O-CG 3.34Å; D583-K587 PolarHBondContact O-N 3.37Å
584	L	53.8	Low	53.1	Low	81 Å²	81	88 Å²	88	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-76.7	-34	179.9	-76.2	170.5	0	0	0	112	S581 T582 R588	S581-L584 PolarHBondContact O-N 3.48Å; T582-L584 VanDerWaalsContact C-N 3.26Å; T582-L584 PolarHBondContact O-N 2.7Å; L584-R588 WeakPolarHBondContact O-CB 2.89Å; L584-R588 WeakPolarHBondContact O-CG 3.35Å; L584-R588 PolarHBondContact O-N 3.14Å
585	Q	57.2	Low	52.8	Low	82 Å²	82	98.3 Å²	98.3	38%	0.383	51%	0.514	S	S	.	.	H	α-helix	trans	-68.4	-41.2	174.3	-70.4	-172.9	-3.9	0	0	110.6	I580 T582 R588 K589	I580-Q585 HydrophobicContact CG2-CG 4.22Å; T582-Q585 PolarHBondContact O-N 3.32Å; T582-Q585 VanDerWaalsContact O-N 3.1Å; Q585-R588 WeakPolarHBondContact O-CB 3.12Å; Q585-R588 PolarHBondContact O-N 3.46Å; Q585-K589 WeakPolarHBondContact O-CG 3.47Å; Q585-K589 PolarHBondContact O-N 3.41Å
586	D	57.4	Low	52.4	Low	81 Å²	81	99.6 Å²	99.6	43%	0.433	52%	0.519	S	S	.	.	H	α-helix	trans	-72.9	-35.9	179.7	-66.2	-29	0	0	0	112.5	T582 R588 K589 K590	T582-D586 PolarHBondContact O-N 3.13Å; D586-R588 PolarHBondContact O-N 3.01Å; D586-K589 PolarHBondContact O-N 2.95Å; D586-K589 IonicContact OD1-NZ 2.78Å; D586-K589 PolarHBondContact OD1-NZ 3.28Å; D586-K590 WeakPolarHBondContact O-CB 3.35Å; D586-K590 PolarHBondContact O-N 2.98Å
587	K	57.5	Low	52.6	Low	126 Å²	126	99.3 Å²	99.3	55%	0.548	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-45	167.1	-79.4	175.6	-178.4	172.6	0	111.7	D583 K590 F591	D583-K587 WeakPolarHBondContact O-CB 3.29Å; D583-K587 VanDerWaalsContact O-CG 3.29Å; D583-K587 WeakPolarHBondContact O-CG 3.34Å; D583-K587 PolarHBondContact O-N 3.37Å; K587-K590 PolarHBondContact O-N 3.07Å; K587-F591 WeakPolarHBondContact O-CD2 3.41Å; K587-F591 PolarHBondContact O-N 2.9Å
588	R	59.4	Low	52.5	Low	113 Å²	113	104 Å²	104	43%	0.426	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-45	177.5	-76.9	170.1	-178.8	-146.8	-5.6	111.8	P570 L584 Q585 D586 K590 F591 Q592	P570-R588 PolarHBondContact O-NH1 3.06Å; P570-R588 VanDerWaalsContact O-NH1 3.14Å; P570-R588 PolarHBondContact O-NH2 3.38Å; L584-R588 WeakPolarHBondContact O-CB 2.89Å; L584-R588 WeakPolarHBondContact O-CG 3.35Å; L584-R588 PolarHBondContact O-N 3.14Å; Q585-R588 WeakPolarHBondContact O-CB 3.12Å; Q585-R588 PolarHBondContact O-N 3.46Å; D586-R588 PolarHBondContact O-N 3.01Å; R588-K590 VanDerWaalsContact C-N 3.33Å; R588-K590 PolarHBondContact O-N 3.25Å; R588-F591 PolarHBondContact O-N 3.46Å; R588-Q592 PolarHBondContact O-N 2.9Å; R588-Q592 VanDerWaalsContact O-N 3.16Å
589	K	60.9	Low	53.2	Low	116 Å²	116	105.6 Å²	105.6	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-56.4	-45.8	172.9	-72.5	172.5	-172.3	164	0	111.8	F567 Q585 D586 F591	F567-K589 HydrophobicContact CE1-CB 4.32Å; F567-K589 HydrophobicContact CE1-CG 3.57Å; F567-K589 HydrophobicContact CZ-CG 3.84Å; Q585-K589 WeakPolarHBondContact O-CG 3.47Å; Q585-K589 PolarHBondContact O-N 3.41Å; D586-K589 PolarHBondContact O-N 2.95Å; D586-K589 IonicContact OD1-NZ 2.78Å; D586-K589 PolarHBondContact OD1-NZ 3.28Å; K589-F591 VanDerWaalsContact C-N 3.3Å; K589-F591 PolarHBondContact O-N 3.11Å
590	K	58.1	Low	53.4	Low	114 Å²	114	110.7 Å²	110.7	50%	0.496	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-27.4	-177	-165.7	171.1	-176.4	173.8	0	114	D586 K587 R588 N607	D586-K590 WeakPolarHBondContact O-CB 3.35Å; D586-K590 PolarHBondContact O-N 2.98Å; K587-K590 PolarHBondContact O-N 3.07Å; R588-K590 VanDerWaalsContact C-N 3.33Å; R588-K590 PolarHBondContact O-N 3.25Å; K590-N607 PolarHBondContact NZ-O 3.36Å
591	F	58.6	Low	54	Low	126 Å²	126	111.4 Å²	111.4	55%	0.553	53%	0.533	S	S	*	.	H	α-helix	trans	-104	-8.9	-176.1	-67.6	-65.8	0	0	0	114.9	K587 R588 K589 K594	K587-F591 WeakPolarHBondContact O-CD2 3.41Å; K587-F591 PolarHBondContact O-N 2.9Å; R588-F591 PolarHBondContact O-N 3.46Å; K589-F591 VanDerWaalsContact C-N 3.3Å; K589-F591 PolarHBondContact O-N 3.11Å; F591-K594 HydrophobicContact CD1-CD 4.3Å
592	Q	52	Low	54.7	Low	62 Å²	62	113.4 Å²	113.4	29%	0.29	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	139.3	178.4	-161.8	-178.3	-1.7	0	0	111.3	R588 K594	R588-Q592 PolarHBondContact O-N 2.9Å; R588-Q592 VanDerWaalsContact O-N 3.16Å; Q592-K594 PolarHBondContact O-N 3.11Å
593	N	47.9	Very low	55.4	Low	82 Å²	82	111.9 Å²	111.9	44%	0.439	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	14.6	178	-63.3	-26.2	0	0	0	116.2	R595 K596 N597	N593-R595 PolarHBondContact O-N 3.46Å; N593-K596 HydrophobicContact CB-CB 4.42Å; N593-K596 PolarHBondContact O-N 3.38Å; N593-N597 PolarHBondContact O-N 2.74Å
594	K	50.8	Low	56.1	Low	111 Å²	111	111.3 Å²	111.3	48%	0.483	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.7	-179	-171.5	172.6	-178.6	176	0	114.5	F591 Q592 F608	F591-K594 HydrophobicContact CD1-CD 4.3Å; Q592-K594 PolarHBondContact O-N 3.11Å; K594-F608 HydrophobicContact CD-CE1 4.34Å
595	R	51.8	Low	57	Low	254 Å²	254	108.8 Å²	108.8	96%	0.958	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-12.1	176.6	-66	-175.3	179.9	179.8	0	114.6	N593	N593-R595 PolarHBondContact O-N 3.46Å
596	K	47.6	Very low	58	Low	178 Å²	178	109.3 Å²	109.3	77%	0.774	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-32.8	-179.8	-92.4	-171.4	173.4	-174.3	0	112.6	N593 Q598	N593-K596 HydrophobicContact CB-CB 4.42Å; N593-K596 PolarHBondContact O-N 3.38Å; K596-Q598 PolarHBondContact O-N 2.77Å
597	N	49.8	Very low	58.8	Low	112 Å²	112	110.5 Å²	110.5	60%	0.599	53%	0.528	S	S	*	.	S	Bend	trans	-89.1	108.5	176.1	-65.1	-2.9	0	0	0	108.3	N593 I599	N593-N597 PolarHBondContact O-N 2.74Å; N597-I599 PolarHBondContact O-N 3.27Å
598	Q	47.7	Very low	59.6	Low	174 Å²	174	106.1 Å²	106.1	81%	0.813	51%	0.509	S	S	*	.			trans	-59.7	127	161.6	-78.3	-177	4.5	0	0	107.1	K596 T600	K596-Q598 PolarHBondContact O-N 2.77Å; Q598-T600 PolarHBondContact O-N 3.05Å
599	I	57.5	Low	60.5	Low	69 Å²	69	103.5 Å²	103.5	35%	0.354	51%	0.507	S	S	.	.			trans	-69.6	100.9	172.7	-64.5	171.1	0	0	0	105.8	N597 D601 Q604 L605 F608	N597-I599 PolarHBondContact O-N 3.27Å; I599-D601 VanDerWaalsContact C-N 3.35Å; I599-D601 WeakPolarHBondContact CG2-O 3.47Å; I599-Q604 HydrophobicContact CG2-CB 3.93Å; I599-L605 HydrophobicContact CB-CD2 4.18Å; I599-L605 HydrophobicContact CD1-CD2 3.55Å; I599-L605 HydrophobicContact CG1-CD2 4.46Å; I599-L605 HydrophobicContact CG2-CD2 3.92Å; I599-L605 HydrophobicContact CG2-CG 4Å; I599-F608 HydrophobicContact CD1-CD2 4.31Å; I599-F608 HydrophobicContact CD1-CE2 3.74Å
600	T	52.5	Low	61.4	Low	135 Å²	135	98.4 Å²	98.4	83%	0.828	49%	0.486	S	S	*	.			trans	-79.4	-21.5	-178.1	50.3	0	0	0	0	112.4	Q598	Q598-T600 PolarHBondContact O-N 3.05Å
601	D	62	Low	62.5	Low	73 Å²	73	101 Å²	101	39%	0.39	50%	0.497	S	S	.	.			trans	-109.1	115.9	179.2	-176.9	0.3	0	0	0	110.6	I599 S603 Q604	I599-D601 VanDerWaalsContact C-N 3.35Å; I599-D601 WeakPolarHBondContact CG2-O 3.47Å; D601-S603 PolarHBondContact O-N 3.39Å; D601-S603 VanDerWaalsContact O-N 3.16Å; D601-S603 WeakPolarHBondContact OD1-CB 3.43Å; D601-S603 PolarHBondContact OD1-N 2.83Å; D601-S603 PolarHBondContact OD1-OG 3.35Å; D601-S603 PolarHBondContact OD2-OG 2.87Å; D601-Q604 HydrophobicContact CB-CG 4.31Å; D601-Q604 PolarHBondContact O-N 2.8Å; D601-Q604 VanDerWaalsContact O-N 3.16Å
602	S	61.5	Low	63.4	Low	88 Å²	88	100.8 Å²	100.8	62%	0.615	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-62	-21.3	-178.7	60.2	0	0	0	0	113	Q604 L605	S602-Q604 VanDerWaalsContact C-N 3.29Å; S602-Q604 PolarHBondContact O-N 2.96Å; S602-L605 WeakPolarHBondContact O-CB 3.49Å; S602-L605 PolarHBondContact O-N 3.34Å
603	S	65.4	Low	64.8	Low	67 Å²	67	102.2 Å²	102.2	47%	0.469	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-63.7	-33	176.4	77.7	0	0	0	0	112.6	D601 L605 K606	D601-S603 PolarHBondContact O-N 3.39Å; D601-S603 VanDerWaalsContact O-N 3.16Å; D601-S603 WeakPolarHBondContact OD1-CB 3.43Å; D601-S603 PolarHBondContact OD1-N 2.83Å; D601-S603 PolarHBondContact OD1-OG 3.35Å; D601-S603 PolarHBondContact OD2-OG 2.87Å; S603-L605 PolarHBondContact O-N 3.27Å; S603-K606 PolarHBondContact O-N 3.09Å
604	Q	67.9	Low	66.1	Low	94 Å²	94	104.7 Å²	104.7	44%	0.439	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-72.7	-17.4	-178.6	-61.7	-174.8	2.1	0	0	112.9	I599 D601 S602 K606 N607	I599-Q604 HydrophobicContact CG2-CB 3.93Å; D601-Q604 HydrophobicContact CB-CG 4.31Å; D601-Q604 PolarHBondContact O-N 2.8Å; D601-Q604 VanDerWaalsContact O-N 3.16Å; S602-Q604 VanDerWaalsContact C-N 3.29Å; S602-Q604 PolarHBondContact O-N 2.96Å; Q604-K606 PolarHBondContact O-N 3.26Å; Q604-N607 WeakPolarHBondContact O-CB 3.46Å; Q604-N607 PolarHBondContact O-N 2.85Å; Q604-N607 VanDerWaalsContact O-N 3.07Å
605	L	72.5	Confident	67.4	Low	27 Å²	27	106.3 Å²	106.3	14%	0.141	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-67.4	-26.8	177.6	-64.1	170.7	0	0	0	111.7	I599 S602 S603 N607 F608 C625 Y626	I599-L605 HydrophobicContact CB-CD2 4.18Å; I599-L605 HydrophobicContact CD1-CD2 3.55Å; I599-L605 HydrophobicContact CG1-CD2 4.46Å; I599-L605 HydrophobicContact CG2-CD2 3.92Å; I599-L605 HydrophobicContact CG2-CG 4Å; S602-L605 WeakPolarHBondContact O-CB 3.49Å; S602-L605 PolarHBondContact O-N 3.34Å; S603-L605 PolarHBondContact O-N 3.27Å; L605-N607 PolarHBondContact O-N 2.75Å; L605-F608 PolarHBondContact O-N 3.01Å; L605-F608 VanDerWaalsContact O-N 3.08Å; L605-C625 CarbonylContact C-O 3.59Å; L605-C625 HydrophobicContact CB-CB 4.36Å; L605-C625 WeakPolarHBondContact CB-O 3.42Å; L605-C625 HydrophobicContact CD1-CB 4.11Å; L605-Y626 HydrophobicContact CB-CD1 4.24Å; L605-Y626 HydrophobicContact CB-CE1 4.19Å; L605-Y626 HydrophobicContact CD2-CE1 3.73Å; L605-Y626 HydrophobicContact CG-CE1 4.49Å; L605-Y626 WeakPolarHBondContact O-CD1 3.39Å
606	K	78.8	Confident	68.7	Low	93 Å²	93	97.6 Å²	97.6	40%	0.404	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-65.2	-13.5	171.8	-71.5	-72.8	-163.1	-179.4	0	112.6	S603 Q604 F608 D622 C624 C625 S627	S603-K606 PolarHBondContact O-N 3.09Å; Q604-K606 PolarHBondContact O-N 3.26Å; K606-F608 PolarHBondContact O-N 3.03Å; K606-D622 PolarHBondContact NZ-O 3.2Å; K606-D622 VanDerWaalsContact NZ-O 3.14Å; K606-C624 WeakPolarHBondContact CE-O 3.5Å; K606-C624 PolarHBondContact NZ-O 3.25Å; K606-C625 PolarHBondContact N-O 3.16Å; K606-S627 WeakPolarHBondContact O-CB 3.46Å
607	N	74.1	Confident	70.3	Confident	106 Å²	106	93.3 Å²	93.3	57%	0.567	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-79.1	-4.2	173.1	-65.4	-34	0	0	0	113.9	K590 Q604 L605	K590-N607 PolarHBondContact NZ-O 3.36Å; Q604-N607 WeakPolarHBondContact O-CB 3.46Å; Q604-N607 PolarHBondContact O-N 2.85Å; Q604-N607 VanDerWaalsContact O-N 3.07Å; L605-N607 PolarHBondContact O-N 2.75Å
608	F	74.1	Confident	71.9	Confident	35 Å²	35	89.1 Å²	89.1	15%	0.154	48%	0.475	C	S	.	.	S	Bend	trans	-117.6	135	180	-59.1	-77.8	0	0	0	110.8	K594 I599 L605 K606 Y626 S627	K594-F608 HydrophobicContact CD-CE1 4.34Å; I599-F608 HydrophobicContact CD1-CD2 4.31Å; I599-F608 HydrophobicContact CD1-CE2 3.74Å; L605-F608 PolarHBondContact O-N 3.01Å; L605-F608 VanDerWaalsContact O-N 3.08Å; K606-F608 PolarHBondContact O-N 3.03Å; F608-Y626 HydrophobicContact CB-CD1 4.09Å; F608-S627 PolarHBondContact O-N 3.42Å
609	P	78.9	Confident	73.4	Confident	58 Å²	58	85.5 Å²	85.5	38%	0.377	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-69	137.3	-179.8	26.9	-33.3	0	0	0	111.3	K611 S627	P609-K611 PolarHBondContact O-N 3.05Å; P609-S627 CarbonylContact C-O 3.03Å; P609-S627 WeakPolarHBondContact CA-O 3.4Å
610	C	80.1	Confident	74.4	Confident	8 Å²	8	88.2 Å²	88.2	5%	0.054	48%	0.477	C	S	.	.			trans	-69.5	111.2	174.7	-178.7	0	0	0	0	109.8	K612 F613 K614 C618 C624 S627 H628	C610-K612 VanDerWaalsContact C-N 3.29Å; C610-K612 PolarHBondContact O-N 3.49Å; C610-F613 HydrophobicContact CB-CB 3.65Å; C610-F613 PolarHBondContact O-N 3.07Å; C610-F613 VanDerWaalsContact O-N 3.17Å; C610-F613 PolarHBondContact SG-N 3.47Å; C610-K614 PolarHBondContact O-N 3.2Å; C610-C618 VanDerWaalsContact SG-SG 3.69Å; C610-C624 VanDerWaalsContact SG-SG 3.63Å; C610-S627 PolarHBondContact N-O 3.38Å; C610-H628 WeakPolarHBondContact CB-CD2 3.46Å; C610-H628 WeakPolarHBondContact CB-NE2 3.32Å
611	K	80	Confident	75.4	Confident	168 Å²	168	83.5 Å²	83.5	73%	0.73	46%	0.456	S	S	*	.	H	α-helix	trans	-61.1	-38.1	177.5	-72.1	-174	177.7	-176.4	0	112.6	P609 F613 K614 Q615	P609-K611 PolarHBondContact O-N 3.05Å; K611-F613 VanDerWaalsContact C-N 3.32Å; K611-K614 PolarHBondContact O-N 3.07Å; K611-Q615 VanDerWaalsContact O-CG 3.31Å; K611-Q615 WeakPolarHBondContact O-CG 3.46Å; K611-Q615 PolarHBondContact O-N 2.82Å; K611-Q615 VanDerWaalsContact O-N 3.11Å
612	K	79.3	Confident	75.8	Confident	122 Å²	122	87.3 Å²	87.3	53%	0.53	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-35.7	176.8	-66.9	-172	178	-176.2	0	111.5	C610 Q615 G616 T617 C618	C610-K612 VanDerWaalsContact C-N 3.29Å; C610-K612 PolarHBondContact O-N 3.49Å; K612-Q615 CarbonylContact O-C 3.54Å; K612-Q615 PolarHBondContact O-N 2.99Å; K612-G616 PolarHBondContact O-N 3.08Å; K612-G616 VanDerWaalsContact O-N 3.11Å; K612-T617 CarbonylContact O-C 3.57Å; K612-T617 PolarHBondContact O-N 2.97Å; K612-T617 PolarHBondContact O-OG1 3.03Å; K612-C618 HydrophobicContact CB-CB 4.13Å; K612-C618 PolarHBondContact O-N 3.39Å
613	F	79.9	Confident	76.4	Confident	92 Å²	92	86.4 Å²	86.4	40%	0.404	48%	0.481	S	S	.	.	H	α-helix	trans	-69.9	-43.3	174.8	-174.7	-101.7	0	0	0	112.1	C610 K611 Q615 G616 C618 H628	C610-F613 HydrophobicContact CB-CB 3.65Å; C610-F613 PolarHBondContact O-N 3.07Å; C610-F613 VanDerWaalsContact O-N 3.17Å; C610-F613 PolarHBondContact SG-N 3.47Å; K611-F613 VanDerWaalsContact C-N 3.32Å; F613-Q615 PolarHBondContact O-N 3.41Å; F613-Q615 VanDerWaalsContact O-N 3.09Å; F613-G616 PolarHBondContact O-N 3.29Å; F613-C618 HydrophobicContact CB-CB 3.9Å; F613-C618 HydrophobicContact CD2-CB 4.3Å; F613-H628 WeakPolarHBondContact CB-CD2 3.49Å; F613-H628 WeakPolarHBondContact CB-NE2 3.45Å; F613-H628 HydrophobicContact CD1-CB 3.7Å; F613-H628 AromaticContact CD1-CD2 3.89Å; F613-H628 AromaticContact CD1-CG 3.73Å; F613-H628 HydrophobicContact CD2-CB 4.13Å; F613-H628 AromaticContact CD2-CD2 3.79Å; F613-H628 AromaticContact CD2-CE1 3.4Å; F613-H628 WeakPolarHBondContact CD2-CE1 3.39Å; F613-H628 AromaticContact CD2-CG 3.49Å; F613-H628 VanDerWaalsContact CD2-CG 3.49Å; F613-H628 AromaticContact CD2-ND1 3.25Å; F613-H628 VanDerWaalsContact CD2-ND1 3.25Å; F613-H628 WeakPolarHBondContact CD2-ND1 3.5Å; F613-H628 AromaticContact CD2-NE2 3.75Å; F613-H628 HydrophobicContact CE1-CB 3.63Å; F613-H628 WeakPolarHBondContact CE1-O 3.46Å; F613-H628 HydrophobicContact CE2-CB 4.06Å; F613-H628 AromaticContact CE2-CG 3.82Å; F613-H628 AromaticContact CE2-ND1 3.52Å; F613-H628 HydrophobicContact CG-CB 3.95Å; F613-H628 AromaticContact CG-CD2 3.41Å; F613-H628 VanDerWaalsContact CG-CD2 3.41Å; F613-H628 WeakPolarHBondContact CG-CD2 3.24Å; F613-H628 AromaticContact CG-CE1 3.81Å; F613-H628 AromaticContact CG-CG 3.44Å; F613-H628 VanDerWaalsContact CG-CG 3.44Å; F613-H628 AromaticContact CG-ND1 3.71Å; F613-H628 AromaticContact CG-NE2 3.66Å; F613-H628 HydrophobicContact CZ-CB 3.81Å
614	K	76.3	Confident	77	Confident	135 Å²	135	83.5 Å²	83.5	59%	0.587	46%	0.461	S	S	*	.	H	α-helix	trans	-56.8	-24.9	170.6	-88.2	-165.5	175.9	-173.6	0	112.8	C610 K611 E631	C610-K614 PolarHBondContact O-N 3.2Å; K611-K614 PolarHBondContact O-N 3.07Å; K614-E631 IonicContact NZ-OE2 3.8Å; K614-E631 PolarHBondContact NZ-OE2 3.03Å
615	Q	77.9	Confident	77.5	Confident	144 Å²	144	81.9 Å²	81.9	67%	0.673	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.9	176.6	-68	172.8	-14.6	0	0	113.3	K611 K612 F613 T617	K611-Q615 VanDerWaalsContact O-CG 3.31Å; K611-Q615 WeakPolarHBondContact O-CG 3.46Å; K611-Q615 PolarHBondContact O-N 2.82Å; K611-Q615 VanDerWaalsContact O-N 3.11Å; K612-Q615 CarbonylContact O-C 3.54Å; K612-Q615 PolarHBondContact O-N 2.99Å; F613-Q615 PolarHBondContact O-N 3.41Å; F613-Q615 VanDerWaalsContact O-N 3.09Å; Q615-T617 PolarHBondContact O-N 3.27Å
616	G	78.1	Confident	77.8	Confident	72 Å²	72	85.2 Å²	85.2	74%	0.742	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	11.2	-179.3	0	0	0	0	0	115.6	K612 F613	K612-G616 PolarHBondContact O-N 3.08Å; K612-G616 VanDerWaalsContact O-N 3.11Å; F613-G616 PolarHBondContact O-N 3.29Å
617	T	81.9	Confident	77.9	Confident	87 Å²	87	81.7 Å²	81.7	53%	0.534	46%	0.457	S	S	.	.			trans	-117.1	19.7	-170.6	53.7	0	0	0	0	113.3	K612 Q615 P619	K612-T617 CarbonylContact O-C 3.57Å; K612-T617 PolarHBondContact O-N 2.97Å; K612-T617 PolarHBondContact O-OG1 3.03Å; Q615-T617 PolarHBondContact O-N 3.27Å; T617-P619 VanDerWaalsContact O-CD 3.23Å; T617-P619 WeakPolarHBondContact O-CD 3.43Å
618	C	82.5	Confident	78.3	Confident	25 Å²	25	78 Å²	78	17%	0.169	44%	0.437	C	S	.	.			trans	-79.6	114.3	177.5	-169.7	0	0	0	0	110.9	C610 K612 F613 H620 H628	C610-C618 VanDerWaalsContact SG-SG 3.69Å; K612-C618 HydrophobicContact CB-CB 4.13Å; K612-C618 PolarHBondContact O-N 3.39Å; F613-C618 HydrophobicContact CB-CB 3.9Å; F613-C618 HydrophobicContact CD2-CB 4.3Å; C618-H620 PolarHBondContact O-N 2.97Å; C618-H628 PolarHBondContact SG-NE2 3.18Å
619	P	79.3	Confident	78.2	Confident	98 Å²	98	84.2 Å²	84.2	64%	0.636	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5	-178.9	33.3	-35.1	0	0	0	113.2	T617	T617-P619 VanDerWaalsContact O-CD 3.23Å; T617-P619 WeakPolarHBondContact O-CD 3.43Å
620	H	79.2	Confident	77.1	Confident	126 Å²	126	87.3 Å²	87.3	58%	0.583	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-3.9	-169.6	-61.3	-65.3	0	0	0	114.5	C618 D622 G623 C624	C618-H620 PolarHBondContact O-N 2.97Å; H620-D622 PolarHBondContact O-N 2.89Å; H620-G623 CarbonylContact O-C 3.52Å; H620-G623 WeakPolarHBondContact O-CA 3.36Å; H620-G623 PolarHBondContact O-N 3.11Å; H620-C624 HydrophobicContact CB-CB 4.08Å; H620-C624 PolarHBondContact O-N 2.87Å
621	G	74.3	Confident	75.7	Confident	36 Å²	36	93.4 Å²	93.4	37%	0.371	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	45.8	-133.5	179	0	0	0	0	0	112.8	G623 C624 H628	G621-G623 PolarHBondContact O-N 2.91Å; G621-C624 WeakPolarHBondContact O-CB 3.42Å; G621-C624 PolarHBondContact O-N 2.62Å; G621-C624 VanDerWaalsContact O-N 3.13Å; G621-H628 PolarHBondContact O-CE1 2.87Å; G621-H628 PolarHBondContact O-ND1 2.8Å; G621-H628 VanDerWaalsContact O-ND1 3.13Å
622	D	70.7	Confident	73.7	Confident	152 Å²	152	94.7 Å²	94.7	81%	0.813	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.6	179.6	-62.1	-33.5	0	0	0	114.1	K606 H620 C624	K606-D622 PolarHBondContact NZ-O 3.2Å; K606-D622 VanDerWaalsContact NZ-O 3.14Å; H620-D622 PolarHBondContact O-N 2.89Å; D622-C624 PolarHBondContact O-N 3.03Å
623	G	73.8	Confident	71.5	Confident	70 Å²	70	94.5 Å²	94.5	72%	0.722	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-75.6	0.6	173.3	0	0	0	0	0	114.5	H620 G621 C625	H620-G623 CarbonylContact O-C 3.52Å; H620-G623 WeakPolarHBondContact O-CA 3.36Å; H620-G623 PolarHBondContact O-N 3.11Å; G621-G623 PolarHBondContact O-N 2.91Å; G623-C625 PolarHBondContact O-N 3.01Å
624	C	78.1	Confident	69.3	Low	6 Å²	6	96.3 Å²	96.3	4%	0.041	55%	0.552	C	S	.	*			trans	-65.6	133.3	176.4	-168.5	0	0	0	0	111.3	K606 C610 H620 G621 D622 Y626 H628	K606-C624 WeakPolarHBondContact CE-O 3.5Å; K606-C624 PolarHBondContact NZ-O 3.25Å; C610-C624 VanDerWaalsContact SG-SG 3.63Å; H620-C624 HydrophobicContact CB-CB 4.08Å; H620-C624 PolarHBondContact O-N 2.87Å; G621-C624 WeakPolarHBondContact O-CB 3.42Å; G621-C624 PolarHBondContact O-N 2.62Å; G621-C624 VanDerWaalsContact O-N 3.13Å; D622-C624 PolarHBondContact O-N 3.03Å; C624-Y626 PolarHBondContact O-N 2.93Å; C624-Y626 PolarHBondContact SG-N 2.85Å; C624-H628 VanDerWaalsContact CB-NE2 3.29Å; C624-H628 WeakPolarHBondContact CB-NE2 3.38Å
625	C	78.2	Confident	67.3	Low	60 Å²	60	96.5 Å²	96.5	41%	0.405	56%	0.56	S	S	.	*	S	Bend	trans	-67	-13.3	174.4	57	0	0	0	0	113.6	L605 K606 G623	L605-C625 CarbonylContact C-O 3.59Å; L605-C625 HydrophobicContact CB-CB 4.36Å; L605-C625 WeakPolarHBondContact CB-O 3.42Å; L605-C625 HydrophobicContact CD1-CB 4.11Å; K606-C625 PolarHBondContact N-O 3.16Å; G623-C625 PolarHBondContact O-N 3.01Å
626	Y	79.3	Confident	65.3	Low	96 Å²	96	98.7 Å²	98.7	38%	0.376	57%	0.57	S	S	.	*	S	Bend	trans	-102.6	156.2	175.4	-63.8	-79.9	0	0	0	111.3	L605 F608 C624	L605-Y626 HydrophobicContact CB-CD1 4.24Å; L605-Y626 HydrophobicContact CB-CE1 4.19Å; L605-Y626 HydrophobicContact CD2-CE1 3.73Å; L605-Y626 HydrophobicContact CG-CE1 4.49Å; L605-Y626 WeakPolarHBondContact O-CD1 3.39Å; F608-Y626 HydrophobicContact CB-CD1 4.09Å; C624-Y626 PolarHBondContact O-N 2.93Å; C624-Y626 PolarHBondContact SG-N 2.85Å
627	S	79.8	Confident	63.3	Low	19 Å²	19	105.1 Å²	105.1	13%	0.133	58%	0.577	C	S	.	*	B	Isolated β-bridge	trans	-74.5	138.6	-178	160.9	0	0	0	0	113	K606 F608 P609 C610 Q629	K606-S627 WeakPolarHBondContact O-CB 3.46Å; F608-S627 PolarHBondContact O-N 3.42Å; P609-S627 CarbonylContact C-O 3.03Å; P609-S627 WeakPolarHBondContact CA-O 3.4Å; C610-S627 PolarHBondContact N-O 3.38Å; S627-Q629 WeakPolarHBondContact OG-CB 3.42Å; S627-Q629 PolarHBondContact OG-N 2.94Å
628	H	83.4	Confident	61.1	Low	29 Å²	29	107.7 Å²	107.7	13%	0.134	59%	0.593	C	S	.	*			trans	-103.5	5.6	172.5	-70.1	-175.5	0	0	0	112.1	C610 F613 C618 G621 C624 T630	C610-H628 WeakPolarHBondContact CB-CD2 3.46Å; C610-H628 WeakPolarHBondContact CB-NE2 3.32Å; F613-H628 WeakPolarHBondContact CB-CD2 3.49Å; F613-H628 WeakPolarHBondContact CB-NE2 3.45Å; F613-H628 HydrophobicContact CD1-CB 3.7Å; F613-H628 AromaticContact CD1-CD2 3.89Å; F613-H628 AromaticContact CD1-CG 3.73Å; F613-H628 HydrophobicContact CD2-CB 4.13Å; F613-H628 AromaticContact CD2-CD2 3.79Å; F613-H628 AromaticContact CD2-CE1 3.4Å; F613-H628 WeakPolarHBondContact CD2-CE1 3.39Å; F613-H628 AromaticContact CD2-CG 3.49Å; F613-H628 VanDerWaalsContact CD2-CG 3.49Å; F613-H628 AromaticContact CD2-ND1 3.25Å; F613-H628 VanDerWaalsContact CD2-ND1 3.25Å; F613-H628 WeakPolarHBondContact CD2-ND1 3.5Å; F613-H628 AromaticContact CD2-NE2 3.75Å; F613-H628 HydrophobicContact CE1-CB 3.63Å; F613-H628 WeakPolarHBondContact CE1-O 3.46Å; F613-H628 HydrophobicContact CE2-CB 4.06Å; F613-H628 AromaticContact CE2-CG 3.82Å; F613-H628 AromaticContact CE2-ND1 3.52Å; F613-H628 HydrophobicContact CG-CB 3.95Å; F613-H628 AromaticContact CG-CD2 3.41Å; F613-H628 VanDerWaalsContact CG-CD2 3.41Å; F613-H628 WeakPolarHBondContact CG-CD2 3.24Å; F613-H628 AromaticContact CG-CE1 3.81Å; F613-H628 AromaticContact CG-CG 3.44Å; F613-H628 VanDerWaalsContact CG-CG 3.44Å; F613-H628 AromaticContact CG-ND1 3.71Å; F613-H628 AromaticContact CG-NE2 3.66Å; F613-H628 HydrophobicContact CZ-CB 3.81Å; C618-H628 PolarHBondContact SG-NE2 3.18Å; G621-H628 PolarHBondContact O-CE1 2.87Å; G621-H628 PolarHBondContact O-ND1 2.8Å; G621-H628 VanDerWaalsContact O-ND1 3.13Å; C624-H628 VanDerWaalsContact CB-NE2 3.29Å; C624-H628 WeakPolarHBondContact CB-NE2 3.38Å; H628-T630 PolarHBondContact O-N 3.33Å
629	Q	70.4	Confident	58.6	Low	165 Å²	165	119.6 Å²	119.6	77%	0.771	65%	0.647	S	S	*	*			trans	-69.2	121.3	175.4	-67.6	-179.9	-10.6	0	0	109.4	S627 E631	S627-Q629 WeakPolarHBondContact OG-CB 3.42Å; S627-Q629 PolarHBondContact OG-N 2.94Å; Q629-E631 PolarHBondContact O-N 3.42Å
630	T	57.7	Low	57.6	Low	123 Å²	123	120.7 Å²	120.7	76%	0.755	65%	0.647	S	S	*	*			trans	-64.6	127.2	171.6	-27.4	0	0	0	0	107.8	H628 Q632	H628-T630 PolarHBondContact O-N 3.33Å; T630-Q632 PolarHBondContact O-N 2.87Å
631	E	50.4	Low	56.5	Low	137 Å²	137	120.4 Å²	120.4	64%	0.64	65%	0.65	S	S	*	*			trans	-57	108.6	173.9	-74.9	165.2	139.5	0	0	108.1	K614 Q629 T633	K614-E631 IonicContact NZ-OE2 3.8Å; K614-E631 PolarHBondContact NZ-OE2 3.03Å; Q629-E631 PolarHBondContact O-N 3.42Å; E631-T633 PolarHBondContact O-N 2.66Å; E631-T633 VanDerWaalsContact O-N 3.11Å
632	Q	37.7	Very low	55.5	Low	195 Å²	195	125.1 Å²	125.1	91%	0.911	67%	0.666	S	S	*	*			trans	-61.1	112.5	170.3	-83.5	177	-23.9	0	0	107.8	T630 C634	T630-Q632 PolarHBondContact O-N 2.87Å; Q632-C634 PolarHBondContact O-N 3.11Å
633	T	33.2	Very low	54.6	Low	117 Å²	117	123.5 Å²	123.5	72%	0.718	66%	0.657	S	S	*	*			trans	-65.4	123.1	168.9	38.4	0	0	0	0	108.6	E631 D635	E631-T633 PolarHBondContact O-N 2.66Å; E631-T633 VanDerWaalsContact O-N 3.11Å; T633-D635 PolarHBondContact O-N 3.24Å
634	C	34.1	Very low	53.4	Low	131 Å²	131	126.9 Å²	126.9	89%	0.885	65%	0.653	S	S	*	*			trans	-66.7	82	169.4	-84.7	0	0	0	0	109.9	Q632	Q632-C634 PolarHBondContact O-N 3.11Å
635	D	33.9	Very low	51.7	Low	139 Å²	139	134.9 Å²	134.9	74%	0.743	69%	0.694	S	S	*	*			trans	-129.6	67.7	165.5	-78	-37.8	0	0	0	107.6	T633	T633-D635 PolarHBondContact O-N 3.24Å
636	E	34.9	Very low	49.9	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.883	72%	0.715	S	S	*	*			trans	-171.5	75.5	167.6	-110.1	167.3	-148.5	0	0	110.2
637	K	36.1	Very low	47.6	Very low	207 Å²	207	143.7 Å²	143.7	90%	0.9	74%	0.741	S	S	*	*			trans	-151	75.7	153.5	-77.8	-158.5	178.9	179.8	0	109.5
638	T	35.7	Very low	44.9	Very low	142 Å²	142	154.1 Å²	154.1	87%	0.871	79%	0.791	S	S	*	*			trans	-149	89.8	155.5	12.1	0	0	0	0	106.9
639	E	31.4	Very low	41.4	Very low	275 Å²	275	165.5 Å²	165.5	100%	1.285	85%	0.851	S	S	*	*			trans	-127.9	0	141.2	-81.7	-168.8	160.2	0	0	107.2

Retrieved 639 of 639 residues in 1211.3 ms (Link to these results)

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