A0A087YG73_POEFO Loading...

Kynurenine--oxoglutarate transaminase 3

Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA), an intermediate in the tryptophan catabolic pathway which is also a broad spectrum antagonist of the three ionotropic excitatory amino acid receptors among others. May catalyze the beta-elimination of S-conjugates and Se-conjugates of L-(seleno)cysteine, resulting in the cleavage of the C-S or C-Se bond. Has transaminase activity towards L-kynurenine, tryptophan, phenylalanine, serine, cysteine, methionine, histidine, glutamine and asparagine with glyoxylate as an amino group acceptor (in vitro). Has lower activity with 2-oxoglutarate as amino group acceptor (in vitro).

AlphaFold DB , UniProt , Accession A0A087YG73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 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	35.3	Very low	30.2	Very low	254 Å²	254	152.5 Å²	152.5	100%	1.251	83%	0.832	S	S	*	*				0	117.7	0	-75.3	-174.6	-60.1	0	0	107.6
2	G	32.3	Very low	30.1	Very low	81 Å²	81	147 Å²	147	84%	0.835	81%	0.813	S	S	*	*			trans	114.9	72.1	166.9	0	0	0	0	0	116.5
3	E	29.8	Very low	29.9	Very low	176 Å²	176	153.8 Å²	153.8	82%	0.822	82%	0.821	S	S	*	*			trans	-53.4	165.6	145.1	-71.1	164.3	158.1	0	0	110.2
4	E	33.2	Very low	29.9	Very low	150 Å²	150	151.2 Å²	151.2	70%	0.701	81%	0.814	S	S	*	*			cis	-173.7	158.2	18.1	-130.6	173.5	171.8	0	0	109.6
5	E	32.8	Very low	30	Very low	136 Å²	136	155.4 Å²	155.4	64%	0.636	81%	0.813	S	S	*	*			trans	47.1	128.7	141.4	-79.8	-170.5	148.2	0	0	125.2	R7	E5-R7 IonicContact OE1-NH2 3.63Å
6	S	29.7	Very low	30.2	Very low	102 Å²	102	158.1 Å²	158.1	71%	0.713	81%	0.809	S	S	*	*				161.5	116	92.1	92.1	0	0	0	0	110.3
7	R	32	Very low	30.1	Very low	225 Å²	225	158.9 Å²	158.9	85%	0.849	81%	0.814	S	S	*	*				77.3	120.1	93.1	-77	-173.5	-175.5	-171.5	5.8	116.9	E5	E5-R7 IonicContact OE1-NH2 3.63Å
8	G	26.3	Very low	30.1	Very low	85 Å²	85	156.9 Å²	156.9	88%	0.876	80%	0.804	S	S	*	*				134.2	120	127.9	0	0	0	0	0	118.7
9	G	26.5	Very low	30.1	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	80%	0.802	S	S	*	*				125.2	83.5	128.2	0	0	0	0	0	121.4
10	R	28.2	Very low	30	Very low	230 Å²	230	152.7 Å²	152.7	87%	0.868	80%	0.798	S	S	*	*			trans	44.5	118.1	130.4	-77.5	-177.7	-167.6	-169.4	3.9	123.5
11	M	26.1	Very low	29.8	Very low	161 Å²	161	154.4 Å²	154.4	79%	0.793	80%	0.799	S	S	*	*				70.3	116.4	106.6	-126.9	171.7	48.6	0	0	122.7
12	S	28.7	Very low	29.5	Very low	86 Å²	86	152 Å²	152	60%	0.601	78%	0.776	S	S	*	*			trans	61.9	123.1	132.3	169.6	0	0	0	0	121.1
13	Y	27.9	Very low	29.3	Very low	236 Å²	236	156.6 Å²	156.6	93%	0.925	77%	0.773	S	S	*	*				-157.8	140.3	129	-109.1	-80.2	0	0	0	112.6
14	T	29.9	Very low	29.2	Very low	117 Å²	117	154 Å²	154	72%	0.718	77%	0.77	S	S	*	*			trans	-107.6	154.9	-173.8	-11.4	0	0	0	0	111.1
15	R	31.6	Very low	28.9	Very low	214 Å²	214	152.5 Å²	152.5	81%	0.808	77%	0.774	S	S	*	*			trans	159.7	119.6	135.3	-93.4	179.1	-179.4	-161.8	2.2	111.6
16	R	32.8	Very low	28.7	Very low	198 Å²	198	156.9 Å²	156.9	75%	0.747	79%	0.785	S	S	*	*				84.9	130.8	80	-84.1	-169.5	-178	-173.8	-1.1	114.1
17	I	29.3	Very low	28.8	Very low	172 Å²	172	156.5 Å²	156.5	88%	0.882	78%	0.782	S	S	*	*			trans	-131.6	133.3	147.9	-67.9	-176.4	0	0	0	108.8
18	L	29.7	Very low	28.6	Very low	124 Å²	124	155.3 Å²	155.3	65%	0.649	78%	0.784	S	S	*	*			trans	-83.8	162.5	178.6	-67.1	99.4	0	0	0	111.6
19	N	29.4	Very low	29.6	Very low	143 Å²	143	156 Å²	156	77%	0.765	77%	0.772	S	S	*	*				162	156.9	82.1	-103.9	-26.7	0	0	0	106.2
20	A	28.5	Very low	29.9	Very low	86 Å²	86	158.3 Å²	158.3	71%	0.711	77%	0.771	S	S	*	*			cis	-161.4	152.8	13.2	0	0	0	0	0	111.9
21	F	26.8	Very low	30	Very low	188 Å²	188	154.5 Å²	154.5	83%	0.825	77%	0.768	S	S	*	*			trans	-11.1	150.5	150.5	-78	-91.7	0	0	0	119.3
22	R	27.2	Very low	30.7	Very low	204 Å²	204	152.2 Å²	152.2	77%	0.77	77%	0.767	S	S	*	*				-179.7	157.7	56.2	-135.1	163.3	-164	-161.3	6.9	113.2
23	F	28.3	Very low	30.9	Very low	177 Å²	177	159.6 Å²	159.6	78%	0.776	78%	0.782	S	S	*	*			trans	87.3	144.4	155.1	-79	-70.8	0	0	0	122.8
24	T	29.4	Very low	31.7	Very low	122 Å²	122	159.2 Å²	159.2	75%	0.748	78%	0.779	S	S	*	*			trans	-116.7	152.2	-153	40.4	0	0	0	0	114.3
25	C	27	Very low	32	Very low	118 Å²	118	162.7 Å²	162.7	80%	0.797	78%	0.784	S	S	*	*			trans	83.1	129.2	141.5	-102.3	0	0	0	0	123.2
26	R	27.8	Very low	32.3	Very low	229 Å²	229	158.3 Å²	158.3	86%	0.864	79%	0.785	S	S	*	*			trans	94.1	101.8	146.3	-72.1	-175.8	178.2	-164.6	-0.7	121.1
27	S	30.4	Very low	32.7	Very low	93 Å²	93	154.2 Å²	154.2	65%	0.65	78%	0.782	S	S	*	*				42	123	127.7	56.9	0	0	0	0	121.9
28	F	28.1	Very low	33.3	Very low	201 Å²	201	151.3 Å²	151.3	88%	0.882	78%	0.777	S	S	*	*				-177.2	160.4	109.3	-100.9	-85.5	0	0	0	109.9
29	P	47.4	Very low	34	Very low	98 Å²	98	153.4 Å²	153.4	64%	0.636	78%	0.783	S	S	*	*			trans	-101.9	-176.4	-158.3	40.1	-33	0	0	0	114.9
30	T	32.3	Very low	34.9	Very low	128 Å²	128	151.2 Å²	151.2	79%	0.785	78%	0.779	S	S	*	*			trans	85.5	138.8	174.6	76	0	0	0	0	114.6
31	N	30.6	Very low	36.3	Very low	149 Å²	149	153.1 Å²	153.1	80%	0.797	78%	0.782	S	S	*	*			cis	-152.6	146.4	28.8	-128.8	-21.1	0	0	0	111.5
32	C	41.3	Very low	37.6	Very low	114 Å²	114	152.1 Å²	152.1	77%	0.77	78%	0.781	S	S	*	*			trans	-62.8	128.5	-178.5	-162.3	0	0	0	0	112.4
33	R	33.3	Very low	39.5	Very low	241 Å²	241	146.7 Å²	146.7	91%	0.909	78%	0.78	S	S	*	*			trans	-128.2	111.2	154.2	-84.3	-170.5	179.1	-171.1	0.7	109.3	F35	R33-F35 PolarHBondContact O-N 3.31Å
34	R	44.8	Very low	41.8	Very low	228 Å²	228	141.4 Å²	141.4	86%	0.86	77%	0.765	S	S	*	*			trans	-44.9	113.9	172.3	-73.8	171.3	170	170.5	-4.9	111.2
35	F	34.9	Very low	44.4	Very low	190 Å²	190	147 Å²	147	83%	0.833	77%	0.773	S	S	*	*			trans	-98.6	98.3	143.7	-97	-90.4	0	0	0	106.5	R33 T37	R33-F35 PolarHBondContact O-N 3.31Å; F35-T37 PolarHBondContact O-N 2.91Å
36	C	39.9	Very low	47.3	Very low	121 Å²	121	149.8 Å²	149.8	82%	0.818	77%	0.774	S	S	*	*			trans	-66	92	159.2	-99.8	0	0	0	0	106.4	S38	C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 2.89Å
37	T	40	Very low	50.3	Low	112 Å²	112	144 Å²	144	69%	0.687	76%	0.764	S	S	*	*			trans	-69.1	96.2	159.7	38.5	0	0	0	0	106.3	F35 Q39	F35-T37 PolarHBondContact O-N 2.91Å; T37-Q39 PolarHBondContact O-N 2.84Å
38	S	42.7	Very low	53.2	Low	111 Å²	111	144.9 Å²	144.9	78%	0.776	76%	0.757	S	S	*	*			trans	-62.2	88.2	160	58	0	0	0	0	106.9	C36 S40	C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 2.89Å; S38-S40 PolarHBondContact O-N 2.84Å
39	Q	44.1	Very low	56.4	Low	168 Å²	168	137.1 Å²	137.1	79%	0.785	73%	0.73	S	S	*	*			trans	-64.5	93	161.5	-81.7	-176.3	-13.4	0	0	106.1	T37 V41	T37-Q39 PolarHBondContact O-N 2.84Å; Q39-V41 PolarHBondContact O-N 2.81Å
40	S	48.7	Very low	58.7	Low	97 Å²	97	141.2 Å²	141.2	68%	0.678	74%	0.738	S	S	*	*			trans	-56.1	91.2	156.7	151.3	0	0	0	0	106.4	S38 M42	S38-S40 PolarHBondContact O-N 2.84Å; S40-M42 VanDerWaalsContact C-N 3.26Å; S40-M42 PolarHBondContact O-N 3.04Å
41	V	56.5	Low	61.8	Low	126 Å²	126	142.4 Å²	142.4	76%	0.764	73%	0.728	S	S	*	*			trans	-62.6	98.2	163.8	-177.6	0	0	0	0	104.7	Q39 A43	Q39-V41 PolarHBondContact O-N 2.81Å; V41-A43 PolarHBondContact O-N 2.97Å
42	M	55.2	Low	64.9	Low	167 Å²	167	138.8 Å²	138.8	82%	0.823	71%	0.708	S	S	*	*			trans	-59.8	107.1	170.1	-81.7	-150.5	-77.1	0	0	106.4	S40 S44	S40-M42 VanDerWaalsContact C-N 3.26Å; S40-M42 PolarHBondContact O-N 3.04Å; M42-S44 PolarHBondContact O-N 3.16Å
43	A	66.4	Low	67.4	Low	90 Å²	90	139.6 Å²	139.6	74%	0.744	70%	0.701	S	S	*	*			trans	-55.8	112.7	171.2	0	0	0	0	0	107.3	V41 R45	V41-A43 PolarHBondContact O-N 2.97Å; A43-R45 PolarHBondContact O-N 3.22Å
44	S	77.7	Confident	70.2	Confident	66 Å²	66	131 Å²	131	46%	0.462	69%	0.687	S	S	.	*			trans	-58.1	129.6	177.3	177.7	0	0	0	0	108.5	M42 H46 T47	M42-S44 PolarHBondContact O-N 3.16Å; S44-H46 PolarHBondContact O-N 2.91Å; S44-H46 WeakPolarHBondContact OG-CB 3.48Å; S44-H46 PolarHBondContact OG-N 3.38Å; S44-H46 VanDerWaalsContact OG-N 3.11Å; S44-T47 WeakPolarHBondContact O-CG2 3.22Å
45	R	84.2	Confident	72.5	Confident	240 Å²	240	122.1 Å²	122.1	91%	0.906	66%	0.657	S	S	*	*	S	Bend	trans	-70	-10.8	169.9	-69	-174.8	175.2	-174.3	-1.6	112.4	A43 T47	A43-R45 PolarHBondContact O-N 3.22Å; R45-T47 VanDerWaalsContact C-N 3.34Å; R45-T47 PolarHBondContact O-N 3.11Å
46	H	87.4	Confident	75	Confident	176 Å²	176	119.1 Å²	119.1	82%	0.815	65%	0.649	S	S	*	*			trans	-92.2	64.9	177.4	-49.7	106.1	0	0	0	110.3	S44	S44-H46 PolarHBondContact O-N 2.91Å; S44-H46 WeakPolarHBondContact OG-CB 3.48Å; S44-H46 PolarHBondContact OG-N 3.38Å; S44-H46 VanDerWaalsContact OG-N 3.11Å
47	T	90.7	Very high	77	Confident	107 Å²	107	122.5 Å²	122.5	66%	0.656	65%	0.65	S	S	*	*			trans	-111.6	164.7	170.2	54.6	0	0	0	0	110	S44 R45	S44-T47 WeakPolarHBondContact O-CG2 3.22Å; R45-T47 VanDerWaalsContact C-N 3.34Å; R45-T47 PolarHBondContact O-N 3.11Å
48	H	91.6	Very high	79.2	Confident	112 Å²	112	120.2 Å²	120.2	52%	0.519	63%	0.634	S	S	.	*			trans	-65.6	155.9	175.6	58.7	-91.4	0	0	0	111.2	I52	H48-I52 HydrophobicContact CB-CD1 3.97Å; H48-I52 HydrophobicContact CB-CG1 4.23Å
49	A	95.8	Very high	81.3	Confident	38 Å²	38	115.8 Å²	115.8	31%	0.314	60%	0.601	S	S	.	*			trans	-68	140.3	174.5	0	0	0	0	0	110.6	R51 I52	A49-R51 HydrophobicContact CB-CG 4.44Å; A49-R51 PolarHBondContact O-N 3.29Å; A49-I52 WeakPolarHBondContact O-CG1 3.49Å; A49-I52 PolarHBondContact O-N 3.11Å; A49-I52 VanDerWaalsContact O-N 3.1Å
50	K	95.4	Very high	83.2	Confident	185 Å²	185	110.4 Å²	110.4	80%	0.804	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-53.1	-34	-178.9	-65.1	-175.5	177.5	-176.9	0	113.9	I52 E53	K50-I52 PolarHBondContact O-N 3.31Å; K50-E53 WeakPolarHBondContact O-CB 3.49Å; K50-E53 PolarHBondContact O-N 2.98Å; K50-E53 VanDerWaalsContact O-N 3.09Å
51	R	96.3	Very high	84.8	Confident	152 Å²	152	110.4 Å²	110.4	57%	0.574	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-63.3	-13.5	-178.1	81	-179.7	87.6	83.3	-4.9	114.8	A49 L55 M175	A49-R51 HydrophobicContact CB-CG 4.44Å; A49-R51 PolarHBondContact O-N 3.29Å; R51-L55 WeakPolarHBondContact O-CD1 3.28Å; R51-M175 HydrophobicContact CG-CG 4.21Å; R51-M175 WeakPolarHBondContact O-CA 3.01Å
52	I	96.3	Very high	86	Confident	74 Å²	74	106.9 Å²	106.9	38%	0.379	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-112	5	177.8	60.9	163.7	0	0	0	113.3	H48 A49 K50 G54 L55 M175	H48-I52 HydrophobicContact CB-CD1 3.97Å; H48-I52 HydrophobicContact CB-CG1 4.23Å; A49-I52 WeakPolarHBondContact O-CG1 3.49Å; A49-I52 PolarHBondContact O-N 3.11Å; A49-I52 VanDerWaalsContact O-N 3.1Å; K50-I52 PolarHBondContact O-N 3.31Å; I52-G54 PolarHBondContact O-N 2.84Å; I52-L55 PolarHBondContact O-N 3.07Å; I52-M175 HydrophobicContact CG2-CE 4.23Å; I52-M175 HydrophobicContact CG2-SD 4.4Å
53	E	94.4	Very high	87.5	Confident	131 Å²	131	99.3 Å²	99.3	61%	0.612	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	126.8	179	-171.5	167.5	-165.1	0	0	110.8	K50 L55	K50-E53 WeakPolarHBondContact O-CB 3.49Å; K50-E53 PolarHBondContact O-N 2.98Å; K50-E53 VanDerWaalsContact O-N 3.09Å; E53-L55 VanDerWaalsContact C-N 3.26Å; E53-L55 PolarHBondContact O-N 3.4Å
54	G	92.2	Very high	88.4	Confident	60 Å²	60	97.8 Å²	97.8	62%	0.619	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	10.1	-178.9	0	0	0	0	0	115.6	I52	I52-G54 PolarHBondContact O-N 2.84Å
55	L	93.1	Very high	88.7	Confident	42 Å²	42	98.8 Å²	98.8	22%	0.22	51%	0.505	C	S	.	.			trans	-104.9	11.4	178.2	-51.1	-173	0	0	0	113.1	R51 I52 E53 P171 R174 M175	R51-L55 WeakPolarHBondContact O-CD1 3.28Å; I52-L55 PolarHBondContact O-N 3.07Å; E53-L55 VanDerWaalsContact C-N 3.26Å; E53-L55 PolarHBondContact O-N 3.4Å; L55-P171 HydrophobicContact CB-CB 4.46Å; L55-P171 HydrophobicContact CD1-CB 4.26Å; L55-P171 WeakPolarHBondContact CD1-O 3.32Å; L55-P171 HydrophobicContact CD2-CB 4.02Å; L55-P171 HydrophobicContact CG-CB 4.49Å; L55-R174 HydrophobicContact CD1-CB 4.31Å; L55-R174 HydrophobicContact CD2-CB 4.16Å; L55-M175 HydrophobicContact CD1-CB 3.99Å
56	D	85.9	Confident	88.6	Confident	126 Å²	126	91 Å²	91	67%	0.674	48%	0.481	S	S	*	.			trans	-83.9	-20.8	-173.2	59	-66.7	0	0	0	114.1
57	K	83.3	Confident	88.4	Confident	193 Å²	193	83.3 Å²	83.3	84%	0.839	45%	0.448	S	S	*	.			trans	-80.7	131.7	177.2	-65.5	-175.1	-178.9	-179.6	0	110.9
58	N	85	Confident	88.1	Confident	64 Å²	64	81.7 Å²	81.7	34%	0.342	45%	0.445	S	S	.	.			trans	-136.2	119.7	179.7	-170.9	-50.4	0	0	0	111	W60 V61 A62	N58-W60 PolarHBondContact O-N 3.12Å; N58-W60 WeakPolarHBondContact OD1-CA 3.48Å; N58-W60 WeakPolarHBondContact OD1-CB 3.46Å; N58-W60 PolarHBondContact OD1-N 3.05Å; N58-V61 HydrophobicContact CB-CB 4.4Å; N58-V61 HydrophobicContact CB-CG2 3.94Å; N58-V61 PolarHBondContact O-N 3.09Å; N58-V61 VanDerWaalsContact O-N 3.12Å; N58-A62 PolarHBondContact O-N 2.95Å
59	V	86.1	Confident	88	Confident	17 Å²	17	79.6 Å²	79.6	10%	0.103	44%	0.438	C	S	.	.	H	α-helix	trans	-57.3	-36.7	-179.2	66	0	0	0	0	112.1	V61 A62 F63 A420	V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.45Å; V59-A62 PolarHBondContact O-N 3.12Å; V59-F63 HydrophobicContact CG2-CD2 3.53Å; V59-F63 HydrophobicContact CG2-CE2 3.78Å; V59-F63 WeakPolarHBondContact O-CD2 3.41Å; V59-F63 PolarHBondContact O-N 3.23Å; V59-A420 HydrophobicContact CB-CB 4.06Å; V59-A420 HydrophobicContact CG1-CB 4.14Å; V59-A420 HydrophobicContact CG2-CB 3.71Å
60	W	85.9	Confident	87.6	Confident	55 Å²	55	83.9 Å²	83.9	21%	0.208	46%	0.463	C	S	.	.	H	α-helix	trans	-64.1	-39.5	179.7	-54.2	110.6	0	0	0	111.2	N58 A62 T64 F166 D167 I416 F421 R435	N58-W60 PolarHBondContact O-N 3.12Å; N58-W60 WeakPolarHBondContact OD1-CA 3.48Å; N58-W60 WeakPolarHBondContact OD1-CB 3.46Å; N58-W60 PolarHBondContact OD1-N 3.05Å; W60-A62 VanDerWaalsContact C-N 3.34Å; W60-A62 PolarHBondContact O-N 3.03Å; W60-T64 WeakPolarHBondContact O-CB 3.39Å; W60-T64 PolarHBondContact O-N 3.13Å; W60-T64 PolarHBondContact O-OG1 2.91Å; W60-F166 HydrophobicContact CZ2-CE2 4.22Å; W60-D167 PolarHBondContact NE1-OD1 3.25Å; W60-D167 PolarHBondContact NE1-OD2 3.26Å; W60-I416 HydrophobicContact CE3-CD1 4.34Å; W60-I416 HydrophobicContact CH2-CG1 4.49Å; W60-I416 HydrophobicContact CH2-CG2 4.47Å; W60-I416 HydrophobicContact CZ3-CD1 3.84Å; W60-I416 HydrophobicContact CZ3-CG1 3.95Å; W60-F421 HydrophobicContact CH2-CE1 4.3Å; W60-F421 AromaticContact CH2-CZ 3.85Å; W60-F421 HydrophobicContact CH2-CZ 3.85Å; W60-F421 AromaticContact CZ2-CE1 3.91Å; W60-F421 HydrophobicContact CZ2-CE1 3.91Å; W60-F421 AromaticContact CZ2-CZ 3.93Å; W60-F421 HydrophobicContact CZ2-CZ 3.93Å; W60-R435 VanDerWaalsContact CH2-NH2 3.29Å
61	V	81.6	Confident	87.3	Confident	98 Å²	98	78.4 Å²	78.4	59%	0.594	45%	0.448	S	S	*	.	H	α-helix	trans	-63.6	-42.6	178	176.6	0	0	0	0	110.7	N58 V59 S65	N58-V61 HydrophobicContact CB-CB 4.4Å; N58-V61 HydrophobicContact CB-CG2 3.94Å; N58-V61 PolarHBondContact O-N 3.09Å; N58-V61 VanDerWaalsContact O-N 3.12Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.45Å; V61-S65 PolarHBondContact O-N 2.94Å; V61-S65 PolarHBondContact O-OG 3.14Å
62	A	81.8	Confident	87.2	Confident	52 Å²	52	72 Å²	72	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-66	-53.5	-179.8	0	0	0	0	0	112.3	N58 V59 W60 S65 L66	N58-A62 PolarHBondContact O-N 2.95Å; V59-A62 PolarHBondContact O-N 3.12Å; W60-A62 VanDerWaalsContact C-N 3.34Å; W60-A62 PolarHBondContact O-N 3.03Å; A62-S65 PolarHBondContact O-N 3.38Å; A62-L66 WeakPolarHBondContact O-CG 3.38Å; A62-L66 PolarHBondContact O-N 3.46Å
63	F	86.3	Confident	87.1	Confident	8 Å²	8	69.7 Å²	69.7	4%	0.035	41%	0.414	C	S	.	.	H	α-helix	trans	-78.4	-26.1	-174.4	-76.9	-84.7	0	0	0	114	V59 S65 L66 A67 Y401 V404 K405 I408 I416 P417	V59-F63 HydrophobicContact CG2-CD2 3.53Å; V59-F63 HydrophobicContact CG2-CE2 3.78Å; V59-F63 WeakPolarHBondContact O-CD2 3.41Å; V59-F63 PolarHBondContact O-N 3.23Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.27Å; F63-L66 HydrophobicContact CD1-CD1 4.06Å; F63-L66 HydrophobicContact CE1-CD1 4.2Å; F63-L66 PolarHBondContact O-N 3.15Å; F63-A67 WeakPolarHBondContact O-CB 3.4Å; F63-A67 PolarHBondContact O-N 3.21Å; F63-Y401 AromaticContact CE2-CD1 3.86Å; F63-Y401 HydrophobicContact CE2-CD1 3.86Å; F63-Y401 AromaticContact CE2-CE1 3.58Å; F63-Y401 HydrophobicContact CE2-CE1 3.58Å; F63-Y401 AromaticContact CZ-CD1 3.82Å; F63-Y401 HydrophobicContact CZ-CD1 3.82Å; F63-Y401 HydrophobicContact CZ-CE1 4.04Å; F63-Y401 HydrophobicContact CZ-CG 4.48Å; F63-V404 HydrophobicContact CD1-CG1 3.84Å; F63-V404 HydrophobicContact CE1-CB 3.94Å; F63-V404 HydrophobicContact CE1-CG1 3.4Å; F63-V404 VanDerWaalsContact CE1-CG1 3.4Å; F63-V404 HydrophobicContact CZ-CG1 4.34Å; F63-K405 HydrophobicContact CE1-CG 4.39Å; F63-I408 HydrophobicContact CD1-CD1 3.95Å; F63-I408 HydrophobicContact CE1-CD1 4.37Å; F63-I416 HydrophobicContact CB-CD1 3.94Å; F63-I416 HydrophobicContact CG-CD1 4.29Å; F63-P417 HydrophobicContact CD2-CG 4.47Å; F63-P417 HydrophobicContact CE1-CG 4.44Å; F63-P417 HydrophobicContact CE2-CG 3.56Å; F63-P417 VanDerWaalsContact CZ-CD 3.48Å; F63-P417 HydrophobicContact CZ-CG 3.54Å
64	T	85.2	Confident	87.2	Confident	58 Å²	58	65 Å²	65	36%	0.356	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-42.3	171.4	-58.4	0	0	0	0	110.8	W60 L66 A67 A68 Q77	W60-T64 WeakPolarHBondContact O-CB 3.39Å; W60-T64 PolarHBondContact O-N 3.13Å; W60-T64 PolarHBondContact O-OG1 2.91Å; T64-L66 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 3.28Å; T64-A67 PolarHBondContact O-N 3.22Å; T64-A68 PolarHBondContact O-N 3.16Å; T64-Q77 VanDerWaalsContact CG2-NE2 3.26Å; T64-Q77 PolarHBondContact OG1-NE2 2.81Å
65	S	84	Confident	87.4	Confident	87 Å²	87	62.1 Å²	62.1	61%	0.608	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-37	179.4	-55.3	0	0	0	0	112	V61 A62 F63 A68	V61-S65 PolarHBondContact O-N 2.94Å; V61-S65 PolarHBondContact O-OG 3.14Å; A62-S65 PolarHBondContact O-N 3.38Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.27Å; S65-A68 WeakPolarHBondContact O-CB 3.43Å
66	L	82.2	Confident	87.3	Confident	76 Å²	76	60.2 Å²	60.2	40%	0.398	35%	0.354	S	S	.	.	H	α-helix	trans	-70.1	-31.1	177.7	-68.4	173.7	0	0	0	113.2	A62 F63 T64 I72 K405 I408	A62-L66 WeakPolarHBondContact O-CG 3.38Å; A62-L66 PolarHBondContact O-N 3.46Å; F63-L66 HydrophobicContact CD1-CD1 4.06Å; F63-L66 HydrophobicContact CE1-CD1 4.2Å; F63-L66 PolarHBondContact O-N 3.15Å; T64-L66 VanDerWaalsContact C-N 3.34Å; T64-L66 PolarHBondContact O-N 3.28Å; L66-I72 WeakPolarHBondContact O-CD1 3.34Å; L66-K405 HydrophobicContact CD1-CG 4Å; L66-I408 HydrophobicContact CB-CD1 4.24Å; L66-I408 HydrophobicContact CB-CG2 4.38Å; L66-I408 WeakPolarHBondContact O-CG2 3.43Å
67	A	83.3	Confident	87.1	Confident	14 Å²	14	56.1 Å²	56.1	12%	0.116	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14.1	-180	0	0	0	0	0	113.4	F63 T64 D69 A414	F63-A67 WeakPolarHBondContact O-CB 3.4Å; F63-A67 PolarHBondContact O-N 3.21Å; T64-A67 PolarHBondContact O-N 3.22Å; A67-D69 VanDerWaalsContact C-N 3.31Å; A67-A414 HydrophobicContact CB-CB 3.85Å
68	A	85.1	Confident	87	Confident	74 Å²	74	47.6 Å²	47.6	61%	0.612	30%	0.298	S	S	*	.			trans	-75.5	-18.4	-177.8	0	0	0	0	0	113.6	T64 S65	T64-A68 PolarHBondContact O-N 3.16Å; S65-A68 WeakPolarHBondContact O-CB 3.43Å
69	D	88.4	Confident	86.7	Confident	67 Å²	67	48.4 Å²	48.4	36%	0.358	30%	0.298	S	S	.	.	S	Bend	trans	-66.7	120.7	174.3	177	-3.6	0	0	0	109.6	A67 S71 I72 K412	A67-D69 VanDerWaalsContact C-N 3.31Å; D69-S71 PolarHBondContact O-N 3.16Å; D69-S71 VanDerWaalsContact O-N 3.09Å; D69-S71 WeakPolarHBondContact OD1-CB 3.32Å; D69-S71 PolarHBondContact OD1-N 3.4Å; D69-S71 PolarHBondContact OD1-OG 3.21Å; D69-S71 PolarHBondContact OD2-OG 3.18Å; D69-I72 HydrophobicContact CB-CD1 3.69Å; D69-I72 HydrophobicContact CB-CG1 4.06Å; D69-I72 WeakPolarHBondContact O-CB 3.41Å; D69-I72 PolarHBondContact O-N 3.13Å; D69-K412 IonicContact OD2-NZ 2.9Å
70	P	86.9	Confident	86.6	Confident	129 Å²	129	48.4 Å²	48.4	84%	0.838	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.6	-177.8	27.9	-36.4	0	0	0	113.7	I72	P70-I72 PolarHBondContact O-N 3.35Å
71	S	90.3	Very high	86.7	Confident	70 Å²	70	48.2 Å²	48.2	49%	0.49	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.7	173.5	99.6	0	0	0	0	113.4	D69	D69-S71 PolarHBondContact O-N 3.16Å; D69-S71 VanDerWaalsContact O-N 3.09Å; D69-S71 WeakPolarHBondContact OD1-CB 3.32Å; D69-S71 PolarHBondContact OD1-N 3.4Å; D69-S71 PolarHBondContact OD1-OG 3.21Å; D69-S71 PolarHBondContact OD2-OG 3.18Å
72	I	93.7	Very high	87.1	Confident	18 Å²	18	44.3 Å²	44.3	9%	0.092	28%	0.277	C	S	.	.	S	Bend	trans	-93	126.1	-176.1	-63.4	170.6	0	0	0	109.4	L66 D69 P70 N74 I408 K412 A414	L66-I72 WeakPolarHBondContact O-CD1 3.34Å; D69-I72 HydrophobicContact CB-CD1 3.69Å; D69-I72 HydrophobicContact CB-CG1 4.06Å; D69-I72 WeakPolarHBondContact O-CB 3.41Å; D69-I72 PolarHBondContact O-N 3.13Å; P70-I72 PolarHBondContact O-N 3.35Å; I72-N74 PolarHBondContact O-N 3.45Å; I72-I408 HydrophobicContact CD1-CG2 3.85Å; I72-K412 WeakPolarHBondContact CA-O 3.36Å; I72-K412 HydrophobicContact CG1-CD 4.21Å; I72-A414 HydrophobicContact CG2-CB 3.9Å
73	V	95.3	Very high	87.6	Confident	24 Å²	24	45.9 Å²	45.9	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.3	169	179.6	0	0	0	0	108.3	L75 K412 L413 A414 T444 A447 A448 I451	V73-L75 HydrophobicContact CG1-CD2 4.41Å; V73-L75 HydrophobicContact CG1-CG 4.43Å; V73-L75 PolarHBondContact O-N 2.77Å; V73-K412 PolarHBondContact N-O 2.68Å; V73-L413 HydrophobicContact CB-CD1 4.04Å; V73-L413 HydrophobicContact CG1-CD1 3.98Å; V73-A414 PolarHBondContact O-N 3.12Å; V73-T444 HydrophobicContact CG1-CG2 4.14Å; V73-A447 HydrophobicContact CG2-CB 3.85Å; V73-A448 HydrophobicContact CG1-CB 3.94Å; V73-I451 HydrophobicContact CB-CD1 4Å; V73-I451 HydrophobicContact CG2-CD1 3.64Å
74	N	95.3	Very high	88	Confident	33 Å²	33	46.9 Å²	46.9	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	94.8	-172	-171.1	-15.5	0	0	0	112.6	I72 G76 Q77 A414 K440	I72-N74 PolarHBondContact O-N 3.45Å; N74-G76 PolarHBondContact OD1-N 2.86Å; N74-Q77 PolarHBondContact ND2-OE1 3.5Å; N74-Q77 PolarHBondContact OD1-N 3.08Å; N74-A414 HydrophobicContact CB-CB 4.47Å; N74-K440 VanDerWaalsContact O-CE 3.31Å; N74-K440 WeakPolarHBondContact O-CE 3.48Å; N74-K440 PolarHBondContact O-NZ 2.81Å
75	L	96.3	Very high	88.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.278	C	S	.	.			trans	-97.3	10.6	169	-55.8	-170.6	0	0	0	112.2	V73 L359 L413 A414 L436 C437 K440 T444 L445 A448	V73-L75 HydrophobicContact CG1-CD2 4.41Å; V73-L75 HydrophobicContact CG1-CG 4.43Å; V73-L75 PolarHBondContact O-N 2.77Å; L75-L359 HydrophobicContact CD1-CD1 4.2Å; L75-L413 HydrophobicContact CD1-CD1 3.96Å; L75-L413 HydrophobicContact CG-CD1 3.94Å; L75-A414 CarbonylContact C-O 3.36Å; L75-A414 VanDerWaalsContact C-O 3.26Å; L75-A414 WeakPolarHBondContact CA-O 3.43Å; L75-A414 WeakPolarHBondContact CB-O 3.48Å; L75-A414 PolarHBondContact N-O 3.23Å; L75-A414 VanDerWaalsContact N-O 3.11Å; L75-L436 HydrophobicContact CB-CB 4.39Å; L75-L436 HydrophobicContact CB-CD2 3.83Å; L75-L436 HydrophobicContact CD1-CD2 4.3Å; L75-L436 CarbonylContact O-C 3.49Å; L75-L436 WeakPolarHBondContact O-CA 3.19Å; L75-C437 VanDerWaalsContact O-CB 3.23Å; L75-C437 WeakPolarHBondContact O-CB 3.42Å; L75-C437 PolarHBondContact O-N 3.4Å; L75-K440 HydrophobicContact CD2-CG 3.91Å; L75-T444 HydrophobicContact CD2-CG2 4.12Å; L75-L445 HydrophobicContact CD2-CD2 4.31Å; L75-A448 HydrophobicContact CD1-CB 3.72Å; L75-A448 HydrophobicContact CG-CB 4.35Å
76	G	90.8	Very high	89.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-86.7	-56.2	-176.2	0	0	0	0	0	113	N74 A414 I416 R435	N74-G76 PolarHBondContact OD1-N 2.86Å; G76-A414 PolarHBondContact N-O 2.96Å; G76-A414 VanDerWaalsContact N-O 3.13Å; G76-I416 WeakPolarHBondContact O-CG1 3.12Å; G76-R435 PolarHBondContact O-NH2 3.1Å
77	Q	82.4	Confident	89.9	Confident	40 Å²	40	43.5 Å²	43.5	19%	0.187	27%	0.266	C	S	.	.	S	Bend	trans	-73.2	132.2	-175.9	-74.5	173.2	-32.9	0	0	112	T64 N74 F79	T64-Q77 VanDerWaalsContact CG2-NE2 3.26Å; T64-Q77 PolarHBondContact OG1-NE2 2.81Å; N74-Q77 PolarHBondContact ND2-OE1 3.5Å; N74-Q77 PolarHBondContact OD1-N 3.08Å; Q77-F79 VanDerWaalsContact C-N 3.25Å; Q77-F79 HydrophobicContact CB-CD1 3.79Å; Q77-F79 HydrophobicContact CB-CE1 3.54Å; Q77-F79 HydrophobicContact CB-CZ 4.37Å; Q77-F79 HydrophobicContact CG-CE1 4.28Å; Q77-F79 PolarHBondContact O-N 3.2Å
78	G	81	Confident	90.5	Very high	15 Å²	15	42.8 Å²	42.8	16%	0.155	26%	0.261	C	S	.	.			trans	-81.1	57.5	-176	0	0	0	0	0	114.5	K286 Y377	G78-K286 PolarHBondContact O-NZ 3.47Å; G78-Y377 PolarHBondContact O-OH 3.08Å; G78-Y377 VanDerWaalsContact O-OH 3.11Å
79	F	78.7	Confident	91.1	Very high	80 Å²	80	43.8 Å²	43.8	35%	0.351	25%	0.251	S	S	.	.			trans	-127.8	149	168	61	-105.3	0	0	0	112.3	Q77 T291 K440	Q77-F79 VanDerWaalsContact C-N 3.25Å; Q77-F79 HydrophobicContact CB-CD1 3.79Å; Q77-F79 HydrophobicContact CB-CE1 3.54Å; Q77-F79 HydrophobicContact CB-CZ 4.37Å; Q77-F79 HydrophobicContact CG-CE1 4.28Å; Q77-F79 PolarHBondContact O-N 3.2Å; F79-T291 HydrophobicContact CB-CG2 4.01Å; F79-K440 PolarHBondContact O-NZ 2.84Å
80	P	84.8	Confident	91.6	Very high	17 Å²	17	45.5 Å²	45.5	11%	0.11	26%	0.26	C	S	.	.			trans	-62.9	134.3	170.1	-11.5	23.9	0	0	0	111.5	I82 I439	P80-I82 HydrophobicContact CB-CG1 3.63Å; P80-I439 WeakPolarHBondContact CA-O 3.32Å; P80-I439 HydrophobicContact CB-CD1 3.96Å; P80-I439 HydrophobicContact CB-CG1 3.79Å; P80-I439 HydrophobicContact CG-CD1 3.68Å; P80-I439 HydrophobicContact CG-CG1 4.02Å
81	D	88.1	Confident	92.2	Very high	52 Å²	52	40.1 Å²	40.1	28%	0.278	23%	0.226	S	C	.	.	S	Bend	trans	-93.7	-6.7	153.7	61.5	5.7	0	0	0	111.4	K440 E441 T444	D81-K440 VanDerWaalsContact OD1-C 3.22Å; D81-K440 WeakPolarHBondContact OD1-CA 3.47Å; D81-K440 WeakPolarHBondContact OD2-CD 3.31Å; D81-E441 PolarHBondContact OD1-N 2.99Å; D81-T444 WeakPolarHBondContact OD2-CB 3.23Å; D81-T444 PolarHBondContact OD2-OG1 3.21Å
82	I	89.7	Confident	92.6	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.077	21%	0.214	C	C	.	.	S	Bend	trans	-68.8	145.8	166.2	60.4	167.2	0	0	0	111.5	P80 L348 I439 E441	P80-I82 HydrophobicContact CB-CG1 3.63Å; I82-L348 HydrophobicContact CD1-CD1 4.07Å; I82-I439 HydrophobicContact CD1-CD1 4.14Å; I82-I439 HydrophobicContact CD1-CG1 3.87Å; I82-I439 HydrophobicContact CG1-CG1 4.04Å; I82-E441 HydrophobicContact CG2-CG 4.05Å
83	P	91	Very high	92.8	Very high	86 Å²	86	41 Å²	41	56%	0.558	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-67.5	139.4	177.9	26.8	-33.8	0	0	0	111.3
84	P	94.9	Very high	93	Very high	28 Å²	28	47 Å²	47	18%	0.182	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-68.7	162.6	171.2	31.1	-36.4	0	0	0	110.7	S86 K89 F288 V290	P84-S86 PolarHBondContact O-N 3.17Å; P84-K89 HydrophobicContact CG-CD 3.78Å; P84-K89 HydrophobicContact CG-CG 3.89Å; P84-K89 WeakPolarHBondContact O-CE 3.45Å; P84-K89 PolarHBondContact O-NZ 3.34Å; P84-F288 WeakPolarHBondContact CB-O 3.1Å; P84-V290 HydrophobicContact CB-CG1 3.48Å; P84-V290 VanDerWaalsContact CB-CG1 3.48Å; P84-V290 HydrophobicContact CG-CG1 3.81Å
85	P	96.1	Very high	93.1	Very high	15 Å²	15	45.7 Å²	45.7	10%	0.097	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-54.4	134.5	-179.9	-22.7	31.5	0	0	0	112	Y87 V88 K89 Y344	P85-Y87 VanDerWaalsContact C-N 3.31Å; P85-Y87 HydrophobicContact CB-CD1 3.86Å; P85-Y87 HydrophobicContact CB-CE1 3.35Å; P85-Y87 HydrophobicContact CB-CE2 4.09Å; P85-Y87 HydrophobicContact CB-CG 4.41Å; P85-Y87 VanDerWaalsContact CB-CZ 3.46Å; P85-Y87 HydrophobicContact CG-CE1 4.29Å; P85-Y87 PolarHBondContact O-N 3.27Å; P85-V88 HydrophobicContact CB-CG2 4.15Å; P85-V88 HydrophobicContact CG-CG2 4.39Å; P85-V88 WeakPolarHBondContact O-CB 3.4Å; P85-V88 PolarHBondContact O-N 2.82Å; P85-K89 PolarHBondContact O-N 2.94Å; P85-Y344 HydrophobicContact CG-CD1 3.64Å; P85-Y344 HydrophobicContact CG-CD2 3.7Å; P85-Y344 HydrophobicContact CG-CE1 3.5Å; P85-Y344 HydrophobicContact CG-CE2 3.59Å; P85-Y344 HydrophobicContact CG-CG 3.72Å; P85-Y344 VanDerWaalsContact CG-CZ 3.47Å
86	S	97.5	Very high	93.2	Very high	73 Å²	73	48.2 Å²	48.2	51%	0.51	27%	0.273	S	S	.	.	H	α-helix	trans	-54.3	-46.8	-176.3	50.2	0	0	0	0	112.1	P84 V88 K89 D90	P84-S86 PolarHBondContact O-N 3.17Å; S86-V88 PolarHBondContact O-N 2.83Å; S86-V88 VanDerWaalsContact O-N 3.08Å; S86-K89 WeakPolarHBondContact O-CB 2.92Å; S86-K89 PolarHBondContact O-N 3.1Å; S86-D90 PolarHBondContact O-N 3.07Å
87	Y	97.6	Very high	93.6	Very high	62 Å²	62	52.5 Å²	52.5	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-26.8	-179.5	62.6	-101.6	0	0	0	113.8	P85 A91 F288 L333 N334 Y344	P85-Y87 VanDerWaalsContact C-N 3.31Å; P85-Y87 HydrophobicContact CB-CD1 3.86Å; P85-Y87 HydrophobicContact CB-CE1 3.35Å; P85-Y87 HydrophobicContact CB-CE2 4.09Å; P85-Y87 HydrophobicContact CB-CG 4.41Å; P85-Y87 VanDerWaalsContact CB-CZ 3.46Å; P85-Y87 HydrophobicContact CG-CE1 4.29Å; P85-Y87 PolarHBondContact O-N 3.27Å; Y87-A91 VanDerWaalsContact O-CB 3.26Å; Y87-A91 WeakPolarHBondContact O-CB 3.31Å; Y87-A91 PolarHBondContact O-N 2.98Å; Y87-A91 VanDerWaalsContact O-N 3.11Å; Y87-F288 HydrophobicContact CE2-CE1 4.49Å; Y87-L333 HydrophobicContact CD1-CD2 3.86Å; Y87-L333 HydrophobicContact CD2-CD2 3.66Å; Y87-L333 HydrophobicContact CE1-CD2 4.12Å; Y87-L333 HydrophobicContact CE2-CD2 3.95Å; Y87-L333 HydrophobicContact CG-CD2 3.63Å; Y87-N334 PolarHBondContact OH-ND2 3.06Å; Y87-Y344 WeakPolarHBondContact OH-CB 3.35Å
88	V	97.3	Very high	94.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-72.4	-48.4	174.7	176.5	0	0	0	0	109.7	P85 S86 D90 A91 L92 F288 V290 W293	P85-V88 HydrophobicContact CB-CG2 4.15Å; P85-V88 HydrophobicContact CG-CG2 4.39Å; P85-V88 WeakPolarHBondContact O-CB 3.4Å; P85-V88 PolarHBondContact O-N 2.82Å; S86-V88 PolarHBondContact O-N 2.83Å; S86-V88 VanDerWaalsContact O-N 3.08Å; V88-D90 PolarHBondContact O-N 2.67Å; V88-A91 PolarHBondContact O-N 3.43Å; V88-L92 PolarHBondContact O-N 3.18Å; V88-F288 HydrophobicContact CG1-CB 4.37Å; V88-F288 HydrophobicContact CG2-CB 4.21Å; V88-F288 HydrophobicContact CG2-CD1 3.74Å; V88-F288 HydrophobicContact CG2-CE1 4.35Å; V88-F288 HydrophobicContact CG2-CG 4.03Å; V88-V290 HydrophobicContact CG1-CG1 4.2Å; V88-W293 HydrophobicContact CB-CH2 4.5Å; V88-W293 HydrophobicContact CG1-CE3 4.42Å; V88-W293 HydrophobicContact CG1-CH2 3.27Å; V88-W293 HydrophobicContact CG1-CZ2 3.96Å; V88-W293 HydrophobicContact CG1-CZ3 3.53Å; V88-W293 WeakPolarHBondContact O-CH2 3.42Å
89	K	98.1	Very high	95.2	Very high	95 Å²	95	59 Å²	59	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-44.2	176.7	-67.8	179.5	-71.6	-169.8	0	111.8	P84 P85 S86 A91 L92 A93	P84-K89 HydrophobicContact CG-CD 3.78Å; P84-K89 HydrophobicContact CG-CG 3.89Å; P84-K89 WeakPolarHBondContact O-CE 3.45Å; P84-K89 PolarHBondContact O-NZ 3.34Å; P85-K89 PolarHBondContact O-N 2.94Å; S86-K89 WeakPolarHBondContact O-CB 2.92Å; S86-K89 PolarHBondContact O-N 3.1Å; K89-A91 VanDerWaalsContact C-N 3.31Å; K89-A91 PolarHBondContact O-N 2.76Å; K89-L92 PolarHBondContact O-N 2.76Å; K89-L92 VanDerWaalsContact O-N 3.17Å; K89-A93 PolarHBondContact O-N 2.89Å
90	D	98.6	Very high	96	Very high	102 Å²	102	64.3 Å²	64.3	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-38	-180	-62	-21.3	0	0	0	111.3	S86 V88 L92 A93 K94	S86-D90 PolarHBondContact O-N 3.07Å; V88-D90 PolarHBondContact O-N 2.67Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-L92 PolarHBondContact O-N 3.09Å; D90-A93 PolarHBondContact O-N 3.06Å; D90-K94 WeakPolarHBondContact O-CB 3.39Å; D90-K94 PolarHBondContact O-N 3.01Å
91	A	98.6	Very high	96.7	Very high	16 Å²	16	64.4 Å²	64.4	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-37.7	175.2	0	0	0	0	0	112.1	Y87 V88 K89 A95 A326 Q329	Y87-A91 VanDerWaalsContact O-CB 3.26Å; Y87-A91 WeakPolarHBondContact O-CB 3.31Å; Y87-A91 PolarHBondContact O-N 2.98Å; Y87-A91 VanDerWaalsContact O-N 3.11Å; V88-A91 PolarHBondContact O-N 3.43Å; K89-A91 VanDerWaalsContact C-N 3.31Å; K89-A91 PolarHBondContact O-N 2.76Å; A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 2.98Å; A91-A326 HydrophobicContact CB-CB 3.97Å; A91-Q329 HydrophobicContact CB-CB 4.12Å
92	L	98.6	Very high	97.1	Very high	42 Å²	42	65.8 Å²	65.8	22%	0.22	36%	0.362	C	S	.	.	H	α-helix	trans	-67.5	-45.3	173.4	177.7	57.8	0	0	0	111.9	V88 K89 D90 K94 A95 A96 W293 P322 L323 A326	V88-L92 PolarHBondContact O-N 3.18Å; K89-L92 PolarHBondContact O-N 2.76Å; K89-L92 VanDerWaalsContact O-N 3.17Å; D90-L92 VanDerWaalsContact C-N 3.32Å; D90-L92 PolarHBondContact O-N 3.09Å; L92-K94 VanDerWaalsContact C-N 3.25Å; L92-K94 PolarHBondContact O-N 2.92Å; L92-A95 PolarHBondContact O-N 3.05Å; L92-A95 VanDerWaalsContact O-N 3.12Å; L92-A96 PolarHBondContact O-N 3.36Å; L92-W293 HydrophobicContact CB-CH2 3.7Å; L92-W293 HydrophobicContact CB-CZ2 3.76Å; L92-W293 HydrophobicContact CD2-CH2 4.13Å; L92-W293 HydrophobicContact CD2-CZ2 3.47Å; L92-W293 VanDerWaalsContact CD2-CZ2 3.47Å; L92-W293 HydrophobicContact CG-CH2 4.47Å; L92-W293 HydrophobicContact CG-CZ2 4.23Å; L92-P322 HydrophobicContact CD1-CB 4.13Å; L92-L323 HydrophobicContact CD1-CD2 3.72Å; L92-L323 HydrophobicContact CD1-CG 4.5Å; L92-L323 HydrophobicContact CD2-CD2 3.71Å; L92-L323 HydrophobicContact CG-CD2 4.36Å; L92-A326 HydrophobicContact CB-CB 3.85Å
93	A	98.6	Very high	97.6	Very high	65 Å²	65	71.1 Å²	71.1	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-57.6	-42	177.1	0	0	0	0	0	111.4	K89 D90 S97	K89-A93 PolarHBondContact O-N 2.89Å; D90-A93 PolarHBondContact O-N 3.06Å; A93-S97 PolarHBondContact O-N 3.12Å
94	K	98.6	Very high	97.9	Very high	151 Å²	151	76.4 Å²	76.4	66%	0.657	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-41.2	174.2	-175.3	-179.9	179.7	-179	0	112.7	D90 L92 A96 S97 V98	D90-K94 WeakPolarHBondContact O-CB 3.39Å; D90-K94 PolarHBondContact O-N 3.01Å; L92-K94 VanDerWaalsContact C-N 3.25Å; L92-K94 PolarHBondContact O-N 2.92Å; K94-A96 VanDerWaalsContact C-N 3.29Å; K94-A96 PolarHBondContact O-N 3.43Å; K94-S97 PolarHBondContact O-N 3.3Å; K94-S97 PolarHBondContact O-OG 3.4Å; K94-V98 WeakPolarHBondContact O-CG2 3.38Å
95	A	98.4	Very high	98.1	Very high	5 Å²	5	76.2 Å²	76.2	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-39.5	177.9	0	0	0	0	0	111.1	A91 L92 S97 V98 M101 P322 E325	A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 2.98Å; L92-A95 PolarHBondContact O-N 3.05Å; L92-A95 VanDerWaalsContact O-N 3.12Å; A95-S97 VanDerWaalsContact C-N 3.27Å; A95-S97 PolarHBondContact O-N 3.35Å; A95-V98 PolarHBondContact O-N 3.13Å; A95-M101 VanDerWaalsContact O-CB 3.27Å; A95-M101 WeakPolarHBondContact O-CB 3.33Å; A95-P322 HydrophobicContact CB-CB 3.88Å; A95-E325 HydrophobicContact CB-CB 4.34Å; A95-E325 HydrophobicContact CB-CG 4.32Å
96	A	98.4	Very high	98.2	Very high	52 Å²	52	79 Å²	79	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-32.6	177.9	0	0	0	0	0	113.2	L92 K94 V98 N102	L92-A96 PolarHBondContact O-N 3.36Å; K94-A96 VanDerWaalsContact C-N 3.29Å; K94-A96 PolarHBondContact O-N 3.43Å; A96-V98 VanDerWaalsContact C-N 3.28Å; A96-V98 PolarHBondContact O-N 3.11Å; A96-N102 PolarHBondContact O-ND2 3.34Å
97	S	98.3	Very high	98.3	Very high	91 Å²	91	76.1 Å²	76.1	64%	0.636	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-0.1	179	67.7	0	0	0	0	114.8	A93 K94 A95	A93-S97 PolarHBondContact O-N 3.12Å; K94-S97 PolarHBondContact O-N 3.3Å; K94-S97 PolarHBondContact O-OG 3.4Å; A95-S97 VanDerWaalsContact C-N 3.27Å; A95-S97 PolarHBondContact O-N 3.35Å
98	V	98.4	Very high	98.3	Very high	53 Å²	53	75.2 Å²	75.2	32%	0.321	38%	0.383	S	S	.	.	S	Bend	trans	-106	110.4	179.1	175.9	0	0	0	0	109.8	K94 A95 A96 R100 M101 N102	K94-V98 WeakPolarHBondContact O-CG2 3.38Å; A95-V98 PolarHBondContact O-N 3.13Å; A96-V98 VanDerWaalsContact C-N 3.28Å; A96-V98 PolarHBondContact O-N 3.11Å; V98-R100 VanDerWaalsContact C-N 3.33Å; V98-R100 HydrophobicContact CG1-CG 3.75Å; V98-R100 PolarHBondContact O-N 2.92Å; V98-R100 VanDerWaalsContact O-N 3.11Å; V98-M101 HydrophobicContact CB-CB 4.24Å; V98-M101 HydrophobicContact CB-CG 3.88Å; V98-M101 HydrophobicContact CG1-CB 4.42Å; V98-M101 HydrophobicContact CG1-CG 3.77Å; V98-M101 WeakPolarHBondContact O-CB 3.5Å; V98-M101 PolarHBondContact O-N 3.34Å; V98-N102 PolarHBondContact O-ND2 2.81Å
99	D	98.2	Very high	98.4	Very high	140 Å²	140	75.2 Å²	75.2	75%	0.749	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-46.2	-49.4	-172.7	-65.3	-18.6	0	0	0	114.5	M101 N102	D99-M101 PolarHBondContact O-N 3.35Å; D99-N102 WeakPolarHBondContact O-CB 3.13Å; D99-N102 PolarHBondContact O-N 2.94Å; D99-N102 VanDerWaalsContact O-N 3.1Å
100	R	96.9	Very high	98.5	Very high	190 Å²	190	71.3 Å²	71.3	72%	0.717	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64	-25.2	-179.4	63.7	169.2	-172.8	175.6	4.5	114.1	V98 N102 Q103	V98-R100 VanDerWaalsContact C-N 3.33Å; V98-R100 HydrophobicContact CG1-CG 3.75Å; V98-R100 PolarHBondContact O-N 2.92Å; V98-R100 VanDerWaalsContact O-N 3.11Å; R100-N102 PolarHBondContact O-N 3.09Å; R100-Q103 PolarHBondContact O-N 2.89Å
101	M	98.3	Very high	98.5	Very high	19 Å²	19	69.7 Å²	69.7	9%	0.094	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-76.5	-9.8	178.9	-66.4	-65.2	123.6	0	0	112.2	A95 V98 D99 T321 P322 E325	A95-M101 VanDerWaalsContact O-CB 3.27Å; A95-M101 WeakPolarHBondContact O-CB 3.33Å; V98-M101 HydrophobicContact CB-CB 4.24Å; V98-M101 HydrophobicContact CB-CG 3.88Å; V98-M101 HydrophobicContact CG1-CB 4.42Å; V98-M101 HydrophobicContact CG1-CG 3.77Å; V98-M101 WeakPolarHBondContact O-CB 3.5Å; V98-M101 PolarHBondContact O-N 3.34Å; D99-M101 PolarHBondContact O-N 3.35Å; M101-T321 VanDerWaalsContact O-CB 3.23Å; M101-T321 WeakPolarHBondContact O-CB 3.25Å; M101-T321 WeakPolarHBondContact O-CG2 3.48Å; M101-T321 HydrophobicContact SD-CG2 4.12Å; M101-P322 VanDerWaalsContact O-CD 3.22Å; M101-P322 WeakPolarHBondContact O-CD 3.42Å; M101-E325 HydrophobicContact SD-CB 4.03Å; M101-E325 HydrophobicContact SD-CG 4.01Å
102	N	98	Very high	98.5	Very high	81 Å²	81	71 Å²	71	43%	0.433	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-92.4	-0.8	174.6	-62.4	-67.8	0	0	0	112.9	A96 V98 D99 R100	A96-N102 PolarHBondContact O-ND2 3.34Å; V98-N102 PolarHBondContact O-ND2 2.81Å; D99-N102 WeakPolarHBondContact O-CB 3.13Å; D99-N102 PolarHBondContact O-N 2.94Å; D99-N102 VanDerWaalsContact O-N 3.1Å; R100-N102 PolarHBondContact O-N 3.09Å
103	Q	98.6	Very high	98.5	Very high	127 Å²	127	69 Å²	69	59%	0.593	36%	0.359	S	S	*	.	S	Bend	trans	-105.1	174.1	179.6	-56.1	-54.6	-41.3	0	0	111.5	R100 T321	R100-Q103 PolarHBondContact O-N 2.89Å; Q103-T321 WeakPolarHBondContact O-CB 3.45Å; Q103-T321 PolarHBondContact O-OG1 2.94Å
104	Y	98.8	Very high	98.5	Very high	198 Å²	198	66 Å²	66	78%	0.776	33%	0.334	S	S	*	.			trans	-57.3	144.2	177.8	-69.8	-53.8	0	0	0	113	T318	Y104-T318 HydrophobicContact CD1-CG2 3.75Å; Y104-T318 HydrophobicContact CE1-CG2 4.17Å
105	T	98.8	Very high	98.5	Very high	24 Å²	24	64.8 Å²	64.8	15%	0.147	33%	0.329	C	S	.	.			trans	-116	179.8	170.6	-174.6	0	0	0	0	110.1	G107 H110 T321	T105-G107 PolarHBondContact O-N 2.78Å; T105-H110 HydrophobicContact CG2-CB 4.1Å; T105-H110 WeakPolarHBondContact OG1-CA 3.15Å; T105-H110 PolarHBondContact OG1-ND1 2.89Å; T105-T321 WeakPolarHBondContact CB-OG1 3.29Å; T105-T321 HydrophobicContact CG2-CG2 4.3Å; T105-T321 VanDerWaalsContact CG2-OG1 3.3Å; T105-T321 WeakPolarHBondContact CG2-OG1 3.18Å; T105-T321 PolarHBondContact N-OG1 2.74Å
106	R	98.7	Very high	98.5	Very high	72 Å²	72	64.6 Å²	64.6	27%	0.272	33%	0.327	S	S	.	.			trans	-50.6	130.5	172.4	175.2	178.9	-178.9	-97.9	2.1	111.3	F108 G109 L132 T318	R106-F108 PolarHBondContact O-N 3.46Å; R106-G109 WeakPolarHBondContact CB-O 3.46Å; R106-G109 CarbonylContact O-C 3.47Å; R106-G109 PolarHBondContact O-N 2.88Å; R106-G109 VanDerWaalsContact O-N 3.12Å; R106-L132 PolarHBondContact NH2-O 3.38Å; R106-T318 PolarHBondContact O-OG1 2.86Å
107	G	98.5	Very high	98.6	Very high	13 Å²	13	62.1 Å²	62.1	13%	0.134	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-49.6	-175.7	0	0	0	0	0	114.4	T105 G109 Y317	T105-G107 PolarHBondContact O-N 2.78Å; G107-G109 PolarHBondContact O-N 2.83Å; G107-G109 VanDerWaalsContact O-N 3.13Å; G107-Y317 CarbonylContact C-O 3.59Å; G107-Y317 WeakPolarHBondContact CA-O 3.43Å
108	F	98.8	Very high	98.6	Very high	43 Å²	43	58.6 Å²	58.6	19%	0.189	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	10.5	-177.9	-49.7	-39.4	0	0	0	114.6	R106 L136 V137 Q309 Q313	R106-F108 PolarHBondContact O-N 3.46Å; F108-L136 HydrophobicContact CB-CD1 3.75Å; F108-L136 HydrophobicContact CD1-CD1 3.96Å; F108-L136 HydrophobicContact CG-CD1 4.24Å; F108-V137 PolarHBondContact O-N 3.25Å; F108-V137 VanDerWaalsContact O-N 3.09Å; F108-Q309 HydrophobicContact CB-CG 4.36Å; F108-Q309 HydrophobicContact CD1-CB 3.93Å; F108-Q309 HydrophobicContact CD1-CG 3.83Å; F108-Q309 HydrophobicContact CD2-CB 4.41Å; F108-Q309 HydrophobicContact CD2-CG 4Å; F108-Q309 HydrophobicContact CE1-CB 3.67Å; F108-Q309 HydrophobicContact CE1-CG 4.08Å; F108-Q309 WeakPolarHBondContact CE1-O 3.38Å; F108-Q309 HydrophobicContact CE2-CB 4.18Å; F108-Q309 HydrophobicContact CE2-CG 4.24Å; F108-Q309 HydrophobicContact CG-CB 4.31Å; F108-Q309 HydrophobicContact CG-CG 3.8Å; F108-Q309 HydrophobicContact CZ-CB 3.81Å; F108-Q309 HydrophobicContact CZ-CG 4.29Å; F108-Q313 HydrophobicContact CE1-CB 4.02Å; F108-Q313 HydrophobicContact CZ-CB 4.41Å
109	G	98.8	Very high	98.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.01	28%	0.282	C	S	.	.			trans	130.7	141.4	175.4	0	0	0	0	0	113.1	R106 G107	R106-G109 WeakPolarHBondContact CB-O 3.46Å; R106-G109 CarbonylContact O-C 3.47Å; R106-G109 PolarHBondContact O-N 2.88Å; R106-G109 VanDerWaalsContact O-N 3.12Å; G107-G109 PolarHBondContact O-N 2.83Å; G107-G109 VanDerWaalsContact O-N 3.13Å
110	H	98.9	Very high	98.7	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.056	25%	0.246	C	C	.	.			trans	-57.1	132.3	178	-174.8	66.3	0	0	0	111.3	T105 S112 L113 V114 Q324 E325	T105-H110 HydrophobicContact CG2-CB 4.1Å; T105-H110 WeakPolarHBondContact OG1-CA 3.15Å; T105-H110 PolarHBondContact OG1-ND1 2.89Å; H110-S112 VanDerWaalsContact C-N 3.33Å; H110-S112 PolarHBondContact NE2-OG 3.26Å; H110-S112 VanDerWaalsContact NE2-OG 3.16Å; H110-S112 PolarHBondContact O-N 2.89Å; H110-L113 HydrophobicContact CB-CB 4.19Å; H110-L113 WeakPolarHBondContact O-CA 3.22Å; H110-L113 WeakPolarHBondContact O-CB 3.36Å; H110-L113 PolarHBondContact O-N 3.25Å; H110-V114 PolarHBondContact O-N 3.3Å; H110-Q324 HydrophobicContact CB-CB 3.59Å; H110-Q324 HydrophobicContact CB-CG 4.27Å; H110-E325 IonicContact CD2-OE2 3.3Å; H110-E325 IonicContact NE2-OE2 3.66Å; H110-E325 PolarHBondContact NE2-OE2 3.34Å; H110-E325 VanDerWaalsContact NE2-OE2 3.12Å
111	P	98.8	Very high	98.7	Very high	69 Å²	69	43.7 Å²	43.7	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-53	-42.3	-175.5	-30.8	37.1	0	0	0	114.8	L113 V114 K115	P111-L113 VanDerWaalsContact C-N 3.31Å; P111-L113 PolarHBondContact O-N 2.76Å; P111-V114 WeakPolarHBondContact O-CG2 3.3Å; P111-K115 VanDerWaalsContact O-CB 3.29Å; P111-K115 WeakPolarHBondContact O-CB 3.5Å; P111-K115 PolarHBondContact O-N 3.36Å; P111-K115 VanDerWaalsContact O-N 3.13Å
112	S	98.7	Very high	98.8	Very high	42 Å²	42	43.4 Å²	43.4	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-39.7	176.8	-48.1	0	0	0	0	111.7	H110 A116 E325	H110-S112 VanDerWaalsContact C-N 3.33Å; H110-S112 PolarHBondContact NE2-OG 3.26Å; H110-S112 VanDerWaalsContact NE2-OG 3.16Å; H110-S112 PolarHBondContact O-N 2.89Å; S112-A116 WeakPolarHBondContact O-CB 3.25Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-E325 VanDerWaalsContact CB-OE2 3.23Å; S112-E325 WeakPolarHBondContact CB-OE2 3.49Å; S112-E325 PolarHBondContact OG-OE2 3.38Å
113	L	98.9	Very high	98.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.1	-50.7	-177.6	177.7	56.8	0	0	0	111.6	H110 P111 K115 A116 L117 V137 Q324 V327 A328 L331	H110-L113 HydrophobicContact CB-CB 4.19Å; H110-L113 WeakPolarHBondContact O-CA 3.22Å; H110-L113 WeakPolarHBondContact O-CB 3.36Å; H110-L113 PolarHBondContact O-N 3.25Å; P111-L113 VanDerWaalsContact C-N 3.31Å; P111-L113 PolarHBondContact O-N 2.76Å; L113-K115 PolarHBondContact O-N 3.05Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-A116 VanDerWaalsContact O-N 3.1Å; L113-L117 HydrophobicContact CD1-CD1 4.01Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.92Å; L113-L117 HydrophobicContact CG-CG 4.4Å; L113-L117 WeakPolarHBondContact O-CG 3.11Å; L113-L117 PolarHBondContact O-N 3.39Å; L113-V137 HydrophobicContact CD2-CB 4.39Å; L113-V137 HydrophobicContact CD2-CG1 3.76Å; L113-V137 HydrophobicContact CD2-CG2 3.68Å; L113-V137 HydrophobicContact CG-CG2 4.04Å; L113-Q324 HydrophobicContact CB-CB 4.3Å; L113-Q324 HydrophobicContact CD2-CB 3.69Å; L113-Q324 HydrophobicContact CD2-CG 3.66Å; L113-V327 HydrophobicContact CD1-CB 4.17Å; L113-V327 HydrophobicContact CD1-CG1 3.69Å; L113-A328 HydrophobicContact CB-CB 4.1Å; L113-A328 HydrophobicContact CD1-CB 4.35Å; L113-L331 HydrophobicContact CD1-CD1 3.68Å
114	V	98.9	Very high	98.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-32.6	179.7	-64.5	0	0	0	0	111.9	H110 P111 S118 P131 I135 V137	H110-V114 PolarHBondContact O-N 3.3Å; P111-V114 WeakPolarHBondContact O-CG2 3.3Å; V114-S118 VanDerWaalsContact O-CB 3.26Å; V114-S118 WeakPolarHBondContact O-CB 3.37Å; V114-S118 PolarHBondContact O-N 3.48Å; V114-P131 HydrophobicContact CB-CB 4.07Å; V114-P131 VanDerWaalsContact CB-O 3.25Å; V114-P131 WeakPolarHBondContact CB-O 3.42Å; V114-P131 HydrophobicContact CG2-CB 4Å; V114-P131 WeakPolarHBondContact CG2-O 3.35Å; V114-P131 WeakPolarHBondContact O-CB 3.42Å; V114-I135 HydrophobicContact CB-CG2 4.43Å; V114-I135 HydrophobicContact CG1-CG2 4.08Å; V114-I135 WeakPolarHBondContact O-CD1 3.48Å; V114-V137 HydrophobicContact CG1-CG2 3.79Å
115	K	98.9	Very high	98.7	Very high	127 Å²	127	31.4 Å²	31.4	55%	0.552	16%	0.164	S	C	*	.	H	α-helix	trans	-65.8	-45	171.7	-175.6	177.4	-179.8	178.9	0	112	P111 L113 S118 Q119	P111-K115 VanDerWaalsContact O-CB 3.29Å; P111-K115 WeakPolarHBondContact O-CB 3.5Å; P111-K115 PolarHBondContact O-N 3.36Å; P111-K115 VanDerWaalsContact O-N 3.13Å; L113-K115 PolarHBondContact O-N 3.05Å; K115-S118 PolarHBondContact O-N 2.91Å; K115-Q119 WeakPolarHBondContact O-CG 3.44Å; K115-Q119 PolarHBondContact O-N 2.92Å
116	A	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.1	0	0	0	0	0	111.7	S112 L113 Q119 V120 A328 L331 L332	S112-A116 WeakPolarHBondContact O-CB 3.25Å; S112-A116 PolarHBondContact O-N 2.92Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-A116 VanDerWaalsContact O-N 3.1Å; A116-Q119 PolarHBondContact O-N 2.87Å; A116-V120 WeakPolarHBondContact O-CG2 3.33Å; A116-V120 PolarHBondContact O-N 3.4Å; A116-A328 HydrophobicContact CB-CB 4.31Å; A116-L331 HydrophobicContact CB-CB 3.97Å; A116-L331 HydrophobicContact CB-CD1 4.26Å; A116-L332 HydrophobicContact CB-CD1 4.41Å; A116-L332 HydrophobicContact CB-CD2 3.85Å; A116-L332 HydrophobicContact CB-CG 3.73Å
117	L	98.9	Very high	98.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-48.4	174.6	-69.5	168.5	0	0	0	111.1	L113 Q119 V120 Y121 I135 V137 W297 L331	L113-L117 HydrophobicContact CD1-CD1 4.01Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.92Å; L113-L117 HydrophobicContact CG-CG 4.4Å; L113-L117 WeakPolarHBondContact O-CG 3.11Å; L113-L117 PolarHBondContact O-N 3.39Å; L117-Q119 VanDerWaalsContact C-N 3.27Å; L117-Q119 PolarHBondContact O-N 2.86Å; L117-V120 PolarHBondContact O-N 2.98Å; L117-Y121 HydrophobicContact CB-CD2 4.32Å; L117-Y121 HydrophobicContact CD2-CD2 4.07Å; L117-Y121 HydrophobicContact CD2-CE2 3.66Å; L117-Y121 WeakPolarHBondContact O-CB 3.23Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.29Å; L117-Y121 PolarHBondContact O-N 2.92Å; L117-I135 HydrophobicContact CB-CD1 3.79Å; L117-I135 HydrophobicContact CB-CG2 4.35Å; L117-I135 HydrophobicContact CD1-CG2 3.83Å; L117-V137 HydrophobicContact CD1-CG2 4.19Å; L117-W297 HydrophobicContact CD1-CB 3.93Å; L117-W297 HydrophobicContact CD1-CD2 4.04Å; L117-W297 HydrophobicContact CD1-CE3 4.09Å; L117-W297 HydrophobicContact CD1-CG 3.97Å; L117-W297 HydrophobicContact CD2-CD2 3.45Å; L117-W297 VanDerWaalsContact CD2-CD2 3.45Å; L117-W297 HydrophobicContact CD2-CE3 3.73Å; L117-W297 HydrophobicContact CD2-CG 3.9Å; L117-W297 HydrophobicContact CD2-CH2 4.13Å; L117-W297 HydrophobicContact CD2-CZ2 3.89Å; L117-W297 HydrophobicContact CD2-CZ3 4.04Å; L117-W297 HydrophobicContact CG-CD2 4.43Å; L117-L331 HydrophobicContact CD2-CD1 3.54Å; L117-L331 HydrophobicContact CG-CD1 3.89Å
118	S	98.9	Very high	98.6	Very high	17 Å²	17	43.1 Å²	43.1	12%	0.119	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-40.4	176	164	0	0	0	0	112.4	V114 K115 G122 V129	V114-S118 VanDerWaalsContact O-CB 3.26Å; V114-S118 WeakPolarHBondContact O-CB 3.37Å; V114-S118 PolarHBondContact O-N 3.48Å; K115-S118 PolarHBondContact O-N 2.91Å; S118-G122 VanDerWaalsContact O-CA 3.3Å; S118-G122 WeakPolarHBondContact O-CA 3.16Å; S118-G122 PolarHBondContact O-N 3.49Å; S118-V129 VanDerWaalsContact CB-O 3.3Å; S118-V129 WeakPolarHBondContact CB-O 3.42Å; S118-V129 PolarHBondContact OG-O 3.41Å
119	Q	98.8	Very high	98.6	Very high	69 Å²	69	41.2 Å²	41.2	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-69	-49.2	177.2	-71.8	-179.6	-13.4	0	0	113	K115 A116 L117 K123 Y335	K115-Q119 WeakPolarHBondContact O-CG 3.44Å; K115-Q119 PolarHBondContact O-N 2.92Å; A116-Q119 PolarHBondContact O-N 2.87Å; L117-Q119 VanDerWaalsContact C-N 3.27Å; L117-Q119 PolarHBondContact O-N 2.86Å; Q119-K123 PolarHBondContact O-N 3.34Å; Q119-Y335 HydrophobicContact CB-CE1 4.49Å; Q119-Y335 HydrophobicContact CB-CE2 4.49Å; Q119-Y335 WeakPolarHBondContact O-CE2 3.36Å
120	V	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-55.7	179	170.4	0	0	0	0	109.8	A116 L117 G122 K123 V124 W257 L331 Y335 F345	A116-V120 WeakPolarHBondContact O-CG2 3.33Å; A116-V120 PolarHBondContact O-N 3.4Å; L117-V120 PolarHBondContact O-N 2.98Å; V120-G122 VanDerWaalsContact C-N 3.35Å; V120-G122 PolarHBondContact O-N 3.42Å; V120-K123 WeakPolarHBondContact O-CB 3.4Å; V120-K123 PolarHBondContact O-N 2.98Å; V120-V124 HydrophobicContact CG1-CG2 4.47Å; V120-V124 WeakPolarHBondContact O-CG2 3.24Å; V120-V124 PolarHBondContact O-N 3.16Å; V120-W257 HydrophobicContact CG1-CH2 4.36Å; V120-W257 HydrophobicContact CG1-CZ2 4.07Å; V120-L331 HydrophobicContact CG2-CB 4.31Å; V120-L331 HydrophobicContact CG2-CD2 4.43Å; V120-Y335 HydrophobicContact CG2-CD2 4.11Å; V120-Y335 HydrophobicContact CG2-CG 4.34Å; V120-F345 HydrophobicContact CG1-CE2 4.32Å
121	Y	98.8	Very high	98.6	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-74.4	-27	-175.1	-72.5	-75.6	0	0	0	112.3	L117 K123 V124 Y125 E256 W297 I299	L117-Y121 HydrophobicContact CB-CD2 4.32Å; L117-Y121 HydrophobicContact CD2-CD2 4.07Å; L117-Y121 HydrophobicContact CD2-CE2 3.66Å; L117-Y121 WeakPolarHBondContact O-CB 3.23Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.29Å; L117-Y121 PolarHBondContact O-N 2.92Å; Y121-K123 VanDerWaalsContact C-N 3.27Å; Y121-K123 PolarHBondContact O-N 3.33Å; Y121-V124 HydrophobicContact CD1-CB 4.41Å; Y121-V124 PolarHBondContact O-N 3.17Å; Y121-V124 VanDerWaalsContact O-N 3.17Å; Y121-Y125 HydrophobicContact CD1-CD2 4.26Å; Y121-Y125 AromaticContact CD1-CE2 3.69Å; Y121-Y125 HydrophobicContact CD1-CE2 3.69Å; Y121-Y125 HydrophobicContact CG-CE2 4.15Å; Y121-Y125 WeakPolarHBondContact O-CB 3.42Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.33Å; Y121-Y125 PolarHBondContact O-N 3.36Å; Y121-E256 WeakPolarHBondContact CE1-OE1 3.31Å; Y121-E256 WeakPolarHBondContact CE1-OE2 3.14Å; Y121-E256 PolarHBondContact OH-OE1 2.9Å; Y121-W297 AromaticContact CE2-CE2 3.92Å; Y121-W297 HydrophobicContact CE2-CZ2 4.23Å; Y121-W297 AromaticContact CE2-NE1 3.35Å; Y121-W297 AromaticContact CZ-NE1 3.39Å; Y121-W297 WeakPolarHBondContact OH-CZ2 3.47Å; Y121-W297 PolarHBondContact OH-NE1 3.37Å; Y121-I299 HydrophobicContact CD1-CD1 3.9Å; Y121-I299 HydrophobicContact CD2-CD1 3.26Å; Y121-I299 HydrophobicContact CE1-CD1 4.31Å; Y121-I299 HydrophobicContact CE2-CD1 3.75Å; Y121-I299 HydrophobicContact CG-CD1 3.35Å
122	G	98.7	Very high	98.6	Very high	14 Å²	14	46.3 Å²	46.3	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-38.9	171.1	0	0	0	0	0	112.6	S118 V120 S126 R127	S118-G122 VanDerWaalsContact O-CA 3.3Å; S118-G122 WeakPolarHBondContact O-CA 3.16Å; S118-G122 PolarHBondContact O-N 3.49Å; V120-G122 VanDerWaalsContact C-N 3.35Å; V120-G122 PolarHBondContact O-N 3.42Å; G122-S126 WeakPolarHBondContact O-CA 3.38Å; G122-S126 PolarHBondContact O-N 3.05Å; G122-R127 CarbonylContact C-O 3.58Å; G122-R127 WeakPolarHBondContact CA-O 3.37Å; G122-R127 PolarHBondContact O-N 3.45Å; G122-R127 VanDerWaalsContact O-N 3.14Å; G122-R127 VanDerWaalsContact O-O 3.04Å
123	K	98.1	Very high	98.6	Very high	102 Å²	102	48.5 Å²	48.5	44%	0.443	25%	0.247	S	C	.	.	H	α-helix	trans	-68.2	-45.8	171	-176.7	174.2	176.1	-177.2	0	111.9	Q119 V120 Y121 S126 Y335 M338	Q119-K123 PolarHBondContact O-N 3.34Å; V120-K123 WeakPolarHBondContact O-CB 3.4Å; V120-K123 PolarHBondContact O-N 2.98Å; Y121-K123 VanDerWaalsContact C-N 3.27Å; Y121-K123 PolarHBondContact O-N 3.33Å; K123-S126 PolarHBondContact O-N 2.86Å; K123-Y335 HydrophobicContact CB-CE2 3.99Å; K123-Y335 HydrophobicContact CD-CD2 4.49Å; K123-Y335 HydrophobicContact CD-CE2 3.82Å; K123-M338 HydrophobicContact CD-CE 4.49Å; K123-M338 HydrophobicContact CD-SD 3.86Å
124	V	97.6	Very high	98.6	Very high	43 Å²	43	50 Å²	50	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-43.9	-178.3	175.5	0	0	0	0	112.5	V120 Y121 S126 W257 K267 M338	V120-V124 HydrophobicContact CG1-CG2 4.47Å; V120-V124 WeakPolarHBondContact O-CG2 3.24Å; V120-V124 PolarHBondContact O-N 3.16Å; Y121-V124 HydrophobicContact CD1-CB 4.41Å; Y121-V124 PolarHBondContact O-N 3.17Å; Y121-V124 VanDerWaalsContact O-N 3.17Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-W257 HydrophobicContact CG2-CH2 3.77Å; V124-K267 HydrophobicContact CG1-CD 3.78Å; V124-K267 HydrophobicContact CG1-CG 4.43Å; V124-M338 HydrophobicContact CG2-CE 4.38Å
125	Y	98.3	Very high	98.6	Very high	9 Å²	9	50 Å²	50	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-82.4	-8.7	177.9	-70.5	-79.1	0	0	0	113.3	Y121 R127 V129 K267 A269 T270 T280 I299	Y121-Y125 HydrophobicContact CD1-CD2 4.26Å; Y121-Y125 AromaticContact CD1-CE2 3.69Å; Y121-Y125 HydrophobicContact CD1-CE2 3.69Å; Y121-Y125 HydrophobicContact CG-CE2 4.15Å; Y121-Y125 WeakPolarHBondContact O-CB 3.42Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.33Å; Y121-Y125 PolarHBondContact O-N 3.36Å; Y125-R127 PolarHBondContact O-N 2.99Å; Y125-V129 HydrophobicContact CD2-CG2 4.4Å; Y125-K267 HydrophobicContact CD1-CD 4.23Å; Y125-K267 HydrophobicContact CE1-CB 3.99Å; Y125-K267 HydrophobicContact CE1-CD 3.54Å; Y125-K267 HydrophobicContact CE1-CG 4.41Å; Y125-K267 HydrophobicContact CE2-CD 4.05Å; Y125-K267 VanDerWaalsContact CZ-CD 3.44Å; Y125-A269 HydrophobicContact CD1-CB 4.39Å; Y125-A269 HydrophobicContact CE1-CB 3.67Å; Y125-T270 HydrophobicContact CD1-CG2 3.54Å; Y125-T270 HydrophobicContact CE1-CG2 4.24Å; Y125-T270 HydrophobicContact CG-CG2 4.4Å; Y125-T280 WeakPolarHBondContact OH-CB 3.46Å; Y125-T280 WeakPolarHBondContact OH-CG2 3.26Å; Y125-T280 PolarHBondContact OH-OG1 3.42Å; Y125-I299 HydrophobicContact CE2-CG2 4.11Å
126	S	97.7	Very high	98.6	Very high	112 Å²	112	43.9 Å²	43.9	78%	0.783	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.7	-171.4	-59.6	0	0	0	0	112.9	G122 K123 V124	G122-S126 WeakPolarHBondContact O-CA 3.38Å; G122-S126 PolarHBondContact O-N 3.05Å; K123-S126 PolarHBondContact O-N 2.86Å; V124-S126 VanDerWaalsContact C-N 3.31Å
127	R	97.9	Very high	98.6	Very high	69 Å²	69	43.9 Å²	43.9	26%	0.26	23%	0.227	S	C	.	.	S	Bend	trans	-144.3	161.8	175.4	65.9	173.4	58.2	112.8	-1.9	110.1	G122 Y125 V129 A269	G122-R127 CarbonylContact C-O 3.58Å; G122-R127 WeakPolarHBondContact CA-O 3.37Å; G122-R127 PolarHBondContact O-N 3.45Å; G122-R127 VanDerWaalsContact O-N 3.14Å; G122-R127 VanDerWaalsContact O-O 3.04Å; Y125-R127 PolarHBondContact O-N 2.99Å; R127-V129 HydrophobicContact CG-CG2 4.25Å; R127-A269 PolarHBondContact NH1-O 3.34Å; R127-A269 PolarHBondContact NH2-O 3.25Å; R127-A269 VanDerWaalsContact NH2-O 3.1Å
128	Q	98.3	Very high	98.6	Very high	174 Å²	174	43.9 Å²	43.9	81%	0.813	23%	0.227	S	C	*	.			trans	-70.5	137.2	166	-65.6	-61.4	-37.2	0	0	109
129	V	98.8	Very high	98.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.234	C	C	.	.			trans	-119.9	115.8	173.2	179.6	0	0	0	0	107.1	S118 Y125 R127 P131 E134 I135 W275 I299	S118-V129 VanDerWaalsContact CB-O 3.3Å; S118-V129 WeakPolarHBondContact CB-O 3.42Å; S118-V129 PolarHBondContact OG-O 3.41Å; Y125-V129 HydrophobicContact CD2-CG2 4.4Å; R127-V129 HydrophobicContact CG-CG2 4.25Å; V129-P131 WeakPolarHBondContact O-CD 3.22Å; V129-E134 VanDerWaalsContact CA-OE2 3.29Å; V129-E134 WeakPolarHBondContact CA-OE2 3.43Å; V129-E134 HydrophobicContact CG1-CB 3.94Å; V129-I135 HydrophobicContact CG1-CD1 3.81Å; V129-I135 HydrophobicContact CG1-CG1 3.7Å; V129-W275 HydrophobicContact CG2-CH2 4.38Å; V129-I299 HydrophobicContact CG1-CG2 3.93Å
130	D	98.8	Very high	98.6	Very high	61 Å²	61	42 Å²	42	33%	0.326	22%	0.22	S	C	.	.			trans	-69.6	117.7	-179	-173.9	-55.4	0	0	0	110.2	L132 K133 E134	D130-L132 PolarHBondContact O-N 3.13Å; D130-L132 WeakPolarHBondContact OD1-CA 3.41Å; D130-L132 WeakPolarHBondContact OD1-CB 3.44Å; D130-L132 PolarHBondContact OD1-N 3.44Å; D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 PolarHBondContact O-N 2.93Å; D130-K133 PolarHBondContact OD1-N 2.6Å; D130-E134 HydrophobicContact CB-CB 4.41Å; D130-E134 HydrophobicContact CB-CG 4.1Å; D130-E134 PolarHBondContact N-OE2 2.93Å; D130-E134 WeakPolarHBondContact O-CB 3.32Å; D130-E134 PolarHBondContact O-N 3.37Å
131	P	98.8	Very high	98.5	Very high	36 Å²	36	42.3 Å²	42.3	23%	0.234	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.1	-175.5	27.1	-34.8	0	0	0	113.9	V114 V129	V114-P131 HydrophobicContact CB-CB 4.07Å; V114-P131 VanDerWaalsContact CB-O 3.25Å; V114-P131 WeakPolarHBondContact CB-O 3.42Å; V114-P131 HydrophobicContact CG2-CB 4Å; V114-P131 WeakPolarHBondContact CG2-O 3.35Å; V114-P131 WeakPolarHBondContact O-CB 3.42Å; V129-P131 WeakPolarHBondContact O-CD 3.22Å
132	L	98.6	Very high	98.5	Very high	92 Å²	92	46.6 Å²	46.6	48%	0.482	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-28.8	-177.2	-58.8	-176	0	0	0	112.5	R106 D130	R106-L132 PolarHBondContact NH2-O 3.38Å; D130-L132 PolarHBondContact O-N 3.13Å; D130-L132 WeakPolarHBondContact OD1-CA 3.41Å; D130-L132 WeakPolarHBondContact OD1-CB 3.44Å; D130-L132 PolarHBondContact OD1-N 3.44Å
133	K	98.7	Very high	98.5	Very high	88 Å²	88	46.7 Å²	46.7	38%	0.383	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-32.2	-171.1	-66.3	171.7	154.1	-136.8	0	114.4	D130 E302 I305	D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 PolarHBondContact O-N 2.93Å; D130-K133 PolarHBondContact OD1-N 2.6Å; K133-E302 HydrophobicContact CB-CB 4.12Å; K133-E302 HydrophobicContact CB-CG 3.99Å; K133-E302 WeakPolarHBondContact CD-OE2 3.43Å; K133-E302 VanDerWaalsContact CE-OE1 3.28Å; K133-E302 WeakPolarHBondContact CE-OE1 3.29Å; K133-E302 HydrophobicContact CG-CG 4.41Å; K133-E302 IonicContact NZ-OE1 2.8Å; K133-E302 PolarHBondContact NZ-OE1 3.11Å; K133-E302 VanDerWaalsContact NZ-OE1 3.07Å; K133-E302 IonicContact NZ-OE2 2.67Å; K133-E302 PolarHBondContact NZ-OE2 3.32Å; K133-I305 WeakPolarHBondContact O-CB 3.49Å; K133-I305 VanDerWaalsContact O-CG2 3.3Å; K133-I305 WeakPolarHBondContact O-CG2 3.48Å
134	E	98.9	Very high	98.6	Very high	33 Å²	33	41.8 Å²	41.8	15%	0.154	22%	0.22	C	C	.	.	S	Bend	trans	-110.5	3	-170.6	-65.3	-178.6	142.7	0	0	112.8	V129 D130 W275 I299 G300	V129-E134 VanDerWaalsContact CA-OE2 3.29Å; V129-E134 WeakPolarHBondContact CA-OE2 3.43Å; V129-E134 HydrophobicContact CG1-CB 3.94Å; D130-E134 HydrophobicContact CB-CB 4.41Å; D130-E134 HydrophobicContact CB-CG 4.1Å; D130-E134 PolarHBondContact N-OE2 2.93Å; D130-E134 WeakPolarHBondContact O-CB 3.32Å; D130-E134 PolarHBondContact O-N 3.37Å; E134-W275 HydrophobicContact CG-CZ2 4.45Å; E134-W275 WeakPolarHBondContact OE1-CZ2 3.41Å; E134-I299 WeakPolarHBondContact O-CA 3.28Å; E134-G300 WeakPolarHBondContact CA-O 3.32Å; E134-G300 WeakPolarHBondContact CB-O 3.39Å; E134-G300 WeakPolarHBondContact CG-O 3.46Å; E134-G300 PolarHBondContact O-N 2.82Å; E134-G300 VanDerWaalsContact O-N 3.13Å
135	I	98.9	Very high	98.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.7	179.1	-52.4	-174.9	0	0	0	109.8	V114 L117 V129 S298 I299	V114-I135 HydrophobicContact CB-CG2 4.43Å; V114-I135 HydrophobicContact CG1-CG2 4.08Å; V114-I135 WeakPolarHBondContact O-CD1 3.48Å; L117-I135 HydrophobicContact CB-CD1 3.79Å; L117-I135 HydrophobicContact CB-CG2 4.35Å; L117-I135 HydrophobicContact CD1-CG2 3.83Å; V129-I135 HydrophobicContact CG1-CD1 3.81Å; V129-I135 HydrophobicContact CG1-CG1 3.7Å; I135-S298 WeakPolarHBondContact CA-O 3.44Å; I135-I299 HydrophobicContact CG1-CG1 4.31Å
136	L	98.9	Very high	98.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.1	168.1	173.4	63.8	0	0	0	109.6	F108 T138 W297 S298 I305 L308 Q309 M312	F108-L136 HydrophobicContact CB-CD1 3.75Å; F108-L136 HydrophobicContact CD1-CD1 3.96Å; F108-L136 HydrophobicContact CG-CD1 4.24Å; L136-T138 HydrophobicContact CD2-CG2 4.03Å; L136-T138 HydrophobicContact CG-CG2 3.89Å; L136-W297 CarbonylContact O-C 3.51Å; L136-W297 WeakPolarHBondContact O-CA 3.3Å; L136-S298 PolarHBondContact N-O 3.1Å; L136-S298 PolarHBondContact O-N 2.97Å; L136-I305 HydrophobicContact CB-CG2 4.32Å; L136-L308 HydrophobicContact CD2-CB 3.48Å; L136-L308 VanDerWaalsContact CD2-CB 3.48Å; L136-L308 HydrophobicContact CD2-CD2 4.41Å; L136-Q309 HydrophobicContact CD1-CG 4.11Å; L136-Q309 HydrophobicContact CD2-CG 4.49Å; L136-M312 HydrophobicContact CD1-CB 4.23Å; L136-M312 HydrophobicContact CD1-CG 4.18Å; L136-M312 HydrophobicContact CD2-CB 4.25Å
137	V	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138.2	170.7	-179.5	0	0	0	0	110	F108 L113 V114 L117 L295 G296 C319 Q324	F108-V137 PolarHBondContact O-N 3.25Å; F108-V137 VanDerWaalsContact O-N 3.09Å; L113-V137 HydrophobicContact CD2-CB 4.39Å; L113-V137 HydrophobicContact CD2-CG1 3.76Å; L113-V137 HydrophobicContact CD2-CG2 3.68Å; L113-V137 HydrophobicContact CG-CG2 4.04Å; V114-V137 HydrophobicContact CG1-CG2 3.79Å; L117-V137 HydrophobicContact CD1-CG2 4.19Å; V137-L295 HydrophobicContact CG1-CD2 4.17Å; V137-G296 WeakPolarHBondContact CA-O 3.38Å; V137-C319 HydrophobicContact CG1-CB 4.38Å; V137-Q324 HydrophobicContact CG1-CG 4.27Å
138	T	98.9	Very high	98.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	170.8	-174.1	63.7	0	0	0	0	111.8	L136 G140 S144 G296	L136-T138 HydrophobicContact CD2-CG2 4.03Å; L136-T138 HydrophobicContact CG-CG2 3.89Å; T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 3.35Å; T138-G140 PolarHBondContact OG1-O 3.4Å; T138-G140 VanDerWaalsContact OG1-O 3.04Å; T138-S144 PolarHBondContact OG1-N 3.27Å; T138-S144 PolarHBondContact OG1-OG 2.65Å; T138-G296 PolarHBondContact N-O 3.12Å; T138-G296 PolarHBondContact O-N 3.35Å; T138-G296 PolarHBondContact OG1-O 3.4Å
139	V	98.8	Very high	98.8	Very high	43 Å²	43	25.4 Å²	25.4	26%	0.261	13%	0.131	S	C	.	.	S	Bend	trans	-77.9	77.2	175.1	-175.9	0	0	0	0	110.7	G143 K294 L316	V139-G143 PolarHBondContact O-N 2.64Å; V139-K294 CarbonylContact C-O 3.49Å; V139-K294 WeakPolarHBondContact CA-O 3.46Å; V139-K294 HydrophobicContact CG1-CB 3.99Å; V139-L316 HydrophobicContact CB-CD1 4.05Å; V139-L316 HydrophobicContact CG2-CD1 3.52Å
140	G	98.5	Very high	98.8	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	76.1	171	-178.3	0	0	0	0	0	112.7	T138 Y142 G143 S144 K294 L295	T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 3.35Å; T138-G140 PolarHBondContact OG1-O 3.4Å; T138-G140 VanDerWaalsContact OG1-O 3.04Å; G140-Y142 PolarHBondContact O-N 2.82Å; G140-Y142 VanDerWaalsContact O-N 3.08Å; G140-G143 PolarHBondContact O-N 3Å; G140-S144 PolarHBondContact O-N 3.26Å; G140-K294 VanDerWaalsContact N-C 3.32Å; G140-K294 PolarHBondContact N-O 3.2Å; G140-L295 VanDerWaalsContact CA-C 3.43Å
141	G	98.6	Very high	98.8	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	14%	0.14	C	C	.	.	H	α-helix	trans	-54.1	-29.7	172.1	0	0	0	0	0	112.9	G143 S144 L145	G141-G143 PolarHBondContact O-N 3.2Å; G141-S144 WeakPolarHBondContact O-CB 3.5Å; G141-S144 PolarHBondContact O-N 3.13Å; G141-L145 WeakPolarHBondContact O-CG 3.46Å; G141-L145 PolarHBondContact O-N 3.29Å
142	Y	98.7	Very high	98.8	Very high	91 Å²	91	25.6 Å²	25.6	36%	0.357	13%	0.133	S	C	.	.	H	α-helix	trans	-59.8	-43.6	173.1	-146.5	-82	0	0	0	112.8	G140 L145 F146 F166 C168 M172	G140-Y142 PolarHBondContact O-N 2.82Å; G140-Y142 VanDerWaalsContact O-N 3.08Å; Y142-L145 PolarHBondContact O-N 2.95Å; Y142-F146 WeakPolarHBondContact O-CB 3.25Å; Y142-F146 PolarHBondContact O-N 3.13Å; Y142-F166 AromaticContact CD2-CE1 3.94Å; Y142-F166 HydrophobicContact CD2-CE1 3.94Å; Y142-F166 HydrophobicContact CD2-CZ 4.26Å; Y142-F166 HydrophobicContact CE2-CE1 4.07Å; Y142-F166 HydrophobicContact CE2-CZ 4.25Å; Y142-C168 HydrophobicContact CD2-CB 4.26Å; Y142-C168 HydrophobicContact CE1-CB 4.31Å; Y142-C168 HydrophobicContact CE2-CB 3.33Å; Y142-C168 WeakPolarHBondContact OH-CB 3.46Å; Y142-M172 HydrophobicContact CD1-CE 3.28Å; Y142-M172 HydrophobicContact CD2-CE 4.46Å; Y142-M172 HydrophobicContact CE1-CE 3.11Å; Y142-M172 HydrophobicContact CE2-CE 4.34Å; Y142-M172 HydrophobicContact CG-CE 3.99Å
143	G	98.8	Very high	98.9	Very high	15 Å²	15	21.5 Å²	21.5	16%	0.155	11%	0.112	C	C	.	.	H	α-helix	trans	-69.1	-33.9	175.8	0	0	0	0	0	112.6	V139 G140 G141 S147	V139-G143 PolarHBondContact O-N 2.64Å; G140-G143 PolarHBondContact O-N 3Å; G141-G143 PolarHBondContact O-N 3.2Å; G143-S147 WeakPolarHBondContact O-CB 3.46Å; G143-S147 PolarHBondContact O-N 3.19Å; G143-S147 PolarHBondContact O-OG 3Å
144	S	98.9	Very high	98.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-50.3	171.3	-67.3	0	0	0	0	111.8	T138 G140 G141 F146 S147 T148 W297 S298	T138-S144 PolarHBondContact OG1-N 3.27Å; T138-S144 PolarHBondContact OG1-OG 2.65Å; G140-S144 PolarHBondContact O-N 3.26Å; G141-S144 WeakPolarHBondContact O-CB 3.5Å; G141-S144 PolarHBondContact O-N 3.13Å; S144-F146 PolarHBondContact O-N 3.33Å; S144-S147 PolarHBondContact O-N 3.4Å; S144-T148 VanDerWaalsContact O-CB 3.31Å; S144-T148 WeakPolarHBondContact O-CB 3.33Å; S144-T148 PolarHBondContact O-N 2.85Å; S144-T148 PolarHBondContact O-OG1 2.86Å; S144-W297 PolarHBondContact OG-N 3.5Å; S144-W297 PolarHBondContact OG-O 3.11Å; S144-S298 VanDerWaalsContact CB-OG 3.27Å; S144-S298 WeakPolarHBondContact CB-OG 3.43Å; S144-S298 PolarHBondContact OG-OG 2.9Å
145	L	98.9	Very high	98.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-48.5	176.9	-72.2	160.7	0	0	0	111	G141 Y142 S147 T148 I149 F166 Y169 M172 D252 I281	G141-L145 WeakPolarHBondContact O-CG 3.46Å; G141-L145 PolarHBondContact O-N 3.29Å; Y142-L145 PolarHBondContact O-N 2.95Å; L145-S147 PolarHBondContact O-N 3.09Å; L145-T148 PolarHBondContact O-N 2.86Å; L145-I149 WeakPolarHBondContact O-CG1 3.25Å; L145-I149 PolarHBondContact O-N 3.16Å; L145-F166 HydrophobicContact CD1-CD1 4.48Å; L145-Y169 HydrophobicContact CD1-CD1 4.23Å; L145-Y169 HydrophobicContact CD1-CE1 3.69Å; L145-Y169 HydrophobicContact CD2-CD1 4.16Å; L145-Y169 HydrophobicContact CD2-CE1 3.77Å; L145-Y169 HydrophobicContact CG-CE1 4.39Å; L145-M172 HydrophobicContact CB-CE 4.22Å; L145-M172 HydrophobicContact CB-SD 3.77Å; L145-D252 HydrophobicContact CD2-CB 4.49Å; L145-I281 HydrophobicContact CB-CD1 4.44Å; L145-I281 HydrophobicContact CD2-CD1 3.44Å; L145-I281 VanDerWaalsContact CD2-CD1 3.44Å; L145-I281 HydrophobicContact CG-CD1 3.75Å
146	F	98.9	Very high	98.8	Very high	56 Å²	56	31.8 Å²	31.8	25%	0.246	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-49.4	178.3	-178	-97.3	0	0	0	112	Y142 S144 T148 I149 Q150 M172 M175 V311 T315	Y142-F146 WeakPolarHBondContact O-CB 3.25Å; Y142-F146 PolarHBondContact O-N 3.13Å; S144-F146 PolarHBondContact O-N 3.33Å; F146-T148 VanDerWaalsContact C-N 3.28Å; F146-T148 PolarHBondContact O-N 2.88Å; F146-I149 PolarHBondContact O-N 2.84Å; F146-Q150 HydrophobicContact CD1-CG 4.17Å; F146-Q150 HydrophobicContact CD2-CG 4.06Å; F146-Q150 HydrophobicContact CE1-CG 3.83Å; F146-Q150 HydrophobicContact CE2-CG 3.71Å; F146-Q150 HydrophobicContact CG-CG 4.29Å; F146-Q150 HydrophobicContact CZ-CG 3.59Å; F146-Q150 VanDerWaalsContact O-CB 3.31Å; F146-Q150 WeakPolarHBondContact O-CB 3.46Å; F146-Q150 VanDerWaalsContact O-CG 3.26Å; F146-Q150 WeakPolarHBondContact O-CG 3.14Å; F146-Q150 PolarHBondContact O-N 3.49Å; F146-M172 HydrophobicContact CB-CE 4.02Å; F146-M172 HydrophobicContact CB-SD 4.25Å; F146-M175 HydrophobicContact CE2-CE 4.33Å; F146-M175 HydrophobicContact CE2-SD 4.15Å; F146-V311 HydrophobicContact CD1-CG1 4.45Å; F146-V311 HydrophobicContact CE1-CG1 4.25Å; F146-T315 HydrophobicContact CE1-CG2 4.21Å
147	S	98.9	Very high	98.8	Very high	3 Å²	3	33 Å²	33	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-35.2	179.8	-54.5	0	0	0	0	112	G143 S144 L145 G151	G143-S147 WeakPolarHBondContact O-CB 3.46Å; G143-S147 PolarHBondContact O-N 3.19Å; G143-S147 PolarHBondContact O-OG 3Å; S144-S147 PolarHBondContact O-N 3.4Å; L145-S147 PolarHBondContact O-N 3.09Å; S147-G151 PolarHBondContact O-N 2.88Å
148	T	98.9	Very high	98.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-52.4	177.3	-56.1	0	0	0	0	110.5	S144 L145 F146 G151 L152 F250 I279 L308	S144-T148 VanDerWaalsContact O-CB 3.31Å; S144-T148 WeakPolarHBondContact O-CB 3.33Å; S144-T148 PolarHBondContact O-N 2.85Å; S144-T148 PolarHBondContact O-OG1 2.86Å; L145-T148 PolarHBondContact O-N 2.86Å; F146-T148 VanDerWaalsContact C-N 3.28Å; F146-T148 PolarHBondContact O-N 2.88Å; T148-G151 PolarHBondContact O-N 2.94Å; T148-L152 HydrophobicContact CG2-CD1 4.06Å; T148-L152 WeakPolarHBondContact O-CB 3.3Å; T148-L152 PolarHBondContact O-N 3.37Å; T148-L152 VanDerWaalsContact O-N 3.13Å; T148-F250 HydrophobicContact CG2-CB 4.43Å; T148-F250 HydrophobicContact CG2-CD1 3.43Å; T148-F250 VanDerWaalsContact CG2-CD1 3.43Å; T148-F250 HydrophobicContact CG2-CD2 3.95Å; T148-F250 HydrophobicContact CG2-CE1 3.53Å; T148-F250 HydrophobicContact CG2-CE2 4.04Å; T148-F250 HydrophobicContact CG2-CG 3.67Å; T148-F250 HydrophobicContact CG2-CZ 3.85Å; T148-I279 HydrophobicContact CG2-CB 4.09Å; T148-I279 HydrophobicContact CG2-CG1 4.17Å; T148-I279 HydrophobicContact CG2-CG2 4.06Å; T148-L308 WeakPolarHBondContact OG1-CD2 3.36Å
149	I	98.9	Very high	98.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-49.3	-177.4	-66.8	166	0	0	0	110.2	L145 F146 G151 L152 V153 M172 V173 A176 I218 F250	L145-I149 WeakPolarHBondContact O-CG1 3.25Å; L145-I149 PolarHBondContact O-N 3.16Å; F146-I149 PolarHBondContact O-N 2.84Å; I149-G151 PolarHBondContact O-N 3.18Å; I149-L152 PolarHBondContact O-N 2.69Å; I149-V153 HydrophobicContact CG2-CB 4.2Å; I149-V153 HydrophobicContact CG2-CG2 4.16Å; I149-V153 VanDerWaalsContact O-CB 3.23Å; I149-V153 WeakPolarHBondContact O-CB 3.23Å; I149-V153 PolarHBondContact O-N 3.39Å; I149-M172 HydrophobicContact CD1-CB 3.53Å; I149-M172 HydrophobicContact CD1-CG 4.38Å; I149-M172 HydrophobicContact CD1-SD 3.96Å; I149-M172 HydrophobicContact CG2-CB 4.38Å; I149-V173 HydrophobicContact CD1-CG2 4.3Å; I149-V173 HydrophobicContact CG2-CG2 4.45Å; I149-A176 HydrophobicContact CG2-CB 3.98Å; I149-I218 HydrophobicContact CD1-CD1 4.18Å; I149-F250 HydrophobicContact CG1-CD2 4.41Å; I149-F250 HydrophobicContact CG1-CE2 4.35Å
150	Q	98.9	Very high	98.8	Very high	63 Å²	63	32 Å²	32	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-66	-23	179.5	-66.5	-68.4	-61.9	0	0	113.8	F146 V311	F146-Q150 HydrophobicContact CD1-CG 4.17Å; F146-Q150 HydrophobicContact CD2-CG 4.06Å; F146-Q150 HydrophobicContact CE1-CG 3.83Å; F146-Q150 HydrophobicContact CE2-CG 3.71Å; F146-Q150 HydrophobicContact CG-CG 4.29Å; F146-Q150 HydrophobicContact CZ-CG 3.59Å; F146-Q150 VanDerWaalsContact O-CB 3.31Å; F146-Q150 WeakPolarHBondContact O-CB 3.46Å; F146-Q150 VanDerWaalsContact O-CG 3.26Å; F146-Q150 WeakPolarHBondContact O-CG 3.14Å; F146-Q150 PolarHBondContact O-N 3.49Å; Q150-V311 HydrophobicContact CB-CG1 4.06Å; Q150-V311 HydrophobicContact CB-CG2 3.96Å
151	G	98.9	Very high	98.8	Very high	22 Å²	22	31.9 Å²	31.9	23%	0.227	18%	0.176	C	C	.	.	H	α-helix	trans	-90.1	-19.6	-179.1	0	0	0	0	0	114.2	S147 T148 I149 H307	S147-G151 PolarHBondContact O-N 2.88Å; T148-G151 PolarHBondContact O-N 2.94Å; I149-G151 PolarHBondContact O-N 3.18Å; G151-H307 WeakPolarHBondContact O-CB 3.48Å
152	L	98.9	Very high	98.8	Very high	17 Å²	17	32 Å²	32	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-132.3	-6.1	-167.2	-61.4	172	0	0	0	114.3	T148 I149 K215 L248 F250 I279 L304 H307 L308	T148-L152 HydrophobicContact CG2-CD1 4.06Å; T148-L152 WeakPolarHBondContact O-CB 3.3Å; T148-L152 PolarHBondContact O-N 3.37Å; T148-L152 VanDerWaalsContact O-N 3.13Å; I149-L152 PolarHBondContact O-N 2.69Å; L152-K215 WeakPolarHBondContact O-CD 3.33Å; L152-K215 WeakPolarHBondContact O-CG 3.34Å; L152-L248 HydrophobicContact CB-CD1 4.02Å; L152-L248 HydrophobicContact CD1-CD1 4.14Å; L152-L248 HydrophobicContact CD2-CD1 4.45Å; L152-L248 HydrophobicContact CG-CD1 4.44Å; L152-F250 HydrophobicContact CB-CE1 4.49Å; L152-F250 HydrophobicContact CB-CZ 4Å; L152-F250 HydrophobicContact CD1-CE1 3.79Å; L152-F250 HydrophobicContact CD1-CZ 4.12Å; L152-I279 HydrophobicContact CD1-CG1 4.14Å; L152-L304 HydrophobicContact CD2-CD2 4.26Å; L152-H307 HydrophobicContact CD2-CB 3.85Å; L152-H307 HydrophobicContact CG-CB 4.49Å; L152-L308 HydrophobicContact CD1-CD1 3.78Å; L152-L308 HydrophobicContact CG-CD1 4.15Å
153	V	98.9	Very high	98.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	16%	0.158	C	C	.	.			trans	-119	125.9	-178.6	-178.6	0	0	0	0	109.2	I149 D157 V159 A176 A178 K215 F250	I149-V153 HydrophobicContact CG2-CB 4.2Å; I149-V153 HydrophobicContact CG2-CG2 4.16Å; I149-V153 VanDerWaalsContact O-CB 3.23Å; I149-V153 WeakPolarHBondContact O-CB 3.23Å; I149-V153 PolarHBondContact O-N 3.39Å; V153-D157 HydrophobicContact CG1-CB 4.1Å; V153-V159 HydrophobicContact CG1-CG2 3.85Å; V153-V159 HydrophobicContact CG2-CG2 3.97Å; V153-A176 HydrophobicContact CB-CB 4.38Å; V153-A176 HydrophobicContact CG1-CB 4.23Å; V153-A178 HydrophobicContact CG1-CB 3.25Å; V153-K215 HydrophobicContact CG2-CG 4.33Å; V153-F250 HydrophobicContact CG2-CE2 3.93Å; V153-F250 HydrophobicContact CG2-CZ 4.25Å
154	D	98.8	Very high	98.8	Very high	115 Å²	115	27.1 Å²	27.1	62%	0.615	15%	0.151	S	C	*	.			trans	-108	169.6	179.7	-81.4	-50.3	0	0	0	112.1	G156 D157	D154-G156 PolarHBondContact O-N 3.22Å; D154-D157 PolarHBondContact N-OD2 3.22Å; D154-D157 WeakPolarHBondContact O-CB 3.48Å; D154-D157 PolarHBondContact O-N 3.2Å
155	E	98.6	Very high	98.7	Very high	173 Å²	173	27.7 Å²	27.7	81%	0.808	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	131	174	-172.3	174	176.8	0	0	111.3	D157 G177	E155-D157 VanDerWaalsContact C-N 3.33Å; E155-G177 WeakPolarHBondContact CA-O 3.15Å
156	G	97.3	Very high	98.7	Very high	48 Å²	48	29.6 Å²	29.6	50%	0.495	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-7.7	179.4	0	0	0	0	0	115.7	D154 G177	D154-G156 PolarHBondContact O-N 3.22Å; G156-G177 PolarHBondContact N-O 3.04Å; G156-G177 VanDerWaalsContact N-O 3.11Å
157	D	98.9	Very high	98.5	Very high	26 Å²	26	27.9 Å²	27.9	14%	0.139	16%	0.155	C	C	.	.			trans	-64.1	153.5	170	-78.2	-26.3	0	0	0	111.6	V153 D154 E155 A178 K179 K215	V153-D157 HydrophobicContact CG1-CB 4.1Å; D154-D157 PolarHBondContact N-OD2 3.22Å; D154-D157 WeakPolarHBondContact O-CB 3.48Å; D154-D157 PolarHBondContact O-N 3.2Å; E155-D157 VanDerWaalsContact C-N 3.33Å; D157-A178 HydrophobicContact CB-CB 4.11Å; D157-A178 CarbonylContact O-C 3.57Å; D157-A178 WeakPolarHBondContact O-CA 3.38Å; D157-A178 VanDerWaalsContact O-CB 3.31Å; D157-A178 WeakPolarHBondContact O-CB 3.26Å; D157-K179 PolarHBondContact O-N 2.65Å; D157-K215 HydrophobicContact CB-CB 3.77Å; D157-K215 VanDerWaalsContact CG-CE 3.46Å; D157-K215 WeakPolarHBondContact OD1-CE 3.27Å; D157-K215 WeakPolarHBondContact OD2-CE 3.49Å; D157-K215 IonicContact OD2-NZ 2.84Å
158	E	98.9	Very high	98.4	Very high	23 Å²	23	27.7 Å²	27.7	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.8	167.9	-68.8	-174.1	148.6	0	0	110.3	K179 V181 S211 K213 T214 K215	E158-K179 WeakPolarHBondContact CA-O 3.34Å; E158-K179 HydrophobicContact CG-CB 4.34Å; E158-K179 HydrophobicContact CG-CD 4.29Å; E158-K179 IonicContact OE1-NZ 3.89Å; E158-K179 PolarHBondContact OE1-NZ 3.47Å; E158-V181 HydrophobicContact CB-CG2 3.8Å; E158-V181 HydrophobicContact CG-CG2 3.95Å; E158-S211 PolarHBondContact OE2-OG 3.46Å; E158-K213 HydrophobicContact CB-CB 4.29Å; E158-K213 HydrophobicContact CG-CB 3.87Å; E158-K213 PolarHBondContact N-O 3.04Å; E158-T214 CarbonylContact O-C 3.52Å; E158-T214 WeakPolarHBondContact O-CA 3.41Å; E158-K215 PolarHBondContact O-N 3.38Å
159	V	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.7	174.5	-179.1	0	0	0	0	109	V153 I161 V173 A178 K179 V181 A216 I218	V153-V159 HydrophobicContact CG1-CG2 3.85Å; V153-V159 HydrophobicContact CG2-CG2 3.97Å; V159-I161 HydrophobicContact CG1-CG1 4.36Å; V159-V173 HydrophobicContact CB-CG1 3.91Å; V159-V173 HydrophobicContact CB-CG2 3.86Å; V159-V173 HydrophobicContact CG1-CG2 3.85Å; V159-V173 HydrophobicContact CG2-CG1 3.99Å; V159-V173 HydrophobicContact CG2-CG2 4.08Å; V159-A178 HydrophobicContact CG2-CB 4.45Å; V159-K179 PolarHBondContact N-O 3.28Å; V159-V181 PolarHBondContact O-N 3.35Å; V159-A216 CarbonylContact C-O 3.53Å; V159-A216 WeakPolarHBondContact CA-O 3.42Å; V159-A216 HydrophobicContact CG1-CB 4.42Å; V159-I218 HydrophobicContact CG1-CD1 3.84Å; V159-I218 HydrophobicContact CG1-CG1 3.82Å
160	I	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.5	177.9	-60.5	170.3	0	0	0	109	V181 I183 L206 K209 F210 T214 A216 I217 I218	I160-V181 CarbonylContact C-O 3.58Å; I160-V181 VanDerWaalsContact CA-O 3.26Å; I160-V181 WeakPolarHBondContact CA-O 3.5Å; I160-V181 HydrophobicContact CG1-CB 4.28Å; I160-V181 HydrophobicContact CG1-CG1 4.39Å; I160-I183 HydrophobicContact CG2-CG2 3.79Å; I160-L206 HydrophobicContact CG2-CD1 4.47Å; I160-K209 HydrophobicContact CD1-CB 3.86Å; I160-K209 HydrophobicContact CG1-CB 4.14Å; I160-K209 HydrophobicContact CG2-CB 4.48Å; I160-F210 HydrophobicContact CD1-CD1 4.06Å; I160-F210 HydrophobicContact CD1-CD2 3.59Å; I160-F210 HydrophobicContact CD1-CE1 4.08Å; I160-F210 HydrophobicContact CD1-CE2 3.57Å; I160-F210 HydrophobicContact CD1-CG 3.83Å; I160-F210 HydrophobicContact CD1-CZ 3.83Å; I160-T214 HydrophobicContact CD1-CG2 3.67Å; I160-T214 HydrophobicContact CG1-CG2 3.96Å; I160-A216 PolarHBondContact N-O 3.41Å; I160-I217 HydrophobicContact CB-CB 4.09Å; I160-I217 HydrophobicContact CB-CD1 4.4Å; I160-I217 HydrophobicContact CB-CG1 3.93Å; I160-I217 HydrophobicContact CG2-CD1 3.95Å; I160-I217 HydrophobicContact CG2-CG1 3.91Å; I160-I217 CarbonylContact O-C 3.56Å; I160-I217 WeakPolarHBondContact O-CA 3.4Å; I160-I218 PolarHBondContact O-N 3.41Å
161	I	98.9	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.2	-179.9	-56.8	178.6	0	0	0	109.2	V159 F165 Y169 V170 V173 P180 V181 L182 I183 I218	V159-I161 HydrophobicContact CG1-CG1 4.36Å; I161-F165 HydrophobicContact CG2-CB 3.54Å; I161-F165 HydrophobicContact CG2-CD1 3.76Å; I161-F165 HydrophobicContact CG2-CG 3.79Å; I161-Y169 HydrophobicContact CG2-CD2 4.06Å; I161-V170 HydrophobicContact CD1-CG2 3.87Å; I161-V173 HydrophobicContact CD1-CG2 4.25Å; I161-P180 HydrophobicContact CD1-CB 3.99Å; I161-V181 PolarHBondContact N-O 2.87Å; I161-L182 HydrophobicContact CB-CD2 3.89Å; I161-L182 HydrophobicContact CD1-CD2 4.36Å; I161-L182 HydrophobicContact CG2-CD2 4.38Å; I161-I183 PolarHBondContact O-N 3.06Å; I161-I218 HydrophobicContact CD1-CD1 4.47Å; I161-I218 HydrophobicContact CG1-CD1 4.24Å
162	V	98.8	Very high	98.3	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.3	177.8	-177.1	0	0	0	0	110.4	P164 F165 I183 L185 L201 F230	V162-P164 CarbonylContact O-C 3.59Å; V162-F165 WeakPolarHBondContact O-CB 3.49Å; V162-I183 CarbonylContact C-O 3.55Å; V162-I183 WeakPolarHBondContact CA-O 3.17Å; V162-I183 HydrophobicContact CG2-CG2 4.24Å; V162-L185 HydrophobicContact CG1-CD1 4.27Å; V162-L185 HydrophobicContact CG1-CD2 4.01Å; V162-L185 HydrophobicContact CG1-CG 3.75Å; V162-L201 HydrophobicContact CG1-CD1 4.19Å; V162-L201 HydrophobicContact CG2-CD1 4.46Å; V162-L201 HydrophobicContact CG2-CD2 4.18Å; V162-F230 HydrophobicContact CG1-CZ 4.42Å
163	E	98.5	Very high	98.3	Very high	4 Å²	4	26 Å²	26	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147.8	178.8	-36.4	-178	100.1	0	0	112.2	F165 L182 I183 P184 L185 V422 G423 S426	E163-F165 HydrophobicContact CB-CD1 4.22Å; E163-F165 HydrophobicContact CG-CD1 3.91Å; E163-F165 HydrophobicContact CG-CE1 4.1Å; E163-L182 HydrophobicContact CG-CB 4.06Å; E163-L182 WeakPolarHBondContact OE1-CD1 3.3Å; E163-I183 PolarHBondContact N-O 2.96Å; E163-P184 HydrophobicContact CB-CB 4.28Å; E163-L185 WeakPolarHBondContact O-CB 3.42Å; E163-L185 WeakPolarHBondContact O-CG 3.27Å; E163-L185 PolarHBondContact O-N 3.16Å; E163-V422 HydrophobicContact CB-CG1 4.28Å; E163-G423 PolarHBondContact OE1-N 3.21Å; E163-S426 WeakPolarHBondContact OE2-CB 3.28Å; E163-S426 PolarHBondContact OE2-OG 3.15Å
164	P	98.3	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	S	Bend	cis	-71.6	137.6	-7.6	-10.3	26.3	0	0	0	111.5	V162 N223 P225 I226 V418 F421 V422 F430	V162-P164 CarbonylContact O-C 3.59Å; P164-N223 PolarHBondContact O-ND2 2.92Å; P164-P225 HydrophobicContact CB-CG 3.84Å; P164-P225 HydrophobicContact CG-CG 4.3Å; P164-I226 VanDerWaalsContact CD-CD1 3.43Å; P164-I226 HydrophobicContact CG-CD1 4.02Å; P164-I226 HydrophobicContact CG-CG1 4.15Å; P164-V418 HydrophobicContact CB-CG1 4.42Å; P164-V418 HydrophobicContact CG-CG1 4.22Å; P164-F421 CarbonylContact C-O 3.34Å; P164-F421 WeakPolarHBondContact CA-O 3.29Å; P164-F421 HydrophobicContact CB-CB 3.71Å; P164-F421 WeakPolarHBondContact CB-O 3.45Å; P164-V422 HydrophobicContact CB-CG1 3.71Å; P164-V422 HydrophobicContact CG-CG1 3.98Å; P164-F430 HydrophobicContact CG-CD1 3.86Å; P164-F430 HydrophobicContact CG-CE1 3.39Å; P164-F430 HydrophobicContact CG-CE2 4.33Å; P164-F430 HydrophobicContact CG-CG 4.5Å; P164-F430 HydrophobicContact CG-CZ 3.66Å
165	F	98.1	Very high	98.3	Very high	12 Å²	12	29.3 Å²	29.3	5%	0.053	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-103.3	155.5	-174.9	48.7	-100.1	0	0	0	111.4	I161 V162 E163 D167 Y169 V170 L182 F421	I161-F165 HydrophobicContact CG2-CB 3.54Å; I161-F165 HydrophobicContact CG2-CD1 3.76Å; I161-F165 HydrophobicContact CG2-CG 3.79Å; V162-F165 WeakPolarHBondContact O-CB 3.49Å; E163-F165 HydrophobicContact CB-CD1 4.22Å; E163-F165 HydrophobicContact CG-CD1 3.91Å; E163-F165 HydrophobicContact CG-CE1 4.1Å; F165-D167 PolarHBondContact O-N 3.36Å; F165-Y169 HydrophobicContact CB-CD2 3.67Å; F165-Y169 HydrophobicContact CB-CE2 4.16Å; F165-V170 HydrophobicContact CD1-CG2 4.42Å; F165-V170 HydrophobicContact CD2-CG2 4.15Å; F165-V170 HydrophobicContact CE1-CG2 3.9Å; F165-V170 HydrophobicContact CE2-CB 4.26Å; F165-V170 HydrophobicContact CE2-CG2 3.6Å; F165-V170 HydrophobicContact CZ-CB 4.43Å; F165-V170 HydrophobicContact CZ-CG2 3.47Å; F165-V170 VanDerWaalsContact CZ-CG2 3.47Å; F165-L182 HydrophobicContact CD1-CD2 4.46Å; F165-L182 HydrophobicContact CE1-CD1 4.34Å; F165-L182 HydrophobicContact CE1-CD2 4.09Å; F165-F421 VanDerWaalsContact CD1-O 3.27Å; F165-F421 WeakPolarHBondContact CD1-O 3.41Å; F165-F421 WeakPolarHBondContact CE1-O 3.36Å; F165-F421 WeakPolarHBondContact CG-O 3.38Å; F165-F421 PolarHBondContact N-O 2.96Å; F165-F421 WeakPolarHBondContact O-CB 3.36Å; F165-F421 WeakPolarHBondContact O-CD1 3.27Å
166	F	97.9	Very high	98.3	Very high	42 Å²	42	21.9 Å²	21.9	18%	0.184	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-64.4	129.2	164.4	-178.4	-128.3	0	0	0	109.3	W60 Y142 L145 C168 Y169 N224	W60-F166 HydrophobicContact CZ2-CE2 4.22Å; Y142-F166 AromaticContact CD2-CE1 3.94Å; Y142-F166 HydrophobicContact CD2-CE1 3.94Å; Y142-F166 HydrophobicContact CD2-CZ 4.26Å; Y142-F166 HydrophobicContact CE2-CE1 4.07Å; Y142-F166 HydrophobicContact CE2-CZ 4.25Å; L145-F166 HydrophobicContact CD1-CD1 4.48Å; F166-C168 HydrophobicContact CD1-CB 4.44Å; F166-C168 WeakPolarHBondContact CD1-SG 3.39Å; F166-C168 HydrophobicContact CE1-CB 4.25Å; F166-C168 WeakPolarHBondContact CE1-SG 3.23Å; F166-C168 PolarHBondContact O-N 3.48Å; F166-Y169 HydrophobicContact CB-CD1 4.47Å; F166-Y169 HydrophobicContact CB-CE1 3.83Å; F166-Y169 HydrophobicContact CB-CE2 3.93Å; F166-Y169 WeakPolarHBondContact CB-OH 3.38Å; F166-Y169 AromaticContact CD1-CE1 3.93Å; F166-Y169 HydrophobicContact CD1-CE1 3.93Å; F166-Y169 HydrophobicContact CG-CE1 4.4Å; F166-Y169 PolarHBondContact O-N 2.98Å; F166-Y169 VanDerWaalsContact O-N 3.09Å; F166-N224 VanDerWaalsContact CD2-ND2 3.34Å; F166-N224 WeakPolarHBondContact CD2-ND2 3.4Å
167	D	94.3	Very high	98.4	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.107	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.1	-159.8	61.9	-71.7	0	0	0	114.6	W60 F165 Y169 P171 F421	W60-D167 PolarHBondContact NE1-OD1 3.25Å; W60-D167 PolarHBondContact NE1-OD2 3.26Å; F165-D167 PolarHBondContact O-N 3.36Å; D167-Y169 PolarHBondContact O-N 3.48Å; D167-P171 WeakPolarHBondContact O-CD 3.31Å; D167-P171 WeakPolarHBondContact O-CG 3.26Å; D167-F421 HydrophobicContact CB-CD1 4.14Å; D167-F421 HydrophobicContact CB-CE1 4.18Å
168	C	97.8	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.6	-177.3	76.6	0	0	0	0	115.4	Y142 F166 P171 M172	Y142-C168 HydrophobicContact CD2-CB 4.26Å; Y142-C168 HydrophobicContact CE1-CB 4.31Å; Y142-C168 HydrophobicContact CE2-CB 3.33Å; Y142-C168 WeakPolarHBondContact OH-CB 3.46Å; F166-C168 HydrophobicContact CD1-CB 4.44Å; F166-C168 WeakPolarHBondContact CD1-SG 3.39Å; F166-C168 HydrophobicContact CE1-CB 4.25Å; F166-C168 WeakPolarHBondContact CE1-SG 3.23Å; F166-C168 PolarHBondContact O-N 3.48Å; C168-P171 VanDerWaalsContact O-CD 3.32Å; C168-P171 WeakPolarHBondContact O-CD 3.41Å; C168-P171 WeakPolarHBondContact O-CG 3.49Å; C168-M172 HydrophobicContact CB-CE 4.02Å; C168-M172 WeakPolarHBondContact O-CB 3.42Å; C168-M172 VanDerWaalsContact O-CG 3.23Å; C168-M172 WeakPolarHBondContact O-CG 3.48Å; C168-M172 PolarHBondContact O-N 2.85Å; C168-M172 VanDerWaalsContact O-N 3.09Å
169	Y	98.8	Very high	98.3	Very high	4 Å²	4	25 Å²	25	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-49.5	-174.6	-57.2	-18.4	0	0	0	111.5	L145 I161 F165 F166 D167 M172 V173 I218 N220 D252	L145-Y169 HydrophobicContact CD1-CD1 4.23Å; L145-Y169 HydrophobicContact CD1-CE1 3.69Å; L145-Y169 HydrophobicContact CD2-CD1 4.16Å; L145-Y169 HydrophobicContact CD2-CE1 3.77Å; L145-Y169 HydrophobicContact CG-CE1 4.39Å; I161-Y169 HydrophobicContact CG2-CD2 4.06Å; F165-Y169 HydrophobicContact CB-CD2 3.67Å; F165-Y169 HydrophobicContact CB-CE2 4.16Å; F166-Y169 HydrophobicContact CB-CD1 4.47Å; F166-Y169 HydrophobicContact CB-CE1 3.83Å; F166-Y169 HydrophobicContact CB-CE2 3.93Å; F166-Y169 WeakPolarHBondContact CB-OH 3.38Å; F166-Y169 AromaticContact CD1-CE1 3.93Å; F166-Y169 HydrophobicContact CD1-CE1 3.93Å; F166-Y169 HydrophobicContact CG-CE1 4.4Å; F166-Y169 PolarHBondContact O-N 2.98Å; F166-Y169 VanDerWaalsContact O-N 3.09Å; D167-Y169 PolarHBondContact O-N 3.48Å; Y169-M172 PolarHBondContact O-N 3Å; Y169-V173 WeakPolarHBondContact O-CG2 3.06Å; Y169-V173 PolarHBondContact O-N 3.34Å; Y169-I218 HydrophobicContact CD1-CG2 4.33Å; Y169-I218 HydrophobicContact CD2-CG2 3.69Å; Y169-I218 HydrophobicContact CE1-CG2 4.34Å; Y169-I218 HydrophobicContact CE2-CG2 3.73Å; Y169-I218 HydrophobicContact CG-CD1 4.28Å; Y169-I218 HydrophobicContact CG-CG2 4.04Å; Y169-N220 HydrophobicContact CE2-CB 4.32Å; Y169-N220 WeakPolarHBondContact OH-CB 3.35Å; Y169-D252 WeakPolarHBondContact OH-CB 3.47Å; Y169-D252 PolarHBondContact OH-OD2 2.9Å
170	V	98.5	Very high	98.3	Very high	14 Å²	14	26.1 Å²	26.1	9%	0.085	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-54.1	179.3	170.7	0	0	0	0	113	I161 F165 M172 V173 R174 P180 L182	I161-V170 HydrophobicContact CD1-CG2 3.87Å; F165-V170 HydrophobicContact CD1-CG2 4.42Å; F165-V170 HydrophobicContact CD2-CG2 4.15Å; F165-V170 HydrophobicContact CE1-CG2 3.9Å; F165-V170 HydrophobicContact CE2-CB 4.26Å; F165-V170 HydrophobicContact CE2-CG2 3.6Å; F165-V170 HydrophobicContact CZ-CB 4.43Å; F165-V170 HydrophobicContact CZ-CG2 3.47Å; F165-V170 VanDerWaalsContact CZ-CG2 3.47Å; V170-M172 VanDerWaalsContact C-N 3.33Å; V170-M172 PolarHBondContact O-N 3.22Å; V170-V173 PolarHBondContact O-N 3.43Å; V170-R174 WeakPolarHBondContact O-CG 3.4Å; V170-R174 PolarHBondContact O-N 3.42Å; V170-P180 HydrophobicContact CG1-CG 4.1Å; V170-P180 HydrophobicContact CG2-CB 4.4Å; V170-L182 HydrophobicContact CG2-CD2 4Å
171	P	98.3	Very high	98.3	Very high	40 Å²	40	27 Å²	27	26%	0.26	14%	0.142	S	C	.	.	H	α-helix	trans	-64.7	-34.7	-179.9	23.9	-33.5	0	0	0	112.6	L55 D167 C168 R174 M175	L55-P171 HydrophobicContact CB-CB 4.46Å; L55-P171 HydrophobicContact CD1-CB 4.26Å; L55-P171 WeakPolarHBondContact CD1-O 3.32Å; L55-P171 HydrophobicContact CD2-CB 4.02Å; L55-P171 HydrophobicContact CG-CB 4.49Å; D167-P171 WeakPolarHBondContact O-CD 3.31Å; D167-P171 WeakPolarHBondContact O-CG 3.26Å; C168-P171 VanDerWaalsContact O-CD 3.32Å; C168-P171 WeakPolarHBondContact O-CD 3.41Å; C168-P171 WeakPolarHBondContact O-CG 3.49Å; P171-R174 PolarHBondContact O-N 2.89Å; P171-M175 WeakPolarHBondContact O-CB 3.36Å; P171-M175 PolarHBondContact O-N 3.09Å
172	M	98.8	Very high	98.3	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.044	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-43.3	175.6	-73.5	-178.7	-177.4	0	0	112.4	Y142 L145 F146 I149 C168 Y169 V170 M175 A176	Y142-M172 HydrophobicContact CD1-CE 3.28Å; Y142-M172 HydrophobicContact CD2-CE 4.46Å; Y142-M172 HydrophobicContact CE1-CE 3.11Å; Y142-M172 HydrophobicContact CE2-CE 4.34Å; Y142-M172 HydrophobicContact CG-CE 3.99Å; L145-M172 HydrophobicContact CB-CE 4.22Å; L145-M172 HydrophobicContact CB-SD 3.77Å; F146-M172 HydrophobicContact CB-CE 4.02Å; F146-M172 HydrophobicContact CB-SD 4.25Å; I149-M172 HydrophobicContact CD1-CB 3.53Å; I149-M172 HydrophobicContact CD1-CG 4.38Å; I149-M172 HydrophobicContact CD1-SD 3.96Å; I149-M172 HydrophobicContact CG2-CB 4.38Å; C168-M172 HydrophobicContact CB-CE 4.02Å; C168-M172 WeakPolarHBondContact O-CB 3.42Å; C168-M172 VanDerWaalsContact O-CG 3.23Å; C168-M172 WeakPolarHBondContact O-CG 3.48Å; C168-M172 PolarHBondContact O-N 2.85Å; C168-M172 VanDerWaalsContact O-N 3.09Å; Y169-M172 PolarHBondContact O-N 3Å; V170-M172 VanDerWaalsContact C-N 3.33Å; V170-M172 PolarHBondContact O-N 3.22Å; M172-M175 PolarHBondContact O-N 3.03Å; M172-A176 PolarHBondContact O-N 3.42Å; M172-A176 VanDerWaalsContact O-N 3.16Å
173	V	98.8	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-46.5	176.2	169.2	0	0	0	0	110.8	I149 V159 I161 Y169 V170 M175 A176 G177 A178 P180 I218	I149-V173 HydrophobicContact CD1-CG2 4.3Å; I149-V173 HydrophobicContact CG2-CG2 4.45Å; V159-V173 HydrophobicContact CB-CG1 3.91Å; V159-V173 HydrophobicContact CB-CG2 3.86Å; V159-V173 HydrophobicContact CG1-CG2 3.85Å; V159-V173 HydrophobicContact CG2-CG1 3.99Å; V159-V173 HydrophobicContact CG2-CG2 4.08Å; I161-V173 HydrophobicContact CD1-CG2 4.25Å; Y169-V173 WeakPolarHBondContact O-CG2 3.06Å; Y169-V173 PolarHBondContact O-N 3.34Å; V170-V173 PolarHBondContact O-N 3.43Å; V173-M175 VanDerWaalsContact C-N 3.32Å; V173-M175 PolarHBondContact O-N 3.42Å; V173-A176 WeakPolarHBondContact O-CB 3.23Å; V173-A176 PolarHBondContact O-N 3.42Å; V173-A176 VanDerWaalsContact O-N 3.17Å; V173-G177 PolarHBondContact O-N 2.9Å; V173-A178 HydrophobicContact CG1-CB 3.74Å; V173-A178 PolarHBondContact O-N 3.35Å; V173-A178 VanDerWaalsContact O-N 3.17Å; V173-P180 HydrophobicContact CB-CG 4.21Å; V173-P180 HydrophobicContact CG1-CB 4.39Å; V173-P180 HydrophobicContact CG1-CG 3.82Å; V173-I218 HydrophobicContact CG2-CD1 4.23Å
174	R	98.6	Very high	98.3	Very high	137 Å²	137	29 Å²	29	52%	0.517	15%	0.152	S	C	.	.	H	α-helix	trans	-61.7	-40	176.3	-72.3	-179.8	176.6	171.9	0.7	112.3	L55 V170 P171 A176 G177 P180	L55-R174 HydrophobicContact CD1-CB 4.31Å; L55-R174 HydrophobicContact CD2-CB 4.16Å; V170-R174 WeakPolarHBondContact O-CG 3.4Å; V170-R174 PolarHBondContact O-N 3.42Å; P171-R174 PolarHBondContact O-N 2.89Å; R174-A176 PolarHBondContact O-N 2.9Å; R174-G177 PolarHBondContact O-N 2.83Å; R174-P180 HydrophobicContact CG-CG 3.82Å
175	M	98.6	Very high	98.3	Very high	55 Å²	55	29 Å²	29	27%	0.271	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-26.8	177.8	-175.1	176.6	176.3	0	0	112.9	R51 I52 L55 F146 P171 M172 V173 G177	R51-M175 HydrophobicContact CG-CG 4.21Å; R51-M175 WeakPolarHBondContact O-CA 3.01Å; I52-M175 HydrophobicContact CG2-CE 4.23Å; I52-M175 HydrophobicContact CG2-SD 4.4Å; L55-M175 HydrophobicContact CD1-CB 3.99Å; F146-M175 HydrophobicContact CE2-CE 4.33Å; F146-M175 HydrophobicContact CE2-SD 4.15Å; P171-M175 WeakPolarHBondContact O-CB 3.36Å; P171-M175 PolarHBondContact O-N 3.09Å; M172-M175 PolarHBondContact O-N 3.03Å; V173-M175 VanDerWaalsContact C-N 3.32Å; V173-M175 PolarHBondContact O-N 3.42Å; M175-G177 VanDerWaalsContact C-N 3.27Å
176	A	98.7	Very high	98.1	Very high	18 Å²	18	32.1 Å²	32.1	15%	0.149	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.6	171.4	0	0	0	0	0	113.7	I149 V153 M172 V173 R174 A178	I149-A176 HydrophobicContact CG2-CB 3.98Å; V153-A176 HydrophobicContact CB-CB 4.38Å; V153-A176 HydrophobicContact CG1-CB 4.23Å; M172-A176 PolarHBondContact O-N 3.42Å; M172-A176 VanDerWaalsContact O-N 3.16Å; V173-A176 WeakPolarHBondContact O-CB 3.23Å; V173-A176 PolarHBondContact O-N 3.42Å; V173-A176 VanDerWaalsContact O-N 3.17Å; R174-A176 PolarHBondContact O-N 2.9Å; A176-A178 VanDerWaalsContact C-N 3.33Å
177	G	98.4	Very high	97.9	Very high	37 Å²	37	32.3 Å²	32.3	38%	0.381	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	8	-176.5	0	0	0	0	0	114.2	E155 G156 V173 R174 M175	E155-G177 WeakPolarHBondContact CA-O 3.15Å; G156-G177 PolarHBondContact N-O 3.04Å; G156-G177 VanDerWaalsContact N-O 3.11Å; V173-G177 PolarHBondContact O-N 2.9Å; R174-G177 PolarHBondContact O-N 2.83Å; M175-G177 VanDerWaalsContact C-N 3.27Å
178	A	98.8	Very high	97.7	Very high	8 Å²	8	34.7 Å²	34.7	7%	0.066	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-93.4	163.7	179	0	0	0	0	0	112.6	V153 D157 V159 V173 A176 P180	V153-A178 HydrophobicContact CG1-CB 3.25Å; D157-A178 HydrophobicContact CB-CB 4.11Å; D157-A178 CarbonylContact O-C 3.57Å; D157-A178 WeakPolarHBondContact O-CA 3.38Å; D157-A178 VanDerWaalsContact O-CB 3.31Å; D157-A178 WeakPolarHBondContact O-CB 3.26Å; V159-A178 HydrophobicContact CG2-CB 4.45Å; V173-A178 HydrophobicContact CG1-CB 3.74Å; V173-A178 PolarHBondContact O-N 3.35Å; V173-A178 VanDerWaalsContact O-N 3.17Å; A176-A178 VanDerWaalsContact C-N 3.33Å; A178-P180 WeakPolarHBondContact O-CD 3.3Å
179	K	98.7	Very high	97.1	Very high	117 Å²	117	39.7 Å²	39.7	51%	0.509	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.2	179.1	179.1	-176.4	163.1	-153	0	110.4	D157 E158 V159 V181	D157-K179 PolarHBondContact O-N 2.65Å; E158-K179 WeakPolarHBondContact CA-O 3.34Å; E158-K179 HydrophobicContact CG-CB 4.34Å; E158-K179 HydrophobicContact CG-CD 4.29Å; E158-K179 IonicContact OE1-NZ 3.89Å; E158-K179 PolarHBondContact OE1-NZ 3.47Å; V159-K179 PolarHBondContact N-O 3.28Å; K179-V181 PolarHBondContact O-N 3.14Å
180	P	98.8	Very high	96.1	Very high	24 Å²	24	43.9 Å²	43.9	16%	0.156	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	127.5	166.4	-16.4	29.6	0	0	0	110.5	I161 V170 V173 R174 A178 L182	I161-P180 HydrophobicContact CD1-CB 3.99Å; V170-P180 HydrophobicContact CG1-CG 4.1Å; V170-P180 HydrophobicContact CG2-CB 4.4Å; V173-P180 HydrophobicContact CB-CG 4.21Å; V173-P180 HydrophobicContact CG1-CB 4.39Å; V173-P180 HydrophobicContact CG1-CG 3.82Å; R174-P180 HydrophobicContact CG-CG 3.82Å; A178-P180 WeakPolarHBondContact O-CD 3.3Å; P180-L182 HydrophobicContact CB-CD2 4.08Å
181	V	98.8	Very high	95.1	Very high	18 Å²	18	49.6 Å²	49.6	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	103.1	172.8	178	0	0	0	0	107.8	E158 V159 I160 I161 K179 K209	E158-V181 HydrophobicContact CB-CG2 3.8Å; E158-V181 HydrophobicContact CG-CG2 3.95Å; V159-V181 PolarHBondContact O-N 3.35Å; I160-V181 CarbonylContact C-O 3.58Å; I160-V181 VanDerWaalsContact CA-O 3.26Å; I160-V181 WeakPolarHBondContact CA-O 3.5Å; I160-V181 HydrophobicContact CG1-CB 4.28Å; I160-V181 HydrophobicContact CG1-CG1 4.39Å; I161-V181 PolarHBondContact N-O 2.87Å; K179-V181 PolarHBondContact O-N 3.14Å; V181-K209 HydrophobicContact CG1-CB 3.95Å; V181-K209 HydrophobicContact CG1-CD 3.82Å; V181-K209 HydrophobicContact CG1-CG 4.15Å
182	L	98.8	Very high	94.4	Very high	46 Å²	46	54.8 Å²	54.8	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141.3	-171.6	-51.7	-178.1	0	0	0	111.3	I161 E163 F165 V170 P180 K209	I161-L182 HydrophobicContact CB-CD2 3.89Å; I161-L182 HydrophobicContact CD1-CD2 4.36Å; I161-L182 HydrophobicContact CG2-CD2 4.38Å; E163-L182 HydrophobicContact CG-CB 4.06Å; E163-L182 WeakPolarHBondContact OE1-CD1 3.3Å; F165-L182 HydrophobicContact CD1-CD2 4.46Å; F165-L182 HydrophobicContact CE1-CD1 4.34Å; F165-L182 HydrophobicContact CE1-CD2 4.09Å; V170-L182 HydrophobicContact CG2-CD2 4Å; P180-L182 HydrophobicContact CB-CD2 4.08Å; L182-K209 VanDerWaalsContact O-CE 3.31Å; L182-K209 WeakPolarHBondContact O-CE 3.32Å; L182-K209 PolarHBondContact O-NZ 3.29Å
183	I	98.4	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	119.5	171.4	178.6	166.7	0	0	0	110.6	I160 I161 V162 E163 L201 E205 L206 K209	I160-I183 HydrophobicContact CG2-CG2 3.79Å; I161-I183 PolarHBondContact O-N 3.06Å; V162-I183 CarbonylContact C-O 3.55Å; V162-I183 WeakPolarHBondContact CA-O 3.17Å; V162-I183 HydrophobicContact CG2-CG2 4.24Å; E163-I183 PolarHBondContact N-O 2.96Å; I183-L201 HydrophobicContact CD1-CD1 3.65Å; I183-L201 HydrophobicContact CG1-CD1 3.77Å; I183-L201 HydrophobicContact CG2-CD1 4.22Å; I183-E205 HydrophobicContact CD1-CB 3.91Å; I183-L206 HydrophobicContact CD1-CB 3.73Å; I183-L206 HydrophobicContact CD1-CD1 4.03Å; I183-L206 VanDerWaalsContact CD1-N 3.31Å; I183-L206 HydrophobicContact CG2-CD1 4.41Å; I183-K209 HydrophobicContact CB-CG 4.11Å; I183-K209 HydrophobicContact CD1-CG 4.21Å
184	P	98.1	Very high	93.4	Very high	8 Å²	8	59 Å²	59	5%	0.052	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.5	-179.4	31.6	-35	0	0	0	112.6	E163 F430	E163-P184 HydrophobicContact CB-CB 4.28Å; P184-F430 HydrophobicContact CB-CE2 4.42Å
185	L	97.8	Very high	93.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-64	133.8	156.1	-68	171.2	0	0	0	108.8	V162 E163 W199 Y200 L201 I226 K228 F230 Q429	V162-L185 HydrophobicContact CG1-CD1 4.27Å; V162-L185 HydrophobicContact CG1-CD2 4.01Å; V162-L185 HydrophobicContact CG1-CG 3.75Å; E163-L185 WeakPolarHBondContact O-CB 3.42Å; E163-L185 WeakPolarHBondContact O-CG 3.27Å; E163-L185 PolarHBondContact O-N 3.16Å; L185-W199 HydrophobicContact CB-CB 4.23Å; L185-W199 HydrophobicContact CB-CE3 4.09Å; L185-W199 WeakPolarHBondContact O-CZ3 3.34Å; L185-Y200 CarbonylContact C-O 3.6Å; L185-Y200 WeakPolarHBondContact CA-O 3.44Å; L185-L201 HydrophobicContact CD2-CB 3.81Å; L185-L201 HydrophobicContact CD2-CD1 4.32Å; L185-I226 HydrophobicContact CD1-CD1 3.95Å; L185-K228 HydrophobicContact CD1-CD 3.99Å; L185-K228 HydrophobicContact CD2-CD 4.36Å; L185-F230 HydrophobicContact CD2-CZ 4.22Å; L185-Q429 PolarHBondContact O-NE2 3.22Å; L185-Q429 VanDerWaalsContact O-NE2 3.16Å
186	R	95.1	Very high	93.3	Very high	77 Å²	77	51.2 Å²	51.2	29%	0.291	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.1	179	-59.9	-63	-169.5	-170.2	-4.1	110.1	W199 Y200 E205	R186-W199 CarbonylContact O-C 3.59Å; R186-W199 WeakPolarHBondContact O-CA 3.16Å; R186-Y200 HydrophobicContact CB-CD1 4.2Å; R186-Y200 HydrophobicContact CB-CE1 3.72Å; R186-Y200 PolarHBondContact N-O 2.85Å; R186-Y200 WeakPolarHBondContact O-CD1 3.35Å; R186-Y200 PolarHBondContact O-N 3.24Å; R186-E205 IonicContact CZ-OE1 2.82Å; R186-E205 IonicContact CZ-OE2 3.14Å; R186-E205 IonicContact NE-OE1 3.86Å; R186-E205 PolarHBondContact NE-OE1 2.93Å; R186-E205 VanDerWaalsContact NE-OE1 3.14Å; R186-E205 IonicContact NE-OE2 2.71Å; R186-E205 PolarHBondContact NE-OE2 2.9Å; R186-E205 IonicContact NH2-OE1 3.04Å; R186-E205 PolarHBondContact NH2-OE1 3.47Å; R186-E205 IonicContact NH2-OE2 3.26Å; R186-E205 PolarHBondContact NH2-OE2 2.66Å
187	P	92.9	Very high	93.2	Very high	46 Å²	46	51.6 Å²	51.6	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.5	160.9	-22.9	34.7	0	0	0	110.3	D198 W199	P187-D198 CarbonylContact C-O 3.42Å; P187-W199 HydrophobicContact CG-CE3 4.29Å; P187-W199 HydrophobicContact CG-CH2 4.01Å; P187-W199 HydrophobicContact CG-CZ3 3.88Å
188	K	90.6	Very high	93.1	Very high	71 Å²	71	50.8 Å²	50.8	31%	0.309	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-61.1	129.7	173.6	-78.3	175.2	-176	163.7	0	110.2	G190 K191 A197 D198 Y200	K188-G190 PolarHBondContact O-N 3.1Å; K188-K191 PolarHBondContact O-N 3.3Å; K188-A197 WeakPolarHBondContact CE-O 3.4Å; K188-A197 PolarHBondContact NZ-O 2.96Å; K188-D198 WeakPolarHBondContact CG-O 3.47Å; K188-D198 PolarHBondContact N-O 3.17Å; K188-Y200 HydrophobicContact CB-CD1 4.37Å; K188-Y200 HydrophobicContact CG-CD1 3.56Å; K188-Y200 HydrophobicContact CG-CE1 4.23Å; K188-Y200 HydrophobicContact CG-CG 4.11Å
189	P	84.2	Confident	93	Very high	105 Å²	105	50.4 Å²	50.4	68%	0.682	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	139.7	179.9	-25.8	33.5	0	0	0	112.6	K191	P189-K191 PolarHBondContact O-N 3.29Å
190	G	79.8	Confident	92.8	Very high	92 Å²	92	47.4 Å²	47.4	95%	0.948	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	8.4	174	0	0	0	0	0	115.6	K188	K188-G190 PolarHBondContact O-N 3.1Å
191	K	77.1	Confident	92.7	Very high	134 Å²	134	46.5 Å²	46.5	58%	0.583	26%	0.262	S	S	*	.	S	Bend	trans	-118.2	139.8	174.9	-64.1	-168.6	178.4	-171.8	0	110.8	K188 P189 T193	K188-K191 PolarHBondContact O-N 3.3Å; P189-K191 PolarHBondContact O-N 3.29Å; K191-T193 PolarHBondContact O-N 3.03Å
192	K	83.1	Confident	92.6	Very high	148 Å²	148	47 Å²	47	64%	0.643	27%	0.265	S	S	*	.			trans	-69.7	126.4	164.5	-172.7	178.4	180	-178.2	0	107.5	V194	K192-V194 HydrophobicContact CB-CG1 4.35Å; K192-V194 HydrophobicContact CD-CG1 4.18Å; K192-V194 HydrophobicContact CG-CG1 4.04Å; K192-V194 PolarHBondContact O-N 3.28Å
193	T	85.6	Confident	92.6	Very high	21 Å²	21	47.9 Å²	47.9	13%	0.129	27%	0.273	C	S	.	.			trans	-68.4	100.4	175.7	-53.4	0	0	0	0	109.7	K191 D198 W199 V371	K191-T193 PolarHBondContact O-N 3.03Å; T193-D198 HydrophobicContact CG2-CB 4.19Å; T193-W199 HydrophobicContact CG2-CZ2 4.06Å; T193-V371 HydrophobicContact CG2-CG1 4.3Å; T193-V371 HydrophobicContact CG2-CG2 4Å
194	V	91.9	Very high	92.5	Very high	78 Å²	78	54.2 Å²	54.2	47%	0.473	31%	0.307	S	S	.	.			trans	-116.6	-18.9	179.3	-64.6	0	0	0	0	111.9	K192 D198 V372	K192-V194 HydrophobicContact CB-CG1 4.35Å; K192-V194 HydrophobicContact CD-CG1 4.18Å; K192-V194 HydrophobicContact CG-CG1 4.04Å; K192-V194 PolarHBondContact O-N 3.28Å; V194-D198 PolarHBondContact N-OD2 2.78Å; V194-V372 PolarHBondContact O-N 3.38Å
195	S	96.4	Very high	92.5	Very high	28 Å²	28	56.8 Å²	56.8	20%	0.196	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-126.3	153.3	174.7	177	0	0	0	0	110.8	A197 D198 V371 V372	S195-A197 PolarHBondContact O-N 3.47Å; S195-A197 PolarHBondContact OG-N 3.35Å; S195-D198 PolarHBondContact N-OD2 3.37Å; S195-D198 WeakPolarHBondContact O-CB 3.34Å; S195-D198 PolarHBondContact O-N 2.9Å; S195-V371 VanDerWaalsContact C-CG1 3.47Å; S195-V372 CarbonylContact C-O 3.59Å; S195-V372 WeakPolarHBondContact CA-O 3.25Å; S195-V372 PolarHBondContact OG-O 2.82Å
196	S	97.5	Very high	92.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58.7	-22.6	169.3	59.7	0	0	0	0	113.2	D198 W199 I226 G227 V372 P373 E374	S196-D198 PolarHBondContact O-N 2.82Å; S196-W199 WeakPolarHBondContact O-CB 3Å; S196-W199 PolarHBondContact O-N 2.86Å; S196-I226 WeakPolarHBondContact CB-O 3.42Å; S196-G227 PolarHBondContact OG-O 3Å; S196-V372 PolarHBondContact N-O 3.3Å; S196-V372 PolarHBondContact OG-O 2.79Å; S196-P373 WeakPolarHBondContact OG-CA 3.43Å; S196-E374 VanDerWaalsContact OG-CG 3.25Å; S196-E374 WeakPolarHBondContact OG-CG 3.23Å; S196-E374 PolarHBondContact OG-N 2.96Å; S196-E374 PolarHBondContact OG-OE2 2.9Å
197	A	96.5	Very high	92.7	Very high	25 Å²	25	55.1 Å²	55.1	21%	0.207	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-66	-19.9	172	0	0	0	0	0	113.6	K188 S195 W199 E374	K188-A197 WeakPolarHBondContact CE-O 3.4Å; K188-A197 PolarHBondContact NZ-O 2.96Å; S195-A197 PolarHBondContact O-N 3.47Å; S195-A197 PolarHBondContact OG-N 3.35Å; A197-W199 PolarHBondContact O-N 3.27Å; A197-E374 HydrophobicContact CB-CG 4.34Å; A197-E374 WeakPolarHBondContact CB-OE1 3.44Å; A197-E374 PolarHBondContact N-OE2 3.19Å
198	D	96.4	Very high	93	Very high	20 Å²	20	56.9 Å²	56.9	11%	0.107	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-79.1	-7.9	177.3	-61.8	-45.5	0	0	0	112.5	P187 K188 T193 V194 S195 S196	P187-D198 CarbonylContact C-O 3.42Å; K188-D198 WeakPolarHBondContact CG-O 3.47Å; K188-D198 PolarHBondContact N-O 3.17Å; T193-D198 HydrophobicContact CG2-CB 4.19Å; V194-D198 PolarHBondContact N-OD2 2.78Å; S195-D198 PolarHBondContact N-OD2 3.37Å; S195-D198 WeakPolarHBondContact O-CB 3.34Å; S195-D198 PolarHBondContact O-N 2.9Å; S196-D198 PolarHBondContact O-N 2.82Å
199	W	96.7	Very high	93.4	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.8	167.6	-63.6	84.4	0	0	0	109.3	L185 R186 P187 T193 S196 A197 I226 K228 F430 Y433	L185-W199 HydrophobicContact CB-CB 4.23Å; L185-W199 HydrophobicContact CB-CE3 4.09Å; L185-W199 WeakPolarHBondContact O-CZ3 3.34Å; R186-W199 CarbonylContact O-C 3.59Å; R186-W199 WeakPolarHBondContact O-CA 3.16Å; P187-W199 HydrophobicContact CG-CE3 4.29Å; P187-W199 HydrophobicContact CG-CH2 4.01Å; P187-W199 HydrophobicContact CG-CZ3 3.88Å; T193-W199 HydrophobicContact CG2-CZ2 4.06Å; S196-W199 WeakPolarHBondContact O-CB 3Å; S196-W199 PolarHBondContact O-N 2.86Å; A197-W199 PolarHBondContact O-N 3.27Å; W199-I226 HydrophobicContact CB-CD1 4.38Å; W199-I226 HydrophobicContact CD2-CD1 3.82Å; W199-I226 HydrophobicContact CE3-CD1 4.1Å; W199-I226 HydrophobicContact CG-CD1 3.94Å; W199-I226 HydrophobicContact CG-CG2 4.1Å; W199-K228 HydrophobicContact CB-CD 4.46Å; W199-K228 WeakPolarHBondContact O-CD 3.46Å; W199-K228 VanDerWaalsContact O-CE 3.25Å; W199-K228 WeakPolarHBondContact O-CE 3.33Å; W199-K228 PolarHBondContact O-NZ 3.35Å; W199-F430 HydrophobicContact CE3-CE1 4.28Å; W199-F430 HydrophobicContact CE3-CZ 4.26Å; W199-F430 HydrophobicContact CH2-CD1 4.11Å; W199-F430 AromaticContact CH2-CE1 3.36Å; W199-F430 HydrophobicContact CH2-CE1 3.36Å; W199-F430 AromaticContact CH2-CZ 3.9Å; W199-F430 HydrophobicContact CH2-CZ 3.9Å; W199-F430 HydrophobicContact CZ2-CE1 4.26Å; W199-F430 HydrophobicContact CZ3-CD1 4.46Å; W199-F430 AromaticContact CZ3-CE1 3.36Å; W199-F430 HydrophobicContact CZ3-CE1 3.36Å; W199-F430 AromaticContact CZ3-CZ 3.42Å; W199-F430 HydrophobicContact CZ3-CZ 3.42Å; W199-F430 VanDerWaalsContact CZ3-CZ 3.42Å; W199-Y433 HydrophobicContact CH2-CE2 4.39Å; W199-Y433 HydrophobicContact CZ2-CE1 4.24Å; W199-Y433 HydrophobicContact CZ2-CE2 4.44Å; W199-Y433 AromaticContact CZ2-CZ 3.96Å
200	Y	95.1	Very high	94.1	Very high	54 Å²	54	52.3 Å²	52.3	21%	0.212	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.7	178.2	80.9	-69.7	0	0	0	111.2	L185 R186 K188 D202	L185-Y200 CarbonylContact C-O 3.6Å; L185-Y200 WeakPolarHBondContact CA-O 3.44Å; R186-Y200 HydrophobicContact CB-CD1 4.2Å; R186-Y200 HydrophobicContact CB-CE1 3.72Å; R186-Y200 PolarHBondContact N-O 2.85Å; R186-Y200 WeakPolarHBondContact O-CD1 3.35Å; R186-Y200 PolarHBondContact O-N 3.24Å; K188-Y200 HydrophobicContact CB-CD1 4.37Å; K188-Y200 HydrophobicContact CG-CD1 3.56Å; K188-Y200 HydrophobicContact CG-CE1 4.23Å; K188-Y200 HydrophobicContact CG-CG 4.11Å; Y200-D202 HydrophobicContact CE2-CB 3.96Å; Y200-D202 PolarHBondContact OH-OD2 3.1Å
201	L	96.3	Very high	94.9	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	27%	0.274	C	S	.	.			trans	-92.9	115.6	172.3	-171.5	58.7	0	0	0	107.5	V162 I183 L185 P203 L206 F230 M237 I238	V162-L201 HydrophobicContact CG1-CD1 4.19Å; V162-L201 HydrophobicContact CG2-CD1 4.46Å; V162-L201 HydrophobicContact CG2-CD2 4.18Å; I183-L201 HydrophobicContact CD1-CD1 3.65Å; I183-L201 HydrophobicContact CG1-CD1 3.77Å; I183-L201 HydrophobicContact CG2-CD1 4.22Å; L185-L201 HydrophobicContact CD2-CB 3.81Å; L185-L201 HydrophobicContact CD2-CD1 4.32Å; L201-P203 WeakPolarHBondContact O-CD 3.22Å; L201-L206 HydrophobicContact CD2-CD1 4.11Å; L201-L206 HydrophobicContact CD2-CD2 3.71Å; L201-L206 HydrophobicContact CD2-CG 4.37Å; L201-L206 HydrophobicContact CG-CB 4.37Å; L201-L206 HydrophobicContact CG-CD2 4.17Å; L201-F230 HydrophobicContact CD2-CE1 4.29Å; L201-M237 HydrophobicContact CB-CE 4.21Å; L201-M237 HydrophobicContact CD2-CE 4.11Å; L201-M237 HydrophobicContact CG-CE 4.25Å; L201-I238 HydrophobicContact CD2-CD1 4.17Å; L201-I238 HydrophobicContact CD2-CG1 4.27Å
202	D	97.3	Very high	95.9	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.16	29%	0.29	C	S	.	.			trans	-66.5	124.2	-178.3	-177.2	-78.9	0	0	0	110.5	Y200 D204 E205 L206	Y200-D202 HydrophobicContact CE2-CB 3.96Å; Y200-D202 PolarHBondContact OH-OD2 3.1Å; D202-D204 VanDerWaalsContact C-N 3.35Å; D202-D204 PolarHBondContact O-N 3.11Å; D202-D204 WeakPolarHBondContact OD1-CA 3.37Å; D202-D204 PolarHBondContact OD1-N 3.21Å; D202-E205 HydrophobicContact CB-CB 3.99Å; D202-E205 HydrophobicContact CB-CG 3.99Å; D202-E205 PolarHBondContact OD1-N 3.08Å; D202-L206 VanDerWaalsContact O-CB 3.23Å; D202-L206 WeakPolarHBondContact O-CB 3.49Å; D202-L206 PolarHBondContact O-N 3.04Å
203	P	97.3	Very high	96.7	Very high	64 Å²	64	48.6 Å²	48.6	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-36.6	-176	-23.1	33	0	0	0	114.3	L201 S207 M237	L201-P203 WeakPolarHBondContact O-CD 3.22Å; P203-S207 WeakPolarHBondContact O-CB 3.45Å; P203-S207 PolarHBondContact O-N 2.93Å; P203-M237 HydrophobicContact CB-SD 3.59Å; P203-M237 VanDerWaalsContact CB-SD 3.59Å; P203-M237 HydrophobicContact CG-SD 3.67Å
204	D	97.9	Very high	97.3	Very high	133 Å²	133	48.1 Å²	48.1	71%	0.711	28%	0.282	S	S	*	.	H	α-helix	trans	-76.9	-43.9	-176.8	-68.7	-27	0	0	0	110	D202 L206 S207 A208	D202-D204 VanDerWaalsContact C-N 3.35Å; D202-D204 PolarHBondContact O-N 3.11Å; D202-D204 WeakPolarHBondContact OD1-CA 3.37Å; D202-D204 PolarHBondContact OD1-N 3.21Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.12Å; D204-S207 PolarHBondContact O-N 2.76Å; D204-A208 WeakPolarHBondContact O-CB 3.44Å; D204-A208 PolarHBondContact O-N 3.39Å
205	E	97.9	Very high	97.7	Very high	61 Å²	61	47.7 Å²	47.7	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-58.2	-43.8	171.4	-68.1	-168.7	-149.8	0	0	110.5	I183 R186 D202 A208 K209	I183-E205 HydrophobicContact CD1-CB 3.91Å; R186-E205 IonicContact CZ-OE1 2.82Å; R186-E205 IonicContact CZ-OE2 3.14Å; R186-E205 IonicContact NE-OE1 3.86Å; R186-E205 PolarHBondContact NE-OE1 2.93Å; R186-E205 VanDerWaalsContact NE-OE1 3.14Å; R186-E205 IonicContact NE-OE2 2.71Å; R186-E205 PolarHBondContact NE-OE2 2.9Å; R186-E205 IonicContact NH2-OE1 3.04Å; R186-E205 PolarHBondContact NH2-OE1 3.47Å; R186-E205 IonicContact NH2-OE2 3.26Å; R186-E205 PolarHBondContact NH2-OE2 2.66Å; D202-E205 HydrophobicContact CB-CB 3.99Å; D202-E205 HydrophobicContact CB-CG 3.99Å; D202-E205 PolarHBondContact OD1-N 3.08Å; E205-A208 PolarHBondContact O-N 3.18Å; E205-K209 WeakPolarHBondContact O-CG 3.28Å; E205-K209 PolarHBondContact O-N 3.28Å
206	L	98.6	Very high	97.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-50.6	179.3	-179.4	64.6	0	0	0	111.5	I160 I183 L201 D202 D204 A208 K209 F210 I217 M237 I238 L241	I160-L206 HydrophobicContact CG2-CD1 4.47Å; I183-L206 HydrophobicContact CD1-CB 3.73Å; I183-L206 HydrophobicContact CD1-CD1 4.03Å; I183-L206 VanDerWaalsContact CD1-N 3.31Å; I183-L206 HydrophobicContact CG2-CD1 4.41Å; L201-L206 HydrophobicContact CD2-CD1 4.11Å; L201-L206 HydrophobicContact CD2-CD2 3.71Å; L201-L206 HydrophobicContact CD2-CG 4.37Å; L201-L206 HydrophobicContact CG-CB 4.37Å; L201-L206 HydrophobicContact CG-CD2 4.17Å; D202-L206 VanDerWaalsContact O-CB 3.23Å; D202-L206 WeakPolarHBondContact O-CB 3.49Å; D202-L206 PolarHBondContact O-N 3.04Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.12Å; L206-A208 PolarHBondContact O-N 2.94Å; L206-K209 WeakPolarHBondContact O-CB 3.44Å; L206-K209 PolarHBondContact O-N 3.18Å; L206-F210 HydrophobicContact CD1-CE2 3.95Å; L206-F210 HydrophobicContact CG-CE2 4.08Å; L206-F210 WeakPolarHBondContact O-CD2 3.19Å; L206-I217 HydrophobicContact CD1-CD1 4.03Å; L206-M237 HydrophobicContact CD2-CE 3.62Å; L206-M237 HydrophobicContact CD2-CG 4.33Å; L206-M237 HydrophobicContact CD2-SD 4.16Å; L206-I238 HydrophobicContact CD2-CG1 4.01Å; L206-L241 HydrophobicContact CB-CD1 4.4Å; L206-L241 HydrophobicContact CD2-CD1 3.6Å; L206-L241 HydrophobicContact CG-CD1 3.61Å
207	S	98.4	Very high	97.8	Very high	43 Å²	43	46.3 Å²	46.3	30%	0.301	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-33.3	178.8	-174.7	0	0	0	0	111.8	P203 D204 K209 F210	P203-S207 WeakPolarHBondContact O-CB 3.45Å; P203-S207 PolarHBondContact O-N 2.93Å; D204-S207 PolarHBondContact O-N 2.76Å; S207-K209 VanDerWaalsContact C-N 3.28Å; S207-K209 PolarHBondContact O-N 3.02Å; S207-F210 PolarHBondContact O-N 2.94Å
208	A	98.5	Very high	98	Very high	83 Å²	83	45.2 Å²	45.2	69%	0.686	26%	0.255	S	S	*	.	H	α-helix	trans	-71.8	-17.3	177.9	0	0	0	0	0	114	D204 E205 L206	D204-A208 WeakPolarHBondContact O-CB 3.44Å; D204-A208 PolarHBondContact O-N 3.39Å; E205-A208 PolarHBondContact O-N 3.18Å; L206-A208 PolarHBondContact O-N 2.94Å
209	K	98.6	Very high	98.1	Very high	63 Å²	63	44.3 Å²	44.3	27%	0.274	25%	0.25	S	S	.	.	H	α-helix	trans	-80.6	-18.6	175	-60.6	-48	-177.7	166.9	0	113.6	I160 V181 L182 I183 E205 L206 S207	I160-K209 HydrophobicContact CD1-CB 3.86Å; I160-K209 HydrophobicContact CG1-CB 4.14Å; I160-K209 HydrophobicContact CG2-CB 4.48Å; V181-K209 HydrophobicContact CG1-CB 3.95Å; V181-K209 HydrophobicContact CG1-CD 3.82Å; V181-K209 HydrophobicContact CG1-CG 4.15Å; L182-K209 VanDerWaalsContact O-CE 3.31Å; L182-K209 WeakPolarHBondContact O-CE 3.32Å; L182-K209 PolarHBondContact O-NZ 3.29Å; I183-K209 HydrophobicContact CB-CG 4.11Å; I183-K209 HydrophobicContact CD1-CG 4.21Å; E205-K209 WeakPolarHBondContact O-CG 3.28Å; E205-K209 PolarHBondContact O-N 3.28Å; L206-K209 WeakPolarHBondContact O-CB 3.44Å; L206-K209 PolarHBondContact O-N 3.18Å; S207-K209 VanDerWaalsContact C-N 3.28Å; S207-K209 PolarHBondContact O-N 3.02Å
210	F	98.8	Very high	98.2	Very high	16 Å²	16	44.6 Å²	44.6	7%	0.07	25%	0.252	C	S	.	.			trans	-78.9	131.6	177.7	-76.6	-100.5	0	0	0	111.1	I160 L206 S207 T214 I217 L241 H245 T247	I160-F210 HydrophobicContact CD1-CD1 4.06Å; I160-F210 HydrophobicContact CD1-CD2 3.59Å; I160-F210 HydrophobicContact CD1-CE1 4.08Å; I160-F210 HydrophobicContact CD1-CE2 3.57Å; I160-F210 HydrophobicContact CD1-CG 3.83Å; I160-F210 HydrophobicContact CD1-CZ 3.83Å; L206-F210 HydrophobicContact CD1-CE2 3.95Å; L206-F210 HydrophobicContact CG-CE2 4.08Å; L206-F210 WeakPolarHBondContact O-CD2 3.19Å; S207-F210 PolarHBondContact O-N 2.94Å; F210-T214 HydrophobicContact CD1-CG2 4.03Å; F210-T214 HydrophobicContact CE1-CG2 4.31Å; F210-I217 HydrophobicContact CZ-CD1 4.47Å; F210-L241 HydrophobicContact CD1-CB 4.46Å; F210-L241 HydrophobicContact CD2-CB 4.11Å; F210-L241 HydrophobicContact CD2-CD1 4.02Å; F210-L241 HydrophobicContact CD2-CG 4.46Å; F210-L241 HydrophobicContact CE1-CB 4.04Å; F210-L241 HydrophobicContact CE2-CB 3.68Å; F210-L241 HydrophobicContact CE2-CD1 3.7Å; F210-L241 HydrophobicContact CE2-CG 4.25Å; F210-L241 HydrophobicContact CG-CB 4.49Å; F210-L241 HydrophobicContact CZ-CB 3.64Å; F210-L241 HydrophobicContact CZ-CD1 4.44Å; F210-H245 HydrophobicContact CD1-CB 3.79Å; F210-H245 AromaticContact CD1-CD2 3.92Å; F210-H245 AromaticContact CD1-CG 3.84Å; F210-H245 AromaticContact CG-CD2 3.99Å; F210-T247 HydrophobicContact CD1-CG2 4.11Å; F210-T247 HydrophobicContact CE1-CG2 4.14Å
211	S	98.1	Very high	98.4	Very high	39 Å²	39	42 Å²	42	27%	0.273	24%	0.242	S	C	.	.			trans	-138.5	175.3	-179.5	86.7	0	0	0	0	110.2	E158 K213 T214	E158-S211 PolarHBondContact OE2-OG 3.46Å; S211-K213 PolarHBondContact O-N 3.49Å; S211-K213 PolarHBondContact OG-N 2.91Å; S211-T214 PolarHBondContact N-OG1 2.67Å; S211-T214 PolarHBondContact O-N 3Å; S211-T214 PolarHBondContact O-OG1 3.11Å; S211-T214 PolarHBondContact OG-N 2.87Å
212	S	98.1	Very high	98.5	Very high	131 Å²	131	41.9 Å²	41.9	92%	0.916	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-9	171.3	54.6	0	0	0	0	113.9
213	K	98.7	Very high	98.5	Very high	126 Å²	126	40.7 Å²	40.7	55%	0.548	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.2	174.8	-62.2	-174.1	176.5	-174	0	112.9	E158 S211 K215	E158-K213 HydrophobicContact CB-CB 4.29Å; E158-K213 HydrophobicContact CG-CB 3.87Å; E158-K213 PolarHBondContact N-O 3.04Å; S211-K213 PolarHBondContact O-N 3.49Å; S211-K213 PolarHBondContact OG-N 2.91Å; K213-K215 PolarHBondContact O-N 3.06Å; K213-K215 VanDerWaalsContact O-N 3.08Å
214	T	98.9	Very high	98.6	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	112.2	-179.2	-54.3	0	0	0	0	109.7	E158 I160 F210 S211 T247	E158-T214 CarbonylContact O-C 3.52Å; E158-T214 WeakPolarHBondContact O-CA 3.41Å; I160-T214 HydrophobicContact CD1-CG2 3.67Å; I160-T214 HydrophobicContact CG1-CG2 3.96Å; F210-T214 HydrophobicContact CD1-CG2 4.03Å; F210-T214 HydrophobicContact CE1-CG2 4.31Å; S211-T214 PolarHBondContact N-OG1 2.67Å; S211-T214 PolarHBondContact O-N 3Å; S211-T214 PolarHBondContact O-OG1 3.11Å; S211-T214 PolarHBondContact OG-N 2.87Å; T214-T247 HydrophobicContact CG2-CG2 3.86Å; T214-T247 VanDerWaalsContact O-CG2 3.24Å; T214-T247 WeakPolarHBondContact O-CG2 3.37Å
215	K	98.9	Very high	98.6	Very high	69 Å²	69	31.5 Å²	31.5	30%	0.3	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-45	174.3	175.9	62	67.8	175.4	0	111.5	L152 V153 D157 E158 K213 L248	L152-K215 WeakPolarHBondContact O-CD 3.33Å; L152-K215 WeakPolarHBondContact O-CG 3.34Å; V153-K215 HydrophobicContact CG2-CG 4.33Å; D157-K215 HydrophobicContact CB-CB 3.77Å; D157-K215 VanDerWaalsContact CG-CE 3.46Å; D157-K215 WeakPolarHBondContact OD1-CE 3.27Å; D157-K215 WeakPolarHBondContact OD2-CE 3.49Å; D157-K215 IonicContact OD2-NZ 2.84Å; E158-K215 PolarHBondContact O-N 3.38Å; K213-K215 PolarHBondContact O-N 3.06Å; K213-K215 VanDerWaalsContact O-N 3.08Å; K215-L248 HydrophobicContact CD-CD1 4.29Å; K215-L248 PolarHBondContact O-N 3.43Å
216	A	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.6	-172.3	0	0	0	0	0	112.6	V159 I160 L248 F250	V159-A216 CarbonylContact C-O 3.53Å; V159-A216 WeakPolarHBondContact CA-O 3.42Å; V159-A216 HydrophobicContact CG1-CB 4.42Å; I160-A216 PolarHBondContact N-O 3.41Å; A216-L248 CarbonylContact C-O 3.37Å; A216-L248 WeakPolarHBondContact CA-O 3.38Å; A216-L248 HydrophobicContact CB-CB 4Å; A216-F250 HydrophobicContact CB-CD2 3.99Å; A216-F250 HydrophobicContact CB-CE1 4.15Å; A216-F250 HydrophobicContact CB-CE2 3.51Å; A216-F250 HydrophobicContact CB-CG 4.49Å; A216-F250 HydrophobicContact CB-CZ 3.59Å
217	I	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.8	160.9	-176.3	170.5	0	0	0	109.7	I160 L206 F210 I219 I238 C242 L248 C249 F250	I160-I217 HydrophobicContact CB-CB 4.09Å; I160-I217 HydrophobicContact CB-CD1 4.4Å; I160-I217 HydrophobicContact CB-CG1 3.93Å; I160-I217 HydrophobicContact CG2-CD1 3.95Å; I160-I217 HydrophobicContact CG2-CG1 3.91Å; I160-I217 CarbonylContact O-C 3.56Å; I160-I217 WeakPolarHBondContact O-CA 3.4Å; L206-I217 HydrophobicContact CD1-CD1 4.03Å; F210-I217 HydrophobicContact CZ-CD1 4.47Å; I217-I219 HydrophobicContact CD1-CG2 4.07Å; I217-I219 HydrophobicContact CG1-CG2 3.98Å; I217-I238 HydrophobicContact CD1-CG2 4.19Å; I217-I238 HydrophobicContact CG2-CG2 4.16Å; I217-C242 VanDerWaalsContact CG2-SG 3.51Å; I217-L248 PolarHBondContact N-O 3.49Å; I217-C249 HydrophobicContact CG2-CB 4.36Å; I217-F250 PolarHBondContact O-N 3.18Å
218	I	98.9	Very high	98.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.7	169.9	-56.7	175.8	0	0	0	108.3	I149 V159 I160 I161 Y169 V173 F250	I149-I218 HydrophobicContact CD1-CD1 4.18Å; V159-I218 HydrophobicContact CG1-CD1 3.84Å; V159-I218 HydrophobicContact CG1-CG1 3.82Å; I160-I218 PolarHBondContact O-N 3.41Å; I161-I218 HydrophobicContact CD1-CD1 4.47Å; I161-I218 HydrophobicContact CG1-CD1 4.24Å; Y169-I218 HydrophobicContact CD1-CG2 4.33Å; Y169-I218 HydrophobicContact CD2-CG2 3.69Å; Y169-I218 HydrophobicContact CE1-CG2 4.34Å; Y169-I218 HydrophobicContact CE2-CG2 3.73Å; Y169-I218 HydrophobicContact CG-CD1 4.28Å; Y169-I218 HydrophobicContact CG-CG2 4.04Å; V173-I218 HydrophobicContact CG2-CD1 4.23Å; I218-F250 WeakPolarHBondContact CA-O 3.36Å; I218-F250 HydrophobicContact CD1-CD2 4.5Å; I218-F250 HydrophobicContact CG1-CB 4.15Å; I218-F250 HydrophobicContact CG1-CD2 3.94Å
219	I	98.9	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.1	172.2	69	173.7	0	0	0	109.6	I217 L235 I238 F250 D252 I268	I217-I219 HydrophobicContact CD1-CG2 4.07Å; I217-I219 HydrophobicContact CG1-CG2 3.98Å; I219-L235 HydrophobicContact CD1-CD2 3.88Å; I219-I238 HydrophobicContact CG2-CD1 4.13Å; I219-I238 HydrophobicContact CG2-CG2 4.31Å; I219-F250 PolarHBondContact N-O 3.44Å; I219-D252 PolarHBondContact O-N 3.1Å; I219-I268 HydrophobicContact CD1-CB 4.18Å; I219-I268 HydrophobicContact CD1-CD1 3.87Å; I219-I268 HydrophobicContact CD1-CG2 3.94Å
220	N	98.9	Very high	98.6	Very high	7 Å²	7	20 Å²	20	4%	0.037	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	112.5	176.8	175.2	-137	0	0	0	109.9	Y169 P222 N223 N224 D252	Y169-N220 HydrophobicContact CE2-CB 4.32Å; Y169-N220 WeakPolarHBondContact OH-CB 3.35Å; N220-P222 PolarHBondContact ND2-O 3.1Å; N220-N223 VanDerWaalsContact O-CA 3.29Å; N220-N223 WeakPolarHBondContact O-CA 3.48Å; N220-N223 WeakPolarHBondContact O-CB 3.43Å; N220-N223 PolarHBondContact O-N 3.31Å; N220-N223 WeakPolarHBondContact OD1-CA 3.36Å; N220-N224 PolarHBondContact OD1-N 2.87Å; N220-D252 WeakPolarHBondContact CA-O 3.42Å; N220-D252 HydrophobicContact CB-CB 4.22Å; N220-D252 PolarHBondContact ND2-O 3.33Å
221	T	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-144.1	126.1	-178.6	180	0	0	0	0	109.9	F230 D252 H265	T221-F230 HydrophobicContact CG2-CB 4.27Å; T221-F230 PolarHBondContact OG1-N 2.97Å; T221-D252 PolarHBondContact N-O 3.09Å; T221-D252 VanDerWaalsContact N-O 3.17Å; T221-H265 PolarHBondContact O-CE1 3.5Å
222	P	98.8	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	S	Bend	cis	-56.8	138.7	-10.5	-22.4	33.1	0	0	0	112.8	N220 K228 V229 Y255 V259	N220-P222 PolarHBondContact ND2-O 3.1Å; P222-K228 CarbonylContact C-O 3.54Å; P222-K228 WeakPolarHBondContact CA-O 3.48Å; P222-V229 HydrophobicContact CB-CG2 4.04Å; P222-V229 HydrophobicContact CG-CG2 4.05Å; P222-Y255 WeakPolarHBondContact CG-O 3.46Å; P222-Y255 WeakPolarHBondContact O-CD2 3.48Å; P222-V259 HydrophobicContact CG-CG2 3.77Å
223	N	98.8	Very high	98.6	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.027	12%	0.121	C	C	.	.			trans	-75.1	137.8	-171.6	174.2	-90.6	0	0	0	112.3	P164 N220 I226 G227 K228	P164-N223 PolarHBondContact O-ND2 2.92Å; N220-N223 VanDerWaalsContact O-CA 3.29Å; N220-N223 WeakPolarHBondContact O-CA 3.48Å; N220-N223 WeakPolarHBondContact O-CB 3.43Å; N220-N223 PolarHBondContact O-N 3.31Å; N220-N223 WeakPolarHBondContact OD1-CA 3.36Å; N223-I226 VanDerWaalsContact OD1-CB 3.29Å; N223-I226 WeakPolarHBondContact OD1-CB 3.48Å; N223-I226 WeakPolarHBondContact OD1-CG1 3.17Å; N223-I226 PolarHBondContact OD1-N 3.08Å; N223-G227 WeakPolarHBondContact O-CA 3.23Å; N223-G227 PolarHBondContact O-N 2.89Å; N223-K228 HydrophobicContact CB-CB 4.14Å; N223-K228 PolarHBondContact N-O 2.86Å
224	N	98.1	Very high	98.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	121.8	158.8	165.5	32.6	0	0	0	108	F166 N220 Y255 F378 R435	F166-N224 VanDerWaalsContact CD2-ND2 3.34Å; F166-N224 WeakPolarHBondContact CD2-ND2 3.4Å; N220-N224 PolarHBondContact OD1-N 2.87Å; N224-Y255 HydrophobicContact CB-CE2 3.8Å; N224-F378 HydrophobicContact CB-CD2 3.99Å; N224-F378 HydrophobicContact CB-CE2 4.03Å; N224-F378 VanDerWaalsContact CG-CE2 3.43Å; N224-F378 VanDerWaalsContact OD1-CD2 3.3Å; N224-F378 WeakPolarHBondContact OD1-CD2 3.21Å; N224-F378 VanDerWaalsContact OD1-CE2 3.24Å; N224-F378 WeakPolarHBondContact OD1-CE2 3.49Å; N224-R435 PolarHBondContact OD1-NH1 3.08Å
225	P	97.4	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101.2	-10.9	20.2	37.5	-35	0	0	0	116.9	P164 G227 L380 V418 F421 R435	P164-P225 HydrophobicContact CB-CG 3.84Å; P164-P225 HydrophobicContact CG-CG 4.3Å; P225-G227 PolarHBondContact O-N 2.93Å; P225-L380 VanDerWaalsContact C-CD1 3.41Å; P225-L380 HydrophobicContact CB-CD1 3.69Å; P225-L380 HydrophobicContact CG-CD1 3.92Å; P225-L380 WeakPolarHBondContact O-CD1 3.34Å; P225-V418 HydrophobicContact CG-CG1 4.29Å; P225-F421 HydrophobicContact CB-CD2 4.21Å; P225-F421 HydrophobicContact CB-CE2 4.34Å; P225-F421 HydrophobicContact CG-CB 4.34Å; P225-F421 HydrophobicContact CG-CD2 3.88Å; P225-F421 HydrophobicContact CG-CG 4.21Å; P225-R435 HydrophobicContact CB-CB 4.31Å; P225-R435 HydrophobicContact CB-CG 3.8Å
226	I	97.3	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-32.4	-167.3	-54.8	-163.1	0	0	0	113.1	P164 L185 S196 W199 N223 K228 L380	P164-I226 VanDerWaalsContact CD-CD1 3.43Å; P164-I226 HydrophobicContact CG-CD1 4.02Å; P164-I226 HydrophobicContact CG-CG1 4.15Å; L185-I226 HydrophobicContact CD1-CD1 3.95Å; S196-I226 WeakPolarHBondContact CB-O 3.42Å; W199-I226 HydrophobicContact CB-CD1 4.38Å; W199-I226 HydrophobicContact CD2-CD1 3.82Å; W199-I226 HydrophobicContact CE3-CD1 4.1Å; W199-I226 HydrophobicContact CG-CD1 3.94Å; W199-I226 HydrophobicContact CG-CG2 4.1Å; N223-I226 VanDerWaalsContact OD1-CB 3.29Å; N223-I226 WeakPolarHBondContact OD1-CB 3.48Å; N223-I226 WeakPolarHBondContact OD1-CG1 3.17Å; N223-I226 PolarHBondContact OD1-N 3.08Å; I226-K228 VanDerWaalsContact C-N 3.32Å; I226-K228 HydrophobicContact CB-CB 4.48Å; I226-K228 HydrophobicContact CG2-CB 4.21Å; I226-L380 HydrophobicContact CB-CD2 4.42Å; I226-L380 HydrophobicContact CD1-CD2 4.31Å; I226-L380 HydrophobicContact CG1-CD1 4.45Å; I226-L380 HydrophobicContact CG1-CD2 3.79Å
227	G	98.4	Very high	98.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	11%	0.105	C	C	.	.			trans	79.5	13.8	-170.2	0	0	0	0	0	113.9	S196 N223 P225 E374 G375	S196-G227 PolarHBondContact OG-O 3Å; N223-G227 WeakPolarHBondContact O-CA 3.23Å; N223-G227 PolarHBondContact O-N 2.89Å; P225-G227 PolarHBondContact O-N 2.93Å; G227-E374 PolarHBondContact O-N 3.39Å; G227-G375 WeakPolarHBondContact CA-O 3.45Å; G227-G375 PolarHBondContact O-N 3.14Å
228	K	98.8	Very high	98.6	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.013	11%	0.105	C	C	.	.			trans	-64.6	135.1	176.3	177.9	178	173.6	65.3	0	110.8	L185 W199 P222 N223 I226 F230 E234	L185-K228 HydrophobicContact CD1-CD 3.99Å; L185-K228 HydrophobicContact CD2-CD 4.36Å; W199-K228 HydrophobicContact CB-CD 4.46Å; W199-K228 WeakPolarHBondContact O-CD 3.46Å; W199-K228 VanDerWaalsContact O-CE 3.25Å; W199-K228 WeakPolarHBondContact O-CE 3.33Å; W199-K228 PolarHBondContact O-NZ 3.35Å; P222-K228 CarbonylContact C-O 3.54Å; P222-K228 WeakPolarHBondContact CA-O 3.48Å; N223-K228 HydrophobicContact CB-CB 4.14Å; N223-K228 PolarHBondContact N-O 2.86Å; I226-K228 VanDerWaalsContact C-N 3.32Å; I226-K228 HydrophobicContact CB-CB 4.48Å; I226-K228 HydrophobicContact CG2-CB 4.21Å; K228-F230 HydrophobicContact CD-CD2 4.32Å; K228-F230 HydrophobicContact CD-CE2 4.05Å; K228-F230 HydrophobicContact CG-CD2 4.33Å; K228-F230 HydrophobicContact CG-CE2 4.43Å; K228-E234 WeakPolarHBondContact CE-OE1 3.37Å; K228-E234 IonicContact NZ-OE1 3.12Å; K228-E234 PolarHBondContact NZ-OE1 2.96Å; K228-E234 IonicContact NZ-OE2 3.81Å; K228-E234 PolarHBondContact NZ-OE2 3.49Å
229	V	98.8	Very high	98.6	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.024	11%	0.105	C	C	.	.			trans	-105.1	116	169.7	-179.8	0	0	0	0	107.8	P222 T231 V259 Q264 E374	P222-V229 HydrophobicContact CB-CG2 4.04Å; P222-V229 HydrophobicContact CG-CG2 4.05Å; V229-T231 PolarHBondContact O-N 3.02Å; V229-V259 HydrophobicContact CG1-CG1 4.49Å; V229-V259 HydrophobicContact CG1-CG2 4.5Å; V229-V259 HydrophobicContact CG2-CG1 4.23Å; V229-V259 HydrophobicContact CG2-CG2 4.1Å; V229-Q264 WeakPolarHBondContact CG1-O 3.3Å; V229-E374 HydrophobicContact CB-CB 3.96Å; V229-E374 HydrophobicContact CG2-CB 3.61Å; V229-E374 PolarHBondContact N-OE2 3.12Å; V229-E374 VanDerWaalsContact N-OE2 3.1Å
230	F	98.8	Very high	98.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.126	C	C	.	.			trans	-65.6	127.2	-178.6	-84.2	-116	0	0	0	110.2	V162 L185 L201 T221 K228 E234 L235 I238	V162-F230 HydrophobicContact CG1-CZ 4.42Å; L185-F230 HydrophobicContact CD2-CZ 4.22Å; L201-F230 HydrophobicContact CD2-CE1 4.29Å; T221-F230 HydrophobicContact CG2-CB 4.27Å; T221-F230 PolarHBondContact OG1-N 2.97Å; K228-F230 HydrophobicContact CD-CD2 4.32Å; K228-F230 HydrophobicContact CD-CE2 4.05Å; K228-F230 HydrophobicContact CG-CD2 4.33Å; K228-F230 HydrophobicContact CG-CE2 4.43Å; F230-E234 HydrophobicContact CD1-CB 3.92Å; F230-L235 HydrophobicContact CB-CD1 4.49Å; F230-L235 HydrophobicContact CB-CD2 3.66Å; F230-L235 HydrophobicContact CB-CG 3.89Å; F230-L235 HydrophobicContact CD1-CD2 4.2Å; F230-L235 HydrophobicContact CG-CD2 4.24Å; F230-I238 HydrophobicContact CD1-CD1 3.9Å; F230-I238 HydrophobicContact CE1-CD1 3.82Å
231	T	98.5	Very high	98.6	Very high	68 Å²	68	23.7 Å²	23.7	42%	0.417	13%	0.128	S	C	.	.			trans	-72.1	159.8	177.9	63.4	0	0	0	0	110.7	V229 G233 E234 L235	V229-T231 PolarHBondContact O-N 3.02Å; T231-G233 PolarHBondContact O-N 3.43Å; T231-E234 PolarHBondContact N-OE2 2.92Å; T231-E234 PolarHBondContact O-N 2.92Å; T231-E234 VanDerWaalsContact O-N 3.16Å; T231-E234 WeakPolarHBondContact OG1-CG 3.48Å; T231-E234 PolarHBondContact OG1-N 3.09Å; T231-E234 PolarHBondContact OG1-OE2 2.88Å; T231-L235 WeakPolarHBondContact O-CG 3.27Å; T231-L235 PolarHBondContact O-N 2.79Å
232	R	98.4	Very high	98.6	Very high	135 Å²	135	23.7 Å²	23.7	51%	0.509	13%	0.128	S	C	.	.	H	α-helix	trans	-53.8	-37.6	173	179.8	175.8	-69.4	-81.9	-1.2	112.5	L235 Q236	R232-L235 PolarHBondContact O-N 3Å; R232-Q236 WeakPolarHBondContact O-CB 3.35Å; R232-Q236 PolarHBondContact O-N 3.47Å
233	G	98.3	Very high	98.6	Very high	53 Å²	53	27 Å²	27	55%	0.546	15%	0.145	S	C	.	.	H	α-helix	trans	-65.8	-45	178.3	0	0	0	0	0	112.7	T231 Q236 M237	T231-G233 PolarHBondContact O-N 3.43Å; G233-Q236 PolarHBondContact O-N 2.84Å; G233-M237 PolarHBondContact O-N 2.59Å
234	E	98.5	Very high	98.6	Very high	25 Å²	25	33.8 Å²	33.8	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-41.6	175.8	-69.4	164.7	135	0	0	111.6	K228 F230 T231 M237 I238	K228-E234 WeakPolarHBondContact CE-OE1 3.37Å; K228-E234 IonicContact NZ-OE1 3.12Å; K228-E234 PolarHBondContact NZ-OE1 2.96Å; K228-E234 IonicContact NZ-OE2 3.81Å; K228-E234 PolarHBondContact NZ-OE2 3.49Å; F230-E234 HydrophobicContact CD1-CB 3.92Å; T231-E234 PolarHBondContact N-OE2 2.92Å; T231-E234 PolarHBondContact O-N 2.92Å; T231-E234 VanDerWaalsContact O-N 3.16Å; T231-E234 WeakPolarHBondContact OG1-CG 3.48Å; T231-E234 PolarHBondContact OG1-N 3.09Å; T231-E234 PolarHBondContact OG1-OE2 2.88Å; E234-M237 PolarHBondContact O-N 3.37Å; E234-I238 WeakPolarHBondContact O-CD1 3.41Å; E234-I238 WeakPolarHBondContact O-CG1 3.18Å; E234-I238 PolarHBondContact O-N 3.09Å; E234-I238 VanDerWaalsContact O-N 3.12Å
235	L	98.9	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-35.2	176.1	-64.9	178	0	0	0	112.5	I219 F230 T231 R232 I238 A239 V266 I268 L271	I219-L235 HydrophobicContact CD1-CD2 3.88Å; F230-L235 HydrophobicContact CB-CD1 4.49Å; F230-L235 HydrophobicContact CB-CD2 3.66Å; F230-L235 HydrophobicContact CB-CG 3.89Å; F230-L235 HydrophobicContact CD1-CD2 4.2Å; F230-L235 HydrophobicContact CG-CD2 4.24Å; T231-L235 WeakPolarHBondContact O-CG 3.27Å; T231-L235 PolarHBondContact O-N 2.79Å; R232-L235 PolarHBondContact O-N 3Å; L235-I238 HydrophobicContact CD2-CD1 4.46Å; L235-I238 PolarHBondContact O-N 2.95Å; L235-A239 VanDerWaalsContact O-CB 3.29Å; L235-A239 WeakPolarHBondContact O-CB 3.33Å; L235-A239 PolarHBondContact O-N 3.18Å; L235-V266 HydrophobicContact CD1-CB 3.68Å; L235-V266 HydrophobicContact CD1-CG1 3.72Å; L235-V266 WeakPolarHBondContact CD1-O 3.44Å; L235-I268 HydrophobicContact CB-CG1 4.38Å; L235-I268 HydrophobicContact CD2-CB 4.29Å; L235-I268 HydrophobicContact CD2-CD1 4.3Å; L235-L271 HydrophobicContact CB-CD1 3.79Å
236	Q	98.8	Very high	98.7	Very high	59 Å²	59	42.8 Å²	42.8	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-65	-43.7	175.6	-172.1	62.9	56.4	0	0	110.9	R232 G233 I238 A239 D240 L271	R232-Q236 WeakPolarHBondContact O-CB 3.35Å; R232-Q236 PolarHBondContact O-N 3.47Å; G233-Q236 PolarHBondContact O-N 2.84Å; Q236-I238 VanDerWaalsContact C-N 3.33Å; Q236-I238 PolarHBondContact O-N 3.05Å; Q236-A239 WeakPolarHBondContact O-CB 3.49Å; Q236-A239 PolarHBondContact O-N 2.64Å; Q236-A239 VanDerWaalsContact O-N 3.16Å; Q236-D240 PolarHBondContact NE2-OD1 2.69Å; Q236-D240 WeakPolarHBondContact O-CB 3.44Å; Q236-D240 PolarHBondContact O-N 2.96Å; Q236-L271 HydrophobicContact CB-CD1 4.47Å
237	M	98.6	Very high	98.7	Very high	37 Å²	37	42.8 Å²	42.8	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-45.7	173.9	172.5	-166.1	64.3	0	0	111.9	L201 P203 L206 G233 E234 D240 L241	L201-M237 HydrophobicContact CB-CE 4.21Å; L201-M237 HydrophobicContact CD2-CE 4.11Å; L201-M237 HydrophobicContact CG-CE 4.25Å; P203-M237 HydrophobicContact CB-SD 3.59Å; P203-M237 VanDerWaalsContact CB-SD 3.59Å; P203-M237 HydrophobicContact CG-SD 3.67Å; L206-M237 HydrophobicContact CD2-CE 3.62Å; L206-M237 HydrophobicContact CD2-CG 4.33Å; L206-M237 HydrophobicContact CD2-SD 4.16Å; G233-M237 PolarHBondContact O-N 2.59Å; E234-M237 PolarHBondContact O-N 3.37Å; M237-D240 PolarHBondContact O-N 3.37Å; M237-L241 PolarHBondContact O-N 3.36Å
238	I	98.9	Very high	98.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-44.2	176.1	-67.4	157.1	0	0	0	110.6	L201 L206 I217 I219 F230 E234 L235 Q236 L241 C242 I268	L201-I238 HydrophobicContact CD2-CD1 4.17Å; L201-I238 HydrophobicContact CD2-CG1 4.27Å; L206-I238 HydrophobicContact CD2-CG1 4.01Å; I217-I238 HydrophobicContact CD1-CG2 4.19Å; I217-I238 HydrophobicContact CG2-CG2 4.16Å; I219-I238 HydrophobicContact CG2-CD1 4.13Å; I219-I238 HydrophobicContact CG2-CG2 4.31Å; F230-I238 HydrophobicContact CD1-CD1 3.9Å; F230-I238 HydrophobicContact CE1-CD1 3.82Å; E234-I238 WeakPolarHBondContact O-CD1 3.41Å; E234-I238 WeakPolarHBondContact O-CG1 3.18Å; E234-I238 PolarHBondContact O-N 3.09Å; E234-I238 VanDerWaalsContact O-N 3.12Å; L235-I238 HydrophobicContact CD2-CD1 4.46Å; L235-I238 PolarHBondContact O-N 2.95Å; Q236-I238 VanDerWaalsContact C-N 3.33Å; Q236-I238 PolarHBondContact O-N 3.05Å; I238-L241 PolarHBondContact O-N 3.26Å; I238-C242 PolarHBondContact O-N 3.2Å; I238-C242 PolarHBondContact O-SG 3.29Å; I238-I268 HydrophobicContact CB-CD1 4.07Å; I238-I268 HydrophobicContact CG2-CD1 3.68Å
239	A	98.9	Very high	98.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-45.6	179.1	0	0	0	0	0	112.1	L235 Q236 L241 C242 I243 I268 L271 M274	L235-A239 VanDerWaalsContact O-CB 3.29Å; L235-A239 WeakPolarHBondContact O-CB 3.33Å; L235-A239 PolarHBondContact O-N 3.18Å; Q236-A239 WeakPolarHBondContact O-CB 3.49Å; Q236-A239 PolarHBondContact O-N 2.64Å; Q236-A239 VanDerWaalsContact O-N 3.16Å; A239-L241 VanDerWaalsContact C-N 3.3Å; A239-L241 PolarHBondContact O-N 2.9Å; A239-C242 PolarHBondContact O-N 2.78Å; A239-I243 VanDerWaalsContact O-CG1 3.29Å; A239-I243 WeakPolarHBondContact O-CG1 3.28Å; A239-I243 PolarHBondContact O-N 3.06Å; A239-I268 HydrophobicContact CB-CD1 4.47Å; A239-I268 HydrophobicContact CB-CG1 4.49Å; A239-L271 HydrophobicContact CB-CD1 4.07Å; A239-M274 VanDerWaalsContact CA-SD 3.54Å; A239-M274 HydrophobicContact CB-CE 4.25Å; A239-M274 HydrophobicContact CB-CG 3.51Å; A239-M274 HydrophobicContact CB-SD 3.5Å; A239-M274 VanDerWaalsContact CB-SD 3.5Å
240	D	98.9	Very high	98.8	Very high	84 Å²	84	43.9 Å²	43.9	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-41.3	179.7	-66.7	-19.5	0	0	0	111.2	Q236 M237 I243 K244	Q236-D240 PolarHBondContact NE2-OD1 2.69Å; Q236-D240 WeakPolarHBondContact O-CB 3.44Å; Q236-D240 PolarHBondContact O-N 2.96Å; M237-D240 PolarHBondContact O-N 3.37Å; D240-I243 PolarHBondContact O-N 3.19Å; D240-K244 VanDerWaalsContact O-CB 3.23Å; D240-K244 WeakPolarHBondContact O-CB 3.49Å; D240-K244 PolarHBondContact O-N 2.9Å
241	L	98.9	Very high	98.8	Very high	17 Å²	17	43.8 Å²	43.8	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-42	175.3	-69.2	171.4	0	0	0	112.4	L206 F210 M237 I238 A239 I243 K244 H245	L206-L241 HydrophobicContact CB-CD1 4.4Å; L206-L241 HydrophobicContact CD2-CD1 3.6Å; L206-L241 HydrophobicContact CG-CD1 3.61Å; F210-L241 HydrophobicContact CD1-CB 4.46Å; F210-L241 HydrophobicContact CD2-CB 4.11Å; F210-L241 HydrophobicContact CD2-CD1 4.02Å; F210-L241 HydrophobicContact CD2-CG 4.46Å; F210-L241 HydrophobicContact CE1-CB 4.04Å; F210-L241 HydrophobicContact CE2-CB 3.68Å; F210-L241 HydrophobicContact CE2-CD1 3.7Å; F210-L241 HydrophobicContact CE2-CG 4.25Å; F210-L241 HydrophobicContact CG-CB 4.49Å; F210-L241 HydrophobicContact CZ-CB 3.64Å; F210-L241 HydrophobicContact CZ-CD1 4.44Å; M237-L241 PolarHBondContact O-N 3.36Å; I238-L241 PolarHBondContact O-N 3.26Å; A239-L241 VanDerWaalsContact C-N 3.3Å; A239-L241 PolarHBondContact O-N 2.9Å; L241-I243 VanDerWaalsContact C-N 3.27Å; L241-I243 PolarHBondContact O-N 3.41Å; L241-K244 PolarHBondContact O-N 3.12Å; L241-H245 WeakPolarHBondContact O-CB 3.42Å; L241-H245 PolarHBondContact O-CD2 3.36Å; L241-H245 PolarHBondContact O-N 3.3Å
242	C	98.9	Very high	98.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-38.3	175.3	-64	0	0	0	0	111.9	I217 I238 A239 D246 T247 M274 R277	I217-C242 VanDerWaalsContact CG2-SG 3.51Å; I238-C242 PolarHBondContact O-N 3.2Å; I238-C242 PolarHBondContact O-SG 3.29Å; A239-C242 PolarHBondContact O-N 2.78Å; C242-D246 WeakPolarHBondContact O-CA 3.48Å; C242-D246 PolarHBondContact O-N 2.99Å; C242-D246 VanDerWaalsContact O-N 3.09Å; C242-T247 WeakPolarHBondContact CA-OG1 3.37Å; C242-T247 PolarHBondContact O-N 3.24Å; C242-M274 HydrophobicContact CB-CE 3.95Å; C242-M274 HydrophobicContact CB-SD 4.21Å; C242-R277 PolarHBondContact O-NH1 3.16Å
243	I	98.9	Very high	98.8	Very high	69 Å²	69	34.4 Å²	34.4	35%	0.354	18%	0.183	S	C	.	.	H	α-helix	trans	-69.6	-49.1	176.9	-68.2	163.9	0	0	0	110.6	A239 D240 L241 H245 D246 M274	A239-I243 VanDerWaalsContact O-CG1 3.29Å; A239-I243 WeakPolarHBondContact O-CG1 3.28Å; A239-I243 PolarHBondContact O-N 3.06Å; D240-I243 PolarHBondContact O-N 3.19Å; L241-I243 VanDerWaalsContact C-N 3.27Å; L241-I243 PolarHBondContact O-N 3.41Å; I243-H245 VanDerWaalsContact C-N 3.3Å; I243-H245 PolarHBondContact O-N 2.94Å; I243-D246 PolarHBondContact O-N 3.33Å; I243-M274 HydrophobicContact CD1-SD 4.25Å; I243-M274 HydrophobicContact CG1-SD 4.15Å
244	K	98.7	Very high	98.8	Very high	149 Å²	149	32.5 Å²	32.5	65%	0.648	16%	0.161	S	C	*	.	H	α-helix	trans	-58.6	-40.1	-179.1	177.1	-175.9	172.7	-168.7	0	112.9	D240 L241	D240-K244 VanDerWaalsContact O-CB 3.23Å; D240-K244 WeakPolarHBondContact O-CB 3.49Å; D240-K244 PolarHBondContact O-N 2.9Å; L241-K244 PolarHBondContact O-N 3.12Å
245	H	98.8	Very high	98.9	Very high	60 Å²	60	32 Å²	32	28%	0.278	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	3.2	-175.3	-70.5	-91.2	0	0	0	113.7	F210 L241 I243 T247	F210-H245 HydrophobicContact CD1-CB 3.79Å; F210-H245 AromaticContact CD1-CD2 3.92Å; F210-H245 AromaticContact CD1-CG 3.84Å; F210-H245 AromaticContact CG-CD2 3.99Å; L241-H245 WeakPolarHBondContact O-CB 3.42Å; L241-H245 PolarHBondContact O-CD2 3.36Å; L241-H245 PolarHBondContact O-N 3.3Å; I243-H245 VanDerWaalsContact C-N 3.3Å; I243-H245 PolarHBondContact O-N 2.94Å; H245-T247 HydrophobicContact CB-CG2 3.69Å; H245-T247 WeakPolarHBondContact O-CG2 3.38Å; H245-T247 PolarHBondContact O-N 3.46Å
246	D	98.8	Very high	98.9	Very high	132 Å²	132	32.3 Å²	32.3	71%	0.706	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	50.7	-175.7	-161.6	37.2	0	0	0	114.4	C242 I243 R277	C242-D246 WeakPolarHBondContact O-CA 3.48Å; C242-D246 PolarHBondContact O-N 2.99Å; C242-D246 VanDerWaalsContact O-N 3.09Å; I243-D246 PolarHBondContact O-N 3.33Å; D246-R277 IonicContact OD1-NH1 3.61Å; D246-R277 PolarHBondContact OD1-NH1 3.09Å
247	T	98.9	Very high	98.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	15%	0.154	C	C	.	.			trans	-109.1	160.7	-177.8	74.2	0	0	0	0	111.8	F210 T214 C242 H245	F210-T247 HydrophobicContact CD1-CG2 4.11Å; F210-T247 HydrophobicContact CE1-CG2 4.14Å; T214-T247 HydrophobicContact CG2-CG2 3.86Å; T214-T247 VanDerWaalsContact O-CG2 3.24Å; T214-T247 WeakPolarHBondContact O-CG2 3.37Å; C242-T247 WeakPolarHBondContact CA-OG1 3.37Å; C242-T247 PolarHBondContact O-N 3.24Å; H245-T247 HydrophobicContact CB-CG2 3.69Å; H245-T247 WeakPolarHBondContact O-CG2 3.38Å; H245-T247 PolarHBondContact O-N 3.46Å
248	L	98.9	Very high	98.8	Very high	27 Å²	27	29.9 Å²	29.9	14%	0.141	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	153.6	175	-56.6	173.4	0	0	0	111.3	L152 K215 A216 I217 F250 R277 L304	L152-L248 HydrophobicContact CB-CD1 4.02Å; L152-L248 HydrophobicContact CD1-CD1 4.14Å; L152-L248 HydrophobicContact CD2-CD1 4.45Å; L152-L248 HydrophobicContact CG-CD1 4.44Å; K215-L248 HydrophobicContact CD-CD1 4.29Å; K215-L248 PolarHBondContact O-N 3.43Å; A216-L248 CarbonylContact C-O 3.37Å; A216-L248 WeakPolarHBondContact CA-O 3.38Å; A216-L248 HydrophobicContact CB-CB 4Å; I217-L248 PolarHBondContact N-O 3.49Å; L248-F250 HydrophobicContact CB-CD1 4.43Å; L248-F250 HydrophobicContact CB-CE1 3.76Å; L248-F250 HydrophobicContact CB-CZ 4.29Å; L248-F250 HydrophobicContact CD1-CE1 3.98Å; L248-F250 HydrophobicContact CD1-CZ 4.15Å; L248-R277 CarbonylContact C-O 3.59Å; L248-R277 WeakPolarHBondContact CA-O 3.21Å; L248-R277 HydrophobicContact CD2-CB 4.36Å; L248-L304 HydrophobicContact CD2-CD1 4.03Å; L248-L304 HydrophobicContact CD2-CD2 3.94Å
249	C	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	169.4	-175.3	0	0	0	0	110.1	I217 M274 R277 T278 I279	I217-C249 HydrophobicContact CG2-CB 4.36Å; C249-M274 HydrophobicContact CB-CE 3.83Å; C249-R277 PolarHBondContact N-O 2.82Å; C249-T278 HydrophobicContact CB-CG2 4.31Å; C249-T278 VanDerWaalsContact O-CA 3.28Å; C249-T278 WeakPolarHBondContact O-CA 3.48Å; C249-I279 PolarHBondContact O-N 2.82Å
250	F	98.9	Very high	98.8	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	103	171.1	-53.4	-24.8	0	0	0	107.6	T148 I149 L152 V153 A216 I217 I218 I219 L248 I279	T148-F250 HydrophobicContact CG2-CB 4.43Å; T148-F250 HydrophobicContact CG2-CD1 3.43Å; T148-F250 VanDerWaalsContact CG2-CD1 3.43Å; T148-F250 HydrophobicContact CG2-CD2 3.95Å; T148-F250 HydrophobicContact CG2-CE1 3.53Å; T148-F250 HydrophobicContact CG2-CE2 4.04Å; T148-F250 HydrophobicContact CG2-CG 3.67Å; T148-F250 HydrophobicContact CG2-CZ 3.85Å; I149-F250 HydrophobicContact CG1-CD2 4.41Å; I149-F250 HydrophobicContact CG1-CE2 4.35Å; L152-F250 HydrophobicContact CB-CE1 4.49Å; L152-F250 HydrophobicContact CB-CZ 4Å; L152-F250 HydrophobicContact CD1-CE1 3.79Å; L152-F250 HydrophobicContact CD1-CZ 4.12Å; V153-F250 HydrophobicContact CG2-CE2 3.93Å; V153-F250 HydrophobicContact CG2-CZ 4.25Å; A216-F250 HydrophobicContact CB-CD2 3.99Å; A216-F250 HydrophobicContact CB-CE1 4.15Å; A216-F250 HydrophobicContact CB-CE2 3.51Å; A216-F250 HydrophobicContact CB-CG 4.49Å; A216-F250 HydrophobicContact CB-CZ 3.59Å; I217-F250 PolarHBondContact O-N 3.18Å; I218-F250 WeakPolarHBondContact CA-O 3.36Å; I218-F250 HydrophobicContact CD1-CD2 4.5Å; I218-F250 HydrophobicContact CG1-CB 4.15Å; I218-F250 HydrophobicContact CG1-CD2 3.94Å; I219-F250 PolarHBondContact N-O 3.44Å; L248-F250 HydrophobicContact CB-CD1 4.43Å; L248-F250 HydrophobicContact CB-CE1 3.76Å; L248-F250 HydrophobicContact CB-CZ 4.29Å; L248-F250 HydrophobicContact CD1-CE1 3.98Å; L248-F250 HydrophobicContact CD1-CZ 4.15Å; F250-I279 HydrophobicContact CD1-CB 4.34Å
251	S	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.8	-176	-165	0	0	0	0	110	E253 I279 T280 I281	S251-E253 WeakPolarHBondContact CB-OE1 3.35Å; S251-E253 PolarHBondContact O-N 3Å; S251-E253 VanDerWaalsContact OG-CG 3.28Å; S251-E253 WeakPolarHBondContact OG-CG 3.19Å; S251-E253 PolarHBondContact OG-OE1 3.41Å; S251-I279 PolarHBondContact N-O 3.3Å; S251-T280 WeakPolarHBondContact O-CA 3.18Å; S251-I281 PolarHBondContact O-N 3.14Å
252	D	98.9	Very high	98.5	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.032	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	106.8	170.5	-171.9	-26.2	0	0	0	109.5	L145 Y169 I219 N220 T221 V254	L145-D252 HydrophobicContact CD2-CB 4.49Å; Y169-D252 WeakPolarHBondContact OH-CB 3.47Å; Y169-D252 PolarHBondContact OH-OD2 2.9Å; I219-D252 PolarHBondContact O-N 3.1Å; N220-D252 WeakPolarHBondContact CA-O 3.42Å; N220-D252 HydrophobicContact CB-CB 4.22Å; N220-D252 PolarHBondContact ND2-O 3.33Å; T221-D252 PolarHBondContact N-O 3.09Å; T221-D252 VanDerWaalsContact N-O 3.17Å; D252-V254 VanDerWaalsContact OD1-CG1 3.3Å; D252-V254 WeakPolarHBondContact OD1-CG1 3.45Å; D252-V254 WeakPolarHBondContact OD1-CG2 3.39Å; D252-V254 PolarHBondContact OD1-N 2.92Å
253	E	98.9	Very high	98.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.			trans	-121.2	31.1	-175.1	-59	-177.5	-161.7	0	0	111.5	S251 Y255 E256 H265 K267 T280 I281	S251-E253 WeakPolarHBondContact CB-OE1 3.35Å; S251-E253 PolarHBondContact O-N 3Å; S251-E253 VanDerWaalsContact OG-CG 3.28Å; S251-E253 WeakPolarHBondContact OG-CG 3.19Å; S251-E253 PolarHBondContact OG-OE1 3.41Å; E253-Y255 PolarHBondContact O-N 3.27Å; E253-E256 HydrophobicContact CB-CB 4.38Å; E253-E256 VanDerWaalsContact O-CB 3.26Å; E253-E256 WeakPolarHBondContact O-CB 3.22Å; E253-E256 WeakPolarHBondContact O-CG 3.48Å; E253-E256 PolarHBondContact O-N 2.7Å; E253-H265 IonicContact OE2-CD2 2.83Å; E253-H265 IonicContact OE2-CE1 3.99Å; E253-H265 IonicContact OE2-NE2 3.28Å; E253-H265 PolarHBondContact OE2-NE2 3.16Å; E253-K267 WeakPolarHBondContact OE2-CD 3.29Å; E253-K267 VanDerWaalsContact OE2-CG 3.22Å; E253-K267 WeakPolarHBondContact OE2-CG 3.38Å; E253-K267 IonicContact OE2-NZ 3.07Å; E253-K267 PolarHBondContact OE2-NZ 3.28Å; E253-T280 HydrophobicContact CB-CG2 4.13Å; E253-T280 VanDerWaalsContact CD-CG2 3.41Å; E253-T280 HydrophobicContact CG-CG2 3.94Å; E253-T280 WeakPolarHBondContact OE2-CG2 3.45Å; E253-I281 CarbonylContact C-O 3.5Å; E253-I281 WeakPolarHBondContact CA-O 3.43Å; E253-I281 PolarHBondContact N-O 3.43Å
254	V	98.9	Very high	98.3	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.085	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.1	-177.7	-64.9	0	0	0	0	114.1	D252 I281 S283 K286	D252-V254 VanDerWaalsContact OD1-CG1 3.3Å; D252-V254 WeakPolarHBondContact OD1-CG1 3.45Å; D252-V254 WeakPolarHBondContact OD1-CG2 3.39Å; D252-V254 PolarHBondContact OD1-N 2.92Å; V254-I281 HydrophobicContact CG1-CG2 4.45Å; V254-S283 VanDerWaalsContact CG1-CB 3.47Å; V254-K286 HydrophobicContact CB-CB 4.36Å; V254-K286 HydrophobicContact CB-CG 4.04Å; V254-K286 HydrophobicContact CG2-CG 4.22Å; V254-K286 WeakPolarHBondContact O-CB 3.48Å
255	Y	98.8	Very high	98.3	Very high	13 Å²	13	40.3 Å²	40.3	5%	0.051	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.1	177.9	-59.2	-61.1	0	0	0	113.7	P222 N224 E253 W257 L258 K286 Y377 F378	P222-Y255 WeakPolarHBondContact CG-O 3.46Å; P222-Y255 WeakPolarHBondContact O-CD2 3.48Å; N224-Y255 HydrophobicContact CB-CE2 3.8Å; E253-Y255 PolarHBondContact O-N 3.27Å; Y255-W257 PolarHBondContact O-N 2.96Å; Y255-L258 HydrophobicContact CD1-CD1 4.04Å; Y255-L258 PolarHBondContact O-N 2.67Å; Y255-K286 HydrophobicContact CD1-CB 4.45Å; Y255-K286 HydrophobicContact CD1-CG 4.48Å; Y255-K286 HydrophobicContact CE1-CB 4.45Å; Y255-K286 HydrophobicContact CE1-CD 4.03Å; Y255-K286 HydrophobicContact CE1-CG 4.05Å; Y255-Y377 HydrophobicContact CD1-CE2 4.47Å; Y255-Y377 HydrophobicContact CE1-CD2 4.26Å; Y255-Y377 HydrophobicContact CE1-CE1 4.03Å; Y255-Y377 AromaticContact CE1-CE2 3.48Å; Y255-Y377 HydrophobicContact CE1-CE2 3.48Å; Y255-Y377 VanDerWaalsContact CE1-CE2 3.48Å; Y255-Y377 AromaticContact CE1-CZ 3.39Å; Y255-Y377 WeakPolarHBondContact CE1-OH 3.24Å; Y255-Y377 AromaticContact CZ-CE2 3.8Å; Y255-Y377 PolarHBondContact OH-OH 3.24Å; Y255-F378 WeakPolarHBondContact OH-CE2 3.26Å
256	E	98.8	Very high	98.3	Very high	7 Å²	7	38 Å²	38	3%	0.033	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-28.8	-171.8	61.6	-178.7	115	0	0	116.1	Y121 E253 H265 K267	Y121-E256 WeakPolarHBondContact CE1-OE1 3.31Å; Y121-E256 WeakPolarHBondContact CE1-OE2 3.14Å; Y121-E256 PolarHBondContact OH-OE1 2.9Å; E253-E256 HydrophobicContact CB-CB 4.38Å; E253-E256 VanDerWaalsContact O-CB 3.26Å; E253-E256 WeakPolarHBondContact O-CB 3.22Å; E253-E256 WeakPolarHBondContact O-CG 3.48Å; E253-E256 PolarHBondContact O-N 2.7Å; E256-H265 VanDerWaalsContact CB-CD2 3.48Å; E256-H265 WeakPolarHBondContact CB-CD2 3.33Å; E256-K267 VanDerWaalsContact CD-NZ 3.29Å; E256-K267 IonicContact OE1-NZ 3.91Å; E256-K267 WeakPolarHBondContact OE2-CE 3.39Å; E256-K267 IonicContact OE2-NZ 3.23Å; E256-K267 PolarHBondContact OE2-NZ 2.54Å
257	W	98.6	Very high	98.3	Very high	42 Å²	42	32 Å²	32	16%	0.159	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.7	-179.3	-56	115.7	0	0	0	113.2	V120 V124 Y255 V259 M338 F345	V120-W257 HydrophobicContact CG1-CH2 4.36Å; V120-W257 HydrophobicContact CG1-CZ2 4.07Å; V124-W257 HydrophobicContact CG2-CH2 3.77Å; Y255-W257 PolarHBondContact O-N 2.96Å; W257-V259 PolarHBondContact O-N 3Å; W257-M338 HydrophobicContact CH2-CE 4.22Å; W257-M338 HydrophobicContact CZ3-CE 4.32Å; W257-F345 HydrophobicContact CD2-CB 3.83Å; W257-F345 HydrophobicContact CD2-CD1 4.21Å; W257-F345 HydrophobicContact CD2-CD2 4.42Å; W257-F345 AromaticContact CD2-CG 3.93Å; W257-F345 HydrophobicContact CD2-CG 3.93Å; W257-F345 HydrophobicContact CE3-CB 3.65Å; W257-F345 HydrophobicContact CE3-CD2 4.33Å; W257-F345 HydrophobicContact CE3-CG 4.05Å; W257-F345 HydrophobicContact CG-CB 4.22Å; W257-F345 HydrophobicContact CG-CD1 4.32Å; W257-F345 HydrophobicContact CG-CG 4.4Å; W257-F345 HydrophobicContact CH2-CD2 4Å; W257-F345 HydrophobicContact CH2-CE2 4.36Å; W257-F345 HydrophobicContact CH2-CG 4.46Å; W257-F345 HydrophobicContact CZ2-CD2 4.12Å; W257-F345 HydrophobicContact CZ2-CE2 4.21Å; W257-F345 HydrophobicContact CZ2-CG 4.37Å; W257-F345 HydrophobicContact CZ3-CB 4.15Å; W257-F345 HydrophobicContact CZ3-CD2 4.12Å; W257-F345 HydrophobicContact CZ3-CG 4.31Å
258	L	98.5	Very high	98.3	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.169	C	C	.	.			trans	-100.4	67.2	-177	-53.4	-172.5	0	0	0	109.6	Y255 L348 L352 G375 G376 Y377	Y255-L258 HydrophobicContact CD1-CD1 4.04Å; Y255-L258 PolarHBondContact O-N 2.67Å; L258-L348 HydrophobicContact CD2-CB 4.37Å; L258-L348 HydrophobicContact CD2-CD2 3.66Å; L258-L348 HydrophobicContact CD2-CG 3.8Å; L258-L352 HydrophobicContact CD1-CD1 4.18Å; L258-L352 HydrophobicContact CD2-CD1 4.03Å; L258-G375 CarbonylContact O-C 3.45Å; L258-G375 WeakPolarHBondContact O-CA 3.12Å; L258-G376 PolarHBondContact O-N 3.31Å; L258-Y377 HydrophobicContact CD1-CD1 3.97Å; L258-Y377 HydrophobicContact CD1-CE1 4.48Å; L258-Y377 HydrophobicContact CD1-CG 4.49Å
259	V	98.5	Very high	98.3	Very high	26 Å²	26	30.7 Å²	30.7	16%	0.158	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-119.5	128.7	175.7	177.5	0	0	0	0	109.2	P222 V229 W257 H263 H265	P222-V259 HydrophobicContact CG-CG2 3.77Å; V229-V259 HydrophobicContact CG1-CG1 4.49Å; V229-V259 HydrophobicContact CG1-CG2 4.5Å; V229-V259 HydrophobicContact CG2-CG1 4.23Å; V229-V259 HydrophobicContact CG2-CG2 4.1Å; W257-V259 PolarHBondContact O-N 3Å; V259-H263 HydrophobicContact CG1-CB 3.59Å; V259-H265 HydrophobicContact CG2-CB 3.87Å
260	Y	98.4	Very high	98.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	18%	0.177	C	C	.	.			trans	-83.5	162.8	-174.6	-58.4	-57.1	0	0	0	112.6	G262 H263 A349 L352 E353 R356 P373 E374 G376 F438	Y260-G262 PolarHBondContact O-N 3.11Å; Y260-H263 PolarHBondContact O-N 3.36Å; Y260-H263 VanDerWaalsContact O-N 3.16Å; Y260-A349 WeakPolarHBondContact CE1-O 3.49Å; Y260-L352 HydrophobicContact CE1-CB 3.99Å; Y260-E353 HydrophobicContact CD1-CB 3.68Å; Y260-E353 HydrophobicContact CD1-CG 4.03Å; Y260-E353 HydrophobicContact CE1-CB 4.08Å; Y260-E353 HydrophobicContact CG-CG 4.46Å; Y260-R356 VanDerWaalsContact CD2-NH1 3.3Å; Y260-P373 VanDerWaalsContact CD2-O 3.3Å; Y260-P373 WeakPolarHBondContact CD2-O 3.46Å; Y260-P373 HydrophobicContact CE2-CG 4.32Å; Y260-E374 VanDerWaalsContact CD2-C 3.45Å; Y260-E374 WeakPolarHBondContact CD2-O 3.32Å; Y260-E374 PolarHBondContact N-O 2.8Å; Y260-G376 WeakPolarHBondContact CE2-O 3.35Å; Y260-G376 PolarHBondContact OH-O 3.24Å; Y260-F438 HydrophobicContact CE2-CZ 4.18Å; Y260-F438 AromaticContact CZ-CZ 3.93Å; Y260-F438 WeakPolarHBondContact OH-CE2 3.36Å; Y260-F438 WeakPolarHBondContact OH-CZ 3.4Å
261	K	95.7	Very high	98.3	Very high	177 Å²	177	33.2 Å²	33.2	77%	0.77	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	136.2	-175.1	-172.2	177	179.6	178.9	0	111.7
262	G	95.9	Very high	98.3	Very high	76 Å²	76	37.9 Å²	37.9	78%	0.784	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.2	-9.6	-177.8	0	0	0	0	0	114.3	Y260	Y260-G262 PolarHBondContact O-N 3.11Å
263	H	97.2	Very high	98.3	Very high	81 Å²	81	39.9 Å²	39.9	38%	0.375	23%	0.23	S	C	.	.			trans	-118.7	162.8	178.2	-54.8	-85.7	0	0	0	110.8	V259 Y260 E374	V259-H263 HydrophobicContact CG1-CB 3.59Å; Y260-H263 PolarHBondContact O-N 3.36Å; Y260-H263 VanDerWaalsContact O-N 3.16Å; H263-E374 VanDerWaalsContact CE1-CG 3.44Å; H263-E374 WeakPolarHBondContact CE1-CG 3.43Å; H263-E374 IonicContact CE1-OE1 2.97Å; H263-E374 PolarHBondContact CE1-OE1 3.19Å; H263-E374 IonicContact CG-OE1 3.47Å; H263-E374 IonicContact ND1-OE1 2.64Å; H263-E374 PolarHBondContact ND1-OE1 2.95Å
264	Q	97.1	Very high	98.3	Very high	142 Å²	142	39.9 Å²	39.9	66%	0.664	23%	0.23	S	C	*	.			trans	-138.8	131.2	179.8	-175.6	-179.6	15.4	0	0	110.1	V229 V266	V229-Q264 WeakPolarHBondContact CG1-O 3.3Å; Q264-V266 PolarHBondContact O-N 3.19Å
265	H	98.6	Very high	98.3	Very high	34 Å²	34	40.7 Å²	40.7	16%	0.157	23%	0.231	C	C	.	.			trans	-70	120.8	168.1	-169.7	55.3	0	0	0	110.2	T221 E253 E256 V259	T221-H265 PolarHBondContact O-CE1 3.5Å; E253-H265 IonicContact OE2-CD2 2.83Å; E253-H265 IonicContact OE2-CE1 3.99Å; E253-H265 IonicContact OE2-NE2 3.28Å; E253-H265 PolarHBondContact OE2-NE2 3.16Å; E256-H265 VanDerWaalsContact CB-CD2 3.48Å; E256-H265 WeakPolarHBondContact CB-CD2 3.33Å; V259-H265 HydrophobicContact CG2-CB 3.87Å
266	V	98.7	Very high	98.3	Very high	10 Å²	10	44.8 Å²	44.8	6%	0.061	25%	0.254	C	S	.	.			trans	-114.3	123.1	175.1	179.2	0	0	0	0	108.1	L235 Q264	L235-V266 HydrophobicContact CD1-CB 3.68Å; L235-V266 HydrophobicContact CD1-CG1 3.72Å; L235-V266 WeakPolarHBondContact CD1-O 3.44Å; Q264-V266 PolarHBondContact O-N 3.19Å
267	K	98.9	Very high	98.3	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.03	26%	0.26	C	S	.	.			trans	-83.4	121.2	176.7	-57.1	-158.6	170.1	-87.2	0	110	V124 Y125 E253 E256 A269 T270	V124-K267 HydrophobicContact CG1-CD 3.78Å; V124-K267 HydrophobicContact CG1-CG 4.43Å; Y125-K267 HydrophobicContact CD1-CD 4.23Å; Y125-K267 HydrophobicContact CE1-CB 3.99Å; Y125-K267 HydrophobicContact CE1-CD 3.54Å; Y125-K267 HydrophobicContact CE1-CG 4.41Å; Y125-K267 HydrophobicContact CE2-CD 4.05Å; Y125-K267 VanDerWaalsContact CZ-CD 3.44Å; E253-K267 WeakPolarHBondContact OE2-CD 3.29Å; E253-K267 VanDerWaalsContact OE2-CG 3.22Å; E253-K267 WeakPolarHBondContact OE2-CG 3.38Å; E253-K267 IonicContact OE2-NZ 3.07Å; E253-K267 PolarHBondContact OE2-NZ 3.28Å; E256-K267 VanDerWaalsContact CD-NZ 3.29Å; E256-K267 IonicContact OE1-NZ 3.91Å; E256-K267 WeakPolarHBondContact OE2-CE 3.39Å; E256-K267 IonicContact OE2-NZ 3.23Å; E256-K267 PolarHBondContact OE2-NZ 2.54Å; K267-A269 PolarHBondContact O-N 3.41Å; K267-T270 HydrophobicContact CB-CG2 4.05Å; K267-T270 WeakPolarHBondContact O-CB 3.45Å; K267-T270 PolarHBondContact O-N 3.25Å; K267-T270 PolarHBondContact O-OG1 3.21Å
268	I	98.9	Very high	98.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.1	-178.1	-163.6	170.2	0	0	0	112.6	I219 L235 I238 A239 T270 L271 M274 T278	I219-I268 HydrophobicContact CD1-CB 4.18Å; I219-I268 HydrophobicContact CD1-CD1 3.87Å; I219-I268 HydrophobicContact CD1-CG2 3.94Å; L235-I268 HydrophobicContact CB-CG1 4.38Å; L235-I268 HydrophobicContact CD2-CB 4.29Å; L235-I268 HydrophobicContact CD2-CD1 4.3Å; I238-I268 HydrophobicContact CB-CD1 4.07Å; I238-I268 HydrophobicContact CG2-CD1 3.68Å; A239-I268 HydrophobicContact CB-CD1 4.47Å; A239-I268 HydrophobicContact CB-CG1 4.49Å; I268-T270 PolarHBondContact O-N 3.08Å; I268-L271 HydrophobicContact CG1-CD1 4.16Å; I268-L271 WeakPolarHBondContact O-CB 3.41Å; I268-L271 PolarHBondContact O-N 3.46Å; I268-M274 HydrophobicContact CD1-CE 3.95Å; I268-M274 HydrophobicContact CG1-CE 4.04Å; I268-M274 HydrophobicContact CG1-CG 4.34Å; I268-M274 WeakPolarHBondContact O-CB 3.41Å; I268-T278 HydrophobicContact CG2-CG2 3.83Å
269	A	98.9	Very high	98.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.2	-7.8	174.4	0	0	0	0	0	114.9	Y125 R127 K267 W275 T278	Y125-A269 HydrophobicContact CD1-CB 4.39Å; Y125-A269 HydrophobicContact CE1-CB 3.67Å; R127-A269 PolarHBondContact NH1-O 3.34Å; R127-A269 PolarHBondContact NH2-O 3.25Å; R127-A269 VanDerWaalsContact NH2-O 3.1Å; K267-A269 PolarHBondContact O-N 3.41Å; A269-W275 HydrophobicContact CB-CE3 4.32Å; A269-T278 HydrophobicContact CB-CG2 3.74Å
270	T	98.8	Very high	98.4	Very high	52 Å²	52	43.2 Å²	43.2	32%	0.319	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-92.3	-12.5	171.3	65.9	0	0	0	0	113.1	Y125 K267 I268	Y125-T270 HydrophobicContact CD1-CG2 3.54Å; Y125-T270 HydrophobicContact CE1-CG2 4.24Å; Y125-T270 HydrophobicContact CG-CG2 4.4Å; K267-T270 HydrophobicContact CB-CG2 4.05Å; K267-T270 WeakPolarHBondContact O-CB 3.45Å; K267-T270 PolarHBondContact O-N 3.25Å; K267-T270 PolarHBondContact O-OG1 3.21Å; I268-T270 PolarHBondContact O-N 3.08Å
271	L	98.9	Very high	98.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	25%	0.245	C	C	.	.	S	Bend	trans	-72.2	152	176.9	-58.3	-170.2	0	0	0	110.8	L235 Q236 A239 I268 G273 M274	L235-L271 HydrophobicContact CB-CD1 3.79Å; Q236-L271 HydrophobicContact CB-CD1 4.47Å; A239-L271 HydrophobicContact CB-CD1 4.07Å; I268-L271 HydrophobicContact CG1-CD1 4.16Å; I268-L271 WeakPolarHBondContact O-CB 3.41Å; I268-L271 PolarHBondContact O-N 3.46Å; L271-G273 PolarHBondContact O-N 2.86Å; L271-M274 HydrophobicContact CB-CB 4.37Å; L271-M274 HydrophobicContact CB-CG 3.97Å; L271-M274 WeakPolarHBondContact O-CB 3.34Å; L271-M274 PolarHBondContact O-N 2.97Å; L271-M274 VanDerWaalsContact O-N 3.13Å
272	P	98.6	Very high	98.5	Very high	98 Å²	98	34.7 Å²	34.7	64%	0.636	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	131.2	179.4	-26.9	35.7	0	0	0	112.1	M274	P272-M274 PolarHBondContact O-N 3.35Å
273	G	98.4	Very high	98.7	Very high	47 Å²	47	31.7 Å²	31.7	49%	0.485	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-0	178.2	0	0	0	0	0	116.2	L271 R277	L271-G273 PolarHBondContact O-N 2.86Å; G273-R277 PolarHBondContact O-NE 3.17Å
274	M	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-21.6	-174.2	-69.3	-54.6	-66.4	0	0	115.3	A239 C242 I243 C249 I268 L271 P272 D276 R277 T278	A239-M274 VanDerWaalsContact CA-SD 3.54Å; A239-M274 HydrophobicContact CB-CE 4.25Å; A239-M274 HydrophobicContact CB-CG 3.51Å; A239-M274 HydrophobicContact CB-SD 3.5Å; A239-M274 VanDerWaalsContact CB-SD 3.5Å; C242-M274 HydrophobicContact CB-CE 3.95Å; C242-M274 HydrophobicContact CB-SD 4.21Å; I243-M274 HydrophobicContact CD1-SD 4.25Å; I243-M274 HydrophobicContact CG1-SD 4.15Å; C249-M274 HydrophobicContact CB-CE 3.83Å; I268-M274 HydrophobicContact CD1-CE 3.95Å; I268-M274 HydrophobicContact CG1-CE 4.04Å; I268-M274 HydrophobicContact CG1-CG 4.34Å; I268-M274 WeakPolarHBondContact O-CB 3.41Å; L271-M274 HydrophobicContact CB-CB 4.37Å; L271-M274 HydrophobicContact CB-CG 3.97Å; L271-M274 WeakPolarHBondContact O-CB 3.34Å; L271-M274 PolarHBondContact O-N 2.97Å; L271-M274 VanDerWaalsContact O-N 3.13Å; P272-M274 PolarHBondContact O-N 3.35Å; M274-D276 PolarHBondContact O-N 3.32Å; M274-R277 HydrophobicContact CE-CG 3.97Å; M274-R277 PolarHBondContact O-N 2.83Å; M274-R277 HydrophobicContact SD-CG 4.01Å; M274-T278 VanDerWaalsContact O-CB 3.25Å; M274-T278 WeakPolarHBondContact O-CB 3.14Å; M274-T278 PolarHBondContact O-N 3.21Å; M274-T278 PolarHBondContact O-OG1 3.49Å
275	W	98.9	Very high	98.8	Very high	32 Å²	32	21.2 Å²	21.2	12%	0.121	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-56.5	-51	179.7	174.9	-111.6	0	0	0	112.1	V129 E134 A269 R277 T278 I299 P301	V129-W275 HydrophobicContact CG2-CH2 4.38Å; E134-W275 HydrophobicContact CG-CZ2 4.45Å; E134-W275 WeakPolarHBondContact OE1-CZ2 3.41Å; A269-W275 HydrophobicContact CB-CE3 4.32Å; W275-R277 PolarHBondContact O-N 2.83Å; W275-T278 PolarHBondContact O-N 2.84Å; W275-I299 HydrophobicContact CH2-CG2 4.09Å; W275-I299 HydrophobicContact CZ3-CG2 4.27Å; W275-P301 VanDerWaalsContact O-CD 3.25Å; W275-P301 WeakPolarHBondContact O-CD 3.34Å
276	D	98.8	Very high	98.8	Very high	98 Å²	98	21.4 Å²	21.4	52%	0.524	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-69	-2.9	-174.2	-64.5	-48.6	0	0	0	114.3	M274 H303	M274-D276 PolarHBondContact O-N 3.32Å; D276-H303 PolarHBondContact O-CE1 2.83Å; D276-H303 PolarHBondContact O-NE2 2.9Å; D276-H303 VanDerWaalsContact O-NE2 3.12Å
277	R	98.9	Very high	98.8	Very high	42 Å²	42	21.1 Å²	21.1	16%	0.158	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-131.2	10.9	-178.8	69	-177.3	76	-128.6	-6.3	114	C242 D246 L248 C249 G273 M274 W275	C242-R277 PolarHBondContact O-NH1 3.16Å; D246-R277 IonicContact OD1-NH1 3.61Å; D246-R277 PolarHBondContact OD1-NH1 3.09Å; L248-R277 CarbonylContact C-O 3.59Å; L248-R277 WeakPolarHBondContact CA-O 3.21Å; L248-R277 HydrophobicContact CD2-CB 4.36Å; C249-R277 PolarHBondContact N-O 2.82Å; G273-R277 PolarHBondContact O-NE 3.17Å; M274-R277 HydrophobicContact CE-CG 3.97Å; M274-R277 PolarHBondContact O-N 2.83Å; M274-R277 HydrophobicContact SD-CG 4.01Å; W275-R277 PolarHBondContact O-N 2.83Å
278	T	99	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.7	-175.5	-55.4	0	0	0	0	111.8	C249 I268 A269 M274 W275 P301	C249-T278 HydrophobicContact CB-CG2 4.31Å; C249-T278 VanDerWaalsContact O-CA 3.28Å; C249-T278 WeakPolarHBondContact O-CA 3.48Å; I268-T278 HydrophobicContact CG2-CG2 3.83Å; A269-T278 HydrophobicContact CB-CG2 3.74Å; M274-T278 VanDerWaalsContact O-CB 3.25Å; M274-T278 WeakPolarHBondContact O-CB 3.14Å; M274-T278 PolarHBondContact O-N 3.21Å; M274-T278 PolarHBondContact O-OG1 3.49Å; W275-T278 PolarHBondContact O-N 2.84Å; T278-P301 WeakPolarHBondContact O-CD 3.45Å
279	I	99	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.4	160.3	-63	-60.2	0	0	0	107.8	T148 L152 C249 F250 S251 I281 L304 I305 L308	T148-I279 HydrophobicContact CG2-CB 4.09Å; T148-I279 HydrophobicContact CG2-CG1 4.17Å; T148-I279 HydrophobicContact CG2-CG2 4.06Å; L152-I279 HydrophobicContact CD1-CG1 4.14Å; C249-I279 PolarHBondContact O-N 2.82Å; F250-I279 HydrophobicContact CD1-CB 4.34Å; S251-I279 PolarHBondContact N-O 3.3Å; I279-I281 HydrophobicContact CG2-CG1 4.16Å; I279-L304 HydrophobicContact CD1-CB 3.69Å; I279-L304 HydrophobicContact CD1-CD1 4.24Å; I279-L304 HydrophobicContact CG1-CB 4.4Å; I279-L304 HydrophobicContact CG1-CD1 4.42Å; I279-I305 HydrophobicContact CD1-CD1 3.84Å; I279-I305 HydrophobicContact CD1-CG1 4.26Å; I279-L308 HydrophobicContact CD1-CD1 4.45Å; I279-L308 HydrophobicContact CG2-CD2 4.19Å
280	T	99	Very high	98.7	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134	172.7	-56.9	0	0	0	0	110.4	Y125 S251 E253 S298 I299	Y125-T280 WeakPolarHBondContact OH-CB 3.46Å; Y125-T280 WeakPolarHBondContact OH-CG2 3.26Å; Y125-T280 PolarHBondContact OH-OG1 3.42Å; S251-T280 WeakPolarHBondContact O-CA 3.18Å; E253-T280 HydrophobicContact CB-CG2 4.13Å; E253-T280 VanDerWaalsContact CD-CG2 3.41Å; E253-T280 HydrophobicContact CG-CG2 3.94Å; E253-T280 WeakPolarHBondContact OE2-CG2 3.45Å; T280-S298 CarbonylContact O-C 3.45Å; T280-S298 WeakPolarHBondContact O-CA 3.47Å; T280-I299 PolarHBondContact N-O 3.48Å; T280-I299 PolarHBondContact O-N 3.45Å
281	I	98.9	Very high	98.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.5	-174.3	-62.1	170.2	0	0	0	110	L145 S251 E253 V254 I279 W297	L145-I281 HydrophobicContact CB-CD1 4.44Å; L145-I281 HydrophobicContact CD2-CD1 3.44Å; L145-I281 VanDerWaalsContact CD2-CD1 3.44Å; L145-I281 HydrophobicContact CG-CD1 3.75Å; S251-I281 PolarHBondContact O-N 3.14Å; E253-I281 CarbonylContact C-O 3.5Å; E253-I281 WeakPolarHBondContact CA-O 3.43Å; E253-I281 PolarHBondContact N-O 3.43Å; V254-I281 HydrophobicContact CG1-CG2 4.45Å; I279-I281 HydrophobicContact CG2-CG1 4.16Å; I281-W297 WeakPolarHBondContact CA-O 3.44Å
282	G	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	171.9	175.4	0	0	0	0	0	113.1	G296 W297	G282-G296 VanDerWaalsContact O-CA 3.27Å; G282-G296 WeakPolarHBondContact O-CA 3.42Å; G282-W297 PolarHBondContact N-O 3.35Å; G282-W297 PolarHBondContact O-N 3.45Å; G282-W297 VanDerWaalsContact O-N 3.11Å
283	S	98.8	Very high	98.5	Very high	13 Å²	13	21.4 Å²	21.4	9%	0.091	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	120.5	-173.2	178.1	0	0	0	0	112.7	V254 G285 K286 T287	V254-S283 VanDerWaalsContact CG1-CB 3.47Å; S283-G285 PolarHBondContact O-N 3.48Å; S283-G285 PolarHBondContact OG-N 2.92Å; S283-K286 PolarHBondContact O-N 2.88Å; S283-K286 VanDerWaalsContact O-N 3.08Å; S283-T287 PolarHBondContact O-N 3.26Å; S283-T287 PolarHBondContact O-OG1 3.42Å
284	A	98.8	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.9	-36.9	173.1	0	0	0	0	0	111.8	K286 T287 F288 L295 W297 V327	A284-K286 PolarHBondContact O-N 2.88Å; A284-T287 PolarHBondContact O-N 3.38Å; A284-F288 PolarHBondContact O-N 3.12Å; A284-L295 HydrophobicContact CB-CB 3.95Å; A284-L295 WeakPolarHBondContact CB-O 3.21Å; A284-L295 PolarHBondContact N-O 3.37Å; A284-W297 HydrophobicContact CB-CH2 4.23Å; A284-W297 HydrophobicContact CB-CZ3 3.86Å; A284-V327 HydrophobicContact CB-CG1 3.89Å; A284-V327 HydrophobicContact CB-CG2 3.71Å
285	G	98.3	Very high	98.5	Very high	3 Å²	3	24 Å²	24	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-21.9	-178.9	0	0	0	0	0	113.4	S283 V290	S283-G285 PolarHBondContact O-N 3.48Å; S283-G285 PolarHBondContact OG-N 2.92Å; G285-V290 WeakPolarHBondContact CA-O 3.47Å; G285-V290 PolarHBondContact O-N 3Å
286	K	98.3	Very high	98.5	Very high	37 Å²	37	22.5 Å²	22.5	16%	0.161	13%	0.128	C	C	.	.	H	α-helix	trans	-100	-36.8	176.9	-55.9	-45	177.4	-174.8	0	111.9	G78 V254 Y255 S283 A284 F288 T291 Y377	G78-K286 PolarHBondContact O-NZ 3.47Å; V254-K286 HydrophobicContact CB-CB 4.36Å; V254-K286 HydrophobicContact CB-CG 4.04Å; V254-K286 HydrophobicContact CG2-CG 4.22Å; V254-K286 WeakPolarHBondContact O-CB 3.48Å; Y255-K286 HydrophobicContact CD1-CB 4.45Å; Y255-K286 HydrophobicContact CD1-CG 4.48Å; Y255-K286 HydrophobicContact CE1-CB 4.45Å; Y255-K286 HydrophobicContact CE1-CD 4.03Å; Y255-K286 HydrophobicContact CE1-CG 4.05Å; S283-K286 PolarHBondContact O-N 2.88Å; S283-K286 VanDerWaalsContact O-N 3.08Å; A284-K286 PolarHBondContact O-N 2.88Å; K286-F288 PolarHBondContact O-N 2.96Å; K286-T291 HydrophobicContact CD-CG2 4.42Å; K286-T291 VanDerWaalsContact NZ-CG2 3.27Å; K286-Y377 HydrophobicContact CD-CE1 4.42Å; K286-Y377 VanDerWaalsContact CD-OH 3.24Å; K286-Y377 WeakPolarHBondContact CD-OH 3.44Å; K286-Y377 WeakPolarHBondContact CE-OH 3.27Å; K286-Y377 PolarHBondContact NZ-OH 3.42Å
287	T	98.6	Very high	98.5	Very high	4 Å²	4	18 Å²	18	3%	0.025	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-37.5	173.7	-54.8	0	0	0	0	113.3	S283 A284 Y344 F345	S283-T287 PolarHBondContact O-N 3.26Å; S283-T287 PolarHBondContact O-OG1 3.42Å; A284-T287 PolarHBondContact O-N 3.38Å; T287-Y344 WeakPolarHBondContact O-CD1 3.39Å; T287-F345 HydrophobicContact CG2-CD1 3.95Å; T287-F345 HydrophobicContact CG2-CE1 3.55Å
288	F	98.6	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-121.5	13.7	-172.8	-65.6	-63.6	0	0	0	114	P84 Y87 V88 A284 K286 V290 V327 G330 L331 Y344 F345	P84-F288 WeakPolarHBondContact CB-O 3.1Å; Y87-F288 HydrophobicContact CE2-CE1 4.49Å; V88-F288 HydrophobicContact CG1-CB 4.37Å; V88-F288 HydrophobicContact CG2-CB 4.21Å; V88-F288 HydrophobicContact CG2-CD1 3.74Å; V88-F288 HydrophobicContact CG2-CE1 4.35Å; V88-F288 HydrophobicContact CG2-CG 4.03Å; A284-F288 PolarHBondContact O-N 3.12Å; K286-F288 PolarHBondContact O-N 2.96Å; F288-V290 HydrophobicContact CB-CG2 3.93Å; F288-V290 PolarHBondContact O-N 3.26Å; F288-V290 VanDerWaalsContact O-N 3.13Å; F288-V327 HydrophobicContact CD2-CG1 4.48Å; F288-V327 HydrophobicContact CE2-CG1 4.18Å; F288-G330 VanDerWaalsContact CZ-C 3.46Å; F288-L331 HydrophobicContact CE2-CD2 3.86Å; F288-L331 HydrophobicContact CE2-CG 3.89Å; F288-L331 HydrophobicContact CZ-CD2 3.9Å; F288-L331 HydrophobicContact CZ-CG 4.04Å; F288-Y344 HydrophobicContact CD1-CD1 4.22Å; F288-F345 HydrophobicContact CE1-CE1 4.09Å; F288-F345 AromaticContact CZ-CE1 3.93Å; F288-F345 HydrophobicContact CZ-CE1 3.93Å
289	S	98.1	Very high	98.5	Very high	8 Å²	8	16 Å²	16	6%	0.056	10%	0.097	C	C	.	.	S	Bend	trans	58.4	28.2	177.7	-59.9	0	0	0	0	114.1	Y344	S289-Y344 PolarHBondContact OG-OH 3.41Å
290	V	98.1	Very high	98.5	Very high	9 Å²	9	16 Å²	16	6%	0.055	10%	0.097	C	C	.	.			trans	-114.7	58.9	-179.4	-70.9	0	0	0	0	111.4	P84 V88 G285 F288 G292 W293	P84-V290 HydrophobicContact CB-CG1 3.48Å; P84-V290 VanDerWaalsContact CB-CG1 3.48Å; P84-V290 HydrophobicContact CG-CG1 3.81Å; V88-V290 HydrophobicContact CG1-CG1 4.2Å; G285-V290 WeakPolarHBondContact CA-O 3.47Å; G285-V290 PolarHBondContact O-N 3Å; F288-V290 HydrophobicContact CB-CG2 3.93Å; F288-V290 PolarHBondContact O-N 3.26Å; F288-V290 VanDerWaalsContact O-N 3.13Å; V290-G292 PolarHBondContact O-N 3.45Å; V290-G292 VanDerWaalsContact O-N 3.07Å; V290-W293 HydrophobicContact CB-CB 4.27Å; V290-W293 HydrophobicContact CB-CD2 3.75Å; V290-W293 HydrophobicContact CB-CE3 4.36Å; V290-W293 HydrophobicContact CB-CG 3.68Å; V290-W293 HydrophobicContact CG1-CD2 4.18Å; V290-W293 HydrophobicContact CG1-CZ2 4.25Å; V290-W293 HydrophobicContact CG2-CB 4.1Å; V290-W293 HydrophobicContact CG2-CD2 3.65Å; V290-W293 HydrophobicContact CG2-CE3 3.77Å; V290-W293 HydrophobicContact CG2-CG 3.81Å; V290-W293 HydrophobicContact CG2-CZ3 4.47Å; V290-W293 WeakPolarHBondContact O-CB 3.39Å; V290-W293 PolarHBondContact O-N 3.36Å
291	T	96.8	Very high	98.5	Very high	44 Å²	44	16 Å²	16	27%	0.27	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-55.5	-32.1	-171.5	59.5	0	0	0	0	114	F79 K286 W293	F79-T291 HydrophobicContact CB-CG2 4.01Å; K286-T291 HydrophobicContact CD-CG2 4.42Å; K286-T291 VanDerWaalsContact NZ-CG2 3.27Å; T291-W293 VanDerWaalsContact C-N 3.26Å; T291-W293 PolarHBondContact O-N 3.35Å
292	G	97.8	Very high	98.5	Very high	68 Å²	68	20.2 Å²	20.2	70%	0.701	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-69.2	-14.6	176.2	0	0	0	0	0	115.2	V290 K294	V290-G292 PolarHBondContact O-N 3.45Å; V290-G292 VanDerWaalsContact O-N 3.07Å; G292-K294 VanDerWaalsContact C-N 3.29Å; G292-K294 PolarHBondContact O-N 3.17Å
293	W	98.4	Very high	98.5	Very high	39 Å²	39	24.3 Å²	24.3	15%	0.148	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-76.9	-17.8	179.9	-71.7	18.7	0	0	0	113.3	V88 L92 V290 T291 L295 L323 A326 V327	V88-W293 HydrophobicContact CB-CH2 4.5Å; V88-W293 HydrophobicContact CG1-CE3 4.42Å; V88-W293 HydrophobicContact CG1-CH2 3.27Å; V88-W293 HydrophobicContact CG1-CZ2 3.96Å; V88-W293 HydrophobicContact CG1-CZ3 3.53Å; V88-W293 WeakPolarHBondContact O-CH2 3.42Å; L92-W293 HydrophobicContact CB-CH2 3.7Å; L92-W293 HydrophobicContact CB-CZ2 3.76Å; L92-W293 HydrophobicContact CD2-CH2 4.13Å; L92-W293 HydrophobicContact CD2-CZ2 3.47Å; L92-W293 VanDerWaalsContact CD2-CZ2 3.47Å; L92-W293 HydrophobicContact CG-CH2 4.47Å; L92-W293 HydrophobicContact CG-CZ2 4.23Å; V290-W293 HydrophobicContact CB-CB 4.27Å; V290-W293 HydrophobicContact CB-CD2 3.75Å; V290-W293 HydrophobicContact CB-CE3 4.36Å; V290-W293 HydrophobicContact CB-CG 3.68Å; V290-W293 HydrophobicContact CG1-CD2 4.18Å; V290-W293 HydrophobicContact CG1-CZ2 4.25Å; V290-W293 HydrophobicContact CG2-CB 4.1Å; V290-W293 HydrophobicContact CG2-CD2 3.65Å; V290-W293 HydrophobicContact CG2-CE3 3.77Å; V290-W293 HydrophobicContact CG2-CG 3.81Å; V290-W293 HydrophobicContact CG2-CZ3 4.47Å; V290-W293 WeakPolarHBondContact O-CB 3.39Å; V290-W293 PolarHBondContact O-N 3.36Å; T291-W293 VanDerWaalsContact C-N 3.26Å; T291-W293 PolarHBondContact O-N 3.35Å; W293-L295 VanDerWaalsContact C-N 3.26Å; W293-L295 PolarHBondContact O-N 3.36Å; W293-L295 VanDerWaalsContact O-N 3.1Å; W293-L323 HydrophobicContact CB-CD2 4.41Å; W293-L323 HydrophobicContact CD2-CD2 3.89Å; W293-L323 HydrophobicContact CE3-CD2 4.23Å; W293-L323 HydrophobicContact CG-CD2 3.98Å; W293-L323 WeakPolarHBondContact O-CD1 3.35Å; W293-A326 HydrophobicContact CH2-CB 3.67Å; W293-A326 HydrophobicContact CZ3-CB 3.62Å; W293-V327 HydrophobicContact CE3-CG2 3.72Å; W293-V327 HydrophobicContact CZ3-CG2 3.83Å
294	K	98.4	Very high	98.5	Very high	102 Å²	102	24.3 Å²	24.3	44%	0.443	13%	0.134	S	C	.	.			trans	46.5	48.2	171.8	-65.3	-67.2	-59.3	-171.4	0	113.2	V139 G140 G292	V139-K294 CarbonylContact C-O 3.49Å; V139-K294 WeakPolarHBondContact CA-O 3.46Å; V139-K294 HydrophobicContact CG1-CB 3.99Å; G140-K294 VanDerWaalsContact N-C 3.32Å; G140-K294 PolarHBondContact N-O 3.2Å; G292-K294 VanDerWaalsContact C-N 3.29Å; G292-K294 PolarHBondContact O-N 3.17Å
295	L	98.7	Very high	98.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.134	C	C	.	.			trans	-114.5	137.5	170.8	-76.8	177.6	0	0	0	110.8	V137 G140 A284 W293 C319 L323 Q324 V327	V137-L295 HydrophobicContact CG1-CD2 4.17Å; G140-L295 VanDerWaalsContact CA-C 3.43Å; A284-L295 HydrophobicContact CB-CB 3.95Å; A284-L295 WeakPolarHBondContact CB-O 3.21Å; A284-L295 PolarHBondContact N-O 3.37Å; W293-L295 VanDerWaalsContact C-N 3.26Å; W293-L295 PolarHBondContact O-N 3.36Å; W293-L295 VanDerWaalsContact O-N 3.1Å; L295-C319 HydrophobicContact CD2-CB 3.81Å; L295-L323 VanDerWaalsContact CD1-C 3.41Å; L295-L323 HydrophobicContact CD1-CB 3.51Å; L295-L323 HydrophobicContact CG-CB 4.28Å; L295-Q324 HydrophobicContact CD1-CB 4.37Å; L295-Q324 HydrophobicContact CD1-CG 3.82Å; L295-Q324 HydrophobicContact CD2-CG 3.76Å; L295-Q324 HydrophobicContact CG-CG 4.49Å; L295-V327 HydrophobicContact CD1-CG2 3.85Å
296	G	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-178.4	176.9	0	0	0	0	0	110.9	V137 T138 G282	V137-G296 WeakPolarHBondContact CA-O 3.38Å; T138-G296 PolarHBondContact N-O 3.12Å; T138-G296 PolarHBondContact O-N 3.35Å; T138-G296 PolarHBondContact OG1-O 3.4Å; G282-G296 VanDerWaalsContact O-CA 3.27Å; G282-G296 WeakPolarHBondContact O-CA 3.42Å
297	W	98.9	Very high	98.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.1	-179.2	45.9	86.8	0	0	0	111.7	L117 Y121 L136 S144 I281 G282 A284 V327	L117-W297 HydrophobicContact CD1-CB 3.93Å; L117-W297 HydrophobicContact CD1-CD2 4.04Å; L117-W297 HydrophobicContact CD1-CE3 4.09Å; L117-W297 HydrophobicContact CD1-CG 3.97Å; L117-W297 HydrophobicContact CD2-CD2 3.45Å; L117-W297 VanDerWaalsContact CD2-CD2 3.45Å; L117-W297 HydrophobicContact CD2-CE3 3.73Å; L117-W297 HydrophobicContact CD2-CG 3.9Å; L117-W297 HydrophobicContact CD2-CH2 4.13Å; L117-W297 HydrophobicContact CD2-CZ2 3.89Å; L117-W297 HydrophobicContact CD2-CZ3 4.04Å; L117-W297 HydrophobicContact CG-CD2 4.43Å; Y121-W297 AromaticContact CE2-CE2 3.92Å; Y121-W297 HydrophobicContact CE2-CZ2 4.23Å; Y121-W297 AromaticContact CE2-NE1 3.35Å; Y121-W297 AromaticContact CZ-NE1 3.39Å; Y121-W297 WeakPolarHBondContact OH-CZ2 3.47Å; Y121-W297 PolarHBondContact OH-NE1 3.37Å; L136-W297 CarbonylContact O-C 3.51Å; L136-W297 WeakPolarHBondContact O-CA 3.3Å; S144-W297 PolarHBondContact OG-N 3.5Å; S144-W297 PolarHBondContact OG-O 3.11Å; I281-W297 WeakPolarHBondContact CA-O 3.44Å; G282-W297 PolarHBondContact N-O 3.35Å; G282-W297 PolarHBondContact O-N 3.45Å; G282-W297 VanDerWaalsContact O-N 3.11Å; A284-W297 HydrophobicContact CB-CH2 4.23Å; A284-W297 HydrophobicContact CB-CZ3 3.86Å; W297-V327 HydrophobicContact CZ3-CG1 4.23Å
298	S	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.1	165.7	-65.7	0	0	0	0	108.4	I135 L136 S144 T280 L308	I135-S298 WeakPolarHBondContact CA-O 3.44Å; L136-S298 PolarHBondContact N-O 3.1Å; L136-S298 PolarHBondContact O-N 2.97Å; S144-S298 VanDerWaalsContact CB-OG 3.27Å; S144-S298 WeakPolarHBondContact CB-OG 3.43Å; S144-S298 PolarHBondContact OG-OG 2.9Å; T280-S298 CarbonylContact O-C 3.45Å; T280-S298 WeakPolarHBondContact O-CA 3.47Å; S298-L308 WeakPolarHBondContact OG-CD2 3.14Å
299	I	99	Very high	98.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.7	177	-58.2	177.3	0	0	0	108.7	Y121 Y125 V129 E134 I135 W275 T280	Y121-I299 HydrophobicContact CD1-CD1 3.9Å; Y121-I299 HydrophobicContact CD2-CD1 3.26Å; Y121-I299 HydrophobicContact CE1-CD1 4.31Å; Y121-I299 HydrophobicContact CE2-CD1 3.75Å; Y121-I299 HydrophobicContact CG-CD1 3.35Å; Y125-I299 HydrophobicContact CE2-CG2 4.11Å; V129-I299 HydrophobicContact CG1-CG2 3.93Å; E134-I299 WeakPolarHBondContact O-CA 3.28Å; I135-I299 HydrophobicContact CG1-CG1 4.31Å; W275-I299 HydrophobicContact CH2-CG2 4.09Å; W275-I299 HydrophobicContact CZ3-CG2 4.27Å; T280-I299 PolarHBondContact N-O 3.48Å; T280-I299 PolarHBondContact O-N 3.45Å
300	G	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.			trans	176.3	-177.6	-179.7	0	0	0	0	0	111.3	E134 I305	E134-G300 WeakPolarHBondContact CA-O 3.32Å; E134-G300 WeakPolarHBondContact CB-O 3.39Å; E134-G300 WeakPolarHBondContact CG-O 3.46Å; E134-G300 PolarHBondContact O-N 2.82Å; E134-G300 VanDerWaalsContact O-N 3.13Å; G300-I305 WeakPolarHBondContact O-CG1 3.26Å
301	P	98.9	Very high	98.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.019	19%	0.189	C	C	.	.			trans	-67.3	147.5	-176.5	32.2	-39.6	0	0	0	111	W275 T278 H303 L304 I305	W275-P301 VanDerWaalsContact O-CD 3.25Å; W275-P301 WeakPolarHBondContact O-CD 3.34Å; T278-P301 WeakPolarHBondContact O-CD 3.45Å; P301-H303 PolarHBondContact O-N 3.46Å; P301-H303 VanDerWaalsContact O-N 3.09Å; P301-L304 HydrophobicContact CG-CB 4.13Å; P301-L304 HydrophobicContact CG-CD1 3.69Å; P301-L304 HydrophobicContact CG-CG 3.77Å; P301-L304 PolarHBondContact O-N 2.89Å; P301-I305 PolarHBondContact O-N 3.34Å
302	E	98.8	Very high	98.8	Very high	90 Å²	90	33.6 Å²	33.6	42%	0.421	18%	0.177	S	C	.	.	H	α-helix	trans	-50	-40.5	-178	177.6	174.2	-165	0	0	112.7	K133 L304 I305 K306	K133-E302 HydrophobicContact CB-CB 4.12Å; K133-E302 HydrophobicContact CB-CG 3.99Å; K133-E302 WeakPolarHBondContact CD-OE2 3.43Å; K133-E302 VanDerWaalsContact CE-OE1 3.28Å; K133-E302 WeakPolarHBondContact CE-OE1 3.29Å; K133-E302 HydrophobicContact CG-CG 4.41Å; K133-E302 IonicContact NZ-OE1 2.8Å; K133-E302 PolarHBondContact NZ-OE1 3.11Å; K133-E302 VanDerWaalsContact NZ-OE1 3.07Å; K133-E302 IonicContact NZ-OE2 2.67Å; K133-E302 PolarHBondContact NZ-OE2 3.32Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-I305 PolarHBondContact O-N 3.44Å; E302-K306 WeakPolarHBondContact O-CB 3.47Å; E302-K306 WeakPolarHBondContact O-CG 3.46Å; E302-K306 PolarHBondContact O-N 3.33Å
303	H	98.9	Very high	98.8	Very high	86 Å²	86	34.4 Å²	34.4	40%	0.398	16%	0.163	S	C	.	.	H	α-helix	trans	-67.8	-18	-177.5	77.8	-92.2	0	0	0	113.6	D276 P301 K306 H307	D276-H303 PolarHBondContact O-CE1 2.83Å; D276-H303 PolarHBondContact O-NE2 2.9Å; D276-H303 VanDerWaalsContact O-NE2 3.12Å; P301-H303 PolarHBondContact O-N 3.46Å; P301-H303 VanDerWaalsContact O-N 3.09Å; H303-K306 WeakPolarHBondContact O-CE 3.4Å; H303-H307 PolarHBondContact O-CD2 3.03Å; H303-H307 PolarHBondContact O-NE2 2.97Å; H303-H307 VanDerWaalsContact O-NE2 3.16Å
304	L	98.9	Very high	98.8	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-96.1	-46	170.5	-60.1	-178.8	0	0	0	111.1	L152 L248 I279 P301 E302 K306 H307 L308	L152-L304 HydrophobicContact CD2-CD2 4.26Å; L248-L304 HydrophobicContact CD2-CD1 4.03Å; L248-L304 HydrophobicContact CD2-CD2 3.94Å; I279-L304 HydrophobicContact CD1-CB 3.69Å; I279-L304 HydrophobicContact CD1-CD1 4.24Å; I279-L304 HydrophobicContact CG1-CB 4.4Å; I279-L304 HydrophobicContact CG1-CD1 4.42Å; P301-L304 HydrophobicContact CG-CB 4.13Å; P301-L304 HydrophobicContact CG-CD1 3.69Å; P301-L304 HydrophobicContact CG-CG 3.77Å; P301-L304 PolarHBondContact O-N 2.89Å; E302-L304 PolarHBondContact O-N 2.91Å; L304-K306 VanDerWaalsContact C-N 3.25Å; L304-K306 PolarHBondContact O-N 3.17Å; L304-H307 WeakPolarHBondContact O-CB 3.35Å; L304-H307 PolarHBondContact O-N 3.48Å; L304-L308 WeakPolarHBondContact O-CD1 3.45Å
305	I	98.9	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-34.7	-176.7	-70.2	-68.8	0	0	0	112.5	K133 L136 I279 G300 P301 E302 H307 L308 Q309	K133-I305 WeakPolarHBondContact O-CB 3.49Å; K133-I305 VanDerWaalsContact O-CG2 3.3Å; K133-I305 WeakPolarHBondContact O-CG2 3.48Å; L136-I305 HydrophobicContact CB-CG2 4.32Å; I279-I305 HydrophobicContact CD1-CD1 3.84Å; I279-I305 HydrophobicContact CD1-CG1 4.26Å; G300-I305 WeakPolarHBondContact O-CG1 3.26Å; P301-I305 PolarHBondContact O-N 3.34Å; E302-I305 PolarHBondContact O-N 3.44Å; I305-H307 PolarHBondContact O-N 2.89Å; I305-H307 VanDerWaalsContact O-N 3.15Å; I305-L308 HydrophobicContact CD1-CD2 4.3Å; I305-L308 WeakPolarHBondContact O-CB 3.13Å; I305-L308 PolarHBondContact O-N 2.98Å; I305-L308 VanDerWaalsContact O-N 3.11Å; I305-Q309 HydrophobicContact CG2-CG 4.13Å; I305-Q309 WeakPolarHBondContact O-CG 3.13Å; I305-Q309 PolarHBondContact O-N 3.38Å
306	K	98.9	Very high	98.7	Very high	102 Å²	102	41.9 Å²	41.9	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-56.5	-29.9	176.6	70.5	-176.8	-175.3	-176.1	0	113.6	E302 H303 L304 T310	E302-K306 WeakPolarHBondContact O-CB 3.47Å; E302-K306 WeakPolarHBondContact O-CG 3.46Å; E302-K306 PolarHBondContact O-N 3.33Å; H303-K306 WeakPolarHBondContact O-CE 3.4Å; L304-K306 VanDerWaalsContact C-N 3.25Å; L304-K306 PolarHBondContact O-N 3.17Å; K306-T310 PolarHBondContact O-N 3.21Å; K306-T310 VanDerWaalsContact O-N 3.14Å; K306-T310 PolarHBondContact O-OG1 3.49Å
307	H	98.9	Very high	98.7	Very high	73 Å²	73	48.5 Å²	48.5	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-74.5	-41.4	178.6	-61.1	-67	0	0	0	111.1	G151 L152 H303 L304 I305 Q309 T310 V311	G151-H307 WeakPolarHBondContact O-CB 3.48Å; L152-H307 HydrophobicContact CD2-CB 3.85Å; L152-H307 HydrophobicContact CG-CB 4.49Å; H303-H307 PolarHBondContact O-CD2 3.03Å; H303-H307 PolarHBondContact O-NE2 2.97Å; H303-H307 VanDerWaalsContact O-NE2 3.16Å; L304-H307 WeakPolarHBondContact O-CB 3.35Å; L304-H307 PolarHBondContact O-N 3.48Å; I305-H307 PolarHBondContact O-N 2.89Å; I305-H307 VanDerWaalsContact O-N 3.15Å; H307-Q309 VanDerWaalsContact C-N 3.32Å; H307-Q309 PolarHBondContact O-N 2.95Å; H307-T310 WeakPolarHBondContact O-CB 3.24Å; H307-T310 PolarHBondContact O-N 2.88Å; H307-T310 VanDerWaalsContact O-N 3.16Å; H307-V311 PolarHBondContact O-N 2.91Å
308	L	98.9	Very high	98.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-39.8	172.8	-72.4	66	0	0	0	111.4	L136 T148 L152 I279 S298 L304 I305 T310 V311 M312	L136-L308 HydrophobicContact CD2-CB 3.48Å; L136-L308 VanDerWaalsContact CD2-CB 3.48Å; L136-L308 HydrophobicContact CD2-CD2 4.41Å; T148-L308 WeakPolarHBondContact OG1-CD2 3.36Å; L152-L308 HydrophobicContact CD1-CD1 3.78Å; L152-L308 HydrophobicContact CG-CD1 4.15Å; I279-L308 HydrophobicContact CD1-CD1 4.45Å; I279-L308 HydrophobicContact CG2-CD2 4.19Å; S298-L308 WeakPolarHBondContact OG-CD2 3.14Å; L304-L308 WeakPolarHBondContact O-CD1 3.45Å; I305-L308 HydrophobicContact CD1-CD2 4.3Å; I305-L308 WeakPolarHBondContact O-CB 3.13Å; I305-L308 PolarHBondContact O-N 2.98Å; I305-L308 VanDerWaalsContact O-N 3.11Å; L308-T310 VanDerWaalsContact C-N 3.27Å; L308-T310 PolarHBondContact O-N 3.07Å; L308-V311 PolarHBondContact O-N 3.3Å; L308-M312 PolarHBondContact O-N 3.37Å
309	Q	98.9	Very high	98.7	Very high	28 Å²	28	49.5 Å²	49.5	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-39.4	174.6	-73.6	175.3	-5.2	0	0	111.6	F108 L136 I305 H307 V311 M312 Q313	F108-Q309 HydrophobicContact CB-CG 4.36Å; F108-Q309 HydrophobicContact CD1-CB 3.93Å; F108-Q309 HydrophobicContact CD1-CG 3.83Å; F108-Q309 HydrophobicContact CD2-CB 4.41Å; F108-Q309 HydrophobicContact CD2-CG 4Å; F108-Q309 HydrophobicContact CE1-CB 3.67Å; F108-Q309 HydrophobicContact CE1-CG 4.08Å; F108-Q309 WeakPolarHBondContact CE1-O 3.38Å; F108-Q309 HydrophobicContact CE2-CB 4.18Å; F108-Q309 HydrophobicContact CE2-CG 4.24Å; F108-Q309 HydrophobicContact CG-CB 4.31Å; F108-Q309 HydrophobicContact CG-CG 3.8Å; F108-Q309 HydrophobicContact CZ-CB 3.81Å; F108-Q309 HydrophobicContact CZ-CG 4.29Å; L136-Q309 HydrophobicContact CD1-CG 4.11Å; L136-Q309 HydrophobicContact CD2-CG 4.49Å; I305-Q309 HydrophobicContact CG2-CG 4.13Å; I305-Q309 WeakPolarHBondContact O-CG 3.13Å; I305-Q309 PolarHBondContact O-N 3.38Å; H307-Q309 VanDerWaalsContact C-N 3.32Å; H307-Q309 PolarHBondContact O-N 2.95Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 2.85Å; Q309-M312 PolarHBondContact O-N 3.28Å; Q309-Q313 WeakPolarHBondContact O-CG 3.17Å; Q309-Q313 PolarHBondContact O-N 2.82Å
310	T	98.9	Very high	98.7	Very high	73 Å²	73	52.6 Å²	52.6	45%	0.448	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-36.6	176.4	-58.1	0	0	0	0	112.3	K306 H307 L308 Q313 N314	K306-T310 PolarHBondContact O-N 3.21Å; K306-T310 VanDerWaalsContact O-N 3.14Å; K306-T310 PolarHBondContact O-OG1 3.49Å; H307-T310 WeakPolarHBondContact O-CB 3.24Å; H307-T310 PolarHBondContact O-N 2.88Å; H307-T310 VanDerWaalsContact O-N 3.16Å; L308-T310 VanDerWaalsContact C-N 3.27Å; L308-T310 PolarHBondContact O-N 3.07Å; T310-Q313 VanDerWaalsContact O-CG 3.32Å; T310-Q313 WeakPolarHBondContact O-CG 3.44Å; T310-N314 PolarHBondContact O-ND2 3.22Å
311	V	98.9	Very high	98.7	Very high	21 Å²	21	53 Å²	53	13%	0.127	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-48.7	171.9	178.3	0	0	0	0	110.6	F146 Q150 H307 L308 Q309 Q313 N314 T315	F146-V311 HydrophobicContact CD1-CG1 4.45Å; F146-V311 HydrophobicContact CE1-CG1 4.25Å; Q150-V311 HydrophobicContact CB-CG1 4.06Å; Q150-V311 HydrophobicContact CB-CG2 3.96Å; H307-V311 PolarHBondContact O-N 2.91Å; L308-V311 PolarHBondContact O-N 3.3Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 2.85Å; V311-Q313 PolarHBondContact O-N 2.71Å; V311-N314 PolarHBondContact O-N 2.77Å; V311-N314 VanDerWaalsContact O-N 3.16Å; V311-T315 HydrophobicContact CG1-CG2 3.97Å; V311-T315 WeakPolarHBondContact O-CB 3.36Å; V311-T315 VanDerWaalsContact O-CG2 3.32Å; V311-T315 WeakPolarHBondContact O-CG2 3.3Å; V311-T315 PolarHBondContact O-N 3.03Å; V311-T315 VanDerWaalsContact O-N 3.12Å; V311-T315 PolarHBondContact O-OG1 3.17Å
312	M	98.6	Very high	98.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-43.9	-176.6	-176	63	-164.1	0	0	112.1	L136 L308 Q309 N314 T315 L316 Y317	L136-M312 HydrophobicContact CD1-CB 4.23Å; L136-M312 HydrophobicContact CD1-CG 4.18Å; L136-M312 HydrophobicContact CD2-CB 4.25Å; L308-M312 PolarHBondContact O-N 3.37Å; Q309-M312 PolarHBondContact O-N 3.28Å; M312-N314 PolarHBondContact O-N 3.11Å; M312-T315 WeakPolarHBondContact CA-OG1 3.44Å; M312-T315 PolarHBondContact O-N 3.1Å; M312-T315 PolarHBondContact O-OG1 2.82Å; M312-L316 HydrophobicContact CE-CB 3.63Å; M312-L316 PolarHBondContact O-N 3.26Å; M312-L316 HydrophobicContact SD-CB 4.17Å; M312-Y317 WeakPolarHBondContact O-CA 3.29Å; M312-Y317 PolarHBondContact O-N 2.79Å
313	Q	98.5	Very high	98.7	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-24.2	-179.7	70.2	-174.8	21.5	0	0	113.7	F108 Q309 T310 V311	F108-Q313 HydrophobicContact CE1-CB 4.02Å; F108-Q313 HydrophobicContact CZ-CB 4.41Å; Q309-Q313 WeakPolarHBondContact O-CG 3.17Å; Q309-Q313 PolarHBondContact O-N 2.82Å; T310-Q313 VanDerWaalsContact O-CG 3.32Å; T310-Q313 WeakPolarHBondContact O-CG 3.44Å; V311-Q313 PolarHBondContact O-N 2.71Å
314	N	98.8	Very high	98.7	Very high	125 Å²	125	47.3 Å²	47.3	67%	0.668	24%	0.244	S	C	*	.	H	α-helix	trans	-104.9	3.1	-177.9	-71.5	-65.2	0	0	0	113.7	T310 V311 M312	T310-N314 PolarHBondContact O-ND2 3.22Å; V311-N314 PolarHBondContact O-N 2.77Å; V311-N314 VanDerWaalsContact O-N 3.16Å; M312-N314 PolarHBondContact O-N 3.11Å
315	T	98.1	Very high	98.7	Very high	69 Å²	69	48.2 Å²	48.2	42%	0.423	25%	0.248	S	C	.	.	H	α-helix	trans	-114.6	-70.4	178.7	48.6	0	0	0	0	110.5	F146 V311 M312	F146-T315 HydrophobicContact CE1-CG2 4.21Å; V311-T315 HydrophobicContact CG1-CG2 3.97Å; V311-T315 WeakPolarHBondContact O-CB 3.36Å; V311-T315 VanDerWaalsContact O-CG2 3.32Å; V311-T315 WeakPolarHBondContact O-CG2 3.3Å; V311-T315 PolarHBondContact O-N 3.03Å; V311-T315 VanDerWaalsContact O-N 3.12Å; V311-T315 PolarHBondContact O-OG1 3.17Å; M312-T315 WeakPolarHBondContact CA-OG1 3.44Å; M312-T315 PolarHBondContact O-N 3.1Å; M312-T315 PolarHBondContact O-OG1 2.82Å
316	L	97.2	Very high	98.7	Very high	105 Å²	105	48.2 Å²	48.2	55%	0.55	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-13.7	-175.8	-62.2	176.8	0	0	0	113.2	V139 M312 T318	V139-L316 HydrophobicContact CB-CD1 4.05Å; V139-L316 HydrophobicContact CG2-CD1 3.52Å; M312-L316 HydrophobicContact CE-CB 3.63Å; M312-L316 PolarHBondContact O-N 3.26Å; M312-L316 HydrophobicContact SD-CB 4.17Å; L316-T318 PolarHBondContact O-N 3.45Å
317	Y	98.3	Very high	98.7	Very high	138 Å²	138	43.4 Å²	43.4	54%	0.541	23%	0.227	S	C	.	.			trans	64.6	-52.7	-179.6	-178.3	-101.3	0	0	0	115.5	G107 M312	G107-Y317 CarbonylContact C-O 3.59Å; G107-Y317 WeakPolarHBondContact CA-O 3.43Å; M312-Y317 WeakPolarHBondContact O-CA 3.29Å; M312-Y317 PolarHBondContact O-N 2.79Å
318	T	98.6	Very high	98.7	Very high	20 Å²	20	39.9 Å²	39.9	12%	0.123	21%	0.211	C	C	.	.	S	Bend	trans	-148.5	162	178.3	-165.8	0	0	0	0	112	Y104 R106 L316	Y104-T318 HydrophobicContact CD1-CG2 3.75Å; Y104-T318 HydrophobicContact CE1-CG2 4.17Å; R106-T318 PolarHBondContact O-OG1 2.86Å; L316-T318 PolarHBondContact O-N 3.45Å
319	C	98.8	Very high	98.6	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	23%	0.231	C	C	.	.			trans	-98.4	163.2	175.6	-65.1	0	0	0	0	111.4	V137 L295 T321 Q324	V137-C319 HydrophobicContact CG1-CB 4.38Å; L295-C319 HydrophobicContact CD2-CB 3.81Å; C319-T321 PolarHBondContact O-N 2.87Å; C319-Q324 VanDerWaalsContact C-NE2 3.33Å; C319-Q324 HydrophobicContact CB-CG 4.33Å; C319-Q324 PolarHBondContact O-NE2 3.21Å
320	P	98.7	Very high	98.6	Very high	66 Å²	66	42.8 Å²	42.8	43%	0.429	23%	0.225	S	C	.	.			trans	-59.9	120.5	-179.9	-24.4	34.5	0	0	0	112.7	L323 Q324	P320-L323 HydrophobicContact CB-CB 4.44Å; P320-L323 HydrophobicContact CB-CD1 3.91Å; P320-L323 HydrophobicContact CB-CG 4.21Å; P320-L323 HydrophobicContact CG-CD1 4.11Å; P320-Q324 WeakPolarHBondContact O-CG 3.24Å; P320-Q324 PolarHBondContact O-N 3.05Å; P320-Q324 PolarHBondContact O-NE2 3.37Å
321	T	98.9	Very high	98.6	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-48.3	-177.6	-54.7	0	0	0	0	114.7	M101 Q103 T105 C319 L323 Q324 E325	M101-T321 VanDerWaalsContact O-CB 3.23Å; M101-T321 WeakPolarHBondContact O-CB 3.25Å; M101-T321 WeakPolarHBondContact O-CG2 3.48Å; M101-T321 HydrophobicContact SD-CG2 4.12Å; Q103-T321 WeakPolarHBondContact O-CB 3.45Å; Q103-T321 PolarHBondContact O-OG1 2.94Å; T105-T321 WeakPolarHBondContact CB-OG1 3.29Å; T105-T321 HydrophobicContact CG2-CG2 4.3Å; T105-T321 VanDerWaalsContact CG2-OG1 3.3Å; T105-T321 WeakPolarHBondContact CG2-OG1 3.18Å; T105-T321 PolarHBondContact N-OG1 2.74Å; C319-T321 PolarHBondContact O-N 2.87Å; T321-L323 VanDerWaalsContact C-N 3.35Å; T321-L323 PolarHBondContact O-N 2.55Å; T321-Q324 PolarHBondContact O-N 2.79Å; T321-E325 PolarHBondContact O-N 3.49Å; T321-E325 VanDerWaalsContact O-N 3.08Å
322	P	98.8	Very high	98.6	Very high	26 Å²	26	40.4 Å²	40.4	17%	0.169	21%	0.208	C	C	.	.	H	α-helix	trans	-70.8	-32.5	-172.2	27.1	-31.6	0	0	0	112.4	L92 A95 M101 A326	L92-P322 HydrophobicContact CD1-CB 4.13Å; A95-P322 HydrophobicContact CB-CB 3.88Å; M101-P322 VanDerWaalsContact O-CD 3.22Å; M101-P322 WeakPolarHBondContact O-CD 3.42Å; P322-A326 PolarHBondContact O-N 2.97Å; P322-A326 VanDerWaalsContact O-N 3.09Å
323	L	98.8	Very high	98.6	Very high	32 Å²	32	43.4 Å²	43.4	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-41.9	173.3	-62.4	177.8	0	0	0	111	L92 W293 L295 P320 T321 A326 V327	L92-L323 HydrophobicContact CD1-CD2 3.72Å; L92-L323 HydrophobicContact CD1-CG 4.5Å; L92-L323 HydrophobicContact CD2-CD2 3.71Å; L92-L323 HydrophobicContact CG-CD2 4.36Å; W293-L323 HydrophobicContact CB-CD2 4.41Å; W293-L323 HydrophobicContact CD2-CD2 3.89Å; W293-L323 HydrophobicContact CE3-CD2 4.23Å; W293-L323 HydrophobicContact CG-CD2 3.98Å; W293-L323 WeakPolarHBondContact O-CD1 3.35Å; L295-L323 VanDerWaalsContact CD1-C 3.41Å; L295-L323 HydrophobicContact CD1-CB 3.51Å; L295-L323 HydrophobicContact CG-CB 4.28Å; P320-L323 HydrophobicContact CB-CB 4.44Å; P320-L323 HydrophobicContact CB-CD1 3.91Å; P320-L323 HydrophobicContact CB-CG 4.21Å; P320-L323 HydrophobicContact CG-CD1 4.11Å; T321-L323 VanDerWaalsContact C-N 3.35Å; T321-L323 PolarHBondContact O-N 2.55Å; L323-A326 PolarHBondContact O-N 2.7Å; L323-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 PolarHBondContact O-N 3.27Å
324	Q	98.9	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-40.3	-179.8	-70.8	178	86.9	0	0	112	H110 L113 V137 L295 C319 P320 T321 V327 A328	H110-Q324 HydrophobicContact CB-CB 3.59Å; H110-Q324 HydrophobicContact CB-CG 4.27Å; L113-Q324 HydrophobicContact CB-CB 4.3Å; L113-Q324 HydrophobicContact CD2-CB 3.69Å; L113-Q324 HydrophobicContact CD2-CG 3.66Å; V137-Q324 HydrophobicContact CG1-CG 4.27Å; L295-Q324 HydrophobicContact CD1-CB 4.37Å; L295-Q324 HydrophobicContact CD1-CG 3.82Å; L295-Q324 HydrophobicContact CD2-CG 3.76Å; L295-Q324 HydrophobicContact CG-CG 4.49Å; C319-Q324 VanDerWaalsContact C-NE2 3.33Å; C319-Q324 HydrophobicContact CB-CG 4.33Å; C319-Q324 PolarHBondContact O-NE2 3.21Å; P320-Q324 WeakPolarHBondContact O-CG 3.24Å; P320-Q324 PolarHBondContact O-N 3.05Å; P320-Q324 PolarHBondContact O-NE2 3.37Å; T321-Q324 PolarHBondContact O-N 2.79Å; Q324-V327 PolarHBondContact O-N 3.43Å; Q324-A328 WeakPolarHBondContact O-CB 3.36Å; Q324-A328 PolarHBondContact O-N 3.46Å
325	E	98.8	Very high	98.6	Very high	32 Å²	32	37.1 Å²	37.1	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174.3	178.3	58.1	-160	0	0	111.2	A95 M101 H110 S112 T321 V327 A328 Q329	A95-E325 HydrophobicContact CB-CB 4.34Å; A95-E325 HydrophobicContact CB-CG 4.32Å; M101-E325 HydrophobicContact SD-CB 4.03Å; M101-E325 HydrophobicContact SD-CG 4.01Å; H110-E325 IonicContact CD2-OE2 3.3Å; H110-E325 IonicContact NE2-OE2 3.66Å; H110-E325 PolarHBondContact NE2-OE2 3.34Å; H110-E325 VanDerWaalsContact NE2-OE2 3.12Å; S112-E325 VanDerWaalsContact CB-OE2 3.23Å; S112-E325 WeakPolarHBondContact CB-OE2 3.49Å; S112-E325 PolarHBondContact OG-OE2 3.38Å; T321-E325 PolarHBondContact O-N 3.49Å; T321-E325 VanDerWaalsContact O-N 3.08Å; E325-V327 PolarHBondContact O-N 2.79Å; E325-A328 WeakPolarHBondContact O-CB 3.33Å; E325-A328 PolarHBondContact O-N 3.01Å; E325-Q329 WeakPolarHBondContact O-CG 3.31Å; E325-Q329 PolarHBondContact O-N 3.22Å; E325-Q329 VanDerWaalsContact O-N 3.09Å; E325-Q329 PolarHBondContact OE1-NE2 3.07Å
326	A	98.8	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-44.5	177.9	0	0	0	0	0	112.8	A91 L92 W293 P322 L323 A328 Q329 G330	A91-A326 HydrophobicContact CB-CB 3.97Å; L92-A326 HydrophobicContact CB-CB 3.85Å; W293-A326 HydrophobicContact CH2-CB 3.67Å; W293-A326 HydrophobicContact CZ3-CB 3.62Å; P322-A326 PolarHBondContact O-N 2.97Å; P322-A326 VanDerWaalsContact O-N 3.09Å; L323-A326 PolarHBondContact O-N 2.7Å; A326-A328 VanDerWaalsContact C-N 3.34Å; A326-A328 PolarHBondContact O-N 3.46Å; A326-Q329 PolarHBondContact O-N 3.35Å; A326-G330 PolarHBondContact O-N 2.81Å; A326-G330 VanDerWaalsContact O-N 3.1Å
327	V	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-39.3	175.2	174.5	0	0	0	0	111.2	L113 A284 F288 W293 L295 W297 L323 Q324 E325 Q329 G330 L331	L113-V327 HydrophobicContact CD1-CB 4.17Å; L113-V327 HydrophobicContact CD1-CG1 3.69Å; A284-V327 HydrophobicContact CB-CG1 3.89Å; A284-V327 HydrophobicContact CB-CG2 3.71Å; F288-V327 HydrophobicContact CD2-CG1 4.48Å; F288-V327 HydrophobicContact CE2-CG1 4.18Å; W293-V327 HydrophobicContact CE3-CG2 3.72Å; W293-V327 HydrophobicContact CZ3-CG2 3.83Å; L295-V327 HydrophobicContact CD1-CG2 3.85Å; W297-V327 HydrophobicContact CZ3-CG1 4.23Å; L323-V327 WeakPolarHBondContact O-CG2 3.35Å; L323-V327 PolarHBondContact O-N 3.27Å; Q324-V327 PolarHBondContact O-N 3.43Å; E325-V327 PolarHBondContact O-N 2.79Å; V327-Q329 VanDerWaalsContact C-N 3.34Å; V327-Q329 PolarHBondContact O-N 3.11Å; V327-G330 PolarHBondContact O-N 2.8Å; V327-L331 HydrophobicContact CG1-CD1 3.95Å; V327-L331 HydrophobicContact CG1-CG 4.24Å; V327-L331 WeakPolarHBondContact O-CG 3.37Å; V327-L331 PolarHBondContact O-N 2.93Å
328	A	98.9	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-46.2	177.1	0	0	0	0	0	111.5	L113 A116 Q324 E325 A326 L331 L332	L113-A328 HydrophobicContact CB-CB 4.1Å; L113-A328 HydrophobicContact CD1-CB 4.35Å; A116-A328 HydrophobicContact CB-CB 4.31Å; Q324-A328 WeakPolarHBondContact O-CB 3.36Å; Q324-A328 PolarHBondContact O-N 3.46Å; E325-A328 WeakPolarHBondContact O-CB 3.33Å; E325-A328 PolarHBondContact O-N 3.01Å; A326-A328 VanDerWaalsContact C-N 3.34Å; A326-A328 PolarHBondContact O-N 3.46Å; A328-L331 PolarHBondContact O-N 2.99Å; A328-L332 WeakPolarHBondContact O-CB 3.33Å; A328-L332 VanDerWaalsContact O-CG 3.28Å; A328-L332 WeakPolarHBondContact O-CG 3.48Å; A328-L332 PolarHBondContact O-N 3.3Å
329	Q	98.8	Very high	98.4	Very high	89 Å²	89	37.3 Å²	37.3	42%	0.416	21%	0.205	S	C	.	.	H	α-helix	trans	-63.4	-43.2	177.6	-62.4	-61	-22.5	0	0	111.8	A91 E325 A326 V327 L331 L332 L333	A91-Q329 HydrophobicContact CB-CB 4.12Å; E325-Q329 WeakPolarHBondContact O-CG 3.31Å; E325-Q329 PolarHBondContact O-N 3.22Å; E325-Q329 VanDerWaalsContact O-N 3.09Å; E325-Q329 PolarHBondContact OE1-NE2 3.07Å; A326-Q329 PolarHBondContact O-N 3.35Å; V327-Q329 VanDerWaalsContact C-N 3.34Å; V327-Q329 PolarHBondContact O-N 3.11Å; Q329-L331 PolarHBondContact O-N 3.41Å; Q329-L332 PolarHBondContact O-N 3.26Å; Q329-L333 WeakPolarHBondContact O-CB 3.23Å; Q329-L333 PolarHBondContact O-N 3.32Å
330	G	98.7	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-44.1	175.4	0	0	0	0	0	112.9	F288 A326 V327 N334	F288-G330 VanDerWaalsContact CZ-C 3.46Å; A326-G330 PolarHBondContact O-N 2.81Å; A326-G330 VanDerWaalsContact O-N 3.1Å; V327-G330 PolarHBondContact O-N 2.8Å; G330-N334 PolarHBondContact O-N 3.23Å; G330-N334 VanDerWaalsContact O-N 3.11Å; G330-N334 PolarHBondContact O-ND2 3.21Å
331	L	98.8	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-46.2	176.4	-73.5	170.3	0	0	0	111.8	L113 A116 L117 V120 F288 V327 A328 Q329 L333 N334 Y335 F345	L113-L331 HydrophobicContact CD1-CD1 3.68Å; A116-L331 HydrophobicContact CB-CB 3.97Å; A116-L331 HydrophobicContact CB-CD1 4.26Å; L117-L331 HydrophobicContact CD2-CD1 3.54Å; L117-L331 HydrophobicContact CG-CD1 3.89Å; V120-L331 HydrophobicContact CG2-CB 4.31Å; V120-L331 HydrophobicContact CG2-CD2 4.43Å; F288-L331 HydrophobicContact CE2-CD2 3.86Å; F288-L331 HydrophobicContact CE2-CG 3.89Å; F288-L331 HydrophobicContact CZ-CD2 3.9Å; F288-L331 HydrophobicContact CZ-CG 4.04Å; V327-L331 HydrophobicContact CG1-CD1 3.95Å; V327-L331 HydrophobicContact CG1-CG 4.24Å; V327-L331 WeakPolarHBondContact O-CG 3.37Å; V327-L331 PolarHBondContact O-N 2.93Å; A328-L331 PolarHBondContact O-N 2.99Å; Q329-L331 PolarHBondContact O-N 3.41Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 2.69Å; L331-N334 PolarHBondContact O-N 2.88Å; L331-Y335 VanDerWaalsContact O-CB 3.28Å; L331-Y335 WeakPolarHBondContact O-CB 3.4Å; L331-Y335 PolarHBondContact O-N 2.79Å; L331-F345 HydrophobicContact CD2-CE1 4.34Å; L331-F345 HydrophobicContact CD2-CZ 3.93Å
332	L	98.7	Very high	97.9	Very high	44 Å²	44	49.5 Å²	49.5	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-36	-179.8	-71.4	174.1	0	0	0	112.7	A116 A328 Q329 K336	A116-L332 HydrophobicContact CB-CD1 4.41Å; A116-L332 HydrophobicContact CB-CD2 3.85Å; A116-L332 HydrophobicContact CB-CG 3.73Å; A328-L332 WeakPolarHBondContact O-CB 3.33Å; A328-L332 VanDerWaalsContact O-CG 3.28Å; A328-L332 WeakPolarHBondContact O-CG 3.48Å; A328-L332 PolarHBondContact O-N 3.3Å; Q329-L332 PolarHBondContact O-N 3.26Å; L332-K336 WeakPolarHBondContact O-CG 3.38Å; L332-K336 PolarHBondContact O-N 3.06Å
333	L	98.5	Very high	97.9	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.346	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-53.8	173.7	177.5	60.6	0	0	0	110.4	Y87 Q329 L331 Y335 K336 L337	Y87-L333 HydrophobicContact CD1-CD2 3.86Å; Y87-L333 HydrophobicContact CD2-CD2 3.66Å; Y87-L333 HydrophobicContact CE1-CD2 4.12Å; Y87-L333 HydrophobicContact CE2-CD2 3.95Å; Y87-L333 HydrophobicContact CG-CD2 3.63Å; Q329-L333 WeakPolarHBondContact O-CB 3.23Å; Q329-L333 PolarHBondContact O-N 3.32Å; L331-L333 VanDerWaalsContact C-N 3.33Å; L331-L333 PolarHBondContact O-N 2.69Å; L333-Y335 VanDerWaalsContact C-N 3.3Å; L333-Y335 PolarHBondContact O-N 2.62Å; L333-K336 WeakPolarHBondContact O-CB 3.47Å; L333-K336 PolarHBondContact O-N 3.3Å; L333-K336 VanDerWaalsContact O-N 3.12Å; L333-L337 HydrophobicContact CD1-CD1 4.05Å; L333-L337 HydrophobicContact CD1-CG 4.49Å; L333-L337 HydrophobicContact CG-CD1 4.03Å; L333-L337 WeakPolarHBondContact O-CG 3.23Å; L333-L337 PolarHBondContact O-N 3.44Å
334	N	98.6	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-31.9	-177.8	-76.2	-84.3	0	0	0	112.7	Y87 G330 L331 K336 L337 M338 Y344 F345	Y87-N334 PolarHBondContact OH-ND2 3.06Å; G330-N334 PolarHBondContact O-N 3.23Å; G330-N334 VanDerWaalsContact O-N 3.11Å; G330-N334 PolarHBondContact O-ND2 3.21Å; L331-N334 PolarHBondContact O-N 2.88Å; N334-K336 VanDerWaalsContact C-N 3.28Å; N334-K336 PolarHBondContact O-N 3.14Å; N334-L337 CarbonylContact O-C 3.55Å; N334-L337 PolarHBondContact O-N 3.27Å; N334-M338 WeakPolarHBondContact O-CG 3.27Å; N334-M338 PolarHBondContact O-N 2.92Å; N334-Y344 VanDerWaalsContact OD1-CB 3.3Å; N334-Y344 WeakPolarHBondContact OD1-CB 3.35Å; N334-Y344 PolarHBondContact OD1-N 3.13Å; N334-F345 HydrophobicContact CB-CD1 4.01Å; N334-F345 HydrophobicContact CB-CD2 3.89Å; N334-F345 HydrophobicContact CB-CE1 3.6Å; N334-F345 HydrophobicContact CB-CE2 3.49Å; N334-F345 VanDerWaalsContact CB-CE2 3.49Å; N334-F345 HydrophobicContact CB-CG 4.14Å; N334-F345 HydrophobicContact CB-CZ 3.33Å
335	Y	98.5	Very high	97.8	Very high	78 Å²	78	48.6 Å²	48.6	31%	0.306	26%	0.259	S	S	.	.	H	α-helix	trans	-54.4	-44.5	171	177.3	-110.1	0	0	0	112.4	Q119 V120 K123 L331 L333 L337 M338	Q119-Y335 HydrophobicContact CB-CE1 4.49Å; Q119-Y335 HydrophobicContact CB-CE2 4.49Å; Q119-Y335 WeakPolarHBondContact O-CE2 3.36Å; V120-Y335 HydrophobicContact CG2-CD2 4.11Å; V120-Y335 HydrophobicContact CG2-CG 4.34Å; K123-Y335 HydrophobicContact CB-CE2 3.99Å; K123-Y335 HydrophobicContact CD-CD2 4.49Å; K123-Y335 HydrophobicContact CD-CE2 3.82Å; L331-Y335 VanDerWaalsContact O-CB 3.28Å; L331-Y335 WeakPolarHBondContact O-CB 3.4Å; L331-Y335 PolarHBondContact O-N 2.79Å; L333-Y335 VanDerWaalsContact C-N 3.3Å; L333-Y335 PolarHBondContact O-N 2.62Å; Y335-L337 VanDerWaalsContact C-N 3.3Å; Y335-L337 PolarHBondContact O-N 3.13Å; Y335-M338 HydrophobicContact CD2-SD 4.09Å; Y335-M338 PolarHBondContact O-N 3.08Å
336	K	98.3	Very high	97.7	Very high	167 Å²	167	49 Å²	49	73%	0.726	27%	0.266	S	S	*	.	H	α-helix	trans	-68.5	-30.9	177.1	-66.5	171.3	-176.6	177.8	0	112.4	L332 L333 N334	L332-K336 WeakPolarHBondContact O-CG 3.38Å; L332-K336 PolarHBondContact O-N 3.06Å; L333-K336 WeakPolarHBondContact O-CB 3.47Å; L333-K336 PolarHBondContact O-N 3.3Å; L333-K336 VanDerWaalsContact O-N 3.12Å; N334-K336 VanDerWaalsContact C-N 3.28Å; N334-K336 PolarHBondContact O-N 3.14Å
337	L	98.2	Very high	97.6	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.236	28%	0.277	C	S	.	.	H	α-helix	trans	-87.8	-7.7	-179.2	-61.7	173.8	0	0	0	113.1	L333 N334 Y335 G339 Q340 D342 C343	L333-L337 HydrophobicContact CD1-CD1 4.05Å; L333-L337 HydrophobicContact CD1-CG 4.49Å; L333-L337 HydrophobicContact CG-CD1 4.03Å; L333-L337 WeakPolarHBondContact O-CG 3.23Å; L333-L337 PolarHBondContact O-N 3.44Å; N334-L337 CarbonylContact O-C 3.55Å; N334-L337 PolarHBondContact O-N 3.27Å; Y335-L337 VanDerWaalsContact C-N 3.3Å; Y335-L337 PolarHBondContact O-N 3.13Å; L337-G339 PolarHBondContact O-N 2.76Å; L337-G339 VanDerWaalsContact O-N 3.13Å; L337-Q340 WeakPolarHBondContact O-CA 3.4Å; L337-Q340 WeakPolarHBondContact O-CB 3.33Å; L337-Q340 WeakPolarHBondContact O-CG 3.49Å; L337-Q340 PolarHBondContact O-N 2.89Å; L337-D342 HydrophobicContact CD1-CB 4.4Å; L337-C343 HydrophobicContact CB-CB 3.87Å; L337-C343 WeakPolarHBondContact O-CB 3.44Å
338	M	96.7	Very high	97.6	Very high	46 Å²	46	50.8 Å²	50.8	23%	0.227	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	122.3	-176.9	-74.1	-174.3	83	0	0	112.4	K123 V124 W257 N334 Y335 F345	K123-M338 HydrophobicContact CD-CE 4.49Å; K123-M338 HydrophobicContact CD-SD 3.86Å; V124-M338 HydrophobicContact CG2-CE 4.38Å; W257-M338 HydrophobicContact CH2-CE 4.22Å; W257-M338 HydrophobicContact CZ3-CE 4.32Å; N334-M338 WeakPolarHBondContact O-CG 3.27Å; N334-M338 PolarHBondContact O-N 2.92Å; Y335-M338 HydrophobicContact CD2-SD 4.09Å; Y335-M338 PolarHBondContact O-N 3.08Å; M338-F345 HydrophobicContact CG-CD2 4.13Å; M338-F345 HydrophobicContact CG-CE2 4.39Å
339	G	94	Very high	97.5	Very high	79 Å²	79	51.1 Å²	51.1	81%	0.814	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-1.1	-175.2	0	0	0	0	0	114.2	L337	L337-G339 PolarHBondContact O-N 2.76Å; L337-G339 VanDerWaalsContact O-N 3.13Å
340	Q	97.1	Very high	97.4	Very high	112 Å²	112	52.9 Å²	52.9	52%	0.523	29%	0.289	S	S	.	.	S	Bend	trans	-102.6	152.3	172.5	-53.6	-67.4	1.5	0	0	110.7	L337 D342 C343	L337-Q340 WeakPolarHBondContact O-CA 3.4Å; L337-Q340 WeakPolarHBondContact O-CB 3.33Å; L337-Q340 WeakPolarHBondContact O-CG 3.49Å; L337-Q340 PolarHBondContact O-N 2.89Å; Q340-D342 VanDerWaalsContact C-N 3.26Å; Q340-D342 PolarHBondContact O-N 3.01Å; Q340-C343 VanDerWaalsContact O-CB 3.27Å; Q340-C343 WeakPolarHBondContact O-CB 2.96Å; Q340-C343 PolarHBondContact O-N 2.85Å; Q340-C343 VanDerWaalsContact O-N 3.14Å
341	P	94.3	Very high	97.3	Very high	94 Å²	94	56.9 Å²	56.9	61%	0.61	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.2	179.4	-26.4	35.4	0	0	0	114.2	C343	P341-C343 PolarHBondContact O-N 2.98Å
342	D	94.9	Very high	97.2	Very high	130 Å²	130	56.9 Å²	56.9	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.2	-177.4	-61	-24.8	0	0	0	113.9	L337 Q340 Y344	L337-D342 HydrophobicContact CD1-CB 4.4Å; Q340-D342 VanDerWaalsContact C-N 3.26Å; Q340-D342 PolarHBondContact O-N 3.01Å; D342-Y344 PolarHBondContact O-N 2.94Å
343	C	98.3	Very high	97.2	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	31%	0.306	C	S	.	.			trans	-73.4	115.4	177	-173.9	0	0	0	0	110.3	L337 Q340 P341 F345 S346 S347	L337-C343 HydrophobicContact CB-CB 3.87Å; L337-C343 WeakPolarHBondContact O-CB 3.44Å; Q340-C343 VanDerWaalsContact O-CB 3.27Å; Q340-C343 WeakPolarHBondContact O-CB 2.96Å; Q340-C343 PolarHBondContact O-N 2.85Å; Q340-C343 VanDerWaalsContact O-N 3.14Å; P341-C343 PolarHBondContact O-N 2.98Å; C343-F345 PolarHBondContact O-N 2.96Å; C343-F345 VanDerWaalsContact O-N 3.14Å; C343-S346 PolarHBondContact O-N 3.45Å; C343-S346 PolarHBondContact O-OG 3.37Å; C343-S347 PolarHBondContact O-N 3.5Å
344	Y	98.4	Very high	97.2	Very high	25 Å²	25	55.9 Å²	55.9	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-23.9	179.8	-163.6	-111.9	0	0	0	113.3	P85 Y87 T287 F288 S289 N334 D342 S346 S347 L348	P85-Y344 HydrophobicContact CG-CD1 3.64Å; P85-Y344 HydrophobicContact CG-CD2 3.7Å; P85-Y344 HydrophobicContact CG-CE1 3.5Å; P85-Y344 HydrophobicContact CG-CE2 3.59Å; P85-Y344 HydrophobicContact CG-CG 3.72Å; P85-Y344 VanDerWaalsContact CG-CZ 3.47Å; Y87-Y344 WeakPolarHBondContact OH-CB 3.35Å; T287-Y344 WeakPolarHBondContact O-CD1 3.39Å; F288-Y344 HydrophobicContact CD1-CD1 4.22Å; S289-Y344 PolarHBondContact OG-OH 3.41Å; N334-Y344 VanDerWaalsContact OD1-CB 3.3Å; N334-Y344 WeakPolarHBondContact OD1-CB 3.35Å; N334-Y344 PolarHBondContact OD1-N 3.13Å; D342-Y344 PolarHBondContact O-N 2.94Å; Y344-S346 PolarHBondContact O-N 3.03Å; Y344-S347 WeakPolarHBondContact CA-OG 3.09Å; Y344-L348 HydrophobicContact CD2-CB 4.36Å; Y344-L348 HydrophobicContact CE1-CB 4.29Å; Y344-L348 HydrophobicContact CE1-CD2 3.77Å; Y344-L348 HydrophobicContact CE2-CB 4.02Å; Y344-L348 HydrophobicContact CE2-CD1 4.41Å; Y344-L348 WeakPolarHBondContact O-CB 3.27Å; Y344-L348 PolarHBondContact O-N 2.84Å
345	F	97.6	Very high	97.1	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-24.7	172	-58	-21.1	0	0	0	113.4	V120 W257 T287 F288 L331 N334 M338 C343	V120-F345 HydrophobicContact CG1-CE2 4.32Å; W257-F345 HydrophobicContact CD2-CB 3.83Å; W257-F345 HydrophobicContact CD2-CD1 4.21Å; W257-F345 HydrophobicContact CD2-CD2 4.42Å; W257-F345 AromaticContact CD2-CG 3.93Å; W257-F345 HydrophobicContact CD2-CG 3.93Å; W257-F345 HydrophobicContact CE3-CB 3.65Å; W257-F345 HydrophobicContact CE3-CD2 4.33Å; W257-F345 HydrophobicContact CE3-CG 4.05Å; W257-F345 HydrophobicContact CG-CB 4.22Å; W257-F345 HydrophobicContact CG-CD1 4.32Å; W257-F345 HydrophobicContact CG-CG 4.4Å; W257-F345 HydrophobicContact CH2-CD2 4Å; W257-F345 HydrophobicContact CH2-CE2 4.36Å; W257-F345 HydrophobicContact CH2-CG 4.46Å; W257-F345 HydrophobicContact CZ2-CD2 4.12Å; W257-F345 HydrophobicContact CZ2-CE2 4.21Å; W257-F345 HydrophobicContact CZ2-CG 4.37Å; W257-F345 HydrophobicContact CZ3-CB 4.15Å; W257-F345 HydrophobicContact CZ3-CD2 4.12Å; W257-F345 HydrophobicContact CZ3-CG 4.31Å; T287-F345 HydrophobicContact CG2-CD1 3.95Å; T287-F345 HydrophobicContact CG2-CE1 3.55Å; F288-F345 HydrophobicContact CE1-CE1 4.09Å; F288-F345 AromaticContact CZ-CE1 3.93Å; F288-F345 HydrophobicContact CZ-CE1 3.93Å; L331-F345 HydrophobicContact CD2-CE1 4.34Å; L331-F345 HydrophobicContact CD2-CZ 3.93Å; N334-F345 HydrophobicContact CB-CD1 4.01Å; N334-F345 HydrophobicContact CB-CD2 3.89Å; N334-F345 HydrophobicContact CB-CE1 3.6Å; N334-F345 HydrophobicContact CB-CE2 3.49Å; N334-F345 VanDerWaalsContact CB-CE2 3.49Å; N334-F345 HydrophobicContact CB-CG 4.14Å; N334-F345 HydrophobicContact CB-CZ 3.33Å; M338-F345 HydrophobicContact CG-CD2 4.13Å; M338-F345 HydrophobicContact CG-CE2 4.39Å; C343-F345 PolarHBondContact O-N 2.96Å; C343-F345 VanDerWaalsContact O-N 3.14Å
346	S	96.7	Very high	97.1	Very high	42 Å²	42	53.9 Å²	53.9	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-109.6	-42.2	176	46	0	0	0	0	112.3	C343 Y344 L348 A349 E350	C343-S346 PolarHBondContact O-N 3.45Å; C343-S346 PolarHBondContact O-OG 3.37Å; Y344-S346 PolarHBondContact O-N 3.03Å; S346-L348 VanDerWaalsContact C-N 3.28Å; S346-L348 PolarHBondContact O-N 3.16Å; S346-A349 PolarHBondContact O-N 2.82Å; S346-A349 VanDerWaalsContact O-N 3.08Å; S346-E350 PolarHBondContact O-N 2.55Å
347	S	97.4	Very high	97.1	Very high	34 Å²	34	49.5 Å²	49.5	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-31.2	-172.7	77.2	0	0	0	0	113.3	C343 Y344 E350 E351	C343-S347 PolarHBondContact O-N 3.5Å; Y344-S347 WeakPolarHBondContact CA-OG 3.09Å; S347-E350 PolarHBondContact O-N 2.88Å; S347-E351 PolarHBondContact O-N 3.34Å
348	L	97.8	Very high	97.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-38.7	176.1	179.4	60.1	0	0	0	111.6	I82 L258 Y344 S346 E350 E351 L352 I439	I82-L348 HydrophobicContact CD1-CD1 4.07Å; L258-L348 HydrophobicContact CD2-CB 4.37Å; L258-L348 HydrophobicContact CD2-CD2 3.66Å; L258-L348 HydrophobicContact CD2-CG 3.8Å; Y344-L348 HydrophobicContact CD2-CB 4.36Å; Y344-L348 HydrophobicContact CE1-CB 4.29Å; Y344-L348 HydrophobicContact CE1-CD2 3.77Å; Y344-L348 HydrophobicContact CE2-CB 4.02Å; Y344-L348 HydrophobicContact CE2-CD1 4.41Å; Y344-L348 WeakPolarHBondContact O-CB 3.27Å; Y344-L348 PolarHBondContact O-N 2.84Å; S346-L348 VanDerWaalsContact C-N 3.28Å; S346-L348 PolarHBondContact O-N 3.16Å; L348-E350 VanDerWaalsContact C-N 3.32Å; L348-E351 PolarHBondContact O-N 3.36Å; L348-L352 HydrophobicContact CD1-CD1 4Å; L348-L352 HydrophobicContact CD1-CD2 4.44Å; L348-L352 HydrophobicContact CD1-CG 3.93Å; L348-L352 HydrophobicContact CG-CD1 3.92Å; L348-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CB 3.43Å; L348-L352 WeakPolarHBondContact O-CG 3.21Å; L348-L352 PolarHBondContact O-N 2.77Å; L348-I439 HydrophobicContact CD1-CD1 4.46Å
349	A	97.2	Very high	97.1	Very high	7 Å²	7	49.2 Å²	49.2	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-39.6	176.4	0	0	0	0	0	111.3	Y260 S346 L352 E353	Y260-A349 WeakPolarHBondContact CE1-O 3.49Å; S346-A349 PolarHBondContact O-N 2.82Å; S346-A349 VanDerWaalsContact O-N 3.08Å; A349-L352 PolarHBondContact O-N 2.9Å; A349-E353 WeakPolarHBondContact O-CB 3.3Å; A349-E353 PolarHBondContact O-N 2.99Å
350	E	96.3	Very high	97.3	Very high	126 Å²	126	45.7 Å²	45.7	59%	0.589	25%	0.249	S	C	*	.	H	α-helix	trans	-62.9	-44.1	175.6	-65.9	174	-177.1	0	0	112	S346 S347 L348 E353	S346-E350 PolarHBondContact O-N 2.55Å; S347-E350 PolarHBondContact O-N 2.88Å; L348-E350 VanDerWaalsContact C-N 3.32Å; E350-E353 PolarHBondContact O-N 3.25Å
351	E	96.7	Very high	97.3	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-48	174.7	-176.3	-167.9	156.3	0	0	111.7	S347 L348 E353 G354 K355	S347-E351 PolarHBondContact O-N 3.34Å; L348-E351 PolarHBondContact O-N 3.36Å; E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.4Å; E351-G354 PolarHBondContact O-N 3.04Å; E351-K355 VanDerWaalsContact OE1-CE 3.28Å; E351-K355 WeakPolarHBondContact OE1-CE 3.29Å
352	L	98.2	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-24.4	-177	-69.8	179.2	0	0	0	113	L258 Y260 L348 A349 G354 K355 R356 F438 I439	L258-L352 HydrophobicContact CD1-CD1 4.18Å; L258-L352 HydrophobicContact CD2-CD1 4.03Å; Y260-L352 HydrophobicContact CE1-CB 3.99Å; L348-L352 HydrophobicContact CD1-CD1 4Å; L348-L352 HydrophobicContact CD1-CD2 4.44Å; L348-L352 HydrophobicContact CD1-CG 3.93Å; L348-L352 HydrophobicContact CG-CD1 3.92Å; L348-L352 HydrophobicContact CG-CG 4.27Å; L348-L352 WeakPolarHBondContact O-CB 3.43Å; L348-L352 WeakPolarHBondContact O-CG 3.21Å; L348-L352 PolarHBondContact O-N 2.77Å; A349-L352 PolarHBondContact O-N 2.9Å; L352-G354 VanDerWaalsContact C-N 3.34Å; L352-G354 PolarHBondContact O-N 2.74Å; L352-K355 HydrophobicContact CD2-CD 4.12Å; L352-K355 PolarHBondContact O-N 2.89Å; L352-R356 WeakPolarHBondContact O-CB 3.46Å; L352-R356 PolarHBondContact O-N 2.97Å; L352-F438 HydrophobicContact CB-CE2 4.22Å; L352-I439 HydrophobicContact CD1-CD1 4.2Å; L352-I439 HydrophobicContact CD2-CB 3.78Å; L352-I439 HydrophobicContact CD2-CD1 4.22Å; L352-I439 HydrophobicContact CD2-CG1 3.83Å
353	E	98.1	Very high	97.3	Very high	43 Å²	43	32 Å²	32	20%	0.201	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-43.4	176.5	-169.6	159.7	-156.4	0	0	111.4	Y260 A349 E350 E351 K355 R356 D357	Y260-E353 HydrophobicContact CD1-CB 3.68Å; Y260-E353 HydrophobicContact CD1-CG 4.03Å; Y260-E353 HydrophobicContact CE1-CB 4.08Å; Y260-E353 HydrophobicContact CG-CG 4.46Å; A349-E353 WeakPolarHBondContact O-CB 3.3Å; A349-E353 PolarHBondContact O-N 2.99Å; E350-E353 PolarHBondContact O-N 3.25Å; E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.4Å; E353-K355 PolarHBondContact O-N 2.95Å; E353-R356 VanDerWaalsContact CG-NH2 3.29Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.17Å; E353-R356 IonicContact OE1-CZ 3.89Å; E353-R356 IonicContact OE1-NH1 2.65Å; E353-R356 IonicContact OE1-NH2 3.52Å; E353-R356 PolarHBondContact OE1-NH2 3.19Å; E353-D357 PolarHBondContact O-N 3.2Å
354	G	97.4	Very high	97.2	Very high	46 Å²	46	37.3 Å²	37.3	47%	0.474	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-41.3	175.3	0	0	0	0	0	112.5	E351 L352 D357 H358	E351-G354 PolarHBondContact O-N 3.04Å; L352-G354 VanDerWaalsContact C-N 3.34Å; L352-G354 PolarHBondContact O-N 2.74Å; G354-D357 PolarHBondContact O-N 3.3Å; G354-H358 WeakPolarHBondContact O-CB 3.35Å; G354-H358 PolarHBondContact O-N 2.87Å
355	K	98.3	Very high	96.9	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-38	177.6	-67	172.9	-173.3	-71.1	0	112.4	E351 L352 E353 L359 F438 K440 D442 L445	E351-K355 VanDerWaalsContact OE1-CE 3.28Å; E351-K355 WeakPolarHBondContact OE1-CE 3.29Å; L352-K355 HydrophobicContact CD2-CD 4.12Å; L352-K355 PolarHBondContact O-N 2.89Å; E353-K355 PolarHBondContact O-N 2.95Å; K355-L359 WeakPolarHBondContact O-CB 3.43Å; K355-L359 PolarHBondContact O-N 3.48Å; K355-F438 HydrophobicContact CB-CD2 4.3Å; K355-K440 WeakPolarHBondContact CD-O 3.39Å; K355-K440 VanDerWaalsContact CE-O 3.29Å; K355-K440 WeakPolarHBondContact CE-O 3.14Å; K355-K440 PolarHBondContact NZ-O 2.79Å; K355-D442 IonicContact NZ-OD1 3.54Å; K355-D442 PolarHBondContact NZ-OD1 3.47Å; K355-D442 IonicContact NZ-OD2 2.7Å; K355-L445 HydrophobicContact CB-CD1 3.77Å; K355-L445 HydrophobicContact CD-CD1 4.44Å; K355-L445 HydrophobicContact CG-CD1 3.88Å
356	R	98.4	Very high	96.7	Very high	22 Å²	22	41.5 Å²	41.5	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-53.6	171.7	179.6	-160	71.5	-164.8	-9	110.1	Y260 L352 E353 H358 L359 A360 P373 M379 F438	Y260-R356 VanDerWaalsContact CD2-NH1 3.3Å; L352-R356 WeakPolarHBondContact O-CB 3.46Å; L352-R356 PolarHBondContact O-N 2.97Å; E353-R356 VanDerWaalsContact CG-NH2 3.29Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.17Å; E353-R356 IonicContact OE1-CZ 3.89Å; E353-R356 IonicContact OE1-NH1 2.65Å; E353-R356 IonicContact OE1-NH2 3.52Å; E353-R356 PolarHBondContact OE1-NH2 3.19Å; R356-H358 VanDerWaalsContact C-N 3.34Å; R356-H358 PolarHBondContact O-N 2.93Å; R356-L359 PolarHBondContact O-N 3.23Å; R356-A360 WeakPolarHBondContact O-CB 2.97Å; R356-A360 PolarHBondContact O-N 2.96Å; R356-P373 HydrophobicContact CG-CG 3.81Å; R356-P373 PolarHBondContact NH1-O 3.19Å; R356-M379 HydrophobicContact CG-CE 3.83Å; R356-M379 WeakPolarHBondContact O-CE 3.37Å; R356-F438 HydrophobicContact CB-CD2 4.11Å; R356-F438 HydrophobicContact CB-CE1 4.34Å; R356-F438 HydrophobicContact CB-CE2 3.63Å; R356-F438 HydrophobicContact CB-CZ 3.75Å; R356-F438 HydrophobicContact CG-CE1 4.27Å; R356-F438 HydrophobicContact CG-CE2 4.34Å; R356-F438 HydrophobicContact CG-CZ 3.93Å
357	D	98.2	Very high	96.5	Very high	75 Å²	75	40.1 Å²	40.1	40%	0.401	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-39.7	-175.5	-68.4	-9.6	0	0	0	111.4	E353 G354 A360 A361	E353-D357 PolarHBondContact O-N 3.2Å; G354-D357 PolarHBondContact O-N 3.3Å; D357-A360 PolarHBondContact O-N 2.73Å; D357-A361 WeakPolarHBondContact O-CB 3.34Å; D357-A361 PolarHBondContact O-N 2.88Å
358	H	97.3	Very high	96.4	Very high	84 Å²	84	38.8 Å²	38.8	39%	0.389	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-49.3	175.2	-173.9	58	0	0	0	112.4	G354 R356 A360 A361 I362	G354-H358 WeakPolarHBondContact O-CB 3.35Å; G354-H358 PolarHBondContact O-N 2.87Å; R356-H358 VanDerWaalsContact C-N 3.34Å; R356-H358 PolarHBondContact O-N 2.93Å; H358-A360 PolarHBondContact O-N 3.37Å; H358-A361 PolarHBondContact O-N 2.95Å; H358-I362 VanDerWaalsContact NE2-CD1 3.32Å; H358-I362 WeakPolarHBondContact NE2-CD1 3.48Å; H358-I362 WeakPolarHBondContact O-CG1 3.48Å; H358-I362 PolarHBondContact O-N 2.81Å; H358-I362 VanDerWaalsContact O-N 3.12Å
359	L	97.5	Very high	96.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-42.5	177.3	180	62.2	0	0	0	111.4	L75 K355 R356 A361 I362 L363 M379 L436 F438	L75-L359 HydrophobicContact CD1-CD1 4.2Å; K355-L359 WeakPolarHBondContact O-CB 3.43Å; K355-L359 PolarHBondContact O-N 3.48Å; R356-L359 PolarHBondContact O-N 3.23Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 3.39Å; L359-I362 PolarHBondContact O-N 3.49Å; L359-L363 HydrophobicContact CD1-CD1 4.02Å; L359-L363 HydrophobicContact CD1-CG 4.08Å; L359-L363 HydrophobicContact CD2-CD1 4.37Å; L359-L363 HydrophobicContact CG-CD1 3.74Å; L359-L363 HydrophobicContact CG-CG 4.29Å; L359-L363 WeakPolarHBondContact O-CB 3.44Å; L359-L363 WeakPolarHBondContact O-CD1 3.39Å; L359-L363 WeakPolarHBondContact O-CG 3.25Å; L359-L363 PolarHBondContact O-N 2.93Å; L359-M379 HydrophobicContact CD2-SD 4.47Å; L359-M379 HydrophobicContact CG-SD 4.43Å; L359-L436 HydrophobicContact CD2-CB 4.14Å; L359-L436 HydrophobicContact CD2-CD1 4.5Å; L359-F438 HydrophobicContact CB-CB 4.44Å; L359-F438 HydrophobicContact CD2-CB 3.76Å; L359-F438 HydrophobicContact CD2-CD1 4.43Å
360	A	97.8	Very high	96.3	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-45.2	177.4	0	0	0	0	0	111.8	R356 D357 H358 L363 Q364 P370 M379	R356-A360 WeakPolarHBondContact O-CB 2.97Å; R356-A360 PolarHBondContact O-N 2.96Å; D357-A360 PolarHBondContact O-N 2.73Å; H358-A360 PolarHBondContact O-N 3.37Å; A360-L363 PolarHBondContact O-N 2.91Å; A360-Q364 WeakPolarHBondContact O-CG 3.47Å; A360-Q364 PolarHBondContact O-N 3.21Å; A360-P370 HydrophobicContact CB-CB 4.46Å; A360-P370 HydrophobicContact CB-CG 4.22Å; A360-M379 HydrophobicContact CB-CE 3.81Å; A360-M379 HydrophobicContact CB-SD 4.19Å
361	A	96.4	Very high	96.4	Very high	39 Å²	39	33.8 Å²	33.8	32%	0.322	19%	0.187	S	C	.	.	H	α-helix	trans	-61	-48.2	178.3	0	0	0	0	0	111.8	D357 H358 L359 L363 Q364 E365	D357-A361 WeakPolarHBondContact O-CB 3.34Å; D357-A361 PolarHBondContact O-N 2.88Å; H358-A361 PolarHBondContact O-N 2.95Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 3.39Å; A361-L363 VanDerWaalsContact C-N 3.32Å; A361-L363 PolarHBondContact O-N 3.34Å; A361-Q364 PolarHBondContact O-N 3.13Å; A361-E365 WeakPolarHBondContact O-CG 3.41Å; A361-E365 PolarHBondContact O-N 3.05Å
362	I	95	Very high	96.5	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-43.4	178.1	-70.1	170.1	0	0	0	111.4	H358 L359 E365 A366 L452	H358-I362 VanDerWaalsContact NE2-CD1 3.32Å; H358-I362 WeakPolarHBondContact NE2-CD1 3.48Å; H358-I362 WeakPolarHBondContact O-CG1 3.48Å; H358-I362 PolarHBondContact O-N 2.81Å; H358-I362 VanDerWaalsContact O-N 3.12Å; L359-I362 PolarHBondContact O-N 3.49Å; I362-E365 PolarHBondContact O-N 2.86Å; I362-A366 WeakPolarHBondContact O-CB 3.27Å; I362-A366 PolarHBondContact O-N 2.96Å; I362-L452 HydrophobicContact CG2-CB 3.86Å; I362-L452 HydrophobicContact CG2-CD1 3.53Å; I362-L452 HydrophobicContact CG2-CG 4.34Å
363	L	95.3	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-39.7	179.8	-69.6	165	0	0	0	112	L359 A360 A361 A366 G367 M368 P370 M379 V381 L436 L452	L359-L363 HydrophobicContact CD1-CD1 4.02Å; L359-L363 HydrophobicContact CD1-CG 4.08Å; L359-L363 HydrophobicContact CD2-CD1 4.37Å; L359-L363 HydrophobicContact CG-CD1 3.74Å; L359-L363 HydrophobicContact CG-CG 4.29Å; L359-L363 WeakPolarHBondContact O-CB 3.44Å; L359-L363 WeakPolarHBondContact O-CD1 3.39Å; L359-L363 WeakPolarHBondContact O-CG 3.25Å; L359-L363 PolarHBondContact O-N 2.93Å; A360-L363 PolarHBondContact O-N 2.91Å; A361-L363 VanDerWaalsContact C-N 3.32Å; A361-L363 PolarHBondContact O-N 3.34Å; L363-A366 PolarHBondContact O-N 2.93Å; L363-G367 PolarHBondContact O-N 3.06Å; L363-M368 HydrophobicContact CB-CB 4.43Å; L363-M368 HydrophobicContact CD2-SD 3.64Å; L363-M368 PolarHBondContact O-N 3.48Å; L363-P370 HydrophobicContact CB-CB 4.43Å; L363-P370 HydrophobicContact CB-CG 4.28Å; L363-P370 HydrophobicContact CD1-CB 4.14Å; L363-M379 HydrophobicContact CD1-SD 3.63Å; L363-V381 HydrophobicContact CD1-CG2 3.64Å; L363-V381 HydrophobicContact CD2-CG1 4.34Å; L363-V381 HydrophobicContact CD2-CG2 4.45Å; L363-L436 HydrophobicContact CD1-CD1 3.93Å; L363-L436 HydrophobicContact CD2-CD1 3.63Å; L363-L436 HydrophobicContact CG-CD1 4.36Å; L363-L452 HydrophobicContact CD2-CD1 3.86Å; L363-L452 HydrophobicContact CD2-CD2 4.38Å
364	Q	95	Very high	96.5	Very high	112 Å²	112	30 Å²	30	52%	0.523	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-44.5	175.1	-72.9	174.9	-2.2	0	0	111.5	A360 A361 A366 G367 P370	A360-Q364 WeakPolarHBondContact O-CG 3.47Å; A360-Q364 PolarHBondContact O-N 3.21Å; A361-Q364 PolarHBondContact O-N 3.13Å; Q364-A366 VanDerWaalsContact C-N 3.27Å; Q364-A366 PolarHBondContact O-N 2.9Å; Q364-G367 PolarHBondContact O-N 3.33Å; Q364-P370 HydrophobicContact CG-CG 3.63Å
365	E	93.5	Very high	96.6	Very high	122 Å²	122	27.9 Å²	27.9	57%	0.57	15%	0.149	S	C	*	.	H	α-helix	trans	-59.1	-39.2	174.7	-72.5	177.4	-172.2	0	0	111.8	A361 I362 G367 R456	A361-E365 WeakPolarHBondContact O-CG 3.41Å; A361-E365 PolarHBondContact O-N 3.05Å; I362-E365 PolarHBondContact O-N 2.86Å; E365-G367 PolarHBondContact O-N 2.84Å; E365-R456 VanDerWaalsContact O-CZ 3.32Å; E365-R456 PolarHBondContact O-NE 3.39Å; E365-R456 PolarHBondContact O-NH2 3.08Å
366	A	92.3	Very high	96.6	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-14.8	175.2	0	0	0	0	0	113.5	I362 L363 Q364 L452 R456	I362-A366 WeakPolarHBondContact O-CB 3.27Å; I362-A366 PolarHBondContact O-N 2.96Å; L363-A366 PolarHBondContact O-N 2.93Å; Q364-A366 VanDerWaalsContact C-N 3.27Å; Q364-A366 PolarHBondContact O-N 2.9Å; A366-L452 HydrophobicContact CB-CB 4Å; A366-L452 HydrophobicContact CB-CD2 4.06Å; A366-R456 PolarHBondContact O-NE 3.26Å
367	G	92.5	Very high	96.6	Very high	14 Å²	14	26.5 Å²	26.5	14%	0.144	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	16.7	-178.8	0	0	0	0	0	114.9	L363 Q364 E365 P385	L363-G367 PolarHBondContact O-N 3.06Å; Q364-G367 PolarHBondContact O-N 3.33Å; E365-G367 PolarHBondContact O-N 2.84Å; G367-P385 WeakPolarHBondContact O-CB 3.37Å
368	M	94.5	Very high	96.6	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.03	13%	0.127	C	C	.	.			trans	-92.4	165.4	170.4	-59.1	177.2	-171.5	0	0	110.6	L363 P370 V381 V383 L386 L452 W455	L363-M368 HydrophobicContact CB-CB 4.43Å; L363-M368 HydrophobicContact CD2-SD 3.64Å; L363-M368 PolarHBondContact O-N 3.48Å; M368-P370 WeakPolarHBondContact O-CD 3.4Å; M368-V381 HydrophobicContact CB-CG1 3.5Å; M368-V381 VanDerWaalsContact CB-CG1 3.5Å; M368-V381 HydrophobicContact CG-CG1 4.12Å; M368-V381 HydrophobicContact SD-CG1 3.74Å; M368-V383 HydrophobicContact SD-CG1 4.42Å; M368-L386 HydrophobicContact CE-CD1 3.57Å; M368-L386 HydrophobicContact CG-CD1 3.77Å; M368-L386 HydrophobicContact CG-CD2 4.1Å; M368-L386 HydrophobicContact CG-CG 4.05Å; M368-L386 HydrophobicContact SD-CD1 4.35Å; M368-L452 HydrophobicContact CE-CD2 3.68Å; M368-L452 HydrophobicContact SD-CD2 4.4Å; M368-W455 HydrophobicContact CE-CD2 4.35Å; M368-W455 HydrophobicContact CE-CE3 4.13Å; M368-W455 HydrophobicContact CE-CH2 3.43Å; M368-W455 VanDerWaalsContact CE-CH2 3.43Å; M368-W455 HydrophobicContact CE-CZ2 3.72Å; M368-W455 HydrophobicContact CE-CZ3 3.67Å
369	S	96.5	Very high	96.6	Very high	23 Å²	23	19.2 Å²	19.2	16%	0.161	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	93.2	176	-72.6	0	0	0	0	110.6	D382	S369-D382 PolarHBondContact N-O 2.96Å; S369-D382 PolarHBondContact O-N 3.41Å
370	P	97.6	Very high	96.7	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.039	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142	176.5	29	-33.5	0	0	0	111.6	A360 L363 Q364 M368 M379	A360-P370 HydrophobicContact CB-CB 4.46Å; A360-P370 HydrophobicContact CB-CG 4.22Å; L363-P370 HydrophobicContact CB-CB 4.43Å; L363-P370 HydrophobicContact CB-CG 4.28Å; L363-P370 HydrophobicContact CD1-CB 4.14Å; Q364-P370 HydrophobicContact CG-CG 3.63Å; M368-P370 WeakPolarHBondContact O-CD 3.4Å; P370-M379 HydrophobicContact CB-CG 4.19Å; P370-M379 HydrophobicContact CB-SD 3.52Å; P370-M379 VanDerWaalsContact CB-SD 3.52Å
371	V	98.2	Very high	96.7	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	107.9	168.1	178.6	0	0	0	0	107.3	T193 S195 P373 L380 Y433	T193-V371 HydrophobicContact CG2-CG1 4.3Å; T193-V371 HydrophobicContact CG2-CG2 4Å; S195-V371 VanDerWaalsContact C-CG1 3.47Å; V371-P373 VanDerWaalsContact O-CD 3.28Å; V371-P373 WeakPolarHBondContact O-CD 3.45Å; V371-L380 HydrophobicContact CB-CB 3.91Å; V371-L380 HydrophobicContact CG2-CB 4.04Å; V371-L380 PolarHBondContact N-O 3.41Å; V371-Y433 HydrophobicContact CG2-CE1 4.11Å
372	V	98.4	Very high	96.7	Very high	39 Å²	39	18.6 Å²	18.6	24%	0.236	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-67.5	117.3	-176.2	-178.1	0	0	0	0	109.9	V194 S195 S196	V194-V372 PolarHBondContact O-N 3.38Å; S195-V372 CarbonylContact C-O 3.59Å; S195-V372 WeakPolarHBondContact CA-O 3.25Å; S195-V372 PolarHBondContact OG-O 2.82Å; S196-V372 PolarHBondContact N-O 3.3Å; S196-V372 PolarHBondContact OG-O 2.79Å
373	P	98.6	Very high	96.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.096	C	C	.	.			trans	-75.3	142.9	-178.3	31.4	-36.3	0	0	0	111.8	S196 Y260 R356 V371 F378 F438	S196-P373 WeakPolarHBondContact OG-CA 3.43Å; Y260-P373 VanDerWaalsContact CD2-O 3.3Å; Y260-P373 WeakPolarHBondContact CD2-O 3.46Å; Y260-P373 HydrophobicContact CE2-CG 4.32Å; R356-P373 HydrophobicContact CG-CG 3.81Å; R356-P373 PolarHBondContact NH1-O 3.19Å; V371-P373 VanDerWaalsContact O-CD 3.28Å; V371-P373 WeakPolarHBondContact O-CD 3.45Å; P373-F378 WeakPolarHBondContact CB-O 3.48Å; P373-F378 WeakPolarHBondContact CG-O 3.41Å; P373-F438 HydrophobicContact CG-CE1 3.84Å; P373-F438 HydrophobicContact CG-CZ 3.98Å
374	E	98.6	Very high	96.8	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.042	12%	0.117	C	C	.	.	S	Bend	trans	-81	-20.8	172.4	-66.8	171.5	107.4	0	0	111.6	S196 A197 G227 V229 Y260 H263	S196-E374 VanDerWaalsContact OG-CG 3.25Å; S196-E374 WeakPolarHBondContact OG-CG 3.23Å; S196-E374 PolarHBondContact OG-N 2.96Å; S196-E374 PolarHBondContact OG-OE2 2.9Å; A197-E374 HydrophobicContact CB-CG 4.34Å; A197-E374 WeakPolarHBondContact CB-OE1 3.44Å; A197-E374 PolarHBondContact N-OE2 3.19Å; G227-E374 PolarHBondContact O-N 3.39Å; V229-E374 HydrophobicContact CB-CB 3.96Å; V229-E374 HydrophobicContact CG2-CB 3.61Å; V229-E374 PolarHBondContact N-OE2 3.12Å; V229-E374 VanDerWaalsContact N-OE2 3.1Å; Y260-E374 VanDerWaalsContact CD2-C 3.45Å; Y260-E374 WeakPolarHBondContact CD2-O 3.32Å; Y260-E374 PolarHBondContact N-O 2.8Å; H263-E374 VanDerWaalsContact CE1-CG 3.44Å; H263-E374 WeakPolarHBondContact CE1-CG 3.43Å; H263-E374 IonicContact CE1-OE1 2.97Å; H263-E374 PolarHBondContact CE1-OE1 3.19Å; H263-E374 IonicContact CG-OE1 3.47Å; H263-E374 IonicContact ND1-OE1 2.64Å; H263-E374 PolarHBondContact ND1-OE1 2.95Å
375	G	98.4	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-165.4	176.7	176.3	0	0	0	0	0	113.7	G227 L258	G227-G375 WeakPolarHBondContact CA-O 3.45Å; G227-G375 PolarHBondContact O-N 3.14Å; L258-G375 CarbonylContact O-C 3.45Å; L258-G375 WeakPolarHBondContact O-CA 3.12Å
376	G	98.3	Very high	96.7	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.031	10%	0.097	C	C	.	.	S	Bend	trans	66.7	179.3	-171.5	0	0	0	0	0	112.3	L258 Y260 F438	L258-G376 PolarHBondContact O-N 3.31Å; Y260-G376 WeakPolarHBondContact CE2-O 3.35Å; Y260-G376 PolarHBondContact OH-O 3.24Å; G376-F438 VanDerWaalsContact O-CZ 3.29Å; G376-F438 WeakPolarHBondContact O-CZ 3.46Å
377	Y	98.3	Very high	96.7	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.016	13%	0.133	C	C	.	.	S	Bend	trans	-110.3	22.9	-174.1	50.4	-149.6	0	0	0	113.7	G78 Y255 L258 K286 C437 F438 I439	G78-Y377 PolarHBondContact O-OH 3.08Å; G78-Y377 VanDerWaalsContact O-OH 3.11Å; Y255-Y377 HydrophobicContact CD1-CE2 4.47Å; Y255-Y377 HydrophobicContact CE1-CD2 4.26Å; Y255-Y377 HydrophobicContact CE1-CE1 4.03Å; Y255-Y377 AromaticContact CE1-CE2 3.48Å; Y255-Y377 HydrophobicContact CE1-CE2 3.48Å; Y255-Y377 VanDerWaalsContact CE1-CE2 3.48Å; Y255-Y377 AromaticContact CE1-CZ 3.39Å; Y255-Y377 WeakPolarHBondContact CE1-OH 3.24Å; Y255-Y377 AromaticContact CZ-CE2 3.8Å; Y255-Y377 PolarHBondContact OH-OH 3.24Å; L258-Y377 HydrophobicContact CD1-CD1 3.97Å; L258-Y377 HydrophobicContact CD1-CE1 4.48Å; L258-Y377 HydrophobicContact CD1-CG 4.49Å; K286-Y377 HydrophobicContact CD-CE1 4.42Å; K286-Y377 VanDerWaalsContact CD-OH 3.24Å; K286-Y377 WeakPolarHBondContact CD-OH 3.44Å; K286-Y377 WeakPolarHBondContact CE-OH 3.27Å; K286-Y377 PolarHBondContact NZ-OH 3.42Å; Y377-C437 WeakPolarHBondContact O-CA 3.22Å; Y377-F438 VanDerWaalsContact CA-CZ 3.41Å; Y377-F438 VanDerWaalsContact O-CD1 3.27Å; Y377-F438 WeakPolarHBondContact O-CD1 3.28Å; Y377-F438 WeakPolarHBondContact O-CE1 3.44Å; Y377-F438 PolarHBondContact O-N 3.25Å; Y377-I439 HydrophobicContact CD1-CB 3.6Å; Y377-I439 HydrophobicContact CD1-CD1 3.66Å; Y377-I439 HydrophobicContact CD1-CG1 4.22Å; Y377-I439 HydrophobicContact CD1-CG2 3.2Å; Y377-I439 HydrophobicContact CD2-CG2 4.26Å; Y377-I439 HydrophobicContact CE1-CB 4.47Å; Y377-I439 HydrophobicContact CE1-CD1 4.15Å; Y377-I439 HydrophobicContact CE1-CG2 3.71Å; Y377-I439 HydrophobicContact CG-CB 3.92Å; Y377-I439 HydrophobicContact CG-CG2 3.49Å; Y377-I439 VanDerWaalsContact CG-CG2 3.49Å
378	F	98.5	Very high	96.7	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.4	-179.5	-65.4	-54.4	0	0	0	111	N224 Y255 P373 R435 L436 C437	N224-F378 HydrophobicContact CB-CD2 3.99Å; N224-F378 HydrophobicContact CB-CE2 4.03Å; N224-F378 VanDerWaalsContact CG-CE2 3.43Å; N224-F378 VanDerWaalsContact OD1-CD2 3.3Å; N224-F378 WeakPolarHBondContact OD1-CD2 3.21Å; N224-F378 VanDerWaalsContact OD1-CE2 3.24Å; N224-F378 WeakPolarHBondContact OD1-CE2 3.49Å; Y255-F378 WeakPolarHBondContact OH-CE2 3.26Å; P373-F378 WeakPolarHBondContact CB-O 3.48Å; P373-F378 WeakPolarHBondContact CG-O 3.41Å; F378-R435 HydrophobicContact CB-CG 3.99Å; F378-R435 HydrophobicContact CD1-CG 4.19Å; F378-R435 HydrophobicContact CG-CG 4.21Å; F378-R435 VanDerWaalsContact CZ-CZ 3.48Å; F378-L436 CarbonylContact C-O 3.26Å; F378-L436 VanDerWaalsContact CA-O 3.25Å; F378-L436 WeakPolarHBondContact CA-O 3.28Å; F378-C437 HydrophobicContact CD1-CB 3.91Å; F378-C437 HydrophobicContact CE1-CB 3.89Å
379	M	98.4	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.7	178	-174.9	177.3	-68.2	0	0	109.3	R356 L359 A360 L363 P370 V381 R435 L436 F438	R356-M379 HydrophobicContact CG-CE 3.83Å; R356-M379 WeakPolarHBondContact O-CE 3.37Å; L359-M379 HydrophobicContact CD2-SD 4.47Å; L359-M379 HydrophobicContact CG-SD 4.43Å; A360-M379 HydrophobicContact CB-CE 3.81Å; A360-M379 HydrophobicContact CB-SD 4.19Å; L363-M379 HydrophobicContact CD1-SD 3.63Å; P370-M379 HydrophobicContact CB-CG 4.19Å; P370-M379 HydrophobicContact CB-SD 3.52Å; P370-M379 VanDerWaalsContact CB-SD 3.52Å; M379-V381 HydrophobicContact CG-CG2 4.3Å; M379-R435 WeakPolarHBondContact O-CA 3.38Å; M379-L436 PolarHBondContact N-O 2.99Å; M379-L436 PolarHBondContact O-N 3.01Å; M379-F438 HydrophobicContact CB-CD1 4.27Å; M379-F438 HydrophobicContact CB-CE1 4.32Å
380	L	97.9	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.9	165.8	-102.8	58.1	0	0	0	109.5	P225 I226 V371 V418 Y433 I434 R435	P225-L380 VanDerWaalsContact C-CD1 3.41Å; P225-L380 HydrophobicContact CB-CD1 3.69Å; P225-L380 HydrophobicContact CG-CD1 3.92Å; P225-L380 WeakPolarHBondContact O-CD1 3.34Å; I226-L380 HydrophobicContact CB-CD2 4.42Å; I226-L380 HydrophobicContact CD1-CD2 4.31Å; I226-L380 HydrophobicContact CG1-CD1 4.45Å; I226-L380 HydrophobicContact CG1-CD2 3.79Å; V371-L380 HydrophobicContact CB-CB 3.91Å; V371-L380 HydrophobicContact CG2-CB 4.04Å; V371-L380 PolarHBondContact N-O 3.41Å; L380-V418 HydrophobicContact CD1-CG2 4.21Å; L380-V418 HydrophobicContact CG-CG2 4.14Å; L380-Y433 HydrophobicContact CB-CD1 4.25Å; L380-Y433 HydrophobicContact CD2-CD1 4.18Å; L380-Y433 HydrophobicContact CG-CD1 4.31Å; L380-I434 CarbonylContact C-O 3.51Å; L380-I434 WeakPolarHBondContact CA-O 3.4Å; L380-R435 HydrophobicContact CD1-CG 4.45Å
381	V	98	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	116.5	179	-173.4	0	0	0	0	108.7	L363 M368 M379 V383 Y433 I434 L436	L363-V381 HydrophobicContact CD1-CG2 3.64Å; L363-V381 HydrophobicContact CD2-CG1 4.34Å; L363-V381 HydrophobicContact CD2-CG2 4.45Å; M368-V381 HydrophobicContact CB-CG1 3.5Å; M368-V381 VanDerWaalsContact CB-CG1 3.5Å; M368-V381 HydrophobicContact CG-CG1 4.12Å; M368-V381 HydrophobicContact SD-CG1 3.74Å; M379-V381 HydrophobicContact CG-CG2 4.3Å; V381-V383 HydrophobicContact CG1-CG1 4.48Å; V381-V383 PolarHBondContact O-N 2.97Å; V381-Y433 WeakPolarHBondContact O-CA 3.41Å; V381-I434 HydrophobicContact CB-CG1 3.89Å; V381-I434 PolarHBondContact N-O 3.22Å; V381-I434 PolarHBondContact O-N 2.93Å; V381-L436 HydrophobicContact CG2-CD1 3.86Å; V381-L436 HydrophobicContact CG2-CG 4.24Å
382	D	97.4	Very high	95.7	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.7	170	177.2	8.4	0	0	0	109.2	S369 T384 K432 Y433	S369-D382 PolarHBondContact N-O 2.96Å; S369-D382 PolarHBondContact O-N 3.41Å; D382-T384 WeakPolarHBondContact OD1-CB 3.5Å; D382-T384 PolarHBondContact OD1-N 3.37Å; D382-T384 PolarHBondContact OD1-OG1 3.5Å; D382-K432 WeakPolarHBondContact CA-O 3.37Å; D382-Y433 HydrophobicContact CB-CD1 4.01Å; D382-Y433 HydrophobicContact CB-CE1 3.66Å
383	V	96.8	Very high	95.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.			trans	-98.2	-0.5	-178.7	-60.1	0	0	0	0	113	M368 V381 P385 L386 Y399 F403 K432 I434	M368-V383 HydrophobicContact SD-CG1 4.42Å; V381-V383 HydrophobicContact CG1-CG1 4.48Å; V381-V383 PolarHBondContact O-N 2.97Å; V383-P385 VanDerWaalsContact C-N 3.3Å; V383-L386 HydrophobicContact CB-CD1 4.32Å; V383-L386 WeakPolarHBondContact O-CB 3.36Å; V383-L386 PolarHBondContact O-N 3.42Å; V383-L386 VanDerWaalsContact O-N 3.07Å; V383-Y399 HydrophobicContact CG2-CE1 4.02Å; V383-F403 HydrophobicContact CB-CD2 4.48Å; V383-F403 HydrophobicContact CB-CE1 4.14Å; V383-F403 HydrophobicContact CB-CE2 4.05Å; V383-F403 HydrophobicContact CB-CZ 3.86Å; V383-F403 HydrophobicContact CG1-CD1 4.27Å; V383-F403 HydrophobicContact CG1-CE1 3.69Å; V383-F403 HydrophobicContact CG1-CE2 4.47Å; V383-F403 HydrophobicContact CG1-CZ 3.8Å; V383-F403 HydrophobicContact CG2-CD1 4.23Å; V383-F403 HydrophobicContact CG2-CD2 4.09Å; V383-F403 HydrophobicContact CG2-CE1 4.32Å; V383-F403 HydrophobicContact CG2-CE2 4.16Å; V383-F403 HydrophobicContact CG2-CG 4.12Å; V383-F403 HydrophobicContact CG2-CZ 4.28Å; V383-K432 VanDerWaalsContact CG2-O 3.27Å; V383-K432 WeakPolarHBondContact CG2-O 3.34Å; V383-K432 PolarHBondContact N-O 3.39Å; V383-I434 HydrophobicContact CG1-CD1 3.88Å; V383-I434 HydrophobicContact CG1-CG1 3.9Å; V383-I434 HydrophobicContact CG1-CG2 4.31Å
384	T	95.2	Very high	94.5	Very high	70 Å²	70	41.3 Å²	41.3	43%	0.429	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-48.2	-44.8	175.6	-53	0	0	0	0	113.1	D382 L386 N387 K432	D382-T384 WeakPolarHBondContact OD1-CB 3.5Å; D382-T384 PolarHBondContact OD1-N 3.37Å; D382-T384 PolarHBondContact OD1-OG1 3.5Å; T384-L386 PolarHBondContact O-N 2.82Å; T384-L386 VanDerWaalsContact O-N 3.08Å; T384-N387 PolarHBondContact O-N 3.28Å; T384-K432 WeakPolarHBondContact OG1-CB 3.38Å; T384-K432 WeakPolarHBondContact OG1-CG 3.27Å
385	P	94.1	Very high	93.5	Very high	73 Å²	73	47.3 Å²	47.3	47%	0.474	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14.8	-175.6	-18.9	31.9	0	0	0	114.4	G367 V383 N387	G367-P385 WeakPolarHBondContact O-CB 3.37Å; V383-P385 VanDerWaalsContact C-N 3.3Å; P385-N387 VanDerWaalsContact C-N 3.29Å
386	L	92.5	Very high	92.8	Very high	37 Å²	37	55.3 Å²	55.3	19%	0.194	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-74.6	-20.9	174.8	-60	-179.6	0	0	0	112.8	M368 V383 T384 Q388 F403 W455	M368-L386 HydrophobicContact CE-CD1 3.57Å; M368-L386 HydrophobicContact CG-CD1 3.77Å; M368-L386 HydrophobicContact CG-CD2 4.1Å; M368-L386 HydrophobicContact CG-CG 4.05Å; M368-L386 HydrophobicContact SD-CD1 4.35Å; V383-L386 HydrophobicContact CB-CD1 4.32Å; V383-L386 WeakPolarHBondContact O-CB 3.36Å; V383-L386 PolarHBondContact O-N 3.42Å; V383-L386 VanDerWaalsContact O-N 3.07Å; T384-L386 PolarHBondContact O-N 2.82Å; T384-L386 VanDerWaalsContact O-N 3.08Å; L386-Q388 PolarHBondContact O-N 3.49Å; L386-Q388 VanDerWaalsContact O-N 3.1Å; L386-F403 HydrophobicContact CD1-CE2 4.01Å; L386-F403 HydrophobicContact CD1-CZ 3.67Å; L386-W455 HydrophobicContact CD1-CZ2 3.71Å
387	N	91.7	Very high	92.4	Very high	146 Å²	146	58.8 Å²	58.8	78%	0.781	33%	0.33	S	S	*	.			trans	47.4	39.7	179.9	-165.8	42.8	0	0	0	113.4	T384 P385 D389	T384-N387 PolarHBondContact O-N 3.28Å; P385-N387 VanDerWaalsContact C-N 3.29Å; N387-D389 PolarHBondContact O-N 2.68Å
388	Q	93.1	Very high	92.2	Very high	58 Å²	58	59.4 Å²	59.4	27%	0.271	34%	0.337	S	S	.	.			trans	-71.1	119.6	-176.9	-179.8	60.2	60	0	0	109.9	L386 L390 Y399 F403 W406	L386-Q388 PolarHBondContact O-N 3.49Å; L386-Q388 VanDerWaalsContact O-N 3.1Å; Q388-L390 HydrophobicContact CG-CD1 4.47Å; Q388-L390 HydrophobicContact CG-CD2 3.81Å; Q388-L390 HydrophobicContact CG-CG 3.98Å; Q388-L390 PolarHBondContact O-N 2.79Å; Q388-Y399 PolarHBondContact O-OH 2.88Å; Q388-F403 HydrophobicContact CB-CD2 4.31Å; Q388-F403 HydrophobicContact CB-CE2 4.08Å; Q388-F403 HydrophobicContact CG-CE2 4.49Å; Q388-W406 HydrophobicContact CG-CD2 4.35Å; Q388-W406 HydrophobicContact CG-CE3 4.36Å; Q388-W406 HydrophobicContact CG-CH2 4.11Å; Q388-W406 HydrophobicContact CG-CZ2 4.08Å; Q388-W406 HydrophobicContact CG-CZ3 4.26Å; Q388-W406 VanDerWaalsContact OE1-CZ2 3.28Å
389	D	92.6	Very high	92.1	Very high	104 Å²	104	60.9 Å²	60.9	56%	0.556	34%	0.342	S	S	*	.			trans	-75.1	118.6	174.3	-177.1	10.6	0	0	0	110.3	N387 S391	N387-D389 PolarHBondContact O-N 2.68Å; D389-S391 WeakPolarHBondContact OD1-CB 3.44Å; D389-S391 PolarHBondContact OD1-N 3.43Å; D389-S391 PolarHBondContact OD1-OG 2.87Å; D389-S391 PolarHBondContact OD2-OG 2.97Å
390	L	93.8	Very high	92.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	34%	0.342	C	S	.	.			trans	-125.9	19.4	178.6	-58.6	174.9	0	0	0	111.3	Q388 H392 M393 Y399 K402 F403 W406	Q388-L390 HydrophobicContact CG-CD1 4.47Å; Q388-L390 HydrophobicContact CG-CD2 3.81Å; Q388-L390 HydrophobicContact CG-CG 3.98Å; Q388-L390 PolarHBondContact O-N 2.79Å; L390-H392 PolarHBondContact O-N 3.04Å; L390-M393 HydrophobicContact CB-SD 4.41Å; L390-M393 HydrophobicContact CD2-SD 4.03Å; L390-M393 WeakPolarHBondContact O-CB 3.41Å; L390-M393 PolarHBondContact O-N 2.77Å; L390-Y399 HydrophobicContact CB-CE2 4.48Å; L390-Y399 HydrophobicContact CD1-CE2 3.99Å; L390-Y399 HydrophobicContact CG-CE2 4.39Å; L390-K402 HydrophobicContact CB-CB 4.36Å; L390-K402 HydrophobicContact CD1-CB 3.96Å; L390-F403 VanDerWaalsContact CD1-CA 3.46Å; L390-F403 HydrophobicContact CD1-CB 3.82Å; L390-F403 HydrophobicContact CD1-CD2 4.15Å; L390-F403 HydrophobicContact CD1-CG 4.45Å; L390-W406 HydrophobicContact CD2-CB 3.89Å; L390-W406 HydrophobicContact CD2-CD2 4.2Å; L390-W406 HydrophobicContact CD2-CG 3.71Å
391	S	89.8	Confident	92	Very high	86 Å²	86	63.4 Å²	63.4	60%	0.601	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.9	179	57.6	0	0	0	0	113.5	D389 M393	D389-S391 WeakPolarHBondContact OD1-CB 3.44Å; D389-S391 PolarHBondContact OD1-N 3.43Å; D389-S391 PolarHBondContact OD1-OG 2.87Å; D389-S391 PolarHBondContact OD2-OG 2.97Å; S391-M393 PolarHBondContact O-N 2.81Å
392	H	89.3	Confident	91.9	Very high	137 Å²	137	64.2 Å²	64.2	63%	0.634	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.9	174.3	66.8	-83	0	0	0	113.6	L390	L390-H392 PolarHBondContact O-N 3.04Å
393	M	90.6	Very high	91.8	Very high	41 Å²	41	62.6 Å²	62.6	20%	0.202	35%	0.347	C	S	.	.	S	Bend	trans	-91.4	130.8	174.2	-61.3	-178.2	68.4	0	0	109.2	L390 S391 K402 K405 W406	L390-M393 HydrophobicContact CB-SD 4.41Å; L390-M393 HydrophobicContact CD2-SD 4.03Å; L390-M393 WeakPolarHBondContact O-CB 3.41Å; L390-M393 PolarHBondContact O-N 2.77Å; S391-M393 PolarHBondContact O-N 2.81Å; M393-K402 HydrophobicContact CB-CB 4.41Å; M393-K402 HydrophobicContact CB-CD 4.05Å; M393-K402 HydrophobicContact CB-CG 4.25Å; M393-K402 HydrophobicContact CE-CB 4.05Å; M393-K402 WeakPolarHBondContact CE-O 3.18Å; M393-K402 PolarHBondContact O-NZ 3.09Å; M393-K402 HydrophobicContact SD-CB 3.97Å; M393-K405 HydrophobicContact CE-CB 4.1Å; M393-W406 HydrophobicContact SD-CB 4.13Å
394	G	80.9	Confident	91.8	Very high	56 Å²	56	62.6 Å²	62.6	58%	0.577	35%	0.347	S	S	*	.			trans	-51.7	153	-171.3	0	0	0	0	0	115.4	D396 K402	G394-D396 VanDerWaalsContact C-N 3.34Å; G394-D396 PolarHBondContact O-N 3.04Å; G394-K402 WeakPolarHBondContact O-CE 3.39Å; G394-K402 PolarHBondContact O-NZ 3.04Å
395	D	77.3	Confident	91.8	Very high	134 Å²	134	62.3 Å²	62.3	72%	0.717	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.9	-165.2	-65.6	-35	0	0	0	116.3	E397 K402	D395-E397 PolarHBondContact O-N 3.44Å; D395-K402 IonicContact OD1-NZ 2.95Å; D395-K402 PolarHBondContact OD1-NZ 3.4Å
396	D	83.8	Confident	91.9	Very high	169 Å²	169	60.1 Å²	60.1	90%	0.904	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-2.2	-174.9	-57	-33.9	0	0	0	114	G394	G394-D396 VanDerWaalsContact C-N 3.34Å; G394-D396 PolarHBondContact O-N 3.04Å
397	E	89.9	Confident	92	Very high	75 Å²	75	58.4 Å²	58.4	35%	0.35	31%	0.313	S	S	.	.	S	Bend	trans	-123.8	145.4	-177.3	-62.8	-171.8	140.9	0	0	111.9	D395 K402 K405	D395-E397 PolarHBondContact O-N 3.44Å; E397-K402 HydrophobicContact CB-CG 4.31Å; E397-K402 WeakPolarHBondContact O-CE 3.16Å; E397-K405 IonicContact OE1-NZ 3.66Å; E397-K405 PolarHBondContact OE1-NZ 3.2Å; E397-K405 IonicContact OE2-NZ 3.58Å; E397-K405 PolarHBondContact OE2-NZ 3.22Å
398	A	94.8	Very high	92.2	Very high	18 Å²	18	51.9 Å²	51.9	15%	0.149	28%	0.278	C	S	.	.			trans	-60.7	154.3	173	0	0	0	0	0	111.6	D400 Y401 K402 T419 E431	A398-D400 VanDerWaalsContact C-N 3.32Å; A398-D400 WeakPolarHBondContact CB-OD1 3.36Å; A398-D400 PolarHBondContact O-N 3.25Å; A398-Y401 WeakPolarHBondContact O-CB 3.43Å; A398-Y401 PolarHBondContact O-N 2.9Å; A398-Y401 VanDerWaalsContact O-N 3.11Å; A398-K402 PolarHBondContact O-N 3.5Å; A398-T419 HydrophobicContact CB-CG2 3.93Å; A398-E431 HydrophobicContact CB-CB 4.15Å
399	Y	96.8	Very high	92.1	Very high	37 Å²	37	55.9 Å²	55.9	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-42.3	-173.8	179.1	-88.3	0	0	0	113.5	V383 Q388 L390 Y401 K402 F403 E431 K432	V383-Y399 HydrophobicContact CG2-CE1 4.02Å; Q388-Y399 PolarHBondContact O-OH 2.88Å; L390-Y399 HydrophobicContact CB-CE2 4.48Å; L390-Y399 HydrophobicContact CD1-CE2 3.99Å; L390-Y399 HydrophobicContact CG-CE2 4.39Å; Y399-Y401 VanDerWaalsContact C-N 3.34Å; Y399-Y401 PolarHBondContact O-N 3.48Å; Y399-K402 WeakPolarHBondContact O-CB 3.19Å; Y399-K402 PolarHBondContact O-N 2.95Å; Y399-F403 HydrophobicContact CD1-CB 4.4Å; Y399-F403 HydrophobicContact CE1-CB 4.13Å; Y399-F403 HydrophobicContact CE1-CD2 4.01Å; Y399-F403 HydrophobicContact CE1-CG 4.38Å; Y399-F403 WeakPolarHBondContact O-CB 3.08Å; Y399-F403 PolarHBondContact O-N 3.29Å; Y399-E431 WeakPolarHBondContact CB-O 3.21Å; Y399-E431 PolarHBondContact N-OE2 3.11Å; Y399-K432 VanDerWaalsContact CB-NZ 3.34Å; Y399-K432 HydrophobicContact CD1-CD 3.53Å; Y399-K432 HydrophobicContact CE1-CD 4.03Å; Y399-K432 HydrophobicContact CG-CD 3.95Å
400	D	97.1	Very high	92.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-34.6	179	60.8	-17	0	0	0	113.1	A398 F403 V404 P417 V418 T419 E431 Y433 I434	A398-D400 VanDerWaalsContact C-N 3.32Å; A398-D400 WeakPolarHBondContact CB-OD1 3.36Å; A398-D400 PolarHBondContact O-N 3.25Å; D400-F403 PolarHBondContact O-N 3.45Å; D400-V404 WeakPolarHBondContact O-CB 3.3Å; D400-V404 VanDerWaalsContact O-CG2 3.24Å; D400-V404 WeakPolarHBondContact O-CG2 3.36Å; D400-V404 PolarHBondContact O-N 3.07Å; D400-P417 HydrophobicContact CB-CB 4.01Å; D400-P417 VanDerWaalsContact OD2-C 3.28Å; D400-P417 WeakPolarHBondContact OD2-CA 3.23Å; D400-P417 VanDerWaalsContact OD2-CB 3.27Å; D400-P417 WeakPolarHBondContact OD2-CB 3.25Å; D400-V418 PolarHBondContact OD2-N 2.77Å; D400-T419 VanDerWaalsContact CG-OG1 3.23Å; D400-T419 WeakPolarHBondContact OD1-CG2 3.45Å; D400-T419 PolarHBondContact OD1-OG1 2.95Å; D400-T419 WeakPolarHBondContact OD2-CB 3.15Å; D400-T419 WeakPolarHBondContact OD2-CG2 3.49Å; D400-T419 PolarHBondContact OD2-N 3Å; D400-T419 PolarHBondContact OD2-OG1 3.39Å; D400-E431 VanDerWaalsContact CB-O 3.28Å; D400-E431 WeakPolarHBondContact CB-O 3.5Å; D400-E431 PolarHBondContact N-O 3.04Å; D400-Y433 WeakPolarHBondContact CB-O 3.29Å; D400-I434 HydrophobicContact CB-CG2 4.38Å
401	Y	96.2	Very high	92.1	Very high	52 Å²	52	58 Å²	58	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-47.8	171.7	-92.1	-104.1	0	0	0	111.4	F63 A398 Y399 F403 K405 P417 T419 A420	F63-Y401 AromaticContact CE2-CD1 3.86Å; F63-Y401 HydrophobicContact CE2-CD1 3.86Å; F63-Y401 AromaticContact CE2-CE1 3.58Å; F63-Y401 HydrophobicContact CE2-CE1 3.58Å; F63-Y401 AromaticContact CZ-CD1 3.82Å; F63-Y401 HydrophobicContact CZ-CD1 3.82Å; F63-Y401 HydrophobicContact CZ-CE1 4.04Å; F63-Y401 HydrophobicContact CZ-CG 4.48Å; A398-Y401 WeakPolarHBondContact O-CB 3.43Å; A398-Y401 PolarHBondContact O-N 2.9Å; A398-Y401 VanDerWaalsContact O-N 3.11Å; Y399-Y401 VanDerWaalsContact C-N 3.34Å; Y399-Y401 PolarHBondContact O-N 3.48Å; Y401-F403 VanDerWaalsContact C-N 3.31Å; Y401-F403 PolarHBondContact O-N 3.39Å; Y401-K405 WeakPolarHBondContact O-CG 3.39Å; Y401-K405 PolarHBondContact O-N 3.48Å; Y401-K405 VanDerWaalsContact O-N 3.08Å; Y401-P417 HydrophobicContact CD1-CG 4.08Å; Y401-P417 HydrophobicContact CD2-CB 3.46Å; Y401-P417 VanDerWaalsContact CD2-CB 3.46Å; Y401-P417 HydrophobicContact CD2-CG 3.56Å; Y401-P417 HydrophobicContact CE1-CG 3.97Å; Y401-P417 HydrophobicContact CE2-CB 3.67Å; Y401-P417 HydrophobicContact CE2-CG 3.43Å; Y401-P417 VanDerWaalsContact CE2-CG 3.43Å; Y401-P417 HydrophobicContact CG-CB 4.03Å; Y401-P417 HydrophobicContact CG-CG 3.88Å; Y401-T419 VanDerWaalsContact CD2-OG1 3.23Å; Y401-T419 WeakPolarHBondContact CD2-OG1 3.28Å; Y401-T419 VanDerWaalsContact CE2-OG1 3.23Å; Y401-T419 WeakPolarHBondContact CE2-OG1 3.29Å; Y401-A420 HydrophobicContact CE2-CB 4.33Å; Y401-A420 WeakPolarHBondContact OH-CB 3.34Å
402	K	96.1	Very high	92.4	Very high	17 Å²	17	57.7 Å²	57.7	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-47.2	175.9	-58.1	-179	-172.2	-159.8	0	109.9	L390 M393 G394 D395 E397 A398 Y399 K405 W406	L390-K402 HydrophobicContact CB-CB 4.36Å; L390-K402 HydrophobicContact CD1-CB 3.96Å; M393-K402 HydrophobicContact CB-CB 4.41Å; M393-K402 HydrophobicContact CB-CD 4.05Å; M393-K402 HydrophobicContact CB-CG 4.25Å; M393-K402 HydrophobicContact CE-CB 4.05Å; M393-K402 WeakPolarHBondContact CE-O 3.18Å; M393-K402 PolarHBondContact O-NZ 3.09Å; M393-K402 HydrophobicContact SD-CB 3.97Å; G394-K402 WeakPolarHBondContact O-CE 3.39Å; G394-K402 PolarHBondContact O-NZ 3.04Å; D395-K402 IonicContact OD1-NZ 2.95Å; D395-K402 PolarHBondContact OD1-NZ 3.4Å; E397-K402 HydrophobicContact CB-CG 4.31Å; E397-K402 WeakPolarHBondContact O-CE 3.16Å; A398-K402 PolarHBondContact O-N 3.5Å; Y399-K402 WeakPolarHBondContact O-CB 3.19Å; Y399-K402 PolarHBondContact O-N 2.95Å; K402-K405 PolarHBondContact O-N 3.45Å; K402-W406 WeakPolarHBondContact O-CB 3.35Å; K402-W406 PolarHBondContact O-N 3.44Å
403	F	96.5	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-47.8	-178.5	-173.8	-84.5	0	0	0	112.2	V383 L386 Q388 L390 Y399 D400 Y401 W406 M407 I434 W455	V383-F403 HydrophobicContact CB-CD2 4.48Å; V383-F403 HydrophobicContact CB-CE1 4.14Å; V383-F403 HydrophobicContact CB-CE2 4.05Å; V383-F403 HydrophobicContact CB-CZ 3.86Å; V383-F403 HydrophobicContact CG1-CD1 4.27Å; V383-F403 HydrophobicContact CG1-CE1 3.69Å; V383-F403 HydrophobicContact CG1-CE2 4.47Å; V383-F403 HydrophobicContact CG1-CZ 3.8Å; V383-F403 HydrophobicContact CG2-CD1 4.23Å; V383-F403 HydrophobicContact CG2-CD2 4.09Å; V383-F403 HydrophobicContact CG2-CE1 4.32Å; V383-F403 HydrophobicContact CG2-CE2 4.16Å; V383-F403 HydrophobicContact CG2-CG 4.12Å; V383-F403 HydrophobicContact CG2-CZ 4.28Å; L386-F403 HydrophobicContact CD1-CE2 4.01Å; L386-F403 HydrophobicContact CD1-CZ 3.67Å; Q388-F403 HydrophobicContact CB-CD2 4.31Å; Q388-F403 HydrophobicContact CB-CE2 4.08Å; Q388-F403 HydrophobicContact CG-CE2 4.49Å; L390-F403 VanDerWaalsContact CD1-CA 3.46Å; L390-F403 HydrophobicContact CD1-CB 3.82Å; L390-F403 HydrophobicContact CD1-CD2 4.15Å; L390-F403 HydrophobicContact CD1-CG 4.45Å; Y399-F403 HydrophobicContact CD1-CB 4.4Å; Y399-F403 HydrophobicContact CE1-CB 4.13Å; Y399-F403 HydrophobicContact CE1-CD2 4.01Å; Y399-F403 HydrophobicContact CE1-CG 4.38Å; Y399-F403 WeakPolarHBondContact O-CB 3.08Å; Y399-F403 PolarHBondContact O-N 3.29Å; D400-F403 PolarHBondContact O-N 3.45Å; Y401-F403 VanDerWaalsContact C-N 3.31Å; Y401-F403 PolarHBondContact O-N 3.39Å; F403-W406 HydrophobicContact CD2-CE3 4.39Å; F403-W406 HydrophobicContact CD2-CZ3 4.5Å; F403-W406 HydrophobicContact CE2-CE3 4.31Å; F403-W406 AromaticContact CE2-CZ3 3.97Å; F403-W406 HydrophobicContact CE2-CZ3 3.97Å; F403-W406 HydrophobicContact CZ-CZ3 4.05Å; F403-W406 PolarHBondContact O-N 2.93Å; F403-M407 HydrophobicContact CE1-CB 4.38Å; F403-M407 HydrophobicContact CE1-SD 3.98Å; F403-M407 VanDerWaalsContact O-CB 3.27Å; F403-M407 WeakPolarHBondContact O-CB 3.31Å; F403-M407 PolarHBondContact O-N 3.05Å; F403-I434 HydrophobicContact CD1-CG2 3.97Å; F403-I434 HydrophobicContact CE1-CD1 4.12Å; F403-I434 HydrophobicContact CE1-CG2 4.49Å; F403-W455 HydrophobicContact CE1-CH2 4.35Å; F403-W455 HydrophobicContact CE2-CZ2 4.44Å; F403-W455 AromaticContact CZ-CH2 3.96Å; F403-W455 HydrophobicContact CZ-CH2 3.96Å; F403-W455 AromaticContact CZ-CZ2 3.75Å; F403-W455 HydrophobicContact CZ-CZ2 3.75Å
404	V	96.6	Very high	93	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-41.2	180	176.4	0	0	0	0	111.1	F63 D400 M407 I408 A415 P417 I434	F63-V404 HydrophobicContact CD1-CG1 3.84Å; F63-V404 HydrophobicContact CE1-CB 3.94Å; F63-V404 HydrophobicContact CE1-CG1 3.4Å; F63-V404 VanDerWaalsContact CE1-CG1 3.4Å; F63-V404 HydrophobicContact CZ-CG1 4.34Å; D400-V404 WeakPolarHBondContact O-CB 3.3Å; D400-V404 VanDerWaalsContact O-CG2 3.24Å; D400-V404 WeakPolarHBondContact O-CG2 3.36Å; D400-V404 PolarHBondContact O-N 3.07Å; V404-M407 PolarHBondContact O-N 2.62Å; V404-I408 HydrophobicContact CG1-CD1 3.78Å; V404-I408 HydrophobicContact CG1-CG1 4.3Å; V404-I408 WeakPolarHBondContact O-CB 3.02Å; V404-I408 WeakPolarHBondContact O-CG1 3.48Å; V404-I408 PolarHBondContact O-N 2.85Å; V404-A415 HydrophobicContact CG1-CB 4.3Å; V404-A415 VanDerWaalsContact CG1-O 3.28Å; V404-A415 WeakPolarHBondContact CG1-O 3.39Å; V404-A415 HydrophobicContact CG2-CB 4.16Å; V404-P417 HydrophobicContact CG2-CB 4.43Å; V404-I434 HydrophobicContact CG2-CB 4.2Å; V404-I434 HydrophobicContact CG2-CG2 3.53Å
405	K	95.1	Very high	93.7	Very high	64 Å²	64	46.7 Å²	46.7	28%	0.278	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-45.7	174.8	-75	178.1	-177.7	176.1	0	112	F63 L66 M393 E397 Y401 K402 K409	F63-K405 HydrophobicContact CE1-CG 4.39Å; L66-K405 HydrophobicContact CD1-CG 4Å; M393-K405 HydrophobicContact CE-CB 4.1Å; E397-K405 IonicContact OE1-NZ 3.66Å; E397-K405 PolarHBondContact OE1-NZ 3.2Å; E397-K405 IonicContact OE2-NZ 3.58Å; E397-K405 PolarHBondContact OE2-NZ 3.22Å; Y401-K405 WeakPolarHBondContact O-CG 3.39Å; Y401-K405 PolarHBondContact O-N 3.48Å; Y401-K405 VanDerWaalsContact O-N 3.08Å; K402-K405 PolarHBondContact O-N 3.45Å; K405-K409 WeakPolarHBondContact O-CB 3.28Å; K405-K409 PolarHBondContact O-N 2.8Å
406	W	95.1	Very high	94.7	Very high	27 Å²	27	40.5 Å²	40.5	10%	0.102	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-46.5	175.2	166.9	89	0	0	0	111.3	Q388 L390 M393 K402 F403 I408 K409 E410 K411 W455	Q388-W406 HydrophobicContact CG-CD2 4.35Å; Q388-W406 HydrophobicContact CG-CE3 4.36Å; Q388-W406 HydrophobicContact CG-CH2 4.11Å; Q388-W406 HydrophobicContact CG-CZ2 4.08Å; Q388-W406 HydrophobicContact CG-CZ3 4.26Å; Q388-W406 VanDerWaalsContact OE1-CZ2 3.28Å; L390-W406 HydrophobicContact CD2-CB 3.89Å; L390-W406 HydrophobicContact CD2-CD2 4.2Å; L390-W406 HydrophobicContact CD2-CG 3.71Å; M393-W406 HydrophobicContact SD-CB 4.13Å; K402-W406 WeakPolarHBondContact O-CB 3.35Å; K402-W406 PolarHBondContact O-N 3.44Å; F403-W406 HydrophobicContact CD2-CE3 4.39Å; F403-W406 HydrophobicContact CD2-CZ3 4.5Å; F403-W406 HydrophobicContact CE2-CE3 4.31Å; F403-W406 AromaticContact CE2-CZ3 3.97Å; F403-W406 HydrophobicContact CE2-CZ3 3.97Å; F403-W406 HydrophobicContact CZ-CZ3 4.05Å; F403-W406 PolarHBondContact O-N 2.93Å; W406-I408 PolarHBondContact O-N 3.01Å; W406-K409 PolarHBondContact O-N 3.3Å; W406-E410 HydrophobicContact CG-CG 4.24Å; W406-E410 WeakPolarHBondContact O-CB 3.43Å; W406-E410 WeakPolarHBondContact O-CG 3.36Å; W406-E410 PolarHBondContact O-N 3.37Å; W406-K411 HydrophobicContact CH2-CD 4.38Å; W406-K411 VanDerWaalsContact CH2-CE 3.46Å; W406-K411 HydrophobicContact CH2-CG 3.98Å; W406-K411 HydrophobicContact CZ2-CG 4.42Å; W406-K411 HydrophobicContact CZ3-CG 4.2Å; W406-W455 HydrophobicContact CH2-CH2 4.32Å; W406-W455 AromaticContact CH2-CZ2 3.62Å; W406-W455 HydrophobicContact CH2-CZ2 3.62Å; W406-W455 AromaticContact CZ3-CH2 3.86Å; W406-W455 HydrophobicContact CZ3-CH2 3.86Å; W406-W455 AromaticContact CZ3-CZ2 3.44Å; W406-W455 HydrophobicContact CZ3-CZ2 3.44Å; W406-W455 VanDerWaalsContact CZ3-CZ2 3.44Å
407	M	95.3	Very high	95.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.146	C	C	.	.	I	π-helix	trans	-63.6	-41.5	-179.3	-176.1	-178.8	71	0	0	111.8	F403 V404 K411 K412 L413 A415 I434 W455	F403-M407 HydrophobicContact CE1-CB 4.38Å; F403-M407 HydrophobicContact CE1-SD 3.98Å; F403-M407 VanDerWaalsContact O-CB 3.27Å; F403-M407 WeakPolarHBondContact O-CB 3.31Å; F403-M407 PolarHBondContact O-N 3.05Å; V404-M407 PolarHBondContact O-N 2.62Å; M407-K411 HydrophobicContact CG-CB 4.16Å; M407-K411 HydrophobicContact CG-CG 4.47Å; M407-K411 CarbonylContact O-C 3.42Å; M407-K411 VanDerWaalsContact O-CA 3.25Å; M407-K411 WeakPolarHBondContact O-CA 3.39Å; M407-K411 VanDerWaalsContact O-CB 3.23Å; M407-K411 WeakPolarHBondContact O-CB 3.45Å; M407-K411 PolarHBondContact O-N 2.8Å; M407-K412 PolarHBondContact O-N 2.74Å; M407-L413 CarbonylContact C-O 3.18Å; M407-L413 HydrophobicContact CE-CG 4.29Å; M407-L413 WeakPolarHBondContact CE-O 3.16Å; M407-L413 HydrophobicContact CG-CB 4.11Å; M407-L413 WeakPolarHBondContact CG-O 3.47Å; M407-L413 PolarHBondContact O-N 3.46Å; M407-L413 HydrophobicContact SD-CB 4.37Å; M407-L413 HydrophobicContact SD-CD2 4.06Å; M407-L413 HydrophobicContact SD-CG 4.3Å; M407-A415 HydrophobicContact CE-CB 3.32Å; M407-I434 HydrophobicContact CE-CD1 4.18Å; M407-I434 HydrophobicContact SD-CD1 4.24Å; M407-W455 HydrophobicContact CB-CH2 4.46Å; M407-W455 HydrophobicContact CG-CH2 3.68Å; M407-W455 HydrophobicContact CG-CZ3 3.96Å; M407-W455 HydrophobicContact SD-CH2 3.68Å; M407-W455 HydrophobicContact SD-CZ3 3.99Å
408	I	94.6	Very high	95.7	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.046	13%	0.129	C	C	.	.	I	π-helix	trans	-60.1	-48.3	174.2	-73.7	171.1	0	0	0	110.5	F63 L66 I72 V404 W406 K412 L413 A414	F63-I408 HydrophobicContact CD1-CD1 3.95Å; F63-I408 HydrophobicContact CE1-CD1 4.37Å; L66-I408 HydrophobicContact CB-CD1 4.24Å; L66-I408 HydrophobicContact CB-CG2 4.38Å; L66-I408 WeakPolarHBondContact O-CG2 3.43Å; I72-I408 HydrophobicContact CD1-CG2 3.85Å; V404-I408 HydrophobicContact CG1-CD1 3.78Å; V404-I408 HydrophobicContact CG1-CG1 4.3Å; V404-I408 WeakPolarHBondContact O-CB 3.02Å; V404-I408 WeakPolarHBondContact O-CG1 3.48Å; V404-I408 PolarHBondContact O-N 2.85Å; W406-I408 PolarHBondContact O-N 3.01Å; I408-K412 VanDerWaalsContact O-CA 3.29Å; I408-K412 WeakPolarHBondContact O-CA 3.38Å; I408-K412 PolarHBondContact O-N 3.4Å; I408-L413 WeakPolarHBondContact CA-O 3.42Å; I408-L413 PolarHBondContact N-O 2.65Å; I408-A414 HydrophobicContact CD1-CB 4.11Å; I408-A414 HydrophobicContact CG1-CB 3.88Å
409	K	93	Very high	95.8	Very high	142 Å²	142	28.3 Å²	28.3	62%	0.617	12%	0.124	S	C	*	.	I	π-helix	trans	-72.1	-51.1	-173.8	-175.1	-175.9	169	-131.3	0	112.6	K405 W406	K405-K409 WeakPolarHBondContact O-CB 3.28Å; K405-K409 PolarHBondContact O-N 2.8Å; W406-K409 PolarHBondContact O-N 3.3Å
410	E	92.4	Very high	95.8	Very high	102 Å²	102	27.5 Å²	27.5	48%	0.477	12%	0.124	S	C	.	.	I	π-helix	trans	-92.9	-29	-168.8	-54	-58.7	152.8	0	0	112.4	W406	W406-E410 HydrophobicContact CG-CG 4.24Å; W406-E410 WeakPolarHBondContact O-CB 3.43Å; W406-E410 WeakPolarHBondContact O-CG 3.36Å; W406-E410 PolarHBondContact O-N 3.37Å
411	K	93.3	Very high	95.8	Very high	51 Å²	51	27.5 Å²	27.5	22%	0.222	12%	0.124	C	C	.	.	I	π-helix	trans	-109.7	-8.8	-178.6	-51.8	-60.2	-175.4	-179.9	0	113.8	W406 M407 L413 I451 W455	W406-K411 HydrophobicContact CH2-CD 4.38Å; W406-K411 VanDerWaalsContact CH2-CE 3.46Å; W406-K411 HydrophobicContact CH2-CG 3.98Å; W406-K411 HydrophobicContact CZ2-CG 4.42Å; W406-K411 HydrophobicContact CZ3-CG 4.2Å; M407-K411 HydrophobicContact CG-CB 4.16Å; M407-K411 HydrophobicContact CG-CG 4.47Å; M407-K411 CarbonylContact O-C 3.42Å; M407-K411 VanDerWaalsContact O-CA 3.25Å; M407-K411 WeakPolarHBondContact O-CA 3.39Å; M407-K411 VanDerWaalsContact O-CB 3.23Å; M407-K411 WeakPolarHBondContact O-CB 3.45Å; M407-K411 PolarHBondContact O-N 2.8Å; K411-L413 PolarHBondContact O-N 2.97Å; K411-I451 HydrophobicContact CB-CG2 4.15Å; K411-I451 WeakPolarHBondContact O-CG2 3.35Å; K411-W455 HydrophobicContact CB-CZ3 4.25Å; K411-W455 HydrophobicContact CG-CE3 4.23Å; K411-W455 HydrophobicContact CG-CH2 4.23Å; K411-W455 HydrophobicContact CG-CZ3 4.04Å
412	K	95.3	Very high	95.9	Very high	79 Å²	79	25.6 Å²	25.6	34%	0.343	12%	0.118	S	C	.	.			trans	58.5	31.6	-179	-53.8	-60.5	-172.9	170.8	0	113.5	D69 I72 V73 M407 I408	D69-K412 IonicContact OD2-NZ 2.9Å; I72-K412 WeakPolarHBondContact CA-O 3.36Å; I72-K412 HydrophobicContact CG1-CD 4.21Å; V73-K412 PolarHBondContact N-O 2.68Å; M407-K412 PolarHBondContact O-N 2.74Å; I408-K412 VanDerWaalsContact O-CA 3.29Å; I408-K412 WeakPolarHBondContact O-CA 3.38Å; I408-K412 PolarHBondContact O-N 3.4Å
413	L	96.1	Very high	95.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.4	176.3	-177.1	65	0	0	0	109.7	V73 L75 M407 I408 K411 A448 I451 L452	V73-L413 HydrophobicContact CB-CD1 4.04Å; V73-L413 HydrophobicContact CG1-CD1 3.98Å; L75-L413 HydrophobicContact CD1-CD1 3.96Å; L75-L413 HydrophobicContact CG-CD1 3.94Å; M407-L413 CarbonylContact C-O 3.18Å; M407-L413 HydrophobicContact CE-CG 4.29Å; M407-L413 WeakPolarHBondContact CE-O 3.16Å; M407-L413 HydrophobicContact CG-CB 4.11Å; M407-L413 WeakPolarHBondContact CG-O 3.47Å; M407-L413 PolarHBondContact O-N 3.46Å; M407-L413 HydrophobicContact SD-CB 4.37Å; M407-L413 HydrophobicContact SD-CD2 4.06Å; M407-L413 HydrophobicContact SD-CG 4.3Å; I408-L413 WeakPolarHBondContact CA-O 3.42Å; I408-L413 PolarHBondContact N-O 2.65Å; K411-L413 PolarHBondContact O-N 2.97Å; L413-A448 HydrophobicContact CD1-CB 3.98Å; L413-I451 HydrophobicContact CB-CD1 4.4Å; L413-I451 HydrophobicContact CB-CG2 4.26Å; L413-L452 HydrophobicContact CD2-CD1 4.34Å; L413-L452 HydrophobicContact CD2-CD2 4.05Å; L413-L452 HydrophobicContact CD2-CG 4.12Å
414	A	96.7	Very high	95.8	Very high	2 Å²	2	32 Å²	32	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139	178	0	0	0	0	0	112.6	A67 I72 V73 N74 L75 G76 I408	A67-A414 HydrophobicContact CB-CB 3.85Å; I72-A414 HydrophobicContact CG2-CB 3.9Å; V73-A414 PolarHBondContact O-N 3.12Å; N74-A414 HydrophobicContact CB-CB 4.47Å; L75-A414 CarbonylContact C-O 3.36Å; L75-A414 VanDerWaalsContact C-O 3.26Å; L75-A414 WeakPolarHBondContact CA-O 3.43Å; L75-A414 WeakPolarHBondContact CB-O 3.48Å; L75-A414 PolarHBondContact N-O 3.23Å; L75-A414 VanDerWaalsContact N-O 3.11Å; G76-A414 PolarHBondContact N-O 2.96Å; G76-A414 VanDerWaalsContact N-O 3.13Å; I408-A414 HydrophobicContact CD1-CB 4.11Å; I408-A414 HydrophobicContact CG1-CB 3.88Å
415	A	96.9	Very high	95.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	20%	0.195	C	C	.	.			trans	-136.9	-171.9	171.5	0	0	0	0	0	109.1	V404 M407 I434 L436	V404-A415 HydrophobicContact CG1-CB 4.3Å; V404-A415 VanDerWaalsContact CG1-O 3.28Å; V404-A415 WeakPolarHBondContact CG1-O 3.39Å; V404-A415 HydrophobicContact CG2-CB 4.16Å; M407-A415 HydrophobicContact CE-CB 3.32Å; A415-I434 HydrophobicContact CB-CB 4.27Å; A415-I434 HydrophobicContact CB-CD1 4.01Å; A415-L436 HydrophobicContact CB-CD2 3.44Å; A415-L436 VanDerWaalsContact CB-CD2 3.44Å; A415-L436 HydrophobicContact CB-CG 4.49Å
416	I	97.5	Very high	95.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.4	172.2	-60	-65.7	0	0	0	109.6	W60 F63 G76 F421 R435	W60-I416 HydrophobicContact CE3-CD1 4.34Å; W60-I416 HydrophobicContact CH2-CG1 4.49Å; W60-I416 HydrophobicContact CH2-CG2 4.47Å; W60-I416 HydrophobicContact CZ3-CD1 3.84Å; W60-I416 HydrophobicContact CZ3-CG1 3.95Å; F63-I416 HydrophobicContact CB-CD1 3.94Å; F63-I416 HydrophobicContact CG-CD1 4.29Å; G76-I416 WeakPolarHBondContact O-CG1 3.12Å; I416-F421 HydrophobicContact CG2-CE2 3.64Å; I416-F421 HydrophobicContact CG2-CZ 3.8Å; I416-R435 HydrophobicContact CB-CB 4.46Å; I416-R435 PolarHBondContact N-O 2.9Å; I416-R435 PolarHBondContact O-N 3.32Å
417	P	97.1	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135	173.7	28.3	-35.5	0	0	0	110.9	F63 D400 Y401 V404 T419 A420	F63-P417 HydrophobicContact CD2-CG 4.47Å; F63-P417 HydrophobicContact CE1-CG 4.44Å; F63-P417 HydrophobicContact CE2-CG 3.56Å; F63-P417 VanDerWaalsContact CZ-CD 3.48Å; F63-P417 HydrophobicContact CZ-CG 3.54Å; D400-P417 HydrophobicContact CB-CB 4.01Å; D400-P417 VanDerWaalsContact OD2-C 3.28Å; D400-P417 WeakPolarHBondContact OD2-CA 3.23Å; D400-P417 VanDerWaalsContact OD2-CB 3.27Å; D400-P417 WeakPolarHBondContact OD2-CB 3.25Å; Y401-P417 HydrophobicContact CD1-CG 4.08Å; Y401-P417 HydrophobicContact CD2-CB 3.46Å; Y401-P417 VanDerWaalsContact CD2-CB 3.46Å; Y401-P417 HydrophobicContact CD2-CG 3.56Å; Y401-P417 HydrophobicContact CE1-CG 3.97Å; Y401-P417 HydrophobicContact CE2-CB 3.67Å; Y401-P417 HydrophobicContact CE2-CG 3.43Å; Y401-P417 VanDerWaalsContact CE2-CG 3.43Å; Y401-P417 HydrophobicContact CG-CB 4.03Å; Y401-P417 HydrophobicContact CG-CG 3.88Å; V404-P417 HydrophobicContact CG2-CB 4.43Å; P417-T419 VanDerWaalsContact C-N 3.32Å; P417-A420 WeakPolarHBondContact O-CB 3.35Å; P417-A420 PolarHBondContact O-N 3.04Å
418	V	97.7	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-74.6	-24.7	-177.8	176.7	0	0	0	0	112	P164 P225 L380 D400 A420 F421 F430 Y433 R435	P164-V418 HydrophobicContact CB-CG1 4.42Å; P164-V418 HydrophobicContact CG-CG1 4.22Å; P225-V418 HydrophobicContact CG-CG1 4.29Å; L380-V418 HydrophobicContact CD1-CG2 4.21Å; L380-V418 HydrophobicContact CG-CG2 4.14Å; D400-V418 PolarHBondContact OD2-N 2.77Å; V418-A420 PolarHBondContact O-N 3.4Å; V418-F421 WeakPolarHBondContact O-CB 3.39Å; V418-F421 PolarHBondContact O-N 3.36Å; V418-F430 HydrophobicContact CG1-CB 4.11Å; V418-F430 HydrophobicContact CG1-CD1 3.88Å; V418-F430 HydrophobicContact CG1-CG 4.31Å; V418-Y433 WeakPolarHBondContact CB-O 3.27Å; V418-Y433 VanDerWaalsContact CG2-O 3.31Å; V418-Y433 WeakPolarHBondContact CG2-O 3.36Å; V418-Y433 PolarHBondContact N-O 3.47Å; V418-R435 HydrophobicContact CG2-CB 4.2Å
419	T	97	Very high	95.8	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-64.5	-11.6	176.4	57	0	0	0	0	113.5	A398 D400 Y401 P417 F421 K427 F430 E431	A398-T419 HydrophobicContact CB-CG2 3.93Å; D400-T419 VanDerWaalsContact CG-OG1 3.23Å; D400-T419 WeakPolarHBondContact OD1-CG2 3.45Å; D400-T419 PolarHBondContact OD1-OG1 2.95Å; D400-T419 WeakPolarHBondContact OD2-CB 3.15Å; D400-T419 WeakPolarHBondContact OD2-CG2 3.49Å; D400-T419 PolarHBondContact OD2-N 3Å; D400-T419 PolarHBondContact OD2-OG1 3.39Å; Y401-T419 VanDerWaalsContact CD2-OG1 3.23Å; Y401-T419 WeakPolarHBondContact CD2-OG1 3.28Å; Y401-T419 VanDerWaalsContact CE2-OG1 3.23Å; Y401-T419 WeakPolarHBondContact CE2-OG1 3.29Å; P417-T419 VanDerWaalsContact C-N 3.32Å; T419-F421 PolarHBondContact O-N 3.32Å; T419-K427 HydrophobicContact CG2-CB 4.37Å; T419-K427 HydrophobicContact CG2-CG 4.37Å; T419-F430 HydrophobicContact CG2-CB 4.49Å; T419-E431 VanDerWaalsContact CG2-CA 3.47Å; T419-E431 HydrophobicContact CG2-CB 3.79Å
420	A	96	Very high	96	Very high	19 Å²	19	43.9 Å²	43.9	16%	0.157	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-68.8	-15.2	168.2	0	0	0	0	0	113.9	V59 Y401 P417 V418	V59-A420 HydrophobicContact CB-CB 4.06Å; V59-A420 HydrophobicContact CG1-CB 4.14Å; V59-A420 HydrophobicContact CG2-CB 3.71Å; Y401-A420 HydrophobicContact CE2-CB 4.33Å; Y401-A420 WeakPolarHBondContact OH-CB 3.34Å; P417-A420 WeakPolarHBondContact O-CB 3.35Å; P417-A420 PolarHBondContact O-N 3.04Å; V418-A420 PolarHBondContact O-N 3.4Å
421	F	97.4	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-110.4	12	-174.9	-58	-64.8	0	0	0	112.8	W60 P164 F165 D167 P225 I416 V418 T419	W60-F421 HydrophobicContact CH2-CE1 4.3Å; W60-F421 AromaticContact CH2-CZ 3.85Å; W60-F421 HydrophobicContact CH2-CZ 3.85Å; W60-F421 AromaticContact CZ2-CE1 3.91Å; W60-F421 HydrophobicContact CZ2-CE1 3.91Å; W60-F421 AromaticContact CZ2-CZ 3.93Å; W60-F421 HydrophobicContact CZ2-CZ 3.93Å; P164-F421 CarbonylContact C-O 3.34Å; P164-F421 WeakPolarHBondContact CA-O 3.29Å; P164-F421 HydrophobicContact CB-CB 3.71Å; P164-F421 WeakPolarHBondContact CB-O 3.45Å; F165-F421 VanDerWaalsContact CD1-O 3.27Å; F165-F421 WeakPolarHBondContact CD1-O 3.41Å; F165-F421 WeakPolarHBondContact CE1-O 3.36Å; F165-F421 WeakPolarHBondContact CG-O 3.38Å; F165-F421 PolarHBondContact N-O 2.96Å; F165-F421 WeakPolarHBondContact O-CB 3.36Å; F165-F421 WeakPolarHBondContact O-CD1 3.27Å; D167-F421 HydrophobicContact CB-CD1 4.14Å; D167-F421 HydrophobicContact CB-CE1 4.18Å; P225-F421 HydrophobicContact CB-CD2 4.21Å; P225-F421 HydrophobicContact CB-CE2 4.34Å; P225-F421 HydrophobicContact CG-CB 4.34Å; P225-F421 HydrophobicContact CG-CD2 3.88Å; P225-F421 HydrophobicContact CG-CG 4.21Å; I416-F421 HydrophobicContact CG2-CE2 3.64Å; I416-F421 HydrophobicContact CG2-CZ 3.8Å; V418-F421 WeakPolarHBondContact O-CB 3.39Å; V418-F421 PolarHBondContact O-N 3.36Å; T419-F421 PolarHBondContact O-N 3.32Å
422	V	97.8	Very high	96.3	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.073	20%	0.202	C	C	.	.	S	Bend	trans	-136	157.1	-178.4	-52.4	0	0	0	0	110.8	E163 P164 K427 F430	E163-V422 HydrophobicContact CB-CG1 4.28Å; P164-V422 HydrophobicContact CB-CG1 3.71Å; P164-V422 HydrophobicContact CG-CG1 3.98Å; V422-K427 HydrophobicContact CG2-CG 4.17Å; V422-F430 HydrophobicContact CB-CD2 4.46Å; V422-F430 HydrophobicContact CG1-CB 4.31Å; V422-F430 HydrophobicContact CG1-CD2 3.67Å; V422-F430 HydrophobicContact CG1-CE2 4.09Å; V422-F430 HydrophobicContact CG1-CG 3.97Å; V422-F430 HydrophobicContact CG2-CB 4.49Å
423	G	96.5	Very high	96.4	Very high	14 Å²	14	39.4 Å²	39.4	14%	0.144	19%	0.191	C	C	.	.			trans	-76.3	170.4	170.2	0	0	0	0	0	112.5	E163 E425 S426 K427	E163-G423 PolarHBondContact OE1-N 3.21Å; G423-E425 VanDerWaalsContact C-N 3.31Å; G423-E425 PolarHBondContact O-N 3.12Å; G423-S426 PolarHBondContact O-N 3.34Å; G423-S426 VanDerWaalsContact O-N 3.09Å; G423-K427 PolarHBondContact O-N 3Å
424	E	94.8	Very high	96.5	Very high	137 Å²	137	39.4 Å²	39.4	64%	0.64	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-54.1	-45.2	-174.6	-162.1	63.5	-142.8	0	0	113	S426 K427	E424-S426 PolarHBondContact O-N 3.37Å; E424-K427 PolarHBondContact O-N 3.47Å; E424-K427 WeakPolarHBondContact OE1-CD 3.46Å; E424-K427 IonicContact OE1-NZ 2.62Å; E424-K427 PolarHBondContact OE1-NZ 2.94Å; E424-K427 WeakPolarHBondContact OE2-CE 3.48Å; E424-K427 IonicContact OE2-NZ 2.69Å; E424-K427 PolarHBondContact OE2-NZ 3.08Å
425	E	95.8	Very high	96.6	Very high	194 Å²	194	39.4 Å²	39.4	91%	0.907	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-64.2	-21.8	-176.9	-62.6	179.8	-176.9	0	0	113.5	G423	G423-E425 VanDerWaalsContact C-N 3.31Å; G423-E425 PolarHBondContact O-N 3.12Å
426	S	96.6	Very high	96.7	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-101.5	-5.2	-178	-70.4	0	0	0	0	112.7	E163 G423 E424 E428 Q429 F430	E163-S426 WeakPolarHBondContact OE2-CB 3.28Å; E163-S426 PolarHBondContact OE2-OG 3.15Å; G423-S426 PolarHBondContact O-N 3.34Å; G423-S426 VanDerWaalsContact O-N 3.09Å; E424-S426 PolarHBondContact O-N 3.37Å; S426-E428 PolarHBondContact O-N 3.31Å; S426-Q429 WeakPolarHBondContact O-CB 3.47Å; S426-Q429 PolarHBondContact O-N 3.49Å; S426-Q429 VanDerWaalsContact O-N 3.17Å; S426-F430 WeakPolarHBondContact O-CD2 3.43Å; S426-F430 PolarHBondContact O-N 3.06Å
427	K	95.6	Very high	96.7	Very high	65 Å²	65	39.3 Å²	39.3	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-57.5	-46.9	-176.4	-77.5	-177.4	179.5	169.8	0	113	T419 V422 G423 E424 Q429 F430 E431	T419-K427 HydrophobicContact CG2-CB 4.37Å; T419-K427 HydrophobicContact CG2-CG 4.37Å; V422-K427 HydrophobicContact CG2-CG 4.17Å; G423-K427 PolarHBondContact O-N 3Å; E424-K427 PolarHBondContact O-N 3.47Å; E424-K427 WeakPolarHBondContact OE1-CD 3.46Å; E424-K427 IonicContact OE1-NZ 2.62Å; E424-K427 PolarHBondContact OE1-NZ 2.94Å; E424-K427 WeakPolarHBondContact OE2-CE 3.48Å; E424-K427 IonicContact OE2-NZ 2.69Å; E424-K427 PolarHBondContact OE2-NZ 3.08Å; K427-Q429 PolarHBondContact O-N 2.99Å; K427-F430 CarbonylContact O-C 3.57Å; K427-F430 PolarHBondContact O-N 3.37Å; K427-E431 WeakPolarHBondContact O-CB 3.45Å; K427-E431 PolarHBondContact O-N 3.43Å
428	E	94.4	Very high	96.8	Very high	176 Å²	176	39.3 Å²	39.3	82%	0.822	19%	0.19	S	C	*	.	H	α-helix	trans	-57.9	-35.8	-179.3	-67.9	-173.6	175.8	0	0	112.4	S426 F430	S426-E428 PolarHBondContact O-N 3.31Å; E428-F430 VanDerWaalsContact C-N 3.31Å; E428-F430 PolarHBondContact O-N 3.37Å
429	Q	93.8	Very high	96.8	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-30.7	178	-175.2	-176.7	-31.9	0	0	112.4	L185 S426 K427	L185-Q429 PolarHBondContact O-NE2 3.22Å; L185-Q429 VanDerWaalsContact O-NE2 3.16Å; S426-Q429 WeakPolarHBondContact O-CB 3.47Å; S426-Q429 PolarHBondContact O-N 3.49Å; S426-Q429 VanDerWaalsContact O-N 3.17Å; K427-Q429 PolarHBondContact O-N 2.99Å
430	F	96.6	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-112.3	-8.3	-170.7	-71.1	-81.3	0	0	0	114.8	P164 P184 W199 V418 T419 V422 S426 K427 E428 K432 Y433	P164-F430 HydrophobicContact CG-CD1 3.86Å; P164-F430 HydrophobicContact CG-CE1 3.39Å; P164-F430 HydrophobicContact CG-CE2 4.33Å; P164-F430 HydrophobicContact CG-CG 4.5Å; P164-F430 HydrophobicContact CG-CZ 3.66Å; P184-F430 HydrophobicContact CB-CE2 4.42Å; W199-F430 HydrophobicContact CE3-CE1 4.28Å; W199-F430 HydrophobicContact CE3-CZ 4.26Å; W199-F430 HydrophobicContact CH2-CD1 4.11Å; W199-F430 AromaticContact CH2-CE1 3.36Å; W199-F430 HydrophobicContact CH2-CE1 3.36Å; W199-F430 AromaticContact CH2-CZ 3.9Å; W199-F430 HydrophobicContact CH2-CZ 3.9Å; W199-F430 HydrophobicContact CZ2-CE1 4.26Å; W199-F430 HydrophobicContact CZ3-CD1 4.46Å; W199-F430 AromaticContact CZ3-CE1 3.36Å; W199-F430 HydrophobicContact CZ3-CE1 3.36Å; W199-F430 AromaticContact CZ3-CZ 3.42Å; W199-F430 HydrophobicContact CZ3-CZ 3.42Å; W199-F430 VanDerWaalsContact CZ3-CZ 3.42Å; V418-F430 HydrophobicContact CG1-CB 4.11Å; V418-F430 HydrophobicContact CG1-CD1 3.88Å; V418-F430 HydrophobicContact CG1-CG 4.31Å; T419-F430 HydrophobicContact CG2-CB 4.49Å; V422-F430 HydrophobicContact CB-CD2 4.46Å; V422-F430 HydrophobicContact CG1-CB 4.31Å; V422-F430 HydrophobicContact CG1-CD2 3.67Å; V422-F430 HydrophobicContact CG1-CE2 4.09Å; V422-F430 HydrophobicContact CG1-CG 3.97Å; V422-F430 HydrophobicContact CG2-CB 4.49Å; S426-F430 WeakPolarHBondContact O-CD2 3.43Å; S426-F430 PolarHBondContact O-N 3.06Å; K427-F430 CarbonylContact O-C 3.57Å; K427-F430 PolarHBondContact O-N 3.37Å; E428-F430 VanDerWaalsContact C-N 3.31Å; E428-F430 PolarHBondContact O-N 3.37Å; F430-K432 PolarHBondContact O-N 3.47Å; F430-Y433 HydrophobicContact CD1-CD2 4.44Å; F430-Y433 PolarHBondContact O-N 3.35Å
431	E	96.4	Very high	96.8	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.243	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.1	-174.4	64.6	149.2	-146.6	0	0	115.4	A398 Y399 D400 T419 K427	A398-E431 HydrophobicContact CB-CB 4.15Å; Y399-E431 WeakPolarHBondContact CB-O 3.21Å; Y399-E431 PolarHBondContact N-OE2 3.11Å; D400-E431 VanDerWaalsContact CB-O 3.28Å; D400-E431 WeakPolarHBondContact CB-O 3.5Å; D400-E431 PolarHBondContact N-O 3.04Å; T419-E431 VanDerWaalsContact CG2-CA 3.47Å; T419-E431 HydrophobicContact CG2-CB 3.79Å; K427-E431 WeakPolarHBondContact O-CB 3.45Å; K427-E431 PolarHBondContact O-N 3.43Å
432	K	96.8	Very high	96.7	Very high	60 Å²	60	47 Å²	47	26%	0.261	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	4.7	171.6	-54.4	-52.6	-171.1	-144	0	113.6	D382 V383 T384 Y399 F430	D382-K432 WeakPolarHBondContact CA-O 3.37Å; V383-K432 VanDerWaalsContact CG2-O 3.27Å; V383-K432 WeakPolarHBondContact CG2-O 3.34Å; V383-K432 PolarHBondContact N-O 3.39Å; T384-K432 WeakPolarHBondContact OG1-CB 3.38Å; T384-K432 WeakPolarHBondContact OG1-CG 3.27Å; Y399-K432 VanDerWaalsContact CB-NZ 3.34Å; Y399-K432 HydrophobicContact CD1-CD 3.53Å; Y399-K432 HydrophobicContact CE1-CD 4.03Å; Y399-K432 HydrophobicContact CG-CD 3.95Å; F430-K432 PolarHBondContact O-N 3.47Å
433	Y	98.1	Very high	96.6	Very high	27 Å²	27	49.3 Å²	49.3	11%	0.106	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.2	178	-66.8	-92.5	0	0	0	111.5	W199 V371 L380 V381 D382 D400 V418 F430	W199-Y433 HydrophobicContact CH2-CE2 4.39Å; W199-Y433 HydrophobicContact CZ2-CE1 4.24Å; W199-Y433 HydrophobicContact CZ2-CE2 4.44Å; W199-Y433 AromaticContact CZ2-CZ 3.96Å; V371-Y433 HydrophobicContact CG2-CE1 4.11Å; L380-Y433 HydrophobicContact CB-CD1 4.25Å; L380-Y433 HydrophobicContact CD2-CD1 4.18Å; L380-Y433 HydrophobicContact CG-CD1 4.31Å; V381-Y433 WeakPolarHBondContact O-CA 3.41Å; D382-Y433 HydrophobicContact CB-CD1 4.01Å; D382-Y433 HydrophobicContact CB-CE1 3.66Å; D400-Y433 WeakPolarHBondContact CB-O 3.29Å; V418-Y433 WeakPolarHBondContact CB-O 3.27Å; V418-Y433 VanDerWaalsContact CG2-O 3.31Å; V418-Y433 WeakPolarHBondContact CG2-O 3.36Å; V418-Y433 PolarHBondContact N-O 3.47Å; F430-Y433 HydrophobicContact CD1-CD2 4.44Å; F430-Y433 PolarHBondContact O-N 3.35Å
434	I	98.1	Very high	96.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	158.4	164.8	66.8	173.4	0	0	0	109.7	L380 V381 V383 D400 F403 V404 M407 A415 L436	L380-I434 CarbonylContact C-O 3.51Å; L380-I434 WeakPolarHBondContact CA-O 3.4Å; V381-I434 HydrophobicContact CB-CG1 3.89Å; V381-I434 PolarHBondContact N-O 3.22Å; V381-I434 PolarHBondContact O-N 2.93Å; V383-I434 HydrophobicContact CG1-CD1 3.88Å; V383-I434 HydrophobicContact CG1-CG1 3.9Å; V383-I434 HydrophobicContact CG1-CG2 4.31Å; D400-I434 HydrophobicContact CB-CG2 4.38Å; F403-I434 HydrophobicContact CD1-CG2 3.97Å; F403-I434 HydrophobicContact CE1-CD1 4.12Å; F403-I434 HydrophobicContact CE1-CG2 4.49Å; V404-I434 HydrophobicContact CG2-CB 4.2Å; V404-I434 HydrophobicContact CG2-CG2 3.53Å; M407-I434 HydrophobicContact CE-CD1 4.18Å; M407-I434 HydrophobicContact SD-CD1 4.24Å; A415-I434 HydrophobicContact CB-CB 4.27Å; A415-I434 HydrophobicContact CB-CD1 4.01Å; I434-L436 HydrophobicContact CD1-CD2 4.47Å
435	R	98.4	Very high	96.7	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.6	174.9	-170.4	-160.2	76.5	-179.8	0.3	110.8	W60 G76 N224 P225 F378 M379 L380 I416 V418	W60-R435 VanDerWaalsContact CH2-NH2 3.29Å; G76-R435 PolarHBondContact O-NH2 3.1Å; N224-R435 PolarHBondContact OD1-NH1 3.08Å; P225-R435 HydrophobicContact CB-CB 4.31Å; P225-R435 HydrophobicContact CB-CG 3.8Å; F378-R435 HydrophobicContact CB-CG 3.99Å; F378-R435 HydrophobicContact CD1-CG 4.19Å; F378-R435 HydrophobicContact CG-CG 4.21Å; F378-R435 VanDerWaalsContact CZ-CZ 3.48Å; M379-R435 WeakPolarHBondContact O-CA 3.38Å; L380-R435 HydrophobicContact CD1-CG 4.45Å; I416-R435 HydrophobicContact CB-CB 4.46Å; I416-R435 PolarHBondContact N-O 2.9Å; I416-R435 PolarHBondContact O-N 3.32Å; V418-R435 HydrophobicContact CG2-CB 4.2Å
436	L	98.2	Very high	96.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	154.2	172.1	-61.3	175.7	0	0	0	111.1	L75 L359 L363 F378 M379 V381 A415 I434	L75-L436 HydrophobicContact CB-CB 4.39Å; L75-L436 HydrophobicContact CB-CD2 3.83Å; L75-L436 HydrophobicContact CD1-CD2 4.3Å; L75-L436 CarbonylContact O-C 3.49Å; L75-L436 WeakPolarHBondContact O-CA 3.19Å; L359-L436 HydrophobicContact CD2-CB 4.14Å; L359-L436 HydrophobicContact CD2-CD1 4.5Å; L363-L436 HydrophobicContact CD1-CD1 3.93Å; L363-L436 HydrophobicContact CD2-CD1 3.63Å; L363-L436 HydrophobicContact CG-CD1 4.36Å; F378-L436 CarbonylContact C-O 3.26Å; F378-L436 VanDerWaalsContact CA-O 3.25Å; F378-L436 WeakPolarHBondContact CA-O 3.28Å; M379-L436 PolarHBondContact N-O 2.99Å; M379-L436 PolarHBondContact O-N 3.01Å; V381-L436 HydrophobicContact CG2-CD1 3.86Å; V381-L436 HydrophobicContact CG2-CG 4.24Å; A415-L436 HydrophobicContact CB-CD2 3.44Å; A415-L436 VanDerWaalsContact CB-CD2 3.44Å; A415-L436 HydrophobicContact CB-CG 4.49Å; I434-L436 HydrophobicContact CD1-CD2 4.47Å
437	C	98.3	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	-179.8	-179.2	0	0	0	0	109.6	L75 Y377 F378 I439	L75-C437 VanDerWaalsContact O-CB 3.23Å; L75-C437 WeakPolarHBondContact O-CB 3.42Å; L75-C437 PolarHBondContact O-N 3.4Å; Y377-C437 WeakPolarHBondContact O-CA 3.22Å; F378-C437 HydrophobicContact CD1-CB 3.91Å; F378-C437 HydrophobicContact CE1-CB 3.89Å; C437-I439 WeakPolarHBondContact SG-CG2 3.32Å
438	F	98	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.			trans	-118.6	7.8	-176	60.7	-99	0	0	0	114.7	Y260 L352 K355 R356 L359 P373 G376 Y377 M379 K440 L445	Y260-F438 HydrophobicContact CE2-CZ 4.18Å; Y260-F438 AromaticContact CZ-CZ 3.93Å; Y260-F438 WeakPolarHBondContact OH-CE2 3.36Å; Y260-F438 WeakPolarHBondContact OH-CZ 3.4Å; L352-F438 HydrophobicContact CB-CE2 4.22Å; K355-F438 HydrophobicContact CB-CD2 4.3Å; R356-F438 HydrophobicContact CB-CD2 4.11Å; R356-F438 HydrophobicContact CB-CE1 4.34Å; R356-F438 HydrophobicContact CB-CE2 3.63Å; R356-F438 HydrophobicContact CB-CZ 3.75Å; R356-F438 HydrophobicContact CG-CE1 4.27Å; R356-F438 HydrophobicContact CG-CE2 4.34Å; R356-F438 HydrophobicContact CG-CZ 3.93Å; L359-F438 HydrophobicContact CB-CB 4.44Å; L359-F438 HydrophobicContact CD2-CB 3.76Å; L359-F438 HydrophobicContact CD2-CD1 4.43Å; P373-F438 HydrophobicContact CG-CE1 3.84Å; P373-F438 HydrophobicContact CG-CZ 3.98Å; G376-F438 VanDerWaalsContact O-CZ 3.29Å; G376-F438 WeakPolarHBondContact O-CZ 3.46Å; Y377-F438 VanDerWaalsContact CA-CZ 3.41Å; Y377-F438 VanDerWaalsContact O-CD1 3.27Å; Y377-F438 WeakPolarHBondContact O-CD1 3.28Å; Y377-F438 WeakPolarHBondContact O-CE1 3.44Å; Y377-F438 PolarHBondContact O-N 3.25Å; M379-F438 HydrophobicContact CB-CD1 4.27Å; M379-F438 HydrophobicContact CB-CE1 4.32Å; F438-K440 PolarHBondContact O-N 2.99Å; F438-L445 HydrophobicContact CB-CD2 4.48Å
439	I	97.6	Very high	96.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.157	C	C	.	.			trans	-72.2	67.8	162.9	-176.5	155.8	0	0	0	109.8	P80 I82 L348 L352 Y377 C437	P80-I439 WeakPolarHBondContact CA-O 3.32Å; P80-I439 HydrophobicContact CB-CD1 3.96Å; P80-I439 HydrophobicContact CB-CG1 3.79Å; P80-I439 HydrophobicContact CG-CD1 3.68Å; P80-I439 HydrophobicContact CG-CG1 4.02Å; I82-I439 HydrophobicContact CD1-CD1 4.14Å; I82-I439 HydrophobicContact CD1-CG1 3.87Å; I82-I439 HydrophobicContact CG1-CG1 4.04Å; L348-I439 HydrophobicContact CD1-CD1 4.46Å; L352-I439 HydrophobicContact CD1-CD1 4.2Å; L352-I439 HydrophobicContact CD2-CB 3.78Å; L352-I439 HydrophobicContact CD2-CD1 4.22Å; L352-I439 HydrophobicContact CD2-CG1 3.83Å; Y377-I439 HydrophobicContact CD1-CB 3.6Å; Y377-I439 HydrophobicContact CD1-CD1 3.66Å; Y377-I439 HydrophobicContact CD1-CG1 4.22Å; Y377-I439 HydrophobicContact CD1-CG2 3.2Å; Y377-I439 HydrophobicContact CD2-CG2 4.26Å; Y377-I439 HydrophobicContact CE1-CB 4.47Å; Y377-I439 HydrophobicContact CE1-CD1 4.15Å; Y377-I439 HydrophobicContact CE1-CG2 3.71Å; Y377-I439 HydrophobicContact CG-CB 3.92Å; Y377-I439 HydrophobicContact CG-CG2 3.49Å; Y377-I439 VanDerWaalsContact CG-CG2 3.49Å; C437-I439 WeakPolarHBondContact SG-CG2 3.32Å
440	K	97	Very high	96.5	Very high	4 Å²	4	32 Å²	32	2%	0.017	17%	0.169	C	C	.	.	S	Bend	trans	-128.4	153.5	-172.5	-59.9	-63.7	177.9	-168.4	0	111.9	N74 L75 F79 D81 K355 F438 T444 L445	N74-K440 VanDerWaalsContact O-CE 3.31Å; N74-K440 WeakPolarHBondContact O-CE 3.48Å; N74-K440 PolarHBondContact O-NZ 2.81Å; L75-K440 HydrophobicContact CD2-CG 3.91Å; F79-K440 PolarHBondContact O-NZ 2.84Å; D81-K440 VanDerWaalsContact OD1-C 3.22Å; D81-K440 WeakPolarHBondContact OD1-CA 3.47Å; D81-K440 WeakPolarHBondContact OD2-CD 3.31Å; K355-K440 WeakPolarHBondContact CD-O 3.39Å; K355-K440 VanDerWaalsContact CE-O 3.29Å; K355-K440 WeakPolarHBondContact CE-O 3.14Å; K355-K440 PolarHBondContact NZ-O 2.79Å; F438-K440 PolarHBondContact O-N 2.99Å; K440-T444 HydrophobicContact CB-CG2 4.04Å; K440-T444 HydrophobicContact CD-CG2 4.18Å; K440-T444 HydrophobicContact CG-CG2 4.15Å; K440-L445 HydrophobicContact CB-CD2 3.9Å; K440-L445 HydrophobicContact CB-CG 3.99Å; K440-L445 HydrophobicContact CG-CD2 4.29Å
441	E	96.1	Very high	96.4	Very high	84 Å²	84	33.7 Å²	33.7	39%	0.393	18%	0.178	S	C	.	.			trans	-56	149.9	164.6	-68.1	-169.1	166	0	0	109.4	D81 I82 S443 T444 L445	D81-E441 PolarHBondContact OD1-N 2.99Å; I82-E441 HydrophobicContact CG2-CG 4.05Å; E441-S443 WeakPolarHBondContact CB-OG 3.33Å; E441-S443 PolarHBondContact O-N 2.85Å; E441-S443 PolarHBondContact OE2-OG 3.34Å; E441-T444 WeakPolarHBondContact O-CB 3.48Å; E441-T444 PolarHBondContact O-N 3.34Å; E441-T444 VanDerWaalsContact O-N 3.12Å; E441-L445 PolarHBondContact O-N 3.12Å
442	D	96.1	Very high	96	Very high	98 Å²	98	31.3 Å²	31.3	52%	0.524	17%	0.167	S	C	.	.	H	α-helix	trans	-61.1	-38.2	-180	-62.8	-33.8	0	0	0	110.8	K355 T444 L445 E446	K355-D442 IonicContact NZ-OD1 3.54Å; K355-D442 PolarHBondContact NZ-OD1 3.47Å; K355-D442 IonicContact NZ-OD2 2.7Å; D442-T444 VanDerWaalsContact C-N 3.3Å; D442-T444 PolarHBondContact O-N 2.97Å; D442-L445 PolarHBondContact O-N 3.42Å; D442-L445 VanDerWaalsContact O-N 3.08Å; D442-E446 WeakPolarHBondContact O-CB 3.4Å; D442-E446 WeakPolarHBondContact O-CG 3.45Å; D442-E446 PolarHBondContact O-N 3.49Å
443	S	96.1	Very high	95.4	Very high	62 Å²	62	33.9 Å²	33.9	43%	0.434	18%	0.178	S	C	.	.	H	α-helix	trans	-55.1	-40.2	173.8	55.9	0	0	0	0	113.2	E441 A447	E441-S443 WeakPolarHBondContact CB-OG 3.33Å; E441-S443 PolarHBondContact O-N 2.85Å; E441-S443 PolarHBondContact OE2-OG 3.34Å; S443-A447 WeakPolarHBondContact O-CB 3.43Å; S443-A447 PolarHBondContact O-N 2.96Å
444	T	96.2	Very high	94.6	Very high	27 Å²	27	36.6 Å²	36.6	17%	0.166	19%	0.194	C	C	.	.	H	α-helix	trans	-68.7	-40.5	176.7	-61.8	0	0	0	0	111.3	V73 L75 D81 K440 E441 D442 A447 A448	V73-T444 HydrophobicContact CG1-CG2 4.14Å; L75-T444 HydrophobicContact CD2-CG2 4.12Å; D81-T444 WeakPolarHBondContact OD2-CB 3.23Å; D81-T444 PolarHBondContact OD2-OG1 3.21Å; K440-T444 HydrophobicContact CB-CG2 4.04Å; K440-T444 HydrophobicContact CD-CG2 4.18Å; K440-T444 HydrophobicContact CG-CG2 4.15Å; E441-T444 WeakPolarHBondContact O-CB 3.48Å; E441-T444 PolarHBondContact O-N 3.34Å; E441-T444 VanDerWaalsContact O-N 3.12Å; D442-T444 VanDerWaalsContact C-N 3.3Å; D442-T444 PolarHBondContact O-N 2.97Å; T444-A447 PolarHBondContact O-N 3.23Å; T444-A448 PolarHBondContact O-N 3.24Å
445	L	96	Very high	93.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-69.6	-37.5	177	-63	179.2	0	0	0	111.8	L75 K355 F438 K440 E441 D442 A448 G449	L75-L445 HydrophobicContact CD2-CD2 4.31Å; K355-L445 HydrophobicContact CB-CD1 3.77Å; K355-L445 HydrophobicContact CD-CD1 4.44Å; K355-L445 HydrophobicContact CG-CD1 3.88Å; F438-L445 HydrophobicContact CB-CD2 4.48Å; K440-L445 HydrophobicContact CB-CD2 3.9Å; K440-L445 HydrophobicContact CB-CG 3.99Å; K440-L445 HydrophobicContact CG-CD2 4.29Å; E441-L445 PolarHBondContact O-N 3.12Å; D442-L445 PolarHBondContact O-N 3.42Å; D442-L445 VanDerWaalsContact O-N 3.08Å; L445-A448 PolarHBondContact O-N 2.86Å; L445-G449 PolarHBondContact O-N 3Å
446	E	94.9	Very high	91.8	Very high	117 Å²	117	45.4 Å²	45.4	55%	0.547	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-47.3	172.6	-74.4	174	178.2	0	0	111	D442 A448 G449 D450	D442-E446 WeakPolarHBondContact O-CB 3.4Å; D442-E446 WeakPolarHBondContact O-CG 3.45Å; D442-E446 PolarHBondContact O-N 3.49Å; E446-A448 VanDerWaalsContact C-N 3.32Å; E446-A448 PolarHBondContact O-N 3.38Å; E446-G449 CarbonylContact O-C 3.59Å; E446-G449 WeakPolarHBondContact O-CA 3.43Å; E446-G449 PolarHBondContact O-N 2.83Å; E446-D450 PolarHBondContact O-N 3.29Å
447	A	95.5	Very high	89.6	Confident	37 Å²	37	53 Å²	53	31%	0.306	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-40.2	176.1	0	0	0	0	0	112.3	V73 S443 T444 G449 D450 I451	V73-A447 HydrophobicContact CG2-CB 3.85Å; S443-A447 WeakPolarHBondContact O-CB 3.43Å; S443-A447 PolarHBondContact O-N 2.96Å; T444-A447 PolarHBondContact O-N 3.23Å; A447-G449 VanDerWaalsContact C-N 3.33Å; A447-D450 PolarHBondContact O-N 3.32Å; A447-I451 WeakPolarHBondContact O-CG1 3.34Å; A447-I451 PolarHBondContact O-N 2.98Å
448	A	95.5	Very high	86.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-40.4	171.6	0	0	0	0	0	111.7	V73 L75 L413 T444 L445 E446 D450 I451 L452	V73-A448 HydrophobicContact CG1-CB 3.94Å; L75-A448 HydrophobicContact CD1-CB 3.72Å; L75-A448 HydrophobicContact CG-CB 4.35Å; L413-A448 HydrophobicContact CD1-CB 3.98Å; T444-A448 PolarHBondContact O-N 3.24Å; L445-A448 PolarHBondContact O-N 2.86Å; E446-A448 VanDerWaalsContact C-N 3.32Å; E446-A448 PolarHBondContact O-N 3.38Å; A448-D450 PolarHBondContact O-N 3.33Å; A448-I451 PolarHBondContact O-N 3.25Å; A448-L452 WeakPolarHBondContact O-CB 3.38Å; A448-L452 VanDerWaalsContact O-CG 3.27Å; A448-L452 WeakPolarHBondContact O-CG 3.47Å; A448-L452 PolarHBondContact O-N 2.97Å
449	G	93.3	Very high	86.3	Confident	2 Å²	2	64.7 Å²	64.7	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-40.7	175.3	0	0	0	0	0	113.5	L445 E446 A447 L452 K453	L445-G449 PolarHBondContact O-N 3Å; E446-G449 CarbonylContact O-C 3.59Å; E446-G449 WeakPolarHBondContact O-CA 3.43Å; E446-G449 PolarHBondContact O-N 2.83Å; A447-G449 VanDerWaalsContact C-N 3.33Å; G449-L452 PolarHBondContact O-N 3.38Å; G449-K453 WeakPolarHBondContact O-CB 3.4Å; G449-K453 VanDerWaalsContact O-CG 3.25Å; G449-K453 WeakPolarHBondContact O-CG 3.25Å; G449-K453 PolarHBondContact O-N 3.32Å
450	D	93.9	Very high	85.7	Confident	95 Å²	95	68 Å²	68	51%	0.508	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-39	176.8	-73.3	-18.3	0	0	0	112.3	E446 A447 A448 N454	E446-D450 PolarHBondContact O-N 3.29Å; A447-D450 PolarHBondContact O-N 3.32Å; A448-D450 PolarHBondContact O-N 3.33Å; D450-N454 PolarHBondContact O-N 3.33Å; D450-N454 PolarHBondContact O-ND2 3.28Å
451	I	93.5	Very high	85.1	Confident	36 Å²	36	71.6 Å²	71.6	19%	0.185	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-48.9	172.3	-66.6	167.2	0	0	0	110.2	V73 K411 L413 A447 A448 N454 W455	V73-I451 HydrophobicContact CB-CD1 4Å; V73-I451 HydrophobicContact CG2-CD1 3.64Å; K411-I451 HydrophobicContact CB-CG2 4.15Å; K411-I451 WeakPolarHBondContact O-CG2 3.35Å; L413-I451 HydrophobicContact CB-CD1 4.4Å; L413-I451 HydrophobicContact CB-CG2 4.26Å; A447-I451 WeakPolarHBondContact O-CG1 3.34Å; A447-I451 PolarHBondContact O-N 2.98Å; A448-I451 PolarHBondContact O-N 3.25Å; I451-N454 PolarHBondContact O-N 2.9Å; I451-W455 PolarHBondContact O-N 3.35Å
452	L	89.3	Confident	84.5	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-68.1	-36.7	-175.7	-73.6	167.3	0	0	0	112.9	I362 L363 A366 M368 L413 A448 G449 N454 W455	I362-L452 HydrophobicContact CG2-CB 3.86Å; I362-L452 HydrophobicContact CG2-CD1 3.53Å; I362-L452 HydrophobicContact CG2-CG 4.34Å; L363-L452 HydrophobicContact CD2-CD1 3.86Å; L363-L452 HydrophobicContact CD2-CD2 4.38Å; A366-L452 HydrophobicContact CB-CB 4Å; A366-L452 HydrophobicContact CB-CD2 4.06Å; M368-L452 HydrophobicContact CE-CD2 3.68Å; M368-L452 HydrophobicContact SD-CD2 4.4Å; L413-L452 HydrophobicContact CD2-CD1 4.34Å; L413-L452 HydrophobicContact CD2-CD2 4.05Å; L413-L452 HydrophobicContact CD2-CG 4.12Å; A448-L452 WeakPolarHBondContact O-CB 3.38Å; A448-L452 VanDerWaalsContact O-CG 3.27Å; A448-L452 WeakPolarHBondContact O-CG 3.47Å; A448-L452 PolarHBondContact O-N 2.97Å; G449-L452 PolarHBondContact O-N 3.38Å; L452-N454 VanDerWaalsContact C-N 3.32Å; L452-N454 PolarHBondContact O-N 3.17Å; L452-W455 HydrophobicContact CD2-CE3 3.65Å; L452-W455 HydrophobicContact CD2-CZ3 3.79Å; L452-W455 WeakPolarHBondContact O-CB 3.03Å; L452-W455 PolarHBondContact O-N 3.21Å; L452-W455 VanDerWaalsContact O-N 3.17Å
453	K	83.8	Confident	83.7	Confident	114 Å²	114	69.1 Å²	69.1	50%	0.496	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-33.5	175.1	-75.9	169.2	-175.1	168.8	0	112.8	G449 W455	G449-K453 WeakPolarHBondContact O-CB 3.4Å; G449-K453 VanDerWaalsContact O-CG 3.25Å; G449-K453 WeakPolarHBondContact O-CG 3.25Å; G449-K453 PolarHBondContact O-N 3.32Å; K453-W455 VanDerWaalsContact C-N 3.26Å
454	N	80.4	Confident	82.9	Confident	84 Å²	84	69.6 Å²	69.6	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-81.7	-7.3	177.3	-68.3	-41.1	0	0	0	112.8	D450 I451 L452 R456 K457	D450-N454 PolarHBondContact O-N 3.33Å; D450-N454 PolarHBondContact O-ND2 3.28Å; I451-N454 PolarHBondContact O-N 2.9Å; L452-N454 VanDerWaalsContact C-N 3.32Å; L452-N454 PolarHBondContact O-N 3.17Å; N454-R456 VanDerWaalsContact C-N 3.31Å; N454-R456 PolarHBondContact O-N 3.35Å; N454-K457 PolarHBondContact O-N 3.44Å
455	W	74.5	Confident	82	Confident	23 Å²	23	72.6 Å²	72.6	9%	0.087	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.2	-179.6	-159.9	-61.5	0	0	0	113.3	M368 L386 F403 W406 M407 K411 I451 L452 K453	M368-W455 HydrophobicContact CE-CD2 4.35Å; M368-W455 HydrophobicContact CE-CE3 4.13Å; M368-W455 HydrophobicContact CE-CH2 3.43Å; M368-W455 VanDerWaalsContact CE-CH2 3.43Å; M368-W455 HydrophobicContact CE-CZ2 3.72Å; M368-W455 HydrophobicContact CE-CZ3 3.67Å; L386-W455 HydrophobicContact CD1-CZ2 3.71Å; F403-W455 HydrophobicContact CE1-CH2 4.35Å; F403-W455 HydrophobicContact CE2-CZ2 4.44Å; F403-W455 AromaticContact CZ-CH2 3.96Å; F403-W455 HydrophobicContact CZ-CH2 3.96Å; F403-W455 AromaticContact CZ-CZ2 3.75Å; F403-W455 HydrophobicContact CZ-CZ2 3.75Å; W406-W455 HydrophobicContact CH2-CH2 4.32Å; W406-W455 AromaticContact CH2-CZ2 3.62Å; W406-W455 HydrophobicContact CH2-CZ2 3.62Å; W406-W455 AromaticContact CZ3-CH2 3.86Å; W406-W455 HydrophobicContact CZ3-CH2 3.86Å; W406-W455 AromaticContact CZ3-CZ2 3.44Å; W406-W455 HydrophobicContact CZ3-CZ2 3.44Å; W406-W455 VanDerWaalsContact CZ3-CZ2 3.44Å; M407-W455 HydrophobicContact CB-CH2 4.46Å; M407-W455 HydrophobicContact CG-CH2 3.68Å; M407-W455 HydrophobicContact CG-CZ3 3.96Å; M407-W455 HydrophobicContact SD-CH2 3.68Å; M407-W455 HydrophobicContact SD-CZ3 3.99Å; K411-W455 HydrophobicContact CB-CZ3 4.25Å; K411-W455 HydrophobicContact CG-CE3 4.23Å; K411-W455 HydrophobicContact CG-CH2 4.23Å; K411-W455 HydrophobicContact CG-CZ3 4.04Å; I451-W455 PolarHBondContact O-N 3.35Å; L452-W455 HydrophobicContact CD2-CE3 3.65Å; L452-W455 HydrophobicContact CD2-CZ3 3.79Å; L452-W455 WeakPolarHBondContact O-CB 3.03Å; L452-W455 PolarHBondContact O-N 3.21Å; L452-W455 VanDerWaalsContact O-N 3.17Å; K453-W455 VanDerWaalsContact C-N 3.26Å
456	R	62.8	Low	80.9	Confident	165 Å²	165	78.2 Å²	78.2	62%	0.623	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5	-179.6	-70.6	-170	178.7	-168	9.1	114.9	E365 A366 N454 V458	E365-R456 VanDerWaalsContact O-CZ 3.32Å; E365-R456 PolarHBondContact O-NE 3.39Å; E365-R456 PolarHBondContact O-NH2 3.08Å; A366-R456 PolarHBondContact O-NE 3.26Å; N454-R456 VanDerWaalsContact C-N 3.31Å; N454-R456 PolarHBondContact O-N 3.35Å; R456-V458 VanDerWaalsContact C-N 3.3Å
457	K	53.1	Low	79.7	Confident	161 Å²	161	74.9 Å²	74.9	70%	0.7	37%	0.373	S	S	*	.			trans	-88.9	8.6	-175.9	-69.5	-175.8	-177	168	0	113.6	N454	N454-K457 PolarHBondContact O-N 3.44Å
458	V	41.2	Very low	78.3	Confident	180 Å²	180	78.4 Å²	78.4	100%	1.091	38%	0.379	S	S	*	.			trans	-122.9	0	-178.7	-175.9	0	0	0	0	110.1	R456	R456-V458 VanDerWaalsContact C-N 3.3Å

Retrieved 458 of 458 residues in 353.6 ms (Link to these results)

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