A0A087X4W4_POEFO Loading...

F-box and WD repeat domain containing 11a

Substrate recognition component of a SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Probably recognizes and binds to phosphorylated target proteins: the interaction with substrates requires the phosphorylation of the two serine residues in the substrates' destruction motif D-S-G-X(2,3,4)-S. SCF(FBXW11) mediates the ubiquitination of phosphorylated CTNNB1 and participates in Wnt signaling regulation. Participates in Wnt signaling regulation, and plays a role in eye and jaw development. SCF(FBXW11) plays a key role in NF-kappa-B activation by mediating ubiquitination of phosphorylated NFKBIA, leading to its degradation by the proteasome, thereby allowing the associated NF-kappa-B complex to translocate into the nucleus and to activate transcription.

AlphaFold DB , UniProt , Accession A0A087X4W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 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	34.4	Very low	30.9	Very low	240 Å²	240	164.6 Å²	164.6	100%	1.182	83%	0.829	S	S	*	*				0	137.9	0	-152.7	171.5	-166.5	0	0	105.3
2	E	24.6	Very low	30.8	Very low	189 Å²	189	162.9 Å²	162.9	88%	0.883	82%	0.822	S	S	*	*			trans	66.3	148.8	-153.3	-61.8	-162.3	149.8	0	0	113.2
3	P	34.1	Very low	30.8	Very low	115 Å²	115	162.8 Å²	162.8	75%	0.747	82%	0.82	S	S	*	*				-132.3	171.5	-126.5	42.9	-29	0	0	0	117.1
4	E	31.7	Very low	31	Very low	195 Å²	195	160.1 Å²	160.1	91%	0.911	82%	0.822	S	S	*	*			trans	-70.9	139.3	168.8	-59.9	158.8	131.5	0	0	111.4
5	M	32.6	Very low	31.1	Very low	175 Å²	175	155.9 Å²	155.9	86%	0.862	81%	0.812	S	S	*	*			trans	-156.5	52.9	172.3	-156.7	-159	-44.7	0	0	114.1
6	E	31.8	Very low	31	Very low	193 Å²	193	152.4 Å²	152.4	90%	0.902	80%	0.799	S	S	*	*			trans	-145.1	49.4	177.5	-147.9	161.9	-132.5	0	0	114.6
7	D	31.7	Very low	30.8	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	79%	0.785	S	S	*	*			trans	-141.5	56.4	172.7	-159.6	9.3	0	0	0	112.8
8	K	28.6	Very low	31	Very low	180 Å²	180	153.4 Å²	153.4	78%	0.783	79%	0.791	S	S	*	*			trans	-135.9	7.1	176.5	-81.3	-163.9	171.5	-176	0	115.5
9	T	30.1	Very low	31	Very low	113 Å²	113	150.4 Å²	150.4	69%	0.693	79%	0.785	S	S	*	*	S	Bend	trans	-90.4	-13.7	176.1	40.8	0	0	0	0	113.3
10	V	31.6	Very low	31.1	Very low	101 Å²	101	149.4 Å²	149.4	61%	0.612	78%	0.78	S	S	*	*	S	Bend	trans	-85.9	-40.5	-172.8	-175.3	0	0	0	0	113.2	L12 M13	V10-L12 PolarHBondContact O-N 2.91Å; V10-M13 PolarHBondContact O-N 2.92Å
11	E	28.3	Very low	31.1	Very low	175 Å²	175	152.8 Å²	152.8	82%	0.818	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-67.6	-17.2	-175.3	-69.6	-164.7	120.3	0	0	114.6	M13	E11-M13 VanDerWaalsContact C-N 3.31Å; E11-M13 PolarHBondContact O-N 2.94Å
12	L	29.7	Very low	30.9	Very low	144 Å²	144	148.4 Å²	148.4	75%	0.754	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-80.3	-1.3	-177.6	-100.9	156.1	0	0	0	114.9	V10	V10-L12 PolarHBondContact O-N 2.91Å
13	M	31.1	Very low	31.1	Very low	161 Å²	161	141.9 Å²	141.9	79%	0.793	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-98.8	-3.6	-179.2	-66.8	-150.7	-177.7	0	0	115.7	V10 E11	V10-M13 PolarHBondContact O-N 2.92Å; E11-M13 VanDerWaalsContact C-N 3.31Å; E11-M13 PolarHBondContact O-N 2.94Å
14	C	33.5	Very low	31	Very low	125 Å²	125	141.6 Å²	141.6	85%	0.845	75%	0.746	S	S	*	*	S	Bend	trans	-94.7	14.7	-172.6	-73.5	0	0	0	0	116.2
15	S	32.5	Very low	30.8	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	73%	0.732	S	S	*	*			trans	-122.2	16.2	-171.5	55.5	0	0	0	0	116
16	V	30.4	Very low	30.8	Very low	100 Å²	100	131.6 Å²	131.6	61%	0.606	72%	0.715	S	S	*	*			trans	-101.9	124.2	176.9	-174.1	0	0	0	0	111.5
17	P	27.7	Very low	31	Very low	85 Å²	85	127 Å²	127	55%	0.552	70%	0.7	S	S	*	*			trans	-63.5	141	178.6	-25.3	35.5	0	0	0	114.4	S19	P17-S19 PolarHBondContact O-N 2.8Å
18	R	33.5	Very low	31	Very low	238 Å²	238	124.3 Å²	124.3	90%	0.898	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-65.3	-5.3	-179.9	-84.3	-177.2	169	175.7	-3.4	115.8	L20	R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.04Å
19	S	30.5	Very low	31.1	Very low	96 Å²	96	123.6 Å²	123.6	67%	0.671	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-68.7	-23.1	-177.8	44.7	0	0	0	0	114.4	P17 W21	P17-S19 PolarHBondContact O-N 2.8Å; S19-W21 PolarHBondContact O-N 3.28Å
20	L	32.8	Very low	31.1	Very low	131 Å²	131	121.9 Å²	121.9	69%	0.686	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-77.7	-12.7	-175.9	-84.6	159.6	0	0	0	115.3	R18	R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.04Å
21	W	31.4	Very low	31.2	Very low	221 Å²	221	123.3 Å²	123.3	84%	0.837	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-91.8	-7.1	-170.8	-84.8	87.4	0	0	0	115.9	S19	S19-W21 PolarHBondContact O-N 3.28Å
22	L	30.6	Very low	31.3	Very low	147 Å²	147	120.3 Å²	120.3	77%	0.77	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-89.9	-3	-176.1	-78.1	163.9	0	0	0	114.7
23	G	29.3	Very low	31.3	Very low	52 Å²	52	117.5 Å²	117.5	54%	0.536	69%	0.686	S	S	.	*	S	Bend	trans	-85.6	-20.4	-175.9	0	0	0	0	0	116.2
24	C	31.1	Very low	31.3	Very low	109 Å²	109	117 Å²	117	74%	0.736	69%	0.686	S	S	*	*	S	Bend	trans	-89.1	-6.6	-164.6	-63.5	0	0	0	0	115.8
25	S	29.1	Very low	31.2	Very low	89 Å²	89	122.4 Å²	122.4	62%	0.622	69%	0.689	S	S	*	*	S	Bend	trans	-83.9	-34	-174.3	48.5	0	0	0	0	114.8	V27	S25-V27 PolarHBondContact O-N 3.23Å
26	S	31.6	Very low	31.1	Very low	71 Å²	71	123.2 Å²	123.2	50%	0.497	69%	0.693	S	S	.	*	H	α-helix	trans	-77.5	-15.3	-170.6	60.3	0	0	0	0	115.3	A28 S30	S26-A28 VanDerWaalsContact C-N 3.34Å; S26-S30 PolarHBondContact O-OG 2.64Å
27	V	35	Very low	31	Very low	98 Å²	98	126.4 Å²	126.4	59%	0.594	71%	0.706	S	S	*	*	H	α-helix	trans	-70.9	-31.3	-177.8	-174.2	0	0	0	0	111.6	S25	S25-V27 PolarHBondContact O-N 3.23Å
28	A	31.9	Very low	31	Very low	77 Å²	77	131.7 Å²	131.7	64%	0.636	72%	0.723	S	S	*	*	H	α-helix	trans	-71.1	-41.5	-177.2	0	0	0	0	0	113.2	S26	S26-A28 VanDerWaalsContact C-N 3.34Å
29	E	31.9	Very low	30.7	Very low	166 Å²	166	125.5 Å²	125.5	78%	0.776	72%	0.717	S	S	*	*	H	α-helix	trans	-74.1	-30.2	-176	-60.7	-172.2	137.7	0	0	112.6	L31 C32	E29-L31 PolarHBondContact O-N 3.33Å; E29-C32 PolarHBondContact O-N 2.96Å
30	S	30.7	Very low	30.5	Very low	77 Å²	77	128.9 Å²	128.9	54%	0.538	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-20.7	-175.4	-62.6	0	0	0	0	114.2	S26	S26-S30 PolarHBondContact O-OG 2.64Å
31	L	33.3	Very low	30.3	Very low	131 Å²	131	128.3 Å²	128.3	69%	0.686	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-16.5	-174.9	-76.2	166.2	0	0	0	114.5	E29	E29-L31 PolarHBondContact O-N 3.33Å
32	C	29.7	Very low	30	Very low	112 Å²	112	123.4 Å²	123.4	76%	0.757	73%	0.729	S	S	*	*	S	Bend	trans	-77.8	-24.7	177.8	-80.7	0	0	0	0	113.9	E29 L34	E29-C32 PolarHBondContact O-N 2.96Å; C32-L34 PolarHBondContact O-N 3.32Å
33	A	30.7	Very low	29.8	Very low	84 Å²	84	123.3 Å²	123.3	69%	0.694	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-74.1	-20	-172.3	0	0	0	0	0	114.7	R35	A33-R35 PolarHBondContact O-N 2.72Å
34	L	30.7	Very low	29.6	Very low	152 Å²	152	132.7 Å²	132.7	80%	0.796	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-91.8	8	-165.8	-88.8	160.9	0	0	0	116	C32	C32-L34 PolarHBondContact O-N 3.32Å
35	R	31.7	Very low	29.3	Very low	237 Å²	237	132 Å²	132	89%	0.894	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-102.7	3.1	-177.1	-83.8	-169.7	171.8	-163.3	-1.8	116.8	A33	A33-R35 PolarHBondContact O-N 2.72Å
36	C	28.6	Very low	29.1	Very low	115 Å²	115	136.3 Å²	136.3	78%	0.777	77%	0.766	S	S	*	*	S	Bend	trans	-106.1	12	-172.8	-70.6	0	0	0	0	116.6
37	L	28.4	Very low	28.7	Very low	166 Å²	166	139.5 Å²	139.5	87%	0.869	78%	0.778	S	S	*	*	S	Bend	trans	-130.6	28	-171.3	-87.5	171.1	0	0	0	116.4
38	Q	29.1	Very low	28.2	Very low	196 Å²	196	143.5 Å²	143.5	92%	0.916	79%	0.79	S	S	*	*			trans	-135.7	70.8	172.8	-71.7	-167.1	-16.8	0	0	113.2
39	S	26.8	Very low	27.8	Very low	109 Å²	109	145.1 Å²	145.1	76%	0.762	79%	0.792	S	S	*	*			trans	-157.5	59	173.3	65.9	0	0	0	0	114.8
40	I	26.9	Very low	27.4	Very low	166 Å²	166	143.2 Å²	143.2	85%	0.851	79%	0.792	S	S	*	*			trans	-135.7	121.2	163.8	-55.5	-179.4	0	0	0	109.4
41	P	27.3	Very low	27.1	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	81%	0.807	S	S	*	*			trans	-88.4	162.2	174.2	35.4	-33.6	0	0	0	112.5
42	S	25.6	Very low	26.7	Very low	119 Å²	119	142.4 Å²	142.4	83%	0.832	81%	0.808	S	S	*	*			trans	-104.4	130.2	-177.5	58	0	0	0	0	113.7
43	T	25.7	Very low	26.4	Very low	145 Å²	145	145.1 Å²	145.1	89%	0.89	81%	0.811	S	S	*	*			trans	-142.5	154.8	171.7	26	0	0	0	0	113.8
44	R	25	Very low	26.1	Very low	248 Å²	248	148.8 Å²	148.8	94%	0.936	81%	0.814	S	S	*	*			trans	-46.5	155.5	-168	-76.1	170.5	161.4	161.5	-6.6	119.1
45	A	25	Very low	25.8	Very low	94 Å²	94	145.3 Å²	145.3	78%	0.777	80%	0.803	S	S	*	*			trans	-68.9	162.4	173.6	0	0	0	0	0	116
46	H	24.9	Very low	25.5	Very low	181 Å²	181	141.9 Å²	141.9	84%	0.838	80%	0.797	S	S	*	*			trans	-155.1	-176.7	131.8	-120.6	-25	0	0	0	113.1
47	N	23.2	Very low	25.3	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	79%	0.793	S	S	*	*			trans	-92.2	154.4	-165.5	-51.9	-23.4	0	0	0	113.9
48	Q	25.6	Very low	25.2	Very low	181 Å²	181	140.5 Å²	140.5	85%	0.846	79%	0.786	S	S	*	*			trans	164.8	110.1	134.4	-92.5	171	11.8	0	0	110
49	T	22.6	Very low	25.1	Very low	111 Å²	111	136.7 Å²	136.7	68%	0.681	78%	0.776	S	S	*	*				82.9	114.2	82.3	54.9	0	0	0	0	117.3
50	T	23.4	Very low	25.1	Very low	126 Å²	126	138 Å²	138	77%	0.773	78%	0.775	S	S	*	*			trans	71.9	141.3	138.9	54.5	0	0	0	0	123.4
51	S	24.7	Very low	25	Very low	123 Å²	123	136.2 Å²	136.2	86%	0.86	77%	0.766	S	S	*	*			trans	72.3	140.2	160.6	69.9	0	0	0	0	118.2
52	G	24.3	Very low	25	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	77%	0.767	S	S	*	*			cis	164.9	157.7	-9	0	0	0	0	0	114.1
53	M	24.3	Very low	24.9	Very low	170 Å²	170	136.7 Å²	136.7	84%	0.837	76%	0.76	S	S	*	*			trans	63.4	123.3	167.7	-75.3	170.5	161	0	0	117
54	E	23.8	Very low	25.5	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	75%	0.75	S	S	*	*				77	140.8	64.7	-73.4	-177.2	166.4	0	0	113.6
55	S	25.4	Very low	25.6	Very low	79 Å²	79	131.6 Å²	131.6	55%	0.552	74%	0.743	S	S	*	*			cis	-171.9	164.4	-13	58.1	0	0	0	0	112.3
56	Q	25.3	Very low	25.7	Very low	165 Å²	165	136.6 Å²	136.6	77%	0.771	75%	0.747	S	S	*	*			trans	63.9	168.3	152.8	-68.1	160.2	33.9	0	0	116.9
57	T	24.7	Very low	25.6	Very low	114 Å²	114	134.4 Å²	134.4	70%	0.699	75%	0.747	S	S	*	*			cis	-122	146.3	2.1	23.8	0	0	0	0	110.3
58	L	25.1	Very low	25.7	Very low	138 Å²	138	134.2 Å²	134.2	72%	0.723	75%	0.751	S	S	*	*				59.7	143.7	74.6	-56.5	-173.8	0	0	0	113.7
59	V	27.7	Very low	25.6	Very low	115 Å²	115	133.1 Å²	133.1	70%	0.697	75%	0.747	S	S	*	*			cis	-148.5	-177.2	7.1	-121.8	0	0	0	0	108.1
60	D	26.4	Very low	25.7	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	75%	0.748	S	S	*	*			cis	-159.8	-172.8	9.9	-128.5	-30.4	0	0	0	108.2
61	D	24.9	Very low	25.7	Very low	127 Å²	127	136.2 Å²	136.2	68%	0.679	75%	0.75	S	S	*	*			cis	-157	-163.8	-6.6	177.5	23.8	0	0	0	106.3
62	L	27.5	Very low	25.8	Very low	149 Å²	149	138.9 Å²	138.9	78%	0.78	75%	0.754	S	S	*	*			trans	80.9	71.5	159.1	-63.8	178.4	0	0	0	117.8
63	S	23.3	Very low	25.8	Very low	99 Å²	99	141.4 Å²	141.4	69%	0.692	76%	0.756	S	S	*	*			trans	-62.2	-172.2	148.3	76.4	0	0	0	0	112.6
64	P	38	Very low	26.1	Very low	103 Å²	103	141.7 Å²	141.7	67%	0.669	76%	0.761	S	S	*	*			cis	-134	-168.4	4.2	29.4	-2	0	0	0	112.6
65	K	26.9	Very low	26.2	Very low	184 Å²	184	137 Å²	137	80%	0.8	76%	0.755	S	S	*	*			cis	-152.9	138.6	29.7	-68	170.3	179.5	169.8	0	114.4
66	K	27.6	Very low	26.8	Very low	198 Å²	198	139.3 Å²	139.3	86%	0.861	77%	0.768	S	S	*	*			trans	45.9	98.4	139.7	-62.3	-169.9	175.2	-173.2	0	120
67	T	22.7	Very low	27.1	Very low	135 Å²	135	138 Å²	138	83%	0.828	77%	0.771	S	S	*	*			trans	-66.6	147.6	144.8	-46.5	0	0	0	0	110.9
68	T	26	Very low	27.7	Very low	134 Å²	134	140.1 Å²	140.1	82%	0.822	78%	0.777	S	S	*	*			trans	-124.8	126.6	159.9	-53.1	0	0	0	0	108.5
69	M	23.9	Very low	27.9	Very low	158 Å²	158	136.6 Å²	136.6	78%	0.778	77%	0.774	S	S	*	*			trans	-85.4	165.5	179.6	-64	169.4	66.5	0	0	111.7
70	V	24.4	Very low	28.2	Very low	113 Å²	113	135.9 Å²	135.9	69%	0.685	77%	0.774	S	S	*	*				160.9	136.4	114.6	159.1	0	0	0	0	112.3
71	K	23	Very low	28.7	Very low	189 Å²	189	140.8 Å²	140.8	82%	0.822	78%	0.782	S	S	*	*			trans	59.9	118	164.3	-74.2	160.8	-169.1	175.6	0	119.5
72	L	26.5	Very low	29.3	Very low	179 Å²	179	143.8 Å²	143.8	94%	0.937	79%	0.789	S	S	*	*			trans	-98.9	139.2	146.6	-93	149.3	0	0	0	108.8
73	T	24.4	Very low	29.9	Very low	122 Å²	122	146.4 Å²	146.4	75%	0.748	79%	0.789	S	S	*	*			trans	-122	144.3	173	47.2	0	0	0	0	109.8
74	N	30.4	Very low	30.9	Very low	176 Å²	176	146.7 Å²	146.7	94%	0.941	79%	0.788	S	S	*	*			trans	-63.4	138.6	-176.1	-75.1	-16.2	0	0	0	113.2
75	G	26	Very low	31.4	Very low	62 Å²	62	145.6 Å²	145.6	64%	0.639	78%	0.783	S	S	*	*			trans	-166	122.2	167.1	0	0	0	0	0	109.9
76	P	37.8	Very low	32.7	Very low	127 Å²	127	143 Å²	143	83%	0.825	77%	0.774	S	S	*	*			trans	-83	130.5	-176.4	31.8	-33	0	0	0	111.6
77	V	31.4	Very low	34	Very low	137 Å²	137	136.2 Å²	136.2	83%	0.83	76%	0.759	S	S	*	*			trans	-116	102.9	168.8	-178.9	0	0	0	0	109	G79	V77-G79 VanDerWaalsContact C-N 3.28Å; V77-G79 PolarHBondContact O-N 3.2Å
78	I	38.5	Very low	36.2	Very low	159 Å²	159	133.8 Å²	133.8	82%	0.815	74%	0.741	S	S	*	*			trans	-75.4	85.2	173.2	-61.6	176	0	0	0	108.1	S80	I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.47Å
79	G	29.1	Very low	38.4	Very low	64 Å²	64	134 Å²	134	66%	0.66	73%	0.728	S	S	*	*			trans	-72.7	76.2	175.9	0	0	0	0	0	112	V77 R81	V77-G79 VanDerWaalsContact C-N 3.28Å; V77-G79 PolarHBondContact O-N 3.2Å; G79-R81 PolarHBondContact O-N 3.15Å
80	S	34.5	Very low	40.7	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	71%	0.71	S	S	*	*			trans	-64.4	95.7	176.8	-174.8	0	0	0	0	111.3	I78 K82	I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.47Å; S80-K82 PolarHBondContact O-N 2.9Å
81	R	35.4	Very low	43.1	Very low	240 Å²	240	132.6 Å²	132.6	91%	0.906	71%	0.71	S	S	*	*			trans	-67.6	98.4	162.1	-81.2	-173.4	171.4	-177.9	-2.4	108	G79 R83	G79-R81 PolarHBondContact O-N 3.15Å; R81-R83 PolarHBondContact O-N 3.19Å
82	K	37.6	Very low	45.8	Very low	190 Å²	190	128.8 Å²	128.8	83%	0.826	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-48.5	128.5	165.6	-70.2	-177.4	175.9	-178.5	0	108.7	S80	S80-K82 PolarHBondContact O-N 2.9Å
83	R	40.5	Very low	48.3	Very low	204 Å²	204	123.7 Å²	123.7	77%	0.77	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-59.7	141.7	162	-72.2	-174.2	177.8	-174.6	0.3	108.2	R81 E86	R81-R83 PolarHBondContact O-N 3.19Å; R83-E86 IonicContact NH1-OE1 3.11Å
84	P	44.5	Very low	51	Low	105 Å²	105	123.5 Å²	123.5	68%	0.682	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-53.9	146.5	159.6	-21.2	33.4	0	0	0	109.6	E86	P84-E86 PolarHBondContact O-N 3.32Å
85	S	48.9	Very low	53.4	Low	80 Å²	80	120.9 Å²	120.9	56%	0.559	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-65	124.3	173.8	47.8	0	0	0	0	109.8	G87 N88 Y89	S85-G87 PolarHBondContact O-N 3.24Å; S85-G87 VanDerWaalsContact O-N 3.13Å; S85-N88 PolarHBondContact O-N 3.32Å; S85-Y89 PolarHBondContact O-N 3.4Å
86	E	52.9	Low	56.1	Low	131 Å²	131	121.6 Å²	121.6	61%	0.612	63%	0.632	S	S	*	*	H	α-helix	trans	-54	-38.1	-172.4	-69.1	160.3	171.5	0	0	111.9	R83 P84 N88 Y89 E90	R83-E86 IonicContact NH1-OE1 3.11Å; P84-E86 PolarHBondContact O-N 3.32Å; E86-N88 PolarHBondContact O-N 3.07Å; E86-N88 VanDerWaalsContact O-N 3.15Å; E86-Y89 PolarHBondContact O-N 3.31Å; E86-E90 PolarHBondContact O-N 3.04Å; E86-E90 VanDerWaalsContact O-N 3.09Å
87	G	56.5	Low	58.3	Low	54 Å²	54	119.2 Å²	119.2	56%	0.557	61%	0.611	S	S	*	*	H	α-helix	trans	-67.4	-7.4	175.8	0	0	0	0	0	117.5	S85	S85-G87 PolarHBondContact O-N 3.24Å; S85-G87 VanDerWaalsContact O-N 3.13Å
88	N	67.4	Low	60.7	Low	84 Å²	84	114.8 Å²	114.8	45%	0.449	59%	0.59	S	S	.	*	H	α-helix	trans	-93.8	-44.6	167.5	-114.7	64.7	0	0	0	110.9	S85 E86 E90 K91 E92	S85-N88 PolarHBondContact O-N 3.32Å; E86-N88 PolarHBondContact O-N 3.07Å; E86-N88 VanDerWaalsContact O-N 3.15Å; N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 3.16Å; N88-K91 PolarHBondContact O-N 3.44Å; N88-E92 PolarHBondContact ND2-OE1 3.05Å; N88-E92 WeakPolarHBondContact O-CG 3.44Å; N88-E92 PolarHBondContact O-N 3.23Å
89	Y	72.8	Confident	62.8	Low	139 Å²	139	110.2 Å²	110.2	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-54.6	-45.3	177.4	172.2	-102.3	0	0	0	111.4	S85 E86 K91 E92 K93	S85-Y89 PolarHBondContact O-N 3.4Å; E86-Y89 PolarHBondContact O-N 3.31Å; Y89-K91 VanDerWaalsContact C-N 3.31Å; Y89-K91 PolarHBondContact O-N 2.56Å; Y89-E92 PolarHBondContact O-N 3.22Å; Y89-K93 HydrophobicContact CE1-CD 4.09Å; Y89-K93 WeakPolarHBondContact O-CB 3.46Å; Y89-K93 PolarHBondContact O-N 2.76Å
90	E	71.7	Confident	65.5	Low	84 Å²	84	109.7 Å²	109.7	39%	0.393	55%	0.546	S	S	.	.	H	α-helix	trans	-60	-38.5	178.1	-122.9	57.4	-132.3	0	0	112.6	E86 N88 K93 E94	E86-E90 PolarHBondContact O-N 3.04Å; E86-E90 VanDerWaalsContact O-N 3.09Å; N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 3.16Å; E90-K93 VanDerWaalsContact OE1-CD 3.31Å; E90-K93 WeakPolarHBondContact OE1-CD 3.49Å; E90-K93 WeakPolarHBondContact OE1-CE 3.27Å; E90-K93 IonicContact OE1-NZ 3.98Å; E90-K93 PolarHBondContact OE1-NZ 3.06Å; E90-E94 WeakPolarHBondContact O-CG 3.47Å; E90-E94 PolarHBondContact O-N 3.41Å
91	K	76.4	Confident	67.9	Low	158 Å²	158	110.1 Å²	110.1	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-73.6	-40.5	178.1	-68.5	-178.5	178.4	-179.8	0	113	N88 Y89 K93 E94 H95	N88-K91 PolarHBondContact O-N 3.44Å; Y89-K91 VanDerWaalsContact C-N 3.31Å; Y89-K91 PolarHBondContact O-N 2.56Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K91-E94 PolarHBondContact O-N 3.13Å; K91-H95 WeakPolarHBondContact O-CB 3.39Å; K91-H95 PolarHBondContact O-N 3.04Å
92	E	78.3	Confident	70.3	Confident	108 Å²	108	105.7 Å²	105.7	51%	0.505	53%	0.53	S	S	.	.	H	α-helix	trans	-66.5	-37.3	177	-70.3	163.9	-153.4	0	0	110.8	N88 Y89 C96	N88-E92 PolarHBondContact ND2-OE1 3.05Å; N88-E92 WeakPolarHBondContact O-CG 3.44Å; N88-E92 PolarHBondContact O-N 3.23Å; Y89-E92 PolarHBondContact O-N 3.22Å; E92-C96 WeakPolarHBondContact O-CB 3.42Å; E92-C96 PolarHBondContact O-N 3.46Å; E92-C96 PolarHBondContact O-SG 3.33Å
93	K	78.7	Confident	72.8	Confident	73 Å²	73	101 Å²	101	32%	0.317	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-53.3	171.3	168.7	-167.2	162.7	-127.3	0	112.2	Y89 E90 K91 H95 C96 I97	Y89-K93 HydrophobicContact CE1-CD 4.09Å; Y89-K93 WeakPolarHBondContact O-CB 3.46Å; Y89-K93 PolarHBondContact O-N 2.76Å; E90-K93 VanDerWaalsContact OE1-CD 3.31Å; E90-K93 WeakPolarHBondContact OE1-CD 3.49Å; E90-K93 WeakPolarHBondContact OE1-CE 3.27Å; E90-K93 IonicContact OE1-NZ 3.98Å; E90-K93 PolarHBondContact OE1-NZ 3.06Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K93-H95 VanDerWaalsContact C-N 3.27Å; K93-H95 PolarHBondContact O-N 2.93Å; K93-C96 PolarHBondContact O-N 3.07Å; K93-C96 VanDerWaalsContact O-N 3.15Å; K93-I97 HydrophobicContact CG-CD1 3.96Å; K93-I97 WeakPolarHBondContact O-CG1 3.39Å; K93-I97 PolarHBondContact O-N 2.98Å
94	E	81	Confident	74.9	Confident	118 Å²	118	94 Å²	94	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-57.5	-41.2	177.8	-70	-71.5	126.9	0	0	111.3	E90 K91 I97 A98	E90-E94 WeakPolarHBondContact O-CG 3.47Å; E90-E94 PolarHBondContact O-N 3.41Å; K91-E94 PolarHBondContact O-N 3.13Å; E94-I97 PolarHBondContact O-N 2.93Å; E94-A98 WeakPolarHBondContact O-CB 3.36Å; E94-A98 PolarHBondContact O-N 3.43Å
95	H	82.6	Confident	76.9	Confident	121 Å²	121	97 Å²	97	56%	0.56	49%	0.494	S	S	*	.	H	α-helix	trans	-66.6	-40.3	176.1	-171.8	50.9	0	0	0	112.9	K91 K93 A98 L99	K91-H95 WeakPolarHBondContact O-CB 3.39Å; K91-H95 PolarHBondContact O-N 3.04Å; K93-H95 VanDerWaalsContact C-N 3.27Å; K93-H95 PolarHBondContact O-N 2.93Å; H95-A98 PolarHBondContact O-N 2.93Å; H95-L99 WeakPolarHBondContact O-CG 3.49Å; H95-L99 PolarHBondContact O-N 3Å
96	C	81.3	Confident	78.6	Confident	77 Å²	77	96.6 Å²	96.6	52%	0.52	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-37.5	174.4	-74.8	0	0	0	0	112.8	E92 K93 L99 F100	E92-C96 WeakPolarHBondContact O-CB 3.42Å; E92-C96 PolarHBondContact O-N 3.46Å; E92-C96 PolarHBondContact O-SG 3.33Å; K93-C96 PolarHBondContact O-N 3.07Å; K93-C96 VanDerWaalsContact O-N 3.15Å; C96-L99 PolarHBondContact O-N 3.39Å; C96-F100 WeakPolarHBondContact O-CB 3.28Å; C96-F100 PolarHBondContact O-N 3.42Å
97	I	84.1	Confident	80.1	Confident	76 Å²	76	94.4 Å²	94.4	39%	0.39	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-49	174.3	-66.6	164.9	0	0	0	109.8	K93 E94 L99 F100 D101	K93-I97 HydrophobicContact CG-CD1 3.96Å; K93-I97 WeakPolarHBondContact O-CG1 3.39Å; K93-I97 PolarHBondContact O-N 2.98Å; E94-I97 PolarHBondContact O-N 2.93Å; I97-L99 PolarHBondContact O-N 2.91Å; I97-L99 VanDerWaalsContact O-N 3.13Å; I97-F100 WeakPolarHBondContact O-CB 3.37Å; I97-F100 PolarHBondContact O-N 3.35Å; I97-D101 PolarHBondContact O-N 3.05Å
98	A	82.1	Confident	81.5	Confident	45 Å²	45	94 Å²	94	37%	0.372	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-24.5	178.3	0	0	0	0	0	113.7	E94 H95 Q102	E94-A98 WeakPolarHBondContact O-CB 3.36Å; E94-A98 PolarHBondContact O-N 3.43Å; H95-A98 PolarHBondContact O-N 2.93Å; A98-Q102 WeakPolarHBondContact O-CG 3.43Å; A98-Q102 PolarHBondContact O-NE2 3.5Å
99	L	82.9	Confident	82.3	Confident	62 Å²	62	94.1 Å²	94.1	33%	0.325	48%	0.475	S	S	.	.	H	α-helix	trans	-81.2	-41.7	170.1	-73	170.6	0	0	0	112.2	H95 C96 I97 D101 Q102 W103	H95-L99 WeakPolarHBondContact O-CG 3.49Å; H95-L99 PolarHBondContact O-N 3Å; C96-L99 PolarHBondContact O-N 3.39Å; I97-L99 PolarHBondContact O-N 2.91Å; I97-L99 VanDerWaalsContact O-N 3.13Å; L99-D101 VanDerWaalsContact C-N 3.3Å; L99-D101 PolarHBondContact O-N 3.15Å; L99-Q102 WeakPolarHBondContact O-CB 3.29Å; L99-Q102 PolarHBondContact O-N 2.98Å; L99-W103 HydrophobicContact CB-CZ2 4.14Å; L99-W103 VanDerWaalsContact O-CD1 3.26Å; L99-W103 PolarHBondContact O-NE1 3.33Å
100	F	86.5	Confident	83	Confident	53 Å²	53	91.8 Å²	91.8	23%	0.232	47%	0.47	C	S	.	.	H	α-helix	trans	-57.5	-43.1	176.8	-175.2	-92.4	0	0	0	111.8	C96 I97 Q102 W103 Q108 F111 V112	C96-F100 WeakPolarHBondContact O-CB 3.28Å; C96-F100 PolarHBondContact O-N 3.42Å; I97-F100 WeakPolarHBondContact O-CB 3.37Å; I97-F100 PolarHBondContact O-N 3.35Å; F100-Q102 PolarHBondContact O-N 2.95Å; F100-Q102 VanDerWaalsContact O-N 3.15Å; F100-W103 HydrophobicContact CB-CE3 4.39Å; F100-W103 HydrophobicContact CB-CZ3 4.37Å; F100-W103 AromaticContact CD2-CE3 3.83Å; F100-W103 HydrophobicContact CD2-CE3 3.83Å; F100-W103 AromaticContact CD2-CZ3 3.74Å; F100-W103 HydrophobicContact CD2-CZ3 3.74Å; F100-W103 HydrophobicContact CG-CE3 4.41Å; F100-W103 HydrophobicContact CG-CZ3 4.49Å; F100-W103 PolarHBondContact O-N 3Å; F100-W103 VanDerWaalsContact O-N 3.13Å; F100-Q108 HydrophobicContact CD1-CG 4.14Å; F100-Q108 HydrophobicContact CD2-CG 4.21Å; F100-Q108 HydrophobicContact CE1-CB 4.14Å; F100-Q108 HydrophobicContact CE1-CG 3.79Å; F100-Q108 HydrophobicContact CE2-CB 3.77Å; F100-Q108 HydrophobicContact CE2-CG 3.86Å; F100-Q108 HydrophobicContact CG-CG 4.34Å; F100-Q108 HydrophobicContact CZ-CB 3.53Å; F100-Q108 HydrophobicContact CZ-CG 3.65Å; F100-Q108 PolarHBondContact O-NE2 3.13Å; F100-F111 HydrophobicContact CD2-CD1 4.13Å; F100-F111 HydrophobicContact CE2-CD1 4.23Å; F100-V112 HydrophobicContact CE2-CG2 3.9Å; F100-V112 HydrophobicContact CZ-CG2 4.05Å
101	D	85.1	Confident	83.8	Confident	110 Å²	110	92 Å²	92	59%	0.588	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.7	177.7	-64.1	-20.6	0	0	0	113.8	I97 L99	I97-D101 PolarHBondContact O-N 3.05Å; L99-D101 VanDerWaalsContact C-N 3.3Å; L99-D101 PolarHBondContact O-N 3.15Å
102	Q	85.9	Confident	84.3	Confident	148 Å²	148	87.2 Å²	87.2	69%	0.692	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-5.9	175.8	-68.5	174.1	54.9	0	0	113.5	A98 L99 F100	A98-Q102 WeakPolarHBondContact O-CG 3.43Å; A98-Q102 PolarHBondContact O-NE2 3.5Å; L99-Q102 WeakPolarHBondContact O-CB 3.29Å; L99-Q102 PolarHBondContact O-N 2.98Å; F100-Q102 PolarHBondContact O-N 2.95Å; F100-Q102 VanDerWaalsContact O-N 3.15Å
103	W	89.4	Confident	84.6	Confident	92 Å²	92	88 Å²	88	35%	0.348	46%	0.457	S	S	.	.	S	Bend	trans	-89	163.6	-179.3	-59.4	-19.2	0	0	0	112.2	L99 F100 D107 Q108 F111	L99-W103 HydrophobicContact CB-CZ2 4.14Å; L99-W103 VanDerWaalsContact O-CD1 3.26Å; L99-W103 PolarHBondContact O-NE1 3.33Å; F100-W103 HydrophobicContact CB-CE3 4.39Å; F100-W103 HydrophobicContact CB-CZ3 4.37Å; F100-W103 AromaticContact CD2-CE3 3.83Å; F100-W103 HydrophobicContact CD2-CE3 3.83Å; F100-W103 AromaticContact CD2-CZ3 3.74Å; F100-W103 HydrophobicContact CD2-CZ3 3.74Å; F100-W103 HydrophobicContact CG-CE3 4.41Å; F100-W103 HydrophobicContact CG-CZ3 4.49Å; F100-W103 PolarHBondContact O-N 3Å; F100-W103 VanDerWaalsContact O-N 3.13Å; W103-D107 HydrophobicContact CB-CB 3.99Å; W103-Q108 HydrophobicContact CB-CG 4.07Å; W103-F111 HydrophobicContact CE3-CB 4.42Å; W103-F111 HydrophobicContact CE3-CG 4.44Å; W103-F111 HydrophobicContact CH2-CD1 4.3Å; W103-F111 AromaticContact CH2-CD2 3.93Å; W103-F111 HydrophobicContact CH2-CD2 3.93Å; W103-F111 HydrophobicContact CH2-CE1 4.23Å; W103-F111 AromaticContact CH2-CE2 3.88Å; W103-F111 HydrophobicContact CH2-CE2 3.88Å; W103-F111 HydrophobicContact CH2-CG 4.14Å; W103-F111 HydrophobicContact CH2-CZ 4.03Å; W103-F111 HydrophobicContact CZ3-CB 3.93Å; W103-F111 AromaticContact CZ3-CD1 3.65Å; W103-F111 HydrophobicContact CZ3-CD1 3.65Å; W103-F111 AromaticContact CZ3-CD2 3.74Å; W103-F111 HydrophobicContact CZ3-CD2 3.74Å; W103-F111 AromaticContact CZ3-CE1 3.99Å; W103-F111 HydrophobicContact CZ3-CE1 3.99Å; W103-F111 HydrophobicContact CZ3-CE2 4.1Å; W103-F111 AromaticContact CZ3-CG 3.5Å; W103-F111 HydrophobicContact CZ3-CG 3.5Å; W103-F111 VanDerWaalsContact CZ3-CG 3.5Å; W103-F111 HydrophobicContact CZ3-CZ 4.21Å
104	S	84.9	Confident	84.8	Confident	57 Å²	57	91.7 Å²	91.7	40%	0.399	47%	0.469	S	S	.	.			trans	-74	159.1	173.7	80.7	0	0	0	0	111.4	A106 D107 Q108	S104-A106 PolarHBondContact O-N 2.95Å; S104-A106 VanDerWaalsContact O-N 3.12Å; S104-D107 VanDerWaalsContact CB-OD2 3.27Å; S104-D107 WeakPolarHBondContact CB-OD2 3.35Å; S104-D107 PolarHBondContact N-OD2 3.44Å; S104-D107 PolarHBondContact O-N 3.14Å; S104-D107 VanDerWaalsContact OG-CG 3.24Å; S104-D107 PolarHBondContact OG-N 3.05Å; S104-D107 PolarHBondContact OG-OD2 2.84Å; S104-Q108 WeakPolarHBondContact O-CG 3.41Å; S104-Q108 PolarHBondContact O-N 3.09Å
105	E	85.6	Confident	85.1	Confident	166 Å²	166	89.7 Å²	89.7	78%	0.776	46%	0.462	S	S	*	.	H	α-helix	trans	-53.3	-34.6	177.2	-60.8	-178.2	166.5	0	0	112.5	V109	E105-V109 VanDerWaalsContact O-CG2 3.31Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.31Å
106	A	84.1	Confident	85.3	Confident	72 Å²	72	86.7 Å²	86.7	60%	0.595	45%	0.449	S	S	*	.	H	α-helix	trans	-71.2	-44.6	177.6	0	0	0	0	0	112.4	S104 Q108 V109 E110	S104-A106 PolarHBondContact O-N 2.95Å; S104-A106 VanDerWaalsContact O-N 3.12Å; A106-Q108 VanDerWaalsContact C-N 3.34Å; A106-V109 PolarHBondContact O-N 3.44Å; A106-E110 PolarHBondContact O-N 2.91Å
107	D	85.1	Confident	85.5	Confident	85 Å²	85	87.4 Å²	87.4	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-65.4	-39.7	178.4	-57.1	-55.8	0	0	0	111.2	W103 S104 E110 F111	W103-D107 HydrophobicContact CB-CB 3.99Å; S104-D107 VanDerWaalsContact CB-OD2 3.27Å; S104-D107 WeakPolarHBondContact CB-OD2 3.35Å; S104-D107 PolarHBondContact N-OD2 3.44Å; S104-D107 PolarHBondContact O-N 3.14Å; S104-D107 VanDerWaalsContact OG-CG 3.24Å; S104-D107 PolarHBondContact OG-N 3.05Å; S104-D107 PolarHBondContact OG-OD2 2.84Å; D107-E110 PolarHBondContact O-N 3.07Å; D107-F111 VanDerWaalsContact O-CB 3.28Å; D107-F111 WeakPolarHBondContact O-CB 3.46Å; D107-F111 PolarHBondContact O-N 2.96Å
108	Q	86	Confident	85.7	Confident	47 Å²	47	94 Å²	94	22%	0.22	48%	0.475	C	S	.	.	H	α-helix	trans	-58.4	-46.9	174.4	-75.6	-179.1	-4.4	0	0	111.5	F100 W103 S104 A106 V112	F100-Q108 HydrophobicContact CD1-CG 4.14Å; F100-Q108 HydrophobicContact CD2-CG 4.21Å; F100-Q108 HydrophobicContact CE1-CB 4.14Å; F100-Q108 HydrophobicContact CE1-CG 3.79Å; F100-Q108 HydrophobicContact CE2-CB 3.77Å; F100-Q108 HydrophobicContact CE2-CG 3.86Å; F100-Q108 HydrophobicContact CG-CG 4.34Å; F100-Q108 HydrophobicContact CZ-CB 3.53Å; F100-Q108 HydrophobicContact CZ-CG 3.65Å; F100-Q108 PolarHBondContact O-NE2 3.13Å; W103-Q108 HydrophobicContact CB-CG 4.07Å; S104-Q108 WeakPolarHBondContact O-CG 3.41Å; S104-Q108 PolarHBondContact O-N 3.09Å; A106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-V112 WeakPolarHBondContact O-CG2 3.1Å; Q108-V112 PolarHBondContact O-N 3.13Å; Q108-V112 VanDerWaalsContact O-N 3.07Å
109	V	84.4	Confident	85.9	Confident	85 Å²	85	94.3 Å²	94.3	52%	0.515	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-48.7	177.6	170.7	0	0	0	0	111.1	E105 A106 F111 V112 E113	E105-V109 VanDerWaalsContact O-CG2 3.31Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.31Å; A106-V109 PolarHBondContact O-N 3.44Å; V109-F111 VanDerWaalsContact C-N 3.28Å; V109-F111 PolarHBondContact O-N 2.88Å; V109-V112 PolarHBondContact O-N 2.88Å; V109-V112 VanDerWaalsContact O-N 3.14Å; V109-E113 HydrophobicContact CG1-CG 4.44Å; V109-E113 WeakPolarHBondContact O-CG 3.38Å; V109-E113 PolarHBondContact O-N 3.29Å
110	E	87.5	Confident	86.1	Confident	90 Å²	90	94.5 Å²	94.5	42%	0.421	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-37.6	-179.9	-153.9	-152.7	150.4	0	0	111.9	A106 D107 E113 R114	A106-E110 PolarHBondContact O-N 2.91Å; D107-E110 PolarHBondContact O-N 3.07Å; E110-E113 PolarHBondContact O-N 2.87Å; E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.35Å; E110-R114 PolarHBondContact O-N 2.79Å; E110-R114 IonicContact OE1-CZ 3.31Å; E110-R114 IonicContact OE1-NE 2.93Å; E110-R114 PolarHBondContact OE1-NE 3.47Å; E110-R114 IonicContact OE1-NH2 3.86Å; E110-R114 PolarHBondContact OE1-NH2 2.93Å; E110-R114 IonicContact OE2-NH2 2.94Å
111	F	87.9	Confident	85.9	Confident	89 Å²	89	99.7 Å²	99.7	39%	0.39	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-42.9	175.4	-175.7	-99.6	0	0	0	112.3	F100 W103 D107 V109 R114 L115	F100-F111 HydrophobicContact CD2-CD1 4.13Å; F100-F111 HydrophobicContact CE2-CD1 4.23Å; W103-F111 HydrophobicContact CE3-CB 4.42Å; W103-F111 HydrophobicContact CE3-CG 4.44Å; W103-F111 HydrophobicContact CH2-CD1 4.3Å; W103-F111 AromaticContact CH2-CD2 3.93Å; W103-F111 HydrophobicContact CH2-CD2 3.93Å; W103-F111 HydrophobicContact CH2-CE1 4.23Å; W103-F111 AromaticContact CH2-CE2 3.88Å; W103-F111 HydrophobicContact CH2-CE2 3.88Å; W103-F111 HydrophobicContact CH2-CG 4.14Å; W103-F111 HydrophobicContact CH2-CZ 4.03Å; W103-F111 HydrophobicContact CZ3-CB 3.93Å; W103-F111 AromaticContact CZ3-CD1 3.65Å; W103-F111 HydrophobicContact CZ3-CD1 3.65Å; W103-F111 AromaticContact CZ3-CD2 3.74Å; W103-F111 HydrophobicContact CZ3-CD2 3.74Å; W103-F111 AromaticContact CZ3-CE1 3.99Å; W103-F111 HydrophobicContact CZ3-CE1 3.99Å; W103-F111 HydrophobicContact CZ3-CE2 4.1Å; W103-F111 AromaticContact CZ3-CG 3.5Å; W103-F111 HydrophobicContact CZ3-CG 3.5Å; W103-F111 VanDerWaalsContact CZ3-CG 3.5Å; W103-F111 HydrophobicContact CZ3-CZ 4.21Å; D107-F111 VanDerWaalsContact O-CB 3.28Å; D107-F111 WeakPolarHBondContact O-CB 3.46Å; D107-F111 PolarHBondContact O-N 2.96Å; V109-F111 VanDerWaalsContact C-N 3.28Å; V109-F111 PolarHBondContact O-N 2.88Å; F111-R114 PolarHBondContact O-N 3.03Å; F111-L115 HydrophobicContact CD1-CD1 3.94Å; F111-L115 HydrophobicContact CE1-CD1 3.46Å; F111-L115 VanDerWaalsContact CE1-CD1 3.46Å; F111-L115 HydrophobicContact CE1-CG 4.49Å; F111-L115 HydrophobicContact CZ-CD1 4.07Å; F111-L115 WeakPolarHBondContact O-CB 3.37Å; F111-L115 PolarHBondContact O-N 3.39Å
112	V	86.6	Confident	86	Confident	58 Å²	58	102.7 Å²	102.7	35%	0.352	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-41.1	176.2	169.6	0	0	0	0	111.4	F100 Q108 V109 L115 I116	F100-V112 HydrophobicContact CE2-CG2 3.9Å; F100-V112 HydrophobicContact CZ-CG2 4.05Å; Q108-V112 WeakPolarHBondContact O-CG2 3.1Å; Q108-V112 PolarHBondContact O-N 3.13Å; Q108-V112 VanDerWaalsContact O-N 3.07Å; V109-V112 PolarHBondContact O-N 2.88Å; V109-V112 VanDerWaalsContact O-N 3.14Å; V112-L115 WeakPolarHBondContact O-CB 3.31Å; V112-L115 PolarHBondContact O-N 2.84Å; V112-I116 HydrophobicContact CG1-CD1 3.72Å; V112-I116 HydrophobicContact CG1-CG1 4.33Å; V112-I116 WeakPolarHBondContact O-CG1 3.39Å; V112-I116 PolarHBondContact O-N 2.72Å
113	E	84.4	Confident	85.9	Confident	124 Å²	124	99.8 Å²	99.8	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-61.1	-46.9	174.4	-72.1	-172.7	166.4	0	0	111.9	V109 E110 L115 I116 S117	V109-E113 HydrophobicContact CG1-CG 4.44Å; V109-E113 WeakPolarHBondContact O-CG 3.38Å; V109-E113 PolarHBondContact O-N 3.29Å; E110-E113 PolarHBondContact O-N 2.87Å; E113-L115 PolarHBondContact O-N 2.94Å; E113-I116 PolarHBondContact O-N 3.15Å; E113-S117 WeakPolarHBondContact O-CB 3.44Å; E113-S117 PolarHBondContact O-N 3.12Å
114	R	84.5	Confident	85.7	Confident	150 Å²	150	98.6 Å²	98.6	57%	0.566	49%	0.489	S	S	*	.	H	α-helix	trans	-62.6	-27.9	174.6	-73.3	177.8	178.8	-147.1	8.2	113.3	E110 F111 S117 R118	E110-R114 WeakPolarHBondContact O-CB 3.4Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.35Å; E110-R114 PolarHBondContact O-N 2.79Å; E110-R114 IonicContact OE1-CZ 3.31Å; E110-R114 IonicContact OE1-NE 2.93Å; E110-R114 PolarHBondContact OE1-NE 3.47Å; E110-R114 IonicContact OE1-NH2 3.86Å; E110-R114 PolarHBondContact OE1-NH2 2.93Å; E110-R114 IonicContact OE2-NH2 2.94Å; F111-R114 PolarHBondContact O-N 3.03Å; R114-S117 PolarHBondContact O-OG 3.19Å; R114-R118 WeakPolarHBondContact O-CD 3.4Å; R114-R118 WeakPolarHBondContact O-CG 3.41Å
115	L	86.9	Confident	85.5	Confident	76 Å²	76	97.7 Å²	97.7	40%	0.398	49%	0.489	S	S	.	.	H	α-helix	trans	-73.4	-52.1	173.1	-109.5	165.6	0	0	0	110.9	F111 V112 E113 S117 R118 M119	F111-L115 HydrophobicContact CD1-CD1 3.94Å; F111-L115 HydrophobicContact CE1-CD1 3.46Å; F111-L115 VanDerWaalsContact CE1-CD1 3.46Å; F111-L115 HydrophobicContact CE1-CG 4.49Å; F111-L115 HydrophobicContact CZ-CD1 4.07Å; F111-L115 WeakPolarHBondContact O-CB 3.37Å; F111-L115 PolarHBondContact O-N 3.39Å; V112-L115 WeakPolarHBondContact O-CB 3.31Å; V112-L115 PolarHBondContact O-N 2.84Å; E113-L115 PolarHBondContact O-N 2.94Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 2.96Å; L115-R118 PolarHBondContact O-N 3.45Å; L115-R118 VanDerWaalsContact O-N 3.16Å; L115-M119 HydrophobicContact CB-CE 4.45Å; L115-M119 HydrophobicContact CD2-CE 3.87Å; L115-M119 WeakPolarHBondContact O-CG 3.39Å
116	I	85.4	Confident	85.5	Confident	58 Å²	58	95.6 Å²	95.6	30%	0.297	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-41.6	-179.7	-69.6	171.1	0	0	0	110.6	V112 E113 R118 M119 H124	V112-I116 HydrophobicContact CG1-CD1 3.72Å; V112-I116 HydrophobicContact CG1-CG1 4.33Å; V112-I116 WeakPolarHBondContact O-CG1 3.39Å; V112-I116 PolarHBondContact O-N 2.72Å; E113-I116 PolarHBondContact O-N 3.15Å; I116-R118 PolarHBondContact O-N 3.29Å; I116-M119 PolarHBondContact O-N 3.45Å; I116-H124 PolarHBondContact O-NE2 2.84Å
117	S	86.6	Confident	85.5	Confident	92 Å²	92	94.6 Å²	94.6	64%	0.643	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.4	-179.9	79.3	0	0	0	0	114.3	E113 R114 L115	E113-S117 WeakPolarHBondContact O-CB 3.44Å; E113-S117 PolarHBondContact O-N 3.12Å; R114-S117 PolarHBondContact O-OG 3.19Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 2.96Å
118	R	86.9	Confident	85.3	Confident	215 Å²	215	95.3 Å²	95.3	81%	0.811	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.6	178.2	-67.7	176.6	175.9	-161.4	-1.9	114	R114 L115 I116	R114-R118 WeakPolarHBondContact O-CD 3.4Å; R114-R118 WeakPolarHBondContact O-CG 3.41Å; L115-R118 PolarHBondContact O-N 3.45Å; L115-R118 VanDerWaalsContact O-N 3.16Å; I116-R118 PolarHBondContact O-N 3.29Å
119	M	87.1	Confident	84.9	Confident	52 Å²	52	97.1 Å²	97.1	26%	0.256	49%	0.485	S	S	.	.	S	Bend	trans	-87.9	162.2	-179.7	-63.4	-167.8	-163.5	0	0	112.5	L115 I116 Q123 H124 I127	L115-M119 HydrophobicContact CB-CE 4.45Å; L115-M119 HydrophobicContact CD2-CE 3.87Å; L115-M119 WeakPolarHBondContact O-CG 3.39Å; I116-M119 PolarHBondContact O-N 3.45Å; M119-Q123 HydrophobicContact CB-CB 3.96Å; M119-Q123 HydrophobicContact SD-CB 4.17Å; M119-H124 PolarHBondContact O-CE1 3.48Å; M119-H124 PolarHBondContact O-NE2 2.85Å; M119-I127 HydrophobicContact CE-CD1 3.96Å; M119-I127 HydrophobicContact SD-CD1 3.37Å; M119-I127 WeakPolarHBondContact SD-CD1 3.18Å
120	C	86.9	Confident	84.7	Confident	66 Å²	66	100.8 Å²	100.8	45%	0.446	49%	0.49	S	S	.	.			trans	-90.4	160.9	176.1	76.8	0	0	0	0	112.4	Y122 Q123 H124	C120-Y122 PolarHBondContact O-N 3.15Å; C120-Q123 WeakPolarHBondContact O-CA 3.46Å; C120-Q123 WeakPolarHBondContact O-CB 3.31Å; C120-Q123 PolarHBondContact O-N 3.06Å; C120-Q123 PolarHBondContact SG-OE1 2.93Å; C120-H124 PolarHBondContact O-N 2.8Å; C120-H124 PolarHBondContact O-ND1 3.4Å
121	H	83	Confident	84.2	Confident	162 Å²	162	99.7 Å²	99.7	75%	0.75	49%	0.487	S	S	*	.	H	α-helix	trans	-53.6	-30.8	-177.5	-168.1	-37.6	0	0	0	114	G125	H121-G125 PolarHBondContact O-N 3.25Å
122	Y	85.9	Confident	83.6	Confident	172 Å²	172	100.7 Å²	100.7	68%	0.675	49%	0.491	S	S	*	.	H	α-helix	trans	-67.3	-43.9	174.2	175.2	-101	0	0	0	112.1	C120 G125 H126	C120-Y122 PolarHBondContact O-N 3.15Å; Y122-G125 PolarHBondContact O-N 3.17Å; Y122-H126 PolarHBondContact O-N 3.46Å
123	Q	85.6	Confident	82.6	Confident	87 Å²	87	102.1 Å²	102.1	41%	0.407	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-38.8	174.5	-66.2	169.6	-58	0	0	111.3	M119 C120 G125 H126 I127	M119-Q123 HydrophobicContact CB-CB 3.96Å; M119-Q123 HydrophobicContact SD-CB 4.17Å; C120-Q123 WeakPolarHBondContact O-CA 3.46Å; C120-Q123 WeakPolarHBondContact O-CB 3.31Å; C120-Q123 PolarHBondContact O-N 3.06Å; C120-Q123 PolarHBondContact SG-OE1 2.93Å; Q123-G125 VanDerWaalsContact C-N 3.32Å; Q123-G125 PolarHBondContact O-N 3.38Å; Q123-H126 PolarHBondContact O-N 2.8Å; Q123-H126 VanDerWaalsContact O-N 3.15Å; Q123-I127 PolarHBondContact O-N 3.47Å
124	H	84.4	Confident	81.7	Confident	67 Å²	67	101.7 Å²	101.7	31%	0.31	50%	0.501	S	S	.	.	H	α-helix	trans	-59.1	-42.1	171.8	-60.4	144	0	0	0	112.1	I116 M119 C120 H126 I127 N128	I116-H124 PolarHBondContact O-NE2 2.84Å; M119-H124 PolarHBondContact O-CE1 3.48Å; M119-H124 PolarHBondContact O-NE2 2.85Å; C120-H124 PolarHBondContact O-N 2.8Å; C120-H124 PolarHBondContact O-ND1 3.4Å; H124-H126 VanDerWaalsContact C-N 3.33Å; H124-H126 PolarHBondContact O-N 3.46Å; H124-I127 PolarHBondContact O-N 3.01Å; H124-N128 WeakPolarHBondContact O-CB 3.18Å; H124-N128 PolarHBondContact O-N 2.94Å
125	G	81.7	Confident	81.1	Confident	39 Å²	39	101 Å²	101	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-42.3	173.3	0	0	0	0	0	112.4	H121 Y122 Q123 S129	H121-G125 PolarHBondContact O-N 3.25Å; Y122-G125 PolarHBondContact O-N 3.17Å; Q123-G125 VanDerWaalsContact C-N 3.32Å; Q123-G125 PolarHBondContact O-N 3.38Å; G125-S129 WeakPolarHBondContact O-CB 3.39Å; G125-S129 PolarHBondContact O-N 3.05Å
126	H	84.9	Confident	80.3	Confident	121 Å²	121	103.6 Å²	103.6	56%	0.56	52%	0.518	S	S	*	.	H	α-helix	trans	-67.3	-42	178.1	-128.1	-63	0	0	0	113	Y122 Q123 H124 S129 Y130	Y122-H126 PolarHBondContact O-N 3.46Å; Q123-H126 PolarHBondContact O-N 2.8Å; Q123-H126 VanDerWaalsContact O-N 3.15Å; H124-H126 VanDerWaalsContact C-N 3.33Å; H124-H126 PolarHBondContact O-N 3.46Å; H126-S129 WeakPolarHBondContact O-CB 3.07Å; H126-S129 PolarHBondContact O-N 3Å; H126-Y130 PolarHBondContact O-N 3.18Å; H126-Y130 VanDerWaalsContact O-N 3.17Å
127	I	83.4	Confident	80	Confident	52 Å²	52	109.7 Å²	109.7	27%	0.267	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-41.9	175.7	-72.1	175.6	0	0	0	110.8	M119 Q123 H124 S129 Y130 L131	M119-I127 HydrophobicContact CE-CD1 3.96Å; M119-I127 HydrophobicContact SD-CD1 3.37Å; M119-I127 WeakPolarHBondContact SD-CD1 3.18Å; Q123-I127 PolarHBondContact O-N 3.47Å; H124-I127 PolarHBondContact O-N 3.01Å; I127-S129 VanDerWaalsContact C-N 3.29Å; I127-S129 PolarHBondContact O-N 2.9Å; I127-Y130 CarbonylContact O-C 3.59Å; I127-Y130 WeakPolarHBondContact O-CA 3.44Å; I127-Y130 WeakPolarHBondContact O-CB 3.48Å; I127-Y130 PolarHBondContact O-N 3.44Å; I127-L131 HydrophobicContact CG2-CD1 3.64Å; I127-L131 HydrophobicContact CG2-CG 4.01Å; I127-L131 WeakPolarHBondContact O-CG 3.46Å; I127-L131 PolarHBondContact O-N 3.48Å
128	N	80.6	Confident	79.8	Confident	100 Å²	100	108 Å²	108	54%	0.535	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-41.2	173.4	-172.4	11.1	0	0	0	110.9	H124 Y130 L131 K132	H124-N128 WeakPolarHBondContact O-CB 3.18Å; H124-N128 PolarHBondContact O-N 2.94Å; N128-Y130 PolarHBondContact O-N 2.87Å; N128-L131 PolarHBondContact O-N 3.4Å; N128-K132 WeakPolarHBondContact O-CB 3.5Å; N128-K132 PolarHBondContact O-N 3.49Å
129	S	79.1	Confident	79.8	Confident	85 Å²	85	104 Å²	104	59%	0.594	51%	0.51	S	S	*	.	H	α-helix	trans	-63.2	-22.7	173.6	-167.2	0	0	0	0	114.2	G125 H126 I127 P133	G125-S129 WeakPolarHBondContact O-CB 3.39Å; G125-S129 PolarHBondContact O-N 3.05Å; H126-S129 WeakPolarHBondContact O-CB 3.07Å; H126-S129 PolarHBondContact O-N 3Å; I127-S129 VanDerWaalsContact C-N 3.29Å; I127-S129 PolarHBondContact O-N 2.9Å; S129-P133 WeakPolarHBondContact O-CD 3.49Å
130	Y	79	Confident	79.8	Confident	161 Å²	161	101.8 Å²	101.8	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-91.2	-41.4	176.9	-179.2	-96.6	0	0	0	112.6	H126 I127 N128 P133 M134	H126-Y130 PolarHBondContact O-N 3.18Å; H126-Y130 VanDerWaalsContact O-N 3.17Å; I127-Y130 CarbonylContact O-C 3.59Å; I127-Y130 WeakPolarHBondContact O-CA 3.44Å; I127-Y130 WeakPolarHBondContact O-CB 3.48Å; I127-Y130 PolarHBondContact O-N 3.44Å; N128-Y130 PolarHBondContact O-N 2.87Å; Y130-P133 WeakPolarHBondContact O-CD 3.22Å; Y130-M134 HydrophobicContact CD1-SD 4.22Å; Y130-M134 HydrophobicContact CE1-SD 3.7Å
131	L	78.2	Confident	79.8	Confident	68 Å²	68	101 Å²	101	36%	0.356	49%	0.492	S	S	.	.	H	α-helix	trans	-72.9	-34.9	177.9	-68.4	177.4	0	0	0	112.4	I127 N128 M134 L135	I127-L131 HydrophobicContact CG2-CD1 3.64Å; I127-L131 HydrophobicContact CG2-CG 4.01Å; I127-L131 WeakPolarHBondContact O-CG 3.46Å; I127-L131 PolarHBondContact O-N 3.48Å; N128-L131 PolarHBondContact O-N 3.4Å; L131-M134 WeakPolarHBondContact O-CA 3.46Å; L131-M134 WeakPolarHBondContact O-CB 3.45Å; L131-M134 PolarHBondContact O-N 3.4Å; L131-L135 HydrophobicContact CB-CD1 4.09Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 3.15Å
132	K	74.4	Confident	79.9	Confident	109 Å²	109	95.2 Å²	95.2	47%	0.474	47%	0.472	S	S	.	.	H	α-helix	trans	-57.2	-44.3	-174.9	-178.5	178.2	-179.1	-175.8	0	113	N128 M134 L135 Q136	N128-K132 WeakPolarHBondContact O-CB 3.5Å; N128-K132 PolarHBondContact O-N 3.49Å; K132-M134 VanDerWaalsContact C-N 3.33Å; K132-M134 PolarHBondContact O-N 3.4Å; K132-L135 PolarHBondContact O-N 2.87Å; K132-Q136 HydrophobicContact CG-CG 4.23Å; K132-Q136 VanDerWaalsContact CG-OE1 3.3Å; K132-Q136 WeakPolarHBondContact O-CA 3.46Å; K132-Q136 WeakPolarHBondContact O-CB 3.39Å; K132-Q136 WeakPolarHBondContact O-CG 3.47Å; K132-Q136 PolarHBondContact O-N 3.43Å
133	P	66.1	Low	80	Confident	88 Å²	88	88.1 Å²	88.1	57%	0.571	45%	0.446	S	S	*	.	H	α-helix	trans	-66.1	-26.3	171.5	-23.4	34.8	0	0	0	115.2	S129 Y130	S129-P133 WeakPolarHBondContact O-CD 3.49Å; Y130-P133 WeakPolarHBondContact O-CD 3.22Å
134	M	66.3	Low	80	Confident	115 Å²	115	84.8 Å²	84.8	57%	0.567	43%	0.432	S	S	*	.	H	α-helix	trans	-77.9	-35.1	177.8	-56.7	-175.5	87.4	0	0	111.7	Y130 L131 K132	Y130-M134 HydrophobicContact CD1-SD 4.22Å; Y130-M134 HydrophobicContact CE1-SD 3.7Å; L131-M134 WeakPolarHBondContact O-CA 3.46Å; L131-M134 WeakPolarHBondContact O-CB 3.45Å; L131-M134 PolarHBondContact O-N 3.4Å; K132-M134 VanDerWaalsContact C-N 3.33Å; K132-M134 PolarHBondContact O-N 3.4Å
135	L	70.8	Confident	80.1	Confident	137 Å²	137	85.7 Å²	85.7	72%	0.717	45%	0.451	S	S	*	.	H	α-helix	trans	-83.7	-37.2	178.3	-65.1	169.7	0	0	0	112.7	L131 K132	L131-L135 HydrophobicContact CB-CD1 4.09Å; L131-L135 WeakPolarHBondContact O-CG 3.36Å; L131-L135 PolarHBondContact O-N 3.15Å; K132-L135 PolarHBondContact O-N 2.87Å
136	Q	71.1	Confident	80.4	Confident	130 Å²	130	90.4 Å²	90.4	61%	0.607	46%	0.462	S	S	*	.	S	Bend	trans	-100.1	83.5	179.5	-58.1	-169.2	-38.1	0	0	110.3	K132	K132-Q136 HydrophobicContact CG-CG 4.23Å; K132-Q136 VanDerWaalsContact CG-OE1 3.3Å; K132-Q136 WeakPolarHBondContact O-CA 3.46Å; K132-Q136 WeakPolarHBondContact O-CB 3.39Å; K132-Q136 WeakPolarHBondContact O-CG 3.47Å; K132-Q136 PolarHBondContact O-N 3.43Å
137	R	77.3	Confident	80.4	Confident	185 Å²	185	87.2 Å²	87.2	70%	0.698	46%	0.463	S	S	*	.			trans	-77.5	122.1	172.1	-66	-175.2	-179.9	-174	-1.2	110.3	F139	R137-F139 HydrophobicContact CB-CE2 4.4Å; R137-F139 HydrophobicContact CB-CZ 4.36Å; R137-F139 VanDerWaalsContact O-CD2 3.28Å; R137-F139 WeakPolarHBondContact O-CD2 3.13Å; R137-F139 PolarHBondContact O-N 3.37Å; R137-F139 VanDerWaalsContact O-N 3.15Å
138	D	83.5	Confident	80.8	Confident	58 Å²	58	87.4 Å²	87.4	31%	0.31	46%	0.464	S	S	.	.			trans	-76.4	95.1	165.8	-179.7	-3.4	0	0	0	109.3	I140 T141 A142 W174	D138-I140 VanDerWaalsContact C-N 3.26Å; D138-I140 PolarHBondContact O-N 2.95Å; D138-I140 PolarHBondContact OD1-N 2.95Å; D138-T141 PolarHBondContact O-N 2.6Å; D138-T141 PolarHBondContact OD1-N 3.44Å; D138-T141 VanDerWaalsContact OD1-N 3.08Å; D138-T141 VanDerWaalsContact OD2-CB 3.27Å; D138-T141 WeakPolarHBondContact OD2-CB 3.2Å; D138-T141 PolarHBondContact OD2-OG1 3.37Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 2.95Å; D138-W174 VanDerWaalsContact CG-NE1 3.31Å; D138-W174 PolarHBondContact OD1-NE1 3.17Å; D138-W174 PolarHBondContact OD2-NE1 3.46Å
139	F	85.9	Confident	81.1	Confident	130 Å²	130	84.8 Å²	84.8	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-61.5	-32.5	178.3	-64.2	-84.6	0	0	0	113	R137 A142 L143	R137-F139 HydrophobicContact CB-CE2 4.4Å; R137-F139 HydrophobicContact CB-CZ 4.36Å; R137-F139 VanDerWaalsContact O-CD2 3.28Å; R137-F139 WeakPolarHBondContact O-CD2 3.13Å; R137-F139 PolarHBondContact O-N 3.37Å; R137-F139 VanDerWaalsContact O-N 3.15Å; F139-A142 PolarHBondContact O-N 3.03Å; F139-L143 HydrophobicContact CB-CD1 4.3Å; F139-L143 VanDerWaalsContact O-CB 3.27Å; F139-L143 WeakPolarHBondContact O-CB 3.44Å; F139-L143 WeakPolarHBondContact O-CD1 3.31Å; F139-L143 WeakPolarHBondContact O-CG 3.47Å; F139-L143 PolarHBondContact O-N 2.97Å
140	I	87.8	Confident	81.7	Confident	5 Å²	5	85.7 Å²	85.7	3%	0.026	44%	0.444	C	S	.	.	H	α-helix	trans	-77.5	-27.5	-175.7	-57.3	-55.6	0	0	0	111.4	D138 P144 A152 I155 L156 W174 V177	D138-I140 VanDerWaalsContact C-N 3.26Å; D138-I140 PolarHBondContact O-N 2.95Å; D138-I140 PolarHBondContact OD1-N 2.95Å; I140-P144 WeakPolarHBondContact O-CD 3.37Å; I140-P144 WeakPolarHBondContact O-CG 3.28Å; I140-A152 HydrophobicContact CD1-CB 3.91Å; I140-I155 HydrophobicContact CD1-CB 4.25Å; I140-I155 HydrophobicContact CD1-CG2 4.06Å; I140-L156 HydrophobicContact CD1-CD1 4.1Å; I140-L156 HydrophobicContact CD1-CD2 4.1Å; I140-L156 HydrophobicContact CD1-CG 3.81Å; I140-L156 HydrophobicContact CG1-CD1 4.49Å; I140-L156 HydrophobicContact CG1-CD2 4.25Å; I140-L156 HydrophobicContact CG1-CG 4.41Å; I140-L156 HydrophobicContact CG2-CD1 3.93Å; I140-W174 HydrophobicContact CB-CD2 3.97Å; I140-W174 HydrophobicContact CB-CG 4.25Å; I140-W174 HydrophobicContact CB-CH2 4.49Å; I140-W174 HydrophobicContact CB-CZ2 3.83Å; I140-W174 HydrophobicContact CG1-CD2 4.24Å; I140-W174 HydrophobicContact CG1-CE3 4.43Å; I140-W174 HydrophobicContact CG1-CH2 3.87Å; I140-W174 HydrophobicContact CG1-CZ2 3.64Å; I140-W174 HydrophobicContact CG1-CZ3 4.26Å; I140-W174 HydrophobicContact CG2-CB 4.37Å; I140-W174 HydrophobicContact CG2-CD2 3.83Å; I140-W174 HydrophobicContact CG2-CE3 4.45Å; I140-W174 HydrophobicContact CG2-CG 3.76Å; I140-V177 HydrophobicContact CG2-CB 4.39Å; I140-V177 HydrophobicContact CG2-CG1 4.49Å; I140-V177 HydrophobicContact CG2-CG2 4.37Å
141	T	86	Confident	82.3	Confident	50 Å²	50	81 Å²	81	31%	0.307	43%	0.43	S	S	.	.	H	α-helix	trans	-83.8	-37.2	167.4	-58.6	0	0	0	0	111.7	D138 A145 E173	D138-T141 PolarHBondContact O-N 2.6Å; D138-T141 PolarHBondContact OD1-N 3.44Å; D138-T141 VanDerWaalsContact OD1-N 3.08Å; D138-T141 VanDerWaalsContact OD2-CB 3.27Å; D138-T141 WeakPolarHBondContact OD2-CB 3.2Å; D138-T141 PolarHBondContact OD2-OG1 3.37Å; T141-A145 PolarHBondContact O-N 3.36Å; T141-E173 HydrophobicContact CG2-CG 4.13Å
142	A	86.3	Confident	82.8	Confident	40 Å²	40	77.8 Å²	77.8	33%	0.331	41%	0.413	S	S	.	.	H	α-helix	trans	-75.3	-31.7	-174	0	0	0	0	0	114.6	D138 F139 Q146	D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 2.95Å; F139-A142 PolarHBondContact O-N 3.03Å; A142-Q146 WeakPolarHBondContact O-CG 3.19Å; A142-Q146 PolarHBondContact O-N 3.08Å
143	L	88.1	Confident	83.7	Confident	23 Å²	23	74.8 Å²	74.8	12%	0.12	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-47.9	179.6	-72	164.9	0	0	0	112.3	F139 A145 Q146 G147 L148 I151 A152 I155	F139-L143 HydrophobicContact CB-CD1 4.3Å; F139-L143 VanDerWaalsContact O-CB 3.27Å; F139-L143 WeakPolarHBondContact O-CB 3.44Å; F139-L143 WeakPolarHBondContact O-CD1 3.31Å; F139-L143 WeakPolarHBondContact O-CG 3.47Å; F139-L143 PolarHBondContact O-N 2.97Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.45Å; L143-Q146 CarbonylContact O-C 3.56Å; L143-Q146 WeakPolarHBondContact O-CA 3Å; L143-Q146 PolarHBondContact O-N 2.99Å; L143-G147 PolarHBondContact O-N 3.42Å; L143-L148 HydrophobicContact CB-CB 4.18Å; L143-L148 HydrophobicContact CD2-CB 3.98Å; L143-L148 HydrophobicContact CD2-CD1 4Å; L143-L148 WeakPolarHBondContact O-CA 3.27Å; L143-L148 WeakPolarHBondContact O-CB 3.34Å; L143-L148 PolarHBondContact O-N 2.58Å; L143-I151 HydrophobicContact CD1-CB 4.03Å; L143-I151 HydrophobicContact CD1-CG2 3.78Å; L143-I151 HydrophobicContact CD2-CB 4.33Å; L143-I151 HydrophobicContact CD2-CD1 4.49Å; L143-I151 HydrophobicContact CD2-CG2 4.34Å; L143-A152 HydrophobicContact CB-CB 4.2Å; L143-A152 HydrophobicContact CD1-CB 4.35Å; L143-I155 HydrophobicContact CD1-CD1 3.82Å
144	P	86.2	Confident	85	Confident	17 Å²	17	75 Å²	75	11%	0.11	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-54.9	-40.1	168.7	-30.7	38.5	0	0	0	114.2	I140 Q146 G147 D149 A152 V177	I140-P144 WeakPolarHBondContact O-CD 3.37Å; I140-P144 WeakPolarHBondContact O-CG 3.28Å; P144-Q146 PolarHBondContact O-N 3.34Å; P144-G147 PolarHBondContact O-N 3.48Å; P144-D149 WeakPolarHBondContact CB-OD1 3.47Å; P144-A152 HydrophobicContact CG-CB 4.42Å; P144-V177 HydrophobicContact CG-CG2 3.63Å
145	A	85.6	Confident	86.2	Confident	86 Å²	86	73.3 Å²	73.3	71%	0.711	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63.3	-11.4	175.9	0	0	0	0	0	113.8	T141 L143	T141-A145 PolarHBondContact O-N 3.36Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.45Å
146	Q	87.3	Confident	87.3	Confident	138 Å²	138	67.1 Å²	67.1	65%	0.645	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-108.9	5	173.7	-65.1	176.3	3.2	0	0	113	A142 L143 P144 L148	A142-Q146 WeakPolarHBondContact O-CG 3.19Å; A142-Q146 PolarHBondContact O-N 3.08Å; L143-Q146 CarbonylContact O-C 3.56Å; L143-Q146 WeakPolarHBondContact O-CA 3Å; L143-Q146 PolarHBondContact O-N 2.99Å; P144-Q146 PolarHBondContact O-N 3.34Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; Q146-L148 HydrophobicContact CB-CD1 4.17Å; Q146-L148 HydrophobicContact CB-CG 4.21Å
147	G	86.6	Confident	88.3	Confident	55 Å²	55	62.8 Å²	62.8	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	20.5	-173.8	0	0	0	0	0	114.1	L143 P144	L143-G147 PolarHBondContact O-N 3.42Å; P144-G147 PolarHBondContact O-N 3.48Å
148	L	90.4	Very high	89.1	Confident	56 Å²	56	61.7 Å²	61.7	29%	0.293	34%	0.342	S	S	.	.			trans	-105.6	32.7	-177.8	-60	176.3	0	0	0	111.9	L143 Q146 H150 I151	L143-L148 HydrophobicContact CB-CB 4.18Å; L143-L148 HydrophobicContact CD2-CB 3.98Å; L143-L148 HydrophobicContact CD2-CD1 4Å; L143-L148 WeakPolarHBondContact O-CA 3.27Å; L143-L148 WeakPolarHBondContact O-CB 3.34Å; L143-L148 PolarHBondContact O-N 2.58Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; Q146-L148 HydrophobicContact CB-CD1 4.17Å; Q146-L148 HydrophobicContact CB-CG 4.21Å; L148-H150 PolarHBondContact O-N 3.3Å; L148-H150 VanDerWaalsContact O-N 3.14Å; L148-I151 HydrophobicContact CB-CD1 4.05Å; L148-I151 HydrophobicContact CB-CG1 4.21Å; L148-I151 HydrophobicContact CD1-CD1 4.2Å; L148-I151 HydrophobicContact CD2-CD1 4.25Å; L148-I151 HydrophobicContact CG-CD1 4.4Å; L148-I151 WeakPolarHBondContact O-CB 3.44Å; L148-I151 PolarHBondContact O-N 3.27Å
149	D	88.4	Confident	89.6	Confident	45 Å²	45	61.5 Å²	61.5	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-48.9	-42.2	-178.8	-58.4	-108.9	0	0	0	112.2	P144 I151 A152 E153 R176	P144-D149 WeakPolarHBondContact CB-OD1 3.47Å; D149-I151 PolarHBondContact O-N 3.15Å; D149-I151 VanDerWaalsContact O-N 3.11Å; D149-A152 WeakPolarHBondContact O-CA 3.4Å; D149-A152 WeakPolarHBondContact O-CB 3.22Å; D149-A152 PolarHBondContact O-N 3.12Å; D149-E153 WeakPolarHBondContact O-CG 3.12Å; D149-E153 PolarHBondContact O-N 3.07Å; D149-R176 IonicContact OD1-NH2 3.14Å; D149-R176 PolarHBondContact OD1-NH2 3.24Å; D149-R176 VanDerWaalsContact OD1-NH2 3.1Å
150	H	89.9	Confident	89.9	Confident	103 Å²	103	59 Å²	59	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-56.4	-28.2	177.1	70.8	-84	0	0	0	114.1	L148 N154	L148-H150 PolarHBondContact O-N 3.3Å; L148-H150 VanDerWaalsContact O-N 3.14Å; H150-N154 WeakPolarHBondContact O-CB 3.3Å; H150-N154 PolarHBondContact O-N 2.85Å; H150-N154 PolarHBondContact O-ND2 3.36Å
151	I	91.7	Very high	90.2	Very high	63 Å²	63	59.5 Å²	59.5	32%	0.323	34%	0.337	S	S	.	.	H	α-helix	trans	-76.5	-41.4	175.7	-52.4	-173.1	0	0	0	110.2	L143 L148 D149 N154 I155	L143-I151 HydrophobicContact CD1-CB 4.03Å; L143-I151 HydrophobicContact CD1-CG2 3.78Å; L143-I151 HydrophobicContact CD2-CB 4.33Å; L143-I151 HydrophobicContact CD2-CD1 4.49Å; L143-I151 HydrophobicContact CD2-CG2 4.34Å; L148-I151 HydrophobicContact CB-CD1 4.05Å; L148-I151 HydrophobicContact CB-CG1 4.21Å; L148-I151 HydrophobicContact CD1-CD1 4.2Å; L148-I151 HydrophobicContact CD2-CD1 4.25Å; L148-I151 HydrophobicContact CG-CD1 4.4Å; L148-I151 WeakPolarHBondContact O-CB 3.44Å; L148-I151 PolarHBondContact O-N 3.27Å; D149-I151 PolarHBondContact O-N 3.15Å; D149-I151 VanDerWaalsContact O-N 3.11Å; I151-N154 PolarHBondContact O-N 3.36Å; I151-I155 HydrophobicContact CG2-CD1 4.24Å; I151-I155 VanDerWaalsContact O-CG1 3.31Å; I151-I155 WeakPolarHBondContact O-CG1 3.36Å; I151-I155 PolarHBondContact O-N 2.96Å
152	A	90.4	Very high	90.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-42	173.9	0	0	0	0	0	111.5	I140 L143 P144 D149 N154 I155 L156 V177	I140-A152 HydrophobicContact CD1-CB 3.91Å; L143-A152 HydrophobicContact CB-CB 4.2Å; L143-A152 HydrophobicContact CD1-CB 4.35Å; P144-A152 HydrophobicContact CG-CB 4.42Å; D149-A152 WeakPolarHBondContact O-CA 3.4Å; D149-A152 WeakPolarHBondContact O-CB 3.22Å; D149-A152 PolarHBondContact O-N 3.12Å; A152-N154 PolarHBondContact O-N 3.06Å; A152-I155 PolarHBondContact O-N 2.85Å; A152-L156 WeakPolarHBondContact O-CG 3.42Å; A152-L156 PolarHBondContact O-N 2.89Å; A152-V177 HydrophobicContact CB-CG1 4.01Å
153	E	92.2	Very high	91	Very high	47 Å²	47	67.7 Å²	67.7	22%	0.22	36%	0.362	C	S	.	.	H	α-helix	trans	-56.9	-46.2	171.1	-71	179.8	-122.5	0	0	112.1	D149 L156 S157 V177 G181 L183 K186	D149-E153 WeakPolarHBondContact O-CG 3.12Å; D149-E153 PolarHBondContact O-N 3.07Å; E153-L156 PolarHBondContact O-N 2.68Å; E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 3.31Å; E153-V177 HydrophobicContact CG-CG1 4.34Å; E153-G181 WeakPolarHBondContact OE2-CA 3.37Å; E153-L183 HydrophobicContact CB-CD2 4.35Å; E153-K186 IonicContact OE2-NZ 2.76Å; E153-K186 PolarHBondContact OE2-NZ 3.03Å
154	N	92.4	Very high	91.2	Very high	91 Å²	91	66.8 Å²	66.8	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-44.6	179.4	-76.7	-17.6	0	0	0	111.7	H150 I151 A152 L156 S157 F158	H150-N154 WeakPolarHBondContact O-CB 3.3Å; H150-N154 PolarHBondContact O-N 2.85Å; H150-N154 PolarHBondContact O-ND2 3.36Å; I151-N154 PolarHBondContact O-N 3.36Å; A152-N154 PolarHBondContact O-N 3.06Å; N154-L156 PolarHBondContact O-N 3.11Å; N154-S157 PolarHBondContact O-N 3.21Å; N154-S157 PolarHBondContact O-OG 3.46Å; N154-F158 WeakPolarHBondContact O-CD2 3.46Å; N154-F158 WeakPolarHBondContact O-CE2 3.37Å
155	I	92.9	Very high	91.6	Very high	81 Å²	81	68.4 Å²	68.4	42%	0.415	37%	0.369	S	S	.	.	H	α-helix	trans	-56.8	-49.5	175.6	-69.1	162.8	0	0	0	110.6	I140 L143 I151 A152 S157 F158	I140-I155 HydrophobicContact CD1-CB 4.25Å; I140-I155 HydrophobicContact CD1-CG2 4.06Å; L143-I155 HydrophobicContact CD1-CD1 3.82Å; I151-I155 HydrophobicContact CG2-CD1 4.24Å; I151-I155 VanDerWaalsContact O-CG1 3.31Å; I151-I155 WeakPolarHBondContact O-CG1 3.36Å; I151-I155 PolarHBondContact O-N 2.96Å; A152-I155 PolarHBondContact O-N 2.85Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.14Å; I155-F158 PolarHBondContact O-N 3.01Å
156	L	93.4	Very high	92	Very high	7 Å²	7	67 Å²	67	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-71.2	-25.2	-178.6	-64.9	170.1	0	0	0	112.9	I140 A152 E153 N154 F158 L159 A167 W174 V177 I178 L183	I140-L156 HydrophobicContact CD1-CD1 4.1Å; I140-L156 HydrophobicContact CD1-CD2 4.1Å; I140-L156 HydrophobicContact CD1-CG 3.81Å; I140-L156 HydrophobicContact CG1-CD1 4.49Å; I140-L156 HydrophobicContact CG1-CD2 4.25Å; I140-L156 HydrophobicContact CG1-CG 4.41Å; I140-L156 HydrophobicContact CG2-CD1 3.93Å; A152-L156 WeakPolarHBondContact O-CG 3.42Å; A152-L156 PolarHBondContact O-N 2.89Å; E153-L156 PolarHBondContact O-N 2.68Å; N154-L156 PolarHBondContact O-N 3.11Å; L156-F158 PolarHBondContact O-N 2.88Å; L156-L159 HydrophobicContact CB-CD1 4.47Å; L156-L159 HydrophobicContact CD2-CD1 3.71Å; L156-L159 WeakPolarHBondContact O-CB 3.42Å; L156-L159 WeakPolarHBondContact O-CG 3.13Å; L156-L159 PolarHBondContact O-N 2.89Å; L156-L159 VanDerWaalsContact O-N 3.14Å; L156-A167 HydrophobicContact CD2-CB 4.29Å; L156-W174 HydrophobicContact CD2-CE3 4.38Å; L156-W174 HydrophobicContact CD2-CZ3 4.2Å; L156-V177 HydrophobicContact CD1-CG1 3.88Å; L156-I178 HydrophobicContact CD1-CG1 3.86Å; L156-L183 HydrophobicContact CB-CD1 3.36Å; L156-L183 HydrophobicContact CD1-CD1 3.94Å; L156-L183 HydrophobicContact CG-CD1 4.31Å
157	S	92.7	Very high	92.3	Very high	39 Å²	39	60.7 Å²	60.7	27%	0.273	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-18.4	178.2	79.5	0	0	0	0	114.4	E153 N154 I155 R190	E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 3.31Å; N154-S157 PolarHBondContact O-N 3.21Å; N154-S157 PolarHBondContact O-OG 3.46Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.14Å; S157-R190 PolarHBondContact O-NH1 2.86Å
158	F	93.5	Very high	92.5	Very high	162 Å²	162	58.7 Å²	58.7	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.6	175.4	-69.7	-73.4	0	0	0	113.2	N154 I155 L156 R190	N154-F158 WeakPolarHBondContact O-CD2 3.46Å; N154-F158 WeakPolarHBondContact O-CE2 3.37Å; I155-F158 PolarHBondContact O-N 3.01Å; L156-F158 PolarHBondContact O-N 2.88Å; F158-R190 PolarHBondContact O-NH1 3.14Å
159	L	93.6	Very high	92.7	Very high	53 Å²	53	63.3 Å²	63.3	28%	0.277	33%	0.328	S	S	.	.			trans	-57.8	152.8	-174.4	-61.8	-179.2	0	0	0	113.4	L156 L164 A167 R190	L156-L159 HydrophobicContact CB-CD1 4.47Å; L156-L159 HydrophobicContact CD2-CD1 3.71Å; L156-L159 WeakPolarHBondContact O-CB 3.42Å; L156-L159 WeakPolarHBondContact O-CG 3.13Å; L156-L159 PolarHBondContact O-N 2.89Å; L156-L159 VanDerWaalsContact O-N 3.14Å; L159-L164 HydrophobicContact CB-CB 4.49Å; L159-L164 HydrophobicContact CD1-CD1 4.42Å; L159-A167 HydrophobicContact CD1-CB 3.99Å; L159-R190 PolarHBondContact O-NH2 2.94Å
160	D	93.3	Very high	92.9	Very high	78 Å²	78	65.1 Å²	65.1	42%	0.417	34%	0.341	S	S	.	.			trans	-81.1	167.6	164.3	87.8	-68.5	0	0	0	110.5	R162 S163 L164	D160-R162 VanDerWaalsContact C-N 3.27Å; D160-R162 PolarHBondContact O-N 3.32Å; D160-R162 WeakPolarHBondContact OD2-CB 3.33Å; D160-R162 PolarHBondContact OD2-N 3.4Å; D160-S163 PolarHBondContact O-N 2.91Å; D160-S163 WeakPolarHBondContact OD1-CB 3.46Å; D160-S163 PolarHBondContact OD1-N 3.45Å; D160-S163 PolarHBondContact OD1-OG 3.39Å; D160-L164 WeakPolarHBondContact O-CB 3.46Å; D160-L164 PolarHBondContact O-N 2.97Å
161	A	92.6	Very high	93	Very high	15 Å²	15	62.6 Å²	62.6	12%	0.124	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-35.1	-178.9	0	0	0	0	0	113.9	L164 C165 W184 L187 Y229	A161-L164 PolarHBondContact O-N 2.69Å; A161-C165 PolarHBondContact O-N 3.47Å; A161-C165 PolarHBondContact O-SG 3.27Å; A161-W184 HydrophobicContact CB-CH2 4.19Å; A161-W184 HydrophobicContact CB-CZ3 4.08Å; A161-L187 HydrophobicContact CB-CD2 4.02Å; A161-Y229 HydrophobicContact CB-CD1 4.25Å; A161-Y229 HydrophobicContact CB-CE1 3.44Å; A161-Y229 VanDerWaalsContact CB-CE1 3.44Å; A161-Y229 HydrophobicContact CB-CE2 4.18Å; A161-Y229 VanDerWaalsContact CB-CZ 3.42Å; A161-Y229 WeakPolarHBondContact CB-OH 3.47Å
162	R	94	Very high	93	Very high	211 Å²	211	68.8 Å²	68.8	80%	0.796	36%	0.359	S	S	*	.	H	α-helix	trans	-70.1	-43.5	178.5	-172.7	-179.6	-67.7	176.1	0.3	111.1	D160 L164 A166	D160-R162 VanDerWaalsContact C-N 3.27Å; D160-R162 PolarHBondContact O-N 3.32Å; D160-R162 WeakPolarHBondContact OD2-CB 3.33Å; D160-R162 PolarHBondContact OD2-N 3.4Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-A166 PolarHBondContact O-N 3.04Å
163	S	95.3	Very high	92.9	Very high	51 Å²	51	71.4 Å²	71.4	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-70	-30	175.6	-54.4	0	0	0	0	112.2	D160 A166 A167	D160-S163 PolarHBondContact O-N 2.91Å; D160-S163 WeakPolarHBondContact OD1-CB 3.46Å; D160-S163 PolarHBondContact OD1-N 3.45Å; D160-S163 PolarHBondContact OD1-OG 3.39Å; S163-A166 PolarHBondContact O-N 3.47Å; S163-A167 WeakPolarHBondContact O-CB 3.49Å; S163-A167 PolarHBondContact O-N 3.44Å
164	L	93.7	Very high	92.9	Very high	4 Å²	4	71.7 Å²	71.7	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-46.8	174	-170.8	61.9	0	0	0	111.6	L159 D160 A161 R162 A166 A167 E168 I178 L183 W184 L187	L159-L164 HydrophobicContact CB-CB 4.49Å; L159-L164 HydrophobicContact CD1-CD1 4.42Å; D160-L164 WeakPolarHBondContact O-CB 3.46Å; D160-L164 PolarHBondContact O-N 2.97Å; A161-L164 PolarHBondContact O-N 2.69Å; R162-L164 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 3.23Å; L164-A167 WeakPolarHBondContact O-CB 3.33Å; L164-A167 PolarHBondContact O-N 2.98Å; L164-A167 VanDerWaalsContact O-N 3.12Å; L164-E168 WeakPolarHBondContact O-CG 3.42Å; L164-E168 PolarHBondContact O-N 3.38Å; L164-I178 HydrophobicContact CD1-CD1 4.27Å; L164-I178 HydrophobicContact CD1-CG1 4.18Å; L164-I178 HydrophobicContact CD1-CG2 4.01Å; L164-L183 HydrophobicContact CD1-CB 4.37Å; L164-L183 HydrophobicContact CD1-CD1 4.14Å; L164-L183 HydrophobicContact CD2-CB 4.41Å; L164-W184 HydrophobicContact CB-CH2 4.42Å; L164-W184 HydrophobicContact CB-CZ2 4.28Å; L164-W184 HydrophobicContact CD2-CD2 3.81Å; L164-W184 HydrophobicContact CD2-CE3 4.12Å; L164-W184 HydrophobicContact CD2-CG 4.32Å; L164-W184 HydrophobicContact CD2-CH2 4.12Å; L164-W184 HydrophobicContact CD2-CZ2 3.84Å; L164-W184 HydrophobicContact CD2-CZ3 4.27Å; L164-W184 HydrophobicContact CG-CH2 4.45Å; L164-W184 HydrophobicContact CG-CZ2 3.95Å; L164-L187 HydrophobicContact CD2-CD2 3.95Å
165	C	93.2	Very high	92.9	Very high	52 Å²	52	70.7 Å²	70.7	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-31.4	170.6	-71.1	0	0	0	0	112.9	A161 L169 W184	A161-C165 PolarHBondContact O-N 3.47Å; A161-C165 PolarHBondContact O-SG 3.27Å; C165-L169 WeakPolarHBondContact O-CG 3.13Å; C165-W184 VanDerWaalsContact SG-CH2 3.52Å; C165-W184 VanDerWaalsContact SG-CZ2 3.52Å
166	A	94.1	Very high	92.9	Very high	57 Å²	57	70 Å²	70	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-71.7	-39.1	174.1	0	0	0	0	0	112	R162 S163 L164 L169	R162-A166 PolarHBondContact O-N 3.04Å; S163-A166 PolarHBondContact O-N 3.47Å; L164-A166 PolarHBondContact O-N 3.23Å; A166-L169 PolarHBondContact O-N 2.85Å
167	A	93.6	Very high	92.8	Very high	4 Å²	4	69.9 Å²	69.9	3%	0.033	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-39.9	175.7	0	0	0	0	0	112.1	L156 L159 S163 L164 L169 V170 W174 I178	L156-A167 HydrophobicContact CD2-CB 4.29Å; L159-A167 HydrophobicContact CD1-CB 3.99Å; S163-A167 WeakPolarHBondContact O-CB 3.49Å; S163-A167 PolarHBondContact O-N 3.44Å; L164-A167 WeakPolarHBondContact O-CB 3.33Å; L164-A167 PolarHBondContact O-N 2.98Å; L164-A167 VanDerWaalsContact O-N 3.12Å; A167-L169 PolarHBondContact O-N 3.1Å; A167-V170 WeakPolarHBondContact O-CB 3.36Å; A167-V170 PolarHBondContact O-N 2.76Å; A167-V170 VanDerWaalsContact O-N 3.15Å; A167-W174 HydrophobicContact CB-CE3 3.78Å; A167-W174 HydrophobicContact CB-CZ3 3.95Å; A167-W174 WeakPolarHBondContact O-CB 3.36Å; A167-I178 HydrophobicContact CB-CD1 3.79Å
168	E	92	Very high	92.7	Very high	14 Å²	14	68 Å²	68	7%	0.065	34%	0.341	C	S	.	.	H	α-helix	trans	-57.1	-32.7	172.8	-77.8	-174.5	130.1	0	0	113	L164 Q175 I178 W184 H226	L164-E168 WeakPolarHBondContact O-CG 3.42Å; L164-E168 PolarHBondContact O-N 3.38Å; E168-Q175 VanDerWaalsContact CB-OE1 3.28Å; E168-Q175 PolarHBondContact O-OE1 3.41Å; E168-Q175 PolarHBondContact OE1-NE2 3.34Å; E168-I178 HydrophobicContact CB-CD1 4.33Å; E168-I178 HydrophobicContact CG-CB 4.29Å; E168-I178 HydrophobicContact CG-CD1 3.59Å; E168-I178 HydrophobicContact CG-CG1 4.49Å; E168-I178 HydrophobicContact CG-CG2 3.72Å; E168-W184 PolarHBondContact OE1-NE1 2.89Å; E168-W184 WeakPolarHBondContact OE2-CZ2 3.31Å; E168-W184 PolarHBondContact OE2-NE1 2.76Å; E168-H226 IonicContact OE1-CD2 2.73Å; E168-H226 IonicContact OE2-CD2 3.41Å; E168-H226 IonicContact OE2-NE2 3.59Å
169	L	93.4	Very high	92.6	Very high	153 Å²	153	62.4 Å²	62.4	80%	0.801	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.5	-179.8	-64.9	172.4	0	0	0	114.5	C165 A166 A167	C165-L169 WeakPolarHBondContact O-CG 3.13Å; A166-L169 PolarHBondContact O-N 2.85Å; A167-L169 PolarHBondContact O-N 3.1Å
170	V	93.4	Very high	92.4	Very high	83 Å²	83	65.7 Å²	65.7	50%	0.503	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-57.4	-178.1	174.5	0	0	0	0	111.7	A167 W174	A167-V170 WeakPolarHBondContact O-CB 3.36Å; A167-V170 PolarHBondContact O-N 2.76Å; A167-V170 VanDerWaalsContact O-N 3.15Å; V170-W174 HydrophobicContact CB-CB 4.35Å; V170-W174 HydrophobicContact CB-CD2 3.78Å; V170-W174 HydrophobicContact CB-CE3 3.91Å; V170-W174 HydrophobicContact CB-CG 4Å; V170-W174 HydrophobicContact CG1-CD2 3.79Å; V170-W174 HydrophobicContact CG1-CE3 4.26Å; V170-W174 HydrophobicContact CG1-CG 4.05Å; V170-W174 HydrophobicContact CG1-CZ2 4.31Å; V170-W174 HydrophobicContact CG2-CD2 4.18Å; V170-W174 HydrophobicContact CG2-CE3 3.8Å; V170-W174 HydrophobicContact CG2-CZ3 4.05Å
171	C	91.7	Very high	92.1	Very high	49 Å²	49	62.2 Å²	62.2	33%	0.331	32%	0.318	S	S	.	.			trans	-161.7	172.1	176.1	84.5	0	0	0	0	111.7	E173 W174 Q175	C171-E173 VanDerWaalsContact C-N 3.28Å; C171-E173 PolarHBondContact O-N 2.73Å; C171-E173 PolarHBondContact SG-N 3.14Å; C171-E173 VanDerWaalsContact SG-N 3.36Å; C171-W174 PolarHBondContact O-N 3.19Å; C171-W174 PolarHBondContact SG-N 2.94Å; C171-Q175 PolarHBondContact O-N 3.06Å
172	K	91.3	Very high	92	Very high	194 Å²	194	63.6 Å²	63.6	84%	0.843	32%	0.323	S	S	*	.	H	α-helix	trans	-60.8	-32.9	179.1	-69.1	-172.9	177.5	-176.4	0	113.9	R176	K172-R176 WeakPolarHBondContact O-CB 3.39Å; K172-R176 PolarHBondContact O-N 3.15Å
173	E	88.7	Confident	91.9	Very high	55 Å²	55	53.7 Å²	53.7	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-74.6	-38.8	-179.4	-170.6	58.3	-160.2	0	0	111.5	T141 C171 R176 V177	T141-E173 HydrophobicContact CG2-CG 4.13Å; C171-E173 VanDerWaalsContact C-N 3.28Å; C171-E173 PolarHBondContact O-N 2.73Å; C171-E173 PolarHBondContact SG-N 3.14Å; C171-E173 VanDerWaalsContact SG-N 3.36Å; E173-R176 VanDerWaalsContact CD-NE 3.31Å; E173-R176 WeakPolarHBondContact O-CB 3.39Å; E173-R176 PolarHBondContact O-N 2.94Å; E173-R176 VanDerWaalsContact O-N 3.15Å; E173-R176 IonicContact OE1-CZ 2.85Å; E173-R176 IonicContact OE1-NE 3.2Å; E173-R176 PolarHBondContact OE1-NE 3Å; E173-R176 IonicContact OE1-NH2 3.68Å; E173-R176 PolarHBondContact OE1-NH2 2.95Å; E173-R176 IonicContact OE2-NE 3.76Å; E173-R176 PolarHBondContact OE2-NE 2.84Å; E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 3.29Å
174	W	92.9	Very high	91.8	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.197	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-47.3	170.5	-74.8	47.5	0	0	0	110.6	D138 I140 L156 A167 V170 C171 R176 V177 I178	D138-W174 VanDerWaalsContact CG-NE1 3.31Å; D138-W174 PolarHBondContact OD1-NE1 3.17Å; D138-W174 PolarHBondContact OD2-NE1 3.46Å; I140-W174 HydrophobicContact CB-CD2 3.97Å; I140-W174 HydrophobicContact CB-CG 4.25Å; I140-W174 HydrophobicContact CB-CH2 4.49Å; I140-W174 HydrophobicContact CB-CZ2 3.83Å; I140-W174 HydrophobicContact CG1-CD2 4.24Å; I140-W174 HydrophobicContact CG1-CE3 4.43Å; I140-W174 HydrophobicContact CG1-CH2 3.87Å; I140-W174 HydrophobicContact CG1-CZ2 3.64Å; I140-W174 HydrophobicContact CG1-CZ3 4.26Å; I140-W174 HydrophobicContact CG2-CB 4.37Å; I140-W174 HydrophobicContact CG2-CD2 3.83Å; I140-W174 HydrophobicContact CG2-CE3 4.45Å; I140-W174 HydrophobicContact CG2-CG 3.76Å; L156-W174 HydrophobicContact CD2-CE3 4.38Å; L156-W174 HydrophobicContact CD2-CZ3 4.2Å; A167-W174 HydrophobicContact CB-CE3 3.78Å; A167-W174 HydrophobicContact CB-CZ3 3.95Å; A167-W174 WeakPolarHBondContact O-CB 3.36Å; V170-W174 HydrophobicContact CB-CB 4.35Å; V170-W174 HydrophobicContact CB-CD2 3.78Å; V170-W174 HydrophobicContact CB-CE3 3.91Å; V170-W174 HydrophobicContact CB-CG 4Å; V170-W174 HydrophobicContact CG1-CD2 3.79Å; V170-W174 HydrophobicContact CG1-CE3 4.26Å; V170-W174 HydrophobicContact CG1-CG 4.05Å; V170-W174 HydrophobicContact CG1-CZ2 4.31Å; V170-W174 HydrophobicContact CG2-CD2 4.18Å; V170-W174 HydrophobicContact CG2-CE3 3.8Å; V170-W174 HydrophobicContact CG2-CZ3 4.05Å; C171-W174 PolarHBondContact O-N 3.19Å; C171-W174 PolarHBondContact SG-N 2.94Å; W174-R176 VanDerWaalsContact C-N 3.28Å; W174-R176 PolarHBondContact O-N 3.31Å; W174-V177 PolarHBondContact O-N 2.9Å; W174-I178 WeakPolarHBondContact O-CB 3.33Å; W174-I178 VanDerWaalsContact O-CD1 3.31Å; W174-I178 WeakPolarHBondContact O-CD1 2.99Å; W174-I178 WeakPolarHBondContact O-CG1 3.24Å; W174-I178 PolarHBondContact O-N 3.02Å
175	Q	91.8	Very high	91.7	Very high	70 Å²	70	52.2 Å²	52.2	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-38.3	173.9	-174.5	66.3	74.4	0	0	112.5	E168 C171 S179	E168-Q175 VanDerWaalsContact CB-OE1 3.28Å; E168-Q175 PolarHBondContact O-OE1 3.41Å; E168-Q175 PolarHBondContact OE1-NE2 3.34Å; C171-Q175 PolarHBondContact O-N 3.06Å; Q175-S179 VanDerWaalsContact O-CB 3.29Å; Q175-S179 WeakPolarHBondContact O-CB 3.46Å; Q175-S179 PolarHBondContact O-N 3.35Å; Q175-S179 PolarHBondContact O-OG 2.94Å; Q175-S179 VanDerWaalsContact O-OG 3.14Å
176	R	92.1	Very high	91.6	Very high	68 Å²	68	53.2 Å²	53.2	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-59.5	-58.6	175.3	-169.6	-170.7	73.5	78.1	2.9	110.4	D149 K172 E173 W174 I178 S179 E180	D149-R176 IonicContact OD1-NH2 3.14Å; D149-R176 PolarHBondContact OD1-NH2 3.24Å; D149-R176 VanDerWaalsContact OD1-NH2 3.1Å; K172-R176 WeakPolarHBondContact O-CB 3.39Å; K172-R176 PolarHBondContact O-N 3.15Å; E173-R176 VanDerWaalsContact CD-NE 3.31Å; E173-R176 WeakPolarHBondContact O-CB 3.39Å; E173-R176 PolarHBondContact O-N 2.94Å; E173-R176 VanDerWaalsContact O-N 3.15Å; E173-R176 IonicContact OE1-CZ 2.85Å; E173-R176 IonicContact OE1-NE 3.2Å; E173-R176 PolarHBondContact OE1-NE 3Å; E173-R176 IonicContact OE1-NH2 3.68Å; E173-R176 PolarHBondContact OE1-NH2 2.95Å; E173-R176 IonicContact OE2-NE 3.76Å; E173-R176 PolarHBondContact OE2-NE 2.84Å; W174-R176 VanDerWaalsContact C-N 3.28Å; W174-R176 PolarHBondContact O-N 3.31Å; R176-I178 VanDerWaalsContact C-N 3.3Å; R176-I178 PolarHBondContact O-N 3.46Å; R176-S179 WeakPolarHBondContact O-CA 3.5Å; R176-S179 PolarHBondContact O-N 3.19Å; R176-S179 PolarHBondContact O-OG 2.79Å; R176-E180 VanDerWaalsContact CD-OE1 3.24Å; R176-E180 WeakPolarHBondContact CD-OE1 3.18Å; R176-E180 HydrophobicContact CG-CG 4.37Å; R176-E180 WeakPolarHBondContact CG-OE1 3.29Å; R176-E180 IonicContact CZ-OE1 2.72Å; R176-E180 IonicContact NE-OE1 3.1Å; R176-E180 IonicContact NH1-OE1 2.76Å; R176-E180 PolarHBondContact NH1-OE1 3.47Å; R176-E180 IonicContact NH1-OE2 3.18Å; R176-E180 PolarHBondContact NH1-OE2 3.21Å; R176-E180 PolarHBondContact O-N 3.05Å
177	V	91.6	Very high	91.6	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-42.6	179.4	175.9	0	0	0	0	111.7	I140 P144 A152 E153 L156 E173 W174 S179 G181	I140-V177 HydrophobicContact CG2-CB 4.39Å; I140-V177 HydrophobicContact CG2-CG1 4.49Å; I140-V177 HydrophobicContact CG2-CG2 4.37Å; P144-V177 HydrophobicContact CG-CG2 3.63Å; A152-V177 HydrophobicContact CB-CG1 4.01Å; E153-V177 HydrophobicContact CG-CG1 4.34Å; L156-V177 HydrophobicContact CD1-CG1 3.88Å; E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 3.29Å; W174-V177 PolarHBondContact O-N 2.9Å; V177-S179 VanDerWaalsContact C-N 3.28Å; V177-S179 PolarHBondContact O-N 3.14Å; V177-G181 WeakPolarHBondContact O-CA 3.44Å; V177-G181 PolarHBondContact O-N 2.85Å
178	I	92.1	Very high	91.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-35.5	177.7	-66.6	163.3	0	0	0	111.7	L156 L164 A167 E168 W174 R176 L183	L156-I178 HydrophobicContact CD1-CG1 3.86Å; L164-I178 HydrophobicContact CD1-CD1 4.27Å; L164-I178 HydrophobicContact CD1-CG1 4.18Å; L164-I178 HydrophobicContact CD1-CG2 4.01Å; A167-I178 HydrophobicContact CB-CD1 3.79Å; E168-I178 HydrophobicContact CB-CD1 4.33Å; E168-I178 HydrophobicContact CG-CB 4.29Å; E168-I178 HydrophobicContact CG-CD1 3.59Å; E168-I178 HydrophobicContact CG-CG1 4.49Å; E168-I178 HydrophobicContact CG-CG2 3.72Å; W174-I178 WeakPolarHBondContact O-CB 3.33Å; W174-I178 VanDerWaalsContact O-CD1 3.31Å; W174-I178 WeakPolarHBondContact O-CD1 2.99Å; W174-I178 WeakPolarHBondContact O-CG1 3.24Å; W174-I178 PolarHBondContact O-N 3.02Å; R176-I178 VanDerWaalsContact C-N 3.3Å; R176-I178 PolarHBondContact O-N 3.46Å; I178-L183 HydrophobicContact CB-CD1 4.25Å; I178-L183 HydrophobicContact CG1-CD1 3.95Å; I178-L183 HydrophobicContact CG2-CB 4.32Å; I178-L183 HydrophobicContact CG2-CD1 4.38Å; I178-L183 PolarHBondContact O-N 2.85Å; I178-L183 VanDerWaalsContact O-N 3.17Å
179	S	90.1	Very high	91.6	Very high	44 Å²	44	50.8 Å²	50.8	31%	0.308	25%	0.249	S	C	.	.	H	α-helix	trans	-82.1	-43.6	-178.2	72.6	0	0	0	0	114.8	Q175 R176 V177 M182 N222	Q175-S179 VanDerWaalsContact O-CB 3.29Å; Q175-S179 WeakPolarHBondContact O-CB 3.46Å; Q175-S179 PolarHBondContact O-N 3.35Å; Q175-S179 PolarHBondContact O-OG 2.94Å; Q175-S179 VanDerWaalsContact O-OG 3.14Å; R176-S179 WeakPolarHBondContact O-CA 3.5Å; R176-S179 PolarHBondContact O-N 3.19Å; R176-S179 PolarHBondContact O-OG 2.79Å; V177-S179 VanDerWaalsContact C-N 3.28Å; V177-S179 PolarHBondContact O-N 3.14Å; S179-M182 PolarHBondContact O-N 3.46Å; S179-N222 WeakPolarHBondContact CA-ND2 3.36Å
180	E	88.6	Confident	91.6	Very high	122 Å²	122	47.3 Å²	47.3	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-74.3	-39.7	178.4	-70.1	-177.3	-142.1	0	0	111.1	R176 M182	R176-E180 VanDerWaalsContact CD-OE1 3.24Å; R176-E180 WeakPolarHBondContact CD-OE1 3.18Å; R176-E180 HydrophobicContact CG-CG 4.37Å; R176-E180 WeakPolarHBondContact CG-OE1 3.29Å; R176-E180 IonicContact CZ-OE1 2.72Å; R176-E180 IonicContact NE-OE1 3.1Å; R176-E180 IonicContact NH1-OE1 2.76Å; R176-E180 PolarHBondContact NH1-OE1 3.47Å; R176-E180 IonicContact NH1-OE2 3.18Å; R176-E180 PolarHBondContact NH1-OE2 3.21Å; R176-E180 PolarHBondContact O-N 3.05Å; E180-M182 PolarHBondContact O-N 3.01Å; E180-M182 VanDerWaalsContact O-N 3.08Å
181	G	87.2	Confident	91.5	Very high	5 Å²	5	45.4 Å²	45.4	5%	0.052	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	1.9	173.7	0	0	0	0	0	114.9	E153 V177 L183 K186	E153-G181 WeakPolarHBondContact OE2-CA 3.37Å; V177-G181 WeakPolarHBondContact O-CA 3.44Å; V177-G181 PolarHBondContact O-N 2.85Å; G181-L183 WeakPolarHBondContact O-CD2 3.34Å; G181-L183 PolarHBondContact O-N 2.65Å; G181-K186 WeakPolarHBondContact O-CE 3.42Å; G181-K186 PolarHBondContact O-NZ 3.05Å
182	M	90.4	Very high	91.6	Very high	45 Å²	45	43.7 Å²	43.7	22%	0.222	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.6	178.1	-65.9	-69.2	-67.6	0	0	113.3	S179 E180 W184 K185 K186 I219 P220 N222 Y225	S179-M182 PolarHBondContact O-N 3.46Å; E180-M182 PolarHBondContact O-N 3.01Å; E180-M182 VanDerWaalsContact O-N 3.08Å; M182-W184 VanDerWaalsContact C-N 3.28Å; M182-W184 PolarHBondContact O-N 3.22Å; M182-K185 HydrophobicContact CB-CB 4.26Å; M182-K185 HydrophobicContact CE-CB 4.27Å; M182-K185 HydrophobicContact CE-CD 4.07Å; M182-K185 WeakPolarHBondContact O-CA 3.49Å; M182-K185 WeakPolarHBondContact O-CB 3.45Å; M182-K185 PolarHBondContact O-N 3.17Å; M182-K186 PolarHBondContact O-N 3.14Å; M182-I219 HydrophobicContact CE-CG2 4.41Å; M182-P220 WeakPolarHBondContact CE-O 3.45Å; M182-N222 WeakPolarHBondContact CA-OD1 3.22Å; M182-N222 HydrophobicContact CE-CB 4.44Å; M182-N222 HydrophobicContact SD-CB 3.7Å; M182-Y225 HydrophobicContact CE-CD2 3.83Å; M182-Y225 HydrophobicContact CE-CE2 3.58Å
183	L	92.3	Very high	91.6	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-28.2	-167	-60.7	-171.7	0	0	0	113.3	E153 L156 L164 I178 G181 K186 L187	E153-L183 HydrophobicContact CB-CD2 4.35Å; L156-L183 HydrophobicContact CB-CD1 3.36Å; L156-L183 HydrophobicContact CD1-CD1 3.94Å; L156-L183 HydrophobicContact CG-CD1 4.31Å; L164-L183 HydrophobicContact CD1-CB 4.37Å; L164-L183 HydrophobicContact CD1-CD1 4.14Å; L164-L183 HydrophobicContact CD2-CB 4.41Å; I178-L183 HydrophobicContact CB-CD1 4.25Å; I178-L183 HydrophobicContact CG1-CD1 3.95Å; I178-L183 HydrophobicContact CG2-CB 4.32Å; I178-L183 HydrophobicContact CG2-CD1 4.38Å; I178-L183 PolarHBondContact O-N 2.85Å; I178-L183 VanDerWaalsContact O-N 3.17Å; G181-L183 WeakPolarHBondContact O-CD2 3.34Å; G181-L183 PolarHBondContact O-N 2.65Å; L183-K186 HydrophobicContact CD2-CD 3.95Å; L183-K186 PolarHBondContact O-N 3.23Å; L183-L187 VanDerWaalsContact O-CB 3.28Å; L183-L187 WeakPolarHBondContact O-CB 3.5Å; L183-L187 PolarHBondContact O-N 3.37Å
184	W	93.3	Very high	91.7	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-34.3	172.8	-73.5	105.3	0	0	0	112.3	A161 L164 C165 E168 M182 L187 I188 N222 H226 Y229	A161-W184 HydrophobicContact CB-CH2 4.19Å; A161-W184 HydrophobicContact CB-CZ3 4.08Å; L164-W184 HydrophobicContact CB-CH2 4.42Å; L164-W184 HydrophobicContact CB-CZ2 4.28Å; L164-W184 HydrophobicContact CD2-CD2 3.81Å; L164-W184 HydrophobicContact CD2-CE3 4.12Å; L164-W184 HydrophobicContact CD2-CG 4.32Å; L164-W184 HydrophobicContact CD2-CH2 4.12Å; L164-W184 HydrophobicContact CD2-CZ2 3.84Å; L164-W184 HydrophobicContact CD2-CZ3 4.27Å; L164-W184 HydrophobicContact CG-CH2 4.45Å; L164-W184 HydrophobicContact CG-CZ2 3.95Å; C165-W184 VanDerWaalsContact SG-CH2 3.52Å; C165-W184 VanDerWaalsContact SG-CZ2 3.52Å; E168-W184 PolarHBondContact OE1-NE1 2.89Å; E168-W184 WeakPolarHBondContact OE2-CZ2 3.31Å; E168-W184 PolarHBondContact OE2-NE1 2.76Å; M182-W184 VanDerWaalsContact C-N 3.28Å; M182-W184 PolarHBondContact O-N 3.22Å; W184-L187 HydrophobicContact CE3-CD2 3.83Å; W184-L187 HydrophobicContact CZ3-CD2 3.69Å; W184-I188 VanDerWaalsContact O-CG1 3.32Å; W184-I188 WeakPolarHBondContact O-CG1 3.4Å; W184-I188 PolarHBondContact O-N 3.37Å; W184-I188 VanDerWaalsContact O-N 3.11Å; W184-N222 PolarHBondContact N-OD1 3.12Å; W184-H226 HydrophobicContact CD2-CB 4.27Å; W184-H226 AromaticContact CE2-CD2 3.98Å; W184-H226 HydrophobicContact CG-CB 3.95Å; W184-H226 AromaticContact NE1-CD2 3.5Å; W184-H226 PolarHBondContact NE1-CD2 3.11Å; W184-H226 AromaticContact NE1-CG 3.89Å; W184-Y229 HydrophobicContact CE3-CD2 4.03Å; W184-Y229 AromaticContact CE3-CG 3.96Å; W184-Y229 HydrophobicContact CE3-CG 3.96Å; W184-Y229 AromaticContact CZ3-CD1 3.93Å; W184-Y229 HydrophobicContact CZ3-CD1 3.93Å; W184-Y229 AromaticContact CZ3-CD2 3.9Å; W184-Y229 HydrophobicContact CZ3-CD2 3.9Å; W184-Y229 HydrophobicContact CZ3-CE1 4.49Å; W184-Y229 HydrophobicContact CZ3-CE2 4.44Å; W184-Y229 AromaticContact CZ3-CG 3.63Å; W184-Y229 HydrophobicContact CZ3-CG 3.63Å
185	K	91.6	Very high	91.6	Very high	19 Å²	19	44.4 Å²	44.4	8%	0.083	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-49.3	170	-175.9	178	-173.9	-83.8	0	110.3	M182 L187 I188 E189 Y210 L211 K213 Y225	M182-K185 HydrophobicContact CB-CB 4.26Å; M182-K185 HydrophobicContact CE-CB 4.27Å; M182-K185 HydrophobicContact CE-CD 4.07Å; M182-K185 WeakPolarHBondContact O-CA 3.49Å; M182-K185 WeakPolarHBondContact O-CB 3.45Å; M182-K185 PolarHBondContact O-N 3.17Å; K185-L187 VanDerWaalsContact C-N 3.3Å; K185-L187 PolarHBondContact O-N 3.31Å; K185-I188 PolarHBondContact O-N 3.03Å; K185-E189 HydrophobicContact CG-CG 4.47Å; K185-E189 IonicContact NZ-OE1 3.77Å; K185-E189 PolarHBondContact NZ-OE1 3.19Å; K185-E189 WeakPolarHBondContact O-CB 3.35Å; K185-E189 WeakPolarHBondContact O-CG 3.12Å; K185-E189 PolarHBondContact O-N 3.11Å; K185-Y210 WeakPolarHBondContact CE-O 3.44Å; K185-L211 HydrophobicContact CG-CD2 4.36Å; K185-K213 PolarHBondContact NZ-O 3.07Å; K185-Y225 HydrophobicContact CB-CD1 4.11Å; K185-Y225 HydrophobicContact CB-CD2 3.93Å; K185-Y225 HydrophobicContact CB-CE1 4.18Å; K185-Y225 HydrophobicContact CB-CE2 4Å; K185-Y225 HydrophobicContact CB-CG 3.97Å; K185-Y225 HydrophobicContact CD-CE1 4.37Å; K185-Y225 HydrophobicContact CD-CE2 3.95Å; K185-Y225 HydrophobicContact CG-CD1 4.32Å; K185-Y225 HydrophobicContact CG-CE1 3.91Å; K185-Y225 HydrophobicContact CG-CE2 4.13Å
186	K	91.7	Very high	91.5	Very high	74 Å²	74	45.1 Å²	45.1	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-36.9	178.4	-66.4	-178.5	-172	158.3	0	112.7	E153 G181 M182 L183 R190	E153-K186 IonicContact OE2-NZ 2.76Å; E153-K186 PolarHBondContact OE2-NZ 3.03Å; G181-K186 WeakPolarHBondContact O-CE 3.42Å; G181-K186 PolarHBondContact O-NZ 3.05Å; M182-K186 PolarHBondContact O-N 3.14Å; L183-K186 HydrophobicContact CD2-CD 3.95Å; L183-K186 PolarHBondContact O-N 3.23Å; K186-R190 WeakPolarHBondContact O-CB 3.46Å; K186-R190 PolarHBondContact O-N 2.61Å
187	L	93.7	Very high	91.5	Very high	9 Å²	9	42 Å²	42	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-49.3	175.9	176.5	58.9	0	0	0	111.5	A161 L164 L183 W184 K185 E189 R190 M191 Y229	A161-L187 HydrophobicContact CB-CD2 4.02Å; L164-L187 HydrophobicContact CD2-CD2 3.95Å; L183-L187 VanDerWaalsContact O-CB 3.28Å; L183-L187 WeakPolarHBondContact O-CB 3.5Å; L183-L187 PolarHBondContact O-N 3.37Å; W184-L187 HydrophobicContact CE3-CD2 3.83Å; W184-L187 HydrophobicContact CZ3-CD2 3.69Å; K185-L187 VanDerWaalsContact C-N 3.3Å; K185-L187 PolarHBondContact O-N 3.31Å; L187-E189 VanDerWaalsContact C-N 3.35Å; L187-R190 WeakPolarHBondContact O-CB 3.28Å; L187-R190 PolarHBondContact O-N 2.57Å; L187-M191 HydrophobicContact CD1-CG 4.49Å; L187-M191 WeakPolarHBondContact O-CG 3.28Å; L187-M191 PolarHBondContact O-N 2.9Å; L187-Y229 HydrophobicContact CD2-CD2 4.15Å; L187-Y229 HydrophobicContact CD2-CE2 3.78Å; L187-Y229 HydrophobicContact CG-CD2 4.45Å; L187-Y229 HydrophobicContact CG-CE2 3.99Å
188	I	93.3	Very high	91.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-43.6	176.5	-65.9	168.7	0	0	0	110.3	W184 K185 R190 M191 V192 W198 L211 Y225 L228 Y229 I232	W184-I188 VanDerWaalsContact O-CG1 3.32Å; W184-I188 WeakPolarHBondContact O-CG1 3.4Å; W184-I188 PolarHBondContact O-N 3.37Å; W184-I188 VanDerWaalsContact O-N 3.11Å; K185-I188 PolarHBondContact O-N 3.03Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 2.92Å; I188-M191 PolarHBondContact O-N 3.36Å; I188-V192 HydrophobicContact CG2-CG2 4.29Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 WeakPolarHBondContact O-CG2 3.49Å; I188-V192 PolarHBondContact O-N 2.74Å; I188-W198 HydrophobicContact CG1-CZ3 4.26Å; I188-W198 HydrophobicContact CG2-CZ3 4.43Å; I188-L211 HydrophobicContact CG2-CD1 4.01Å; I188-L211 HydrophobicContact CG2-CD2 4.02Å; I188-Y225 HydrophobicContact CD1-CD1 4.15Å; I188-L228 HydrophobicContact CD1-CD2 4.4Å; I188-Y229 HydrophobicContact CD1-CD2 4.47Å; I188-Y229 HydrophobicContact CG1-CD2 3.92Å; I188-I232 HydrophobicContact CD1-CD1 4.32Å; I188-I232 HydrophobicContact CG2-CD1 4.32Å
189	E	91.9	Very high	91.5	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-39.8	173.9	-79.2	-167.7	-159.7	0	0	113.1	K185 L187 R193 L211 F212	K185-E189 HydrophobicContact CG-CG 4.47Å; K185-E189 IonicContact NZ-OE1 3.77Å; K185-E189 PolarHBondContact NZ-OE1 3.19Å; K185-E189 WeakPolarHBondContact O-CB 3.35Å; K185-E189 WeakPolarHBondContact O-CG 3.12Å; K185-E189 PolarHBondContact O-N 3.11Å; L187-E189 VanDerWaalsContact C-N 3.35Å; E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.5Å; E189-R193 PolarHBondContact O-N 2.89Å; E189-R193 VanDerWaalsContact O-N 3.13Å; E189-R193 IonicContact OE2-NH2 2.79Å; E189-R193 PolarHBondContact OE2-NH2 2.77Å; E189-L211 HydrophobicContact CG-CB 4.17Å; E189-L211 HydrophobicContact CG-CD2 3.97Å; E189-F212 HydrophobicContact CB-CD1 4.21Å; E189-F212 HydrophobicContact CB-CE1 3.56Å; E189-F212 HydrophobicContact CB-CZ 4.26Å; E189-F212 VanDerWaalsContact CD-CD1 3.46Å; E189-F212 HydrophobicContact CG-CD1 3.71Å; E189-F212 HydrophobicContact CG-CE1 3.45Å; E189-F212 VanDerWaalsContact CG-CE1 3.45Å; E189-F212 HydrophobicContact CG-CZ 4.1Å; E189-F212 PolarHBondContact OE1-N 3.25Å; E189-F212 VanDerWaalsContact OE2-CD1 3.27Å; E189-F212 WeakPolarHBondContact OE2-CD1 3.31Å
190	R	93.4	Very high	91.4	Very high	80 Å²	80	45.5 Å²	45.5	30%	0.302	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-49.8	174.2	-176.3	178.1	68.7	173	1.7	110.5	S157 F158 L159 K186 L187 I188 V192 R193 T194	S157-R190 PolarHBondContact O-NH1 2.86Å; F158-R190 PolarHBondContact O-NH1 3.14Å; L159-R190 PolarHBondContact O-NH2 2.94Å; K186-R190 WeakPolarHBondContact O-CB 3.46Å; K186-R190 PolarHBondContact O-N 2.61Å; L187-R190 WeakPolarHBondContact O-CB 3.28Å; L187-R190 PolarHBondContact O-N 2.57Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 2.92Å; R190-V192 PolarHBondContact O-N 2.87Å; R190-R193 PolarHBondContact O-N 2.88Å; R190-T194 PolarHBondContact O-N 2.95Å; R190-T194 VanDerWaalsContact O-N 3.15Å; R190-T194 PolarHBondContact O-OG1 3.17Å; R190-T194 VanDerWaalsContact O-OG1 3.1Å
191	M	92.1	Very high	91.5	Very high	43 Å²	43	39.7 Å²	39.7	21%	0.212	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-44.6	179.1	-64.4	-56.5	-64.7	0	0	112	L187 I188 R193 T194 D195 W198	L187-M191 HydrophobicContact CD1-CG 4.49Å; L187-M191 WeakPolarHBondContact O-CG 3.28Å; L187-M191 PolarHBondContact O-N 2.9Å; I188-M191 PolarHBondContact O-N 3.36Å; M191-R193 VanDerWaalsContact C-N 3.28Å; M191-R193 PolarHBondContact O-N 2.97Å; M191-T194 PolarHBondContact O-N 3.18Å; M191-T194 VanDerWaalsContact O-N 3.11Å; M191-T194 PolarHBondContact O-OG1 2.96Å; M191-D195 PolarHBondContact O-N 2.87Å; M191-W198 HydrophobicContact CB-CB 4.31Å; M191-W198 HydrophobicContact CB-CD2 3.47Å; M191-W198 VanDerWaalsContact CB-CD2 3.47Å; M191-W198 HydrophobicContact CB-CE3 3.55Å; M191-W198 HydrophobicContact CB-CG 3.82Å; M191-W198 HydrophobicContact CB-CZ2 4.44Å; M191-W198 HydrophobicContact CB-CZ3 4.09Å; M191-W198 HydrophobicContact CE-CD2 4.45Å; M191-W198 HydrophobicContact CE-CZ2 4.15Å; M191-W198 HydrophobicContact CG-CD2 4.18Å; M191-W198 HydrophobicContact CG-CE3 4.21Å; M191-W198 HydrophobicContact CG-CH2 4.32Å; M191-W198 HydrophobicContact CG-CZ2 4.25Å; M191-W198 HydrophobicContact CG-CZ3 4.28Å
192	V	92.9	Very high	91.6	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.073	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-30.9	177.3	168.3	0	0	0	0	112.7	I188 R190 W198 K199 L211 F212	I188-V192 HydrophobicContact CG2-CG2 4.29Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 WeakPolarHBondContact O-CG2 3.49Å; I188-V192 PolarHBondContact O-N 2.74Å; R190-V192 PolarHBondContact O-N 2.87Å; V192-W198 HydrophobicContact CG2-CB 4.03Å; V192-K199 HydrophobicContact CG1-CB 4.41Å; V192-L211 HydrophobicContact CG2-CD1 4.06Å; V192-F212 HydrophobicContact CB-CZ 4.11Å; V192-F212 HydrophobicContact CG1-CE2 3.85Å; V192-F212 HydrophobicContact CG1-CZ 3.68Å
193	R	91	Very high	91.5	Very high	174 Å²	174	41 Å²	41	66%	0.657	20%	0.196	S	C	*	.	H	α-helix	trans	-76.6	-26.9	173.8	-69.1	174.7	-152.3	163	13.2	113.4	E189 R190 M191 F212	E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.5Å; E189-R193 PolarHBondContact O-N 2.89Å; E189-R193 VanDerWaalsContact O-N 3.13Å; E189-R193 IonicContact OE2-NH2 2.79Å; E189-R193 PolarHBondContact OE2-NH2 2.77Å; R190-R193 PolarHBondContact O-N 2.88Å; M191-R193 VanDerWaalsContact C-N 3.28Å; M191-R193 PolarHBondContact O-N 2.97Å; R193-F212 HydrophobicContact CG-CE1 4.11Å; R193-F212 HydrophobicContact CG-CZ 4.25Å
194	T	91.3	Very high	91.2	Very high	99 Å²	99	44.5 Å²	44.5	61%	0.607	21%	0.209	S	C	*	.	H	α-helix	trans	-102.8	-27.8	-172.9	54.5	0	0	0	0	115	R190 M191	R190-T194 PolarHBondContact O-N 2.95Å; R190-T194 VanDerWaalsContact O-N 3.15Å; R190-T194 PolarHBondContact O-OG1 3.17Å; R190-T194 VanDerWaalsContact O-OG1 3.1Å; M191-T194 PolarHBondContact O-N 3.18Å; M191-T194 VanDerWaalsContact O-N 3.11Å; M191-T194 PolarHBondContact O-OG1 2.96Å
195	D	91.4	Very high	90.9	Very high	44 Å²	44	47.9 Å²	47.9	24%	0.235	23%	0.225	C	C	.	.			trans	-121.7	117.4	-172.2	-173	-18	0	0	0	110.8	M191 L197 W198 K199	M191-D195 PolarHBondContact O-N 2.87Å; D195-L197 PolarHBondContact O-N 3.38Å; D195-L197 VanDerWaalsContact OD1-CB 3.29Å; D195-L197 WeakPolarHBondContact OD1-CB 3.37Å; D195-L197 PolarHBondContact OD1-N 2.99Å; D195-W198 HydrophobicContact CB-CB 4.32Å; D195-W198 HydrophobicContact CB-CG 4.3Å; D195-W198 PolarHBondContact O-N 2.82Å; D195-W198 VanDerWaalsContact O-N 3.09Å; D195-W198 VanDerWaalsContact OD2-CD1 3.28Å; D195-K199 PolarHBondContact O-N 3.46Å; D195-K199 VanDerWaalsContact O-N 3.11Å
196	P	89.1	Confident	90.5	Very high	84 Å²	84	51.9 Å²	51.9	55%	0.545	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-23.7	-179.8	27.4	-35.5	0	0	0	113.4	K199 G200	P196-K199 PolarHBondContact O-N 3.25Å; P196-G200 PolarHBondContact O-N 3Å
197	L	91.7	Very high	89.9	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-43.3	172.9	174.6	62.3	0	0	0	110.8	D195 L201 I236 E522 F523	D195-L197 PolarHBondContact O-N 3.38Å; D195-L197 VanDerWaalsContact OD1-CB 3.29Å; D195-L197 WeakPolarHBondContact OD1-CB 3.37Å; D195-L197 PolarHBondContact OD1-N 2.99Å; L197-L201 HydrophobicContact CD1-CD1 4.19Å; L197-L201 HydrophobicContact CD1-CG 4.39Å; L197-L201 HydrophobicContact CG-CD1 4.31Å; L197-L201 WeakPolarHBondContact O-CB 3.4Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.21Å; L197-L201 PolarHBondContact O-N 2.98Å; L197-I236 HydrophobicContact CD2-CB 4.37Å; L197-I236 HydrophobicContact CD2-CD1 4.01Å; L197-I236 HydrophobicContact CD2-CG1 3.79Å; L197-I236 HydrophobicContact CD2-CG2 3.82Å; L197-I236 HydrophobicContact CG-CD1 4.3Å; L197-I236 HydrophobicContact CG-CG1 4.12Å; L197-E522 HydrophobicContact CB-CB 4.47Å; L197-E522 HydrophobicContact CB-CG 4.07Å; L197-E522 HydrophobicContact CD1-CB 3.92Å; L197-E522 HydrophobicContact CD1-CG 4.41Å; L197-F523 HydrophobicContact CD1-CD1 4.45Å; L197-F523 HydrophobicContact CD1-CE1 3.58Å; L197-F523 HydrophobicContact CD1-CZ 3.79Å
198	W	93.2	Very high	89	Confident	8 Å²	8	53.5 Å²	53.5	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-39	177.3	-75.8	70.4	0	0	0	111.6	I188 M191 V192 D195 S202 Y229 I232 I233 I236	I188-W198 HydrophobicContact CG1-CZ3 4.26Å; I188-W198 HydrophobicContact CG2-CZ3 4.43Å; M191-W198 HydrophobicContact CB-CB 4.31Å; M191-W198 HydrophobicContact CB-CD2 3.47Å; M191-W198 VanDerWaalsContact CB-CD2 3.47Å; M191-W198 HydrophobicContact CB-CE3 3.55Å; M191-W198 HydrophobicContact CB-CG 3.82Å; M191-W198 HydrophobicContact CB-CZ2 4.44Å; M191-W198 HydrophobicContact CB-CZ3 4.09Å; M191-W198 HydrophobicContact CE-CD2 4.45Å; M191-W198 HydrophobicContact CE-CZ2 4.15Å; M191-W198 HydrophobicContact CG-CD2 4.18Å; M191-W198 HydrophobicContact CG-CE3 4.21Å; M191-W198 HydrophobicContact CG-CH2 4.32Å; M191-W198 HydrophobicContact CG-CZ2 4.25Å; M191-W198 HydrophobicContact CG-CZ3 4.28Å; V192-W198 HydrophobicContact CG2-CB 4.03Å; D195-W198 HydrophobicContact CB-CB 4.32Å; D195-W198 HydrophobicContact CB-CG 4.3Å; D195-W198 PolarHBondContact O-N 2.82Å; D195-W198 VanDerWaalsContact O-N 3.09Å; D195-W198 VanDerWaalsContact OD2-CD1 3.28Å; W198-S202 VanDerWaalsContact O-CB 3.27Å; W198-S202 WeakPolarHBondContact O-CB 3.2Å; W198-S202 PolarHBondContact O-N 2.85Å; W198-Y229 AromaticContact CH2-CD2 3.89Å; W198-Y229 HydrophobicContact CH2-CD2 3.89Å; W198-Y229 AromaticContact CH2-CE2 3.43Å; W198-Y229 HydrophobicContact CH2-CE2 3.43Å; W198-Y229 VanDerWaalsContact CH2-CE2 3.43Å; W198-Y229 AromaticContact CH2-CZ 3.8Å; W198-Y229 HydrophobicContact CZ2-CE2 4.29Å; W198-Y229 HydrophobicContact CZ3-CD2 4.27Å; W198-Y229 HydrophobicContact CZ3-CE2 4.08Å; W198-I232 HydrophobicContact CD2-CG2 4.19Å; W198-I232 HydrophobicContact CE3-CD1 4.18Å; W198-I232 HydrophobicContact CE3-CG2 3.88Å; W198-I232 HydrophobicContact CH2-CB 4.16Å; W198-I232 HydrophobicContact CH2-CD1 4.45Å; W198-I232 HydrophobicContact CH2-CG2 3.84Å; W198-I232 HydrophobicContact CZ2-CG2 4.17Å; W198-I232 HydrophobicContact CZ3-CB 4.13Å; W198-I232 HydrophobicContact CZ3-CD1 3.66Å; W198-I232 HydrophobicContact CZ3-CG1 4.49Å; W198-I232 HydrophobicContact CZ3-CG2 3.7Å; W198-I233 HydrophobicContact CH2-CD1 4.15Å; W198-I233 HydrophobicContact CZ2-CD1 3.76Å; W198-I236 HydrophobicContact CD2-CD1 4.45Å; W198-I236 HydrophobicContact CZ2-CD1 4.06Å
199	K	90.9	Very high	88.2	Confident	105 Å²	105	58.7 Å²	58.7	46%	0.457	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-55.8	173.5	-175.8	178.6	165.1	178.4	0	111.7	V192 D195 P196 L201 S202 E203	V192-K199 HydrophobicContact CG1-CB 4.41Å; D195-K199 PolarHBondContact O-N 3.46Å; D195-K199 VanDerWaalsContact O-N 3.11Å; P196-K199 PolarHBondContact O-N 3.25Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 2.99Å; K199-S202 WeakPolarHBondContact O-CA 3.29Å; K199-S202 WeakPolarHBondContact O-CB 3.42Å; K199-S202 PolarHBondContact O-N 3.38Å; K199-E203 WeakPolarHBondContact CE-OE1 3.2Å; K199-E203 IonicContact NZ-OE1 2.86Å; K199-E203 WeakPolarHBondContact O-CG 3.45Å; K199-E203 PolarHBondContact O-N 3Å
200	G	88.4	Confident	87.7	Confident	7 Å²	7	62.2 Å²	62.2	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-31.7	-178.3	0	0	0	0	0	114	P196 E203 R204	P196-G200 PolarHBondContact O-N 3Å; G200-E203 WeakPolarHBondContact CA-OE2 3.27Å; G200-R204 WeakPolarHBondContact O-CB 3.5Å; G200-R204 VanDerWaalsContact O-CG 3.23Å; G200-R204 WeakPolarHBondContact O-CG 3.23Å; G200-R204 PolarHBondContact O-N 2.79Å
201	L	90.2	Very high	87.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-44.2	170.2	-74.6	173.7	0	0	0	111.9	L197 K199 E203 R204 H205 W207 I232 I236 I239 F523 L540	L197-L201 HydrophobicContact CD1-CD1 4.19Å; L197-L201 HydrophobicContact CD1-CG 4.39Å; L197-L201 HydrophobicContact CG-CD1 4.31Å; L197-L201 WeakPolarHBondContact O-CB 3.4Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.21Å; L197-L201 PolarHBondContact O-N 2.98Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 2.99Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 3.48Å; L201-R204 PolarHBondContact O-N 3.43Å; L201-H205 WeakPolarHBondContact O-CB 3.18Å; L201-H205 PolarHBondContact O-CD2 2.98Å; L201-H205 PolarHBondContact O-N 3.5Å; L201-W207 HydrophobicContact CB-CE3 4.49Å; L201-W207 HydrophobicContact CB-CH2 4.02Å; L201-W207 HydrophobicContact CB-CZ3 3.61Å; L201-I232 HydrophobicContact CD1-CG2 4.16Å; L201-I236 HydrophobicContact CD1-CD1 4.11Å; L201-I236 HydrophobicContact CD1-CG1 3.58Å; L201-I239 HydrophobicContact CD1-CD1 4.46Å; L201-I239 HydrophobicContact CD2-CD1 3.86Å; L201-F523 HydrophobicContact CD2-CE1 3.65Å; L201-F523 HydrophobicContact CD2-CZ 4.35Å; L201-F523 HydrophobicContact CG-CE1 3.72Å; L201-F523 HydrophobicContact CG-CZ 4.02Å; L201-L540 HydrophobicContact CD2-CD1 3.95Å
202	S	90.6	Very high	86.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-35.2	177.8	179.3	0	0	0	0	112.8	W198 K199 Q206 W207 E208	W198-S202 VanDerWaalsContact O-CB 3.27Å; W198-S202 WeakPolarHBondContact O-CB 3.2Å; W198-S202 PolarHBondContact O-N 2.85Å; K199-S202 WeakPolarHBondContact O-CA 3.29Å; K199-S202 WeakPolarHBondContact O-CB 3.42Å; K199-S202 PolarHBondContact O-N 3.38Å; S202-Q206 CarbonylContact O-C 3.56Å; S202-Q206 VanDerWaalsContact O-CA 3.29Å; S202-Q206 WeakPolarHBondContact O-CA 3.46Å; S202-Q206 PolarHBondContact O-N 3.34Å; S202-Q206 VanDerWaalsContact O-N 3.14Å; S202-W207 PolarHBondContact O-N 3.28Å; S202-E208 PolarHBondContact O-N 2.91Å; S202-E208 PolarHBondContact OG-N 3.3Å; S202-E208 VanDerWaalsContact OG-N 3.16Å
203	E	87.9	Confident	85.6	Confident	76 Å²	76	63.6 Å²	63.6	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-71.7	-54.4	174.1	-69.6	164.6	150.6	0	0	110.8	K199 G200 L201 H205 Q206	K199-E203 WeakPolarHBondContact CE-OE1 3.2Å; K199-E203 IonicContact NZ-OE1 2.86Å; K199-E203 WeakPolarHBondContact O-CG 3.45Å; K199-E203 PolarHBondContact O-N 3Å; G200-E203 WeakPolarHBondContact CA-OE2 3.27Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 3.48Å; E203-H205 PolarHBondContact O-N 3.01Å; E203-Q206 WeakPolarHBondContact O-CA 3.08Å; E203-Q206 PolarHBondContact O-N 2.81Å
204	R	85.7	Confident	84.1	Confident	76 Å²	76	62.3 Å²	62.3	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-41.4	-176.2	-70.9	177.1	-175.9	-147.2	3.9	113.9	G200 L201 Q206 D521 L540	G200-R204 WeakPolarHBondContact O-CB 3.5Å; G200-R204 VanDerWaalsContact O-CG 3.23Å; G200-R204 WeakPolarHBondContact O-CG 3.23Å; G200-R204 PolarHBondContact O-N 2.79Å; L201-R204 PolarHBondContact O-N 3.43Å; R204-Q206 VanDerWaalsContact C-N 3.29Å; R204-D521 IonicContact NH2-OD1 2.65Å; R204-L540 HydrophobicContact CB-CD2 4.4Å
205	H	85.9	Confident	82.3	Confident	75 Å²	75	68.9 Å²	68.9	35%	0.347	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.2	174.1	-63.6	-84	0	0	0	113.2	L201 E203 W207	L201-H205 WeakPolarHBondContact O-CB 3.18Å; L201-H205 PolarHBondContact O-CD2 2.98Å; L201-H205 PolarHBondContact O-N 3.5Å; E203-H205 PolarHBondContact O-N 3.01Å; H205-W207 HydrophobicContact CB-CD2 3.91Å; H205-W207 HydrophobicContact CB-CG 4.27Å; H205-W207 HydrophobicContact CB-CH2 4.24Å; H205-W207 HydrophobicContact CB-CZ2 3.52Å; H205-W207 AromaticContact CD2-CH2 3.81Å; H205-W207 AromaticContact CD2-CZ2 3.75Å; H205-W207 AromaticContact CG-CE2 3.96Å; H205-W207 AromaticContact CG-CZ2 3.59Å; H205-W207 PolarHBondContact O-N 3.05Å
206	Q	83.6	Confident	80.3	Confident	104 Å²	104	70.2 Å²	70.2	49%	0.486	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	23.5	175.5	-50.7	-179	2.3	0	0	114.9	S202 E203 R204 E208 K209	S202-Q206 CarbonylContact O-C 3.56Å; S202-Q206 VanDerWaalsContact O-CA 3.29Å; S202-Q206 WeakPolarHBondContact O-CA 3.46Å; S202-Q206 PolarHBondContact O-N 3.34Å; S202-Q206 VanDerWaalsContact O-N 3.14Å; E203-Q206 WeakPolarHBondContact O-CA 3.08Å; E203-Q206 PolarHBondContact O-N 2.81Å; R204-Q206 VanDerWaalsContact C-N 3.29Å; Q206-E208 PolarHBondContact O-N 2.89Å; Q206-K209 HydrophobicContact CB-CD 4.06Å; Q206-K209 WeakPolarHBondContact O-CB 3.44Å; Q206-K209 WeakPolarHBondContact O-CG 3.28Å; Q206-K209 PolarHBondContact O-N 3.34Å
207	W	78.8	Confident	78.6	Confident	25 Å²	25	72.6 Å²	72.6	10%	0.095	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.9	-26.3	174.4	-54.7	-32.3	0	0	0	112.4	L201 S202 H205 K209 Y210 L211 L228 I232	L201-W207 HydrophobicContact CB-CE3 4.49Å; L201-W207 HydrophobicContact CB-CH2 4.02Å; L201-W207 HydrophobicContact CB-CZ3 3.61Å; S202-W207 PolarHBondContact O-N 3.28Å; H205-W207 HydrophobicContact CB-CD2 3.91Å; H205-W207 HydrophobicContact CB-CG 4.27Å; H205-W207 HydrophobicContact CB-CH2 4.24Å; H205-W207 HydrophobicContact CB-CZ2 3.52Å; H205-W207 AromaticContact CD2-CH2 3.81Å; H205-W207 AromaticContact CD2-CZ2 3.75Å; H205-W207 AromaticContact CG-CE2 3.96Å; H205-W207 AromaticContact CG-CZ2 3.59Å; H205-W207 PolarHBondContact O-N 3.05Å; W207-K209 PolarHBondContact O-N 2.83Å; W207-Y210 PolarHBondContact O-N 3.28Å; W207-L211 PolarHBondContact O-N 3.04Å; W207-L228 HydrophobicContact CD2-CD1 4.45Å; W207-L228 HydrophobicContact CD2-CD2 4.4Å; W207-L228 HydrophobicContact CG-CD2 4.26Å; W207-L228 HydrophobicContact CZ2-CD1 4.28Å; W207-I232 HydrophobicContact CE3-CD1 3.88Å; W207-I232 HydrophobicContact CE3-CG1 4.21Å; W207-I232 HydrophobicContact CH2-CB 4.32Å; W207-I232 HydrophobicContact CH2-CD1 4.25Å; W207-I232 HydrophobicContact CH2-CG1 3.65Å; W207-I232 HydrophobicContact CH2-CG2 4.22Å; W207-I232 HydrophobicContact CZ2-CG1 4.28Å; W207-I232 HydrophobicContact CZ3-CB 4.33Å; W207-I232 HydrophobicContact CZ3-CD1 3.67Å; W207-I232 HydrophobicContact CZ3-CG1 3.58Å; W207-I232 HydrophobicContact CZ3-CG2 3.96Å
208	E	74.6	Confident	77.3	Confident	91 Å²	91	80.2 Å²	80.2	43%	0.425	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-53.9	-28.2	176.7	-168.2	-179.1	-155.5	0	0	112.4	S202 Q206 Y210 L211	S202-E208 PolarHBondContact O-N 2.91Å; S202-E208 PolarHBondContact OG-N 3.3Å; S202-E208 VanDerWaalsContact OG-N 3.16Å; Q206-E208 PolarHBondContact O-N 2.89Å; E208-Y210 PolarHBondContact O-N 3.16Å; E208-L211 PolarHBondContact O-N 2.72Å; E208-L211 VanDerWaalsContact O-N 3.09Å
209	K	77.9	Confident	76.2	Confident	111 Å²	111	82.7 Å²	82.7	48%	0.483	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-53.6	-22.8	173.5	-69.4	177.3	172.5	176.1	0	113.9	Q206 W207 K213	Q206-K209 HydrophobicContact CB-CD 4.06Å; Q206-K209 WeakPolarHBondContact O-CB 3.44Å; Q206-K209 WeakPolarHBondContact O-CG 3.28Å; Q206-K209 PolarHBondContact O-N 3.34Å; W207-K209 PolarHBondContact O-N 2.83Å; K209-K213 WeakPolarHBondContact O-CD 3.46Å; K209-K213 VanDerWaalsContact O-CE 3.29Å; K209-K213 WeakPolarHBondContact O-CE 3.35Å; K209-K213 PolarHBondContact O-NZ 2.84Å
210	Y	80.8	Confident	75.7	Confident	87 Å²	87	78.7 Å²	78.7	34%	0.341	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-15.7	-179.7	-49.2	-70.9	0	0	0	113.6	K185 W207 E208 P220 Y225	K185-Y210 WeakPolarHBondContact CE-O 3.44Å; W207-Y210 PolarHBondContact O-N 3.28Å; E208-Y210 PolarHBondContact O-N 3.16Å; Y210-P220 HydrophobicContact CD1-CG 3.72Å; Y210-P220 HydrophobicContact CE1-CG 4.27Å; Y210-P220 HydrophobicContact CG-CG 3.99Å; Y210-Y225 PolarHBondContact O-OH 2.91Å; Y210-Y225 VanDerWaalsContact O-OH 3.07Å
211	L	80.4	Confident	75.6	Confident	4 Å²	4	82.3 Å²	82.3	2%	0.021	40%	0.398	C	S	.	.	S	Bend	trans	-86.3	159.2	178.7	-58.4	177.6	0	0	0	111.2	K185 I188 E189 V192 W207 E208 K213 Y225	K185-L211 HydrophobicContact CG-CD2 4.36Å; I188-L211 HydrophobicContact CG2-CD1 4.01Å; I188-L211 HydrophobicContact CG2-CD2 4.02Å; E189-L211 HydrophobicContact CG-CB 4.17Å; E189-L211 HydrophobicContact CG-CD2 3.97Å; V192-L211 HydrophobicContact CG2-CD1 4.06Å; W207-L211 PolarHBondContact O-N 3.04Å; E208-L211 PolarHBondContact O-N 2.72Å; E208-L211 VanDerWaalsContact O-N 3.09Å; L211-K213 PolarHBondContact O-N 3.3Å; L211-Y225 HydrophobicContact CD2-CD1 4.43Å; L211-Y225 HydrophobicContact CD2-CE1 3.84Å
212	F	79.6	Confident	75.4	Confident	70 Å²	70	83 Å²	83	31%	0.307	40%	0.401	S	S	.	.	S	Bend	trans	59.3	-10.8	175	-46.6	-60.1	0	0	0	117.2	E189 V192 R193	E189-F212 HydrophobicContact CB-CD1 4.21Å; E189-F212 HydrophobicContact CB-CE1 3.56Å; E189-F212 HydrophobicContact CB-CZ 4.26Å; E189-F212 VanDerWaalsContact CD-CD1 3.46Å; E189-F212 HydrophobicContact CG-CD1 3.71Å; E189-F212 HydrophobicContact CG-CE1 3.45Å; E189-F212 VanDerWaalsContact CG-CE1 3.45Å; E189-F212 HydrophobicContact CG-CZ 4.1Å; E189-F212 PolarHBondContact OE1-N 3.25Å; E189-F212 VanDerWaalsContact OE2-CD1 3.27Å; E189-F212 WeakPolarHBondContact OE2-CD1 3.31Å; V192-F212 HydrophobicContact CB-CZ 4.11Å; V192-F212 HydrophobicContact CG1-CE2 3.85Å; V192-F212 HydrophobicContact CG1-CZ 3.68Å; R193-F212 HydrophobicContact CG-CE1 4.11Å; R193-F212 HydrophobicContact CG-CZ 4.25Å
213	K	74.2	Confident	75.3	Confident	91 Å²	91	86.9 Å²	86.9	40%	0.396	43%	0.429	S	S	.	.			trans	-74.2	125.8	170.1	-66.7	176.1	-174.9	172.3	0	109.9	K185 K209 L211 T216	K185-K213 PolarHBondContact NZ-O 3.07Å; K209-K213 WeakPolarHBondContact O-CD 3.46Å; K209-K213 VanDerWaalsContact O-CE 3.29Å; K209-K213 WeakPolarHBondContact O-CE 3.35Å; K209-K213 PolarHBondContact O-NZ 2.84Å; L211-K213 PolarHBondContact O-N 3.3Å; K213-T216 HydrophobicContact CD-CG2 4.19Å
214	N	59.3	Low	75.4	Confident	146 Å²	146	86.8 Å²	86.8	78%	0.781	43%	0.425	S	S	*	.	S	Bend	trans	-91	-34.3	-178.8	-69.3	-24.3	0	0	0	113
215	R	53.6	Low	75.6	Confident	238 Å²	238	83.2 Å²	83.2	90%	0.898	41%	0.412	S	S	*	.	S	Bend	trans	-149	101	177.3	-69.5	-173.4	176.3	160.8	-0.6	111.1
216	T	48.9	Very low	75.9	Confident	72 Å²	72	83.4 Å²	83.4	44%	0.442	41%	0.413	S	S	.	.			trans	-143.5	150.9	166.7	44.5	0	0	0	0	109	K213 E218	K213-T216 HydrophobicContact CD-CG2 4.19Å; T216-E218 PolarHBondContact O-N 3.27Å
217	S	55	Low	76.3	Confident	134 Å²	134	80.8 Å²	80.8	94%	0.937	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.4	-169.8	-43.6	0	0	0	0	115.9
218	E	64.4	Low	76.9	Confident	163 Å²	163	80.1 Å²	80.1	76%	0.762	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	47.9	-173.9	-59.7	-176.8	159	0	0	111.8	T216 P220	T216-E218 PolarHBondContact O-N 3.27Å; E218-P220 WeakPolarHBondContact O-CD 3.37Å
219	I	69	Low	77.8	Confident	61 Å²	61	77.3 Å²	77.3	31%	0.313	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-81.3	120.5	168.6	-64.9	168.9	0	0	0	108.2	M182	M182-I219 HydrophobicContact CE-CG2 4.41Å
220	P	81.5	Confident	78.5	Confident	20 Å²	20	75.6 Å²	75.6	13%	0.13	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-59.8	151	176	-25.1	34.6	0	0	0	112.7	M182 Y210 E218 Y224 Y225	M182-P220 WeakPolarHBondContact CE-O 3.45Å; Y210-P220 HydrophobicContact CD1-CG 3.72Å; Y210-P220 HydrophobicContact CE1-CG 4.27Å; Y210-P220 HydrophobicContact CG-CG 3.99Å; E218-P220 WeakPolarHBondContact O-CD 3.37Å; P220-Y224 HydrophobicContact CB-CD1 3.53Å; P220-Y224 HydrophobicContact CB-CD2 4.42Å; P220-Y224 HydrophobicContact CB-CE1 4.31Å; P220-Y224 HydrophobicContact CB-CG 3.6Å; P220-Y224 HydrophobicContact CG-CD1 3.91Å; P220-Y224 HydrophobicContact CG-CE1 4.2Å; P220-Y224 HydrophobicContact CG-CG 4.29Å; P220-Y225 HydrophobicContact CB-CE2 4.16Å; P220-Y225 WeakPolarHBondContact O-CE2 3.38Å
221	P	85.8	Confident	79.1	Confident	83 Å²	83	76.8 Å²	76.8	54%	0.539	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-65.8	159.9	176	28.8	-36	0	0	0	111.9	S223 Y224	P221-S223 PolarHBondContact O-N 2.64Å; P221-Y224 VanDerWaalsContact O-CB 3.31Å; P221-Y224 WeakPolarHBondContact O-CB 3.37Å; P221-Y224 PolarHBondContact O-N 2.9Å
222	N	85.6	Confident	79.7	Confident	15 Å²	15	76.6 Å²	76.6	8%	0.08	40%	0.396	C	S	.	.	H	α-helix	trans	-53	-32.6	179.2	-167	57.9	0	0	0	113.4	S179 M182 W184 Y224 Y225 H226	S179-N222 WeakPolarHBondContact CA-ND2 3.36Å; M182-N222 WeakPolarHBondContact CA-OD1 3.22Å; M182-N222 HydrophobicContact CE-CB 4.44Å; M182-N222 HydrophobicContact SD-CB 3.7Å; W184-N222 PolarHBondContact N-OD1 3.12Å; N222-Y224 VanDerWaalsContact C-N 3.28Å; N222-Y224 PolarHBondContact O-N 2.8Å; N222-Y225 PolarHBondContact O-N 3.21Å; N222-Y225 VanDerWaalsContact O-N 3.15Å; N222-H226 PolarHBondContact O-N 3.15Å
223	S	88.4	Confident	80.4	Confident	83 Å²	83	75.7 Å²	75.7	58%	0.58	39%	0.394	S	S	*	.	H	α-helix	trans	-61.2	-30	175.3	53.3	0	0	0	0	113.9	P221 S227	P221-S223 PolarHBondContact O-N 2.64Å; S223-S227 VanDerWaalsContact O-CB 3.3Å; S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 3.18Å; S223-S227 PolarHBondContact O-OG 3.25Å
224	Y	90.3	Very high	81.3	Confident	73 Å²	73	77.4 Å²	77.4	29%	0.286	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-50.6	171.3	172.6	-97	0	0	0	110.4	P220 P221 N222 S227 L228	P220-Y224 HydrophobicContact CB-CD1 3.53Å; P220-Y224 HydrophobicContact CB-CD2 4.42Å; P220-Y224 HydrophobicContact CB-CE1 4.31Å; P220-Y224 HydrophobicContact CB-CG 3.6Å; P220-Y224 HydrophobicContact CG-CD1 3.91Å; P220-Y224 HydrophobicContact CG-CE1 4.2Å; P220-Y224 HydrophobicContact CG-CG 4.29Å; P221-Y224 VanDerWaalsContact O-CB 3.31Å; P221-Y224 WeakPolarHBondContact O-CB 3.37Å; P221-Y224 PolarHBondContact O-N 2.9Å; N222-Y224 VanDerWaalsContact C-N 3.28Å; N222-Y224 PolarHBondContact O-N 2.8Å; Y224-S227 CarbonylContact O-C 3.57Å; Y224-S227 WeakPolarHBondContact O-CA 3.46Å; Y224-S227 PolarHBondContact O-N 3.45Å; Y224-S227 PolarHBondContact O-OG 2.9Å; Y224-L228 HydrophobicContact CE1-CD2 3.9Å; Y224-L228 WeakPolarHBondContact O-CB 3.37Å; Y224-L228 PolarHBondContact O-N 2.93Å
225	Y	90.3	Very high	82.8	Confident	2 Å²	2	73 Å²	73	1%	0.008	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-41	-179.5	-61.7	-79.1	0	0	0	112.5	M182 K185 I188 Y210 L211 P220 N222 S227 L228 Y229	M182-Y225 HydrophobicContact CE-CD2 3.83Å; M182-Y225 HydrophobicContact CE-CE2 3.58Å; K185-Y225 HydrophobicContact CB-CD1 4.11Å; K185-Y225 HydrophobicContact CB-CD2 3.93Å; K185-Y225 HydrophobicContact CB-CE1 4.18Å; K185-Y225 HydrophobicContact CB-CE2 4Å; K185-Y225 HydrophobicContact CB-CG 3.97Å; K185-Y225 HydrophobicContact CD-CE1 4.37Å; K185-Y225 HydrophobicContact CD-CE2 3.95Å; K185-Y225 HydrophobicContact CG-CD1 4.32Å; K185-Y225 HydrophobicContact CG-CE1 3.91Å; K185-Y225 HydrophobicContact CG-CE2 4.13Å; I188-Y225 HydrophobicContact CD1-CD1 4.15Å; Y210-Y225 PolarHBondContact O-OH 2.91Å; Y210-Y225 VanDerWaalsContact O-OH 3.07Å; L211-Y225 HydrophobicContact CD2-CD1 4.43Å; L211-Y225 HydrophobicContact CD2-CE1 3.84Å; P220-Y225 HydrophobicContact CB-CE2 4.16Å; P220-Y225 WeakPolarHBondContact O-CE2 3.38Å; N222-Y225 PolarHBondContact O-N 3.21Å; N222-Y225 VanDerWaalsContact O-N 3.15Å; Y225-S227 VanDerWaalsContact C-N 3.3Å; Y225-S227 PolarHBondContact O-N 3.1Å; Y225-L228 PolarHBondContact O-N 3.21Å; Y225-L228 VanDerWaalsContact O-N 3.17Å; Y225-Y229 PolarHBondContact O-N 3.4Å
226	H	91.4	Very high	84.7	Confident	79 Å²	79	62.9 Å²	62.9	37%	0.366	34%	0.343	S	S	.	.	H	α-helix	trans	-59.2	-40.1	169.8	-179.6	-38.6	0	0	0	111.4	E168 W184 N222 L228 P230	E168-H226 IonicContact OE1-CD2 2.73Å; E168-H226 IonicContact OE2-CD2 3.41Å; E168-H226 IonicContact OE2-NE2 3.59Å; W184-H226 HydrophobicContact CD2-CB 4.27Å; W184-H226 AromaticContact CE2-CD2 3.98Å; W184-H226 HydrophobicContact CG-CB 3.95Å; W184-H226 AromaticContact NE1-CD2 3.5Å; W184-H226 PolarHBondContact NE1-CD2 3.11Å; W184-H226 AromaticContact NE1-CG 3.89Å; N222-H226 PolarHBondContact O-N 3.15Å; H226-L228 VanDerWaalsContact C-N 3.31Å; H226-P230 WeakPolarHBondContact O-CD 3.34Å
227	S	91.9	Very high	86.8	Confident	48 Å²	48	65.8 Å²	65.8	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-75.3	-19.2	177.3	83.1	0	0	0	0	114	S223 Y224 Y225 K231	S223-S227 VanDerWaalsContact O-CB 3.3Å; S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 3.18Å; S223-S227 PolarHBondContact O-OG 3.25Å; Y224-S227 CarbonylContact O-C 3.57Å; Y224-S227 WeakPolarHBondContact O-CA 3.46Å; Y224-S227 PolarHBondContact O-N 3.45Å; Y224-S227 PolarHBondContact O-OG 2.9Å; Y225-S227 VanDerWaalsContact C-N 3.3Å; Y225-S227 PolarHBondContact O-N 3.1Å; S227-K231 WeakPolarHBondContact O-CD 3.45Å; S227-K231 VanDerWaalsContact O-CE 3.25Å; S227-K231 WeakPolarHBondContact O-CE 3.29Å
228	L	91.9	Very high	88.6	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-85.8	-45.4	-179.3	179.3	62.8	0	0	0	110.8	I188 W207 Y224 Y225 H226 K231 I232	I188-L228 HydrophobicContact CD1-CD2 4.4Å; W207-L228 HydrophobicContact CD2-CD1 4.45Å; W207-L228 HydrophobicContact CD2-CD2 4.4Å; W207-L228 HydrophobicContact CG-CD2 4.26Å; W207-L228 HydrophobicContact CZ2-CD1 4.28Å; Y224-L228 HydrophobicContact CE1-CD2 3.9Å; Y224-L228 WeakPolarHBondContact O-CB 3.37Å; Y224-L228 PolarHBondContact O-N 2.93Å; Y225-L228 PolarHBondContact O-N 3.21Å; Y225-L228 VanDerWaalsContact O-N 3.17Å; H226-L228 VanDerWaalsContact C-N 3.31Å; L228-K231 WeakPolarHBondContact O-CA 3.38Å; L228-K231 VanDerWaalsContact O-CB 3.3Å; L228-K231 WeakPolarHBondContact O-CB 3.32Å; L228-K231 PolarHBondContact O-N 2.86Å; L228-I232 HydrophobicContact CD1-CG1 4.22Å; L228-I232 HydrophobicContact CD2-CD1 4.26Å; L228-I232 HydrophobicContact CG-CD1 3.92Å; L228-I232 HydrophobicContact CG-CG1 4.04Å; L228-I232 PolarHBondContact O-N 2.81Å; L228-I232 VanDerWaalsContact O-N 3.08Å
229	Y	93.3	Very high	90	Very high	33 Å²	33	54.6 Å²	54.6	13%	0.129	29%	0.289	C	S	.	.	H	α-helix	trans	-45.5	-52.2	-178.3	-168.5	-80.5	0	0	0	114.6	A161 W184 L187 I188 W198 Y225 K231 I232 I233	A161-Y229 HydrophobicContact CB-CD1 4.25Å; A161-Y229 HydrophobicContact CB-CE1 3.44Å; A161-Y229 VanDerWaalsContact CB-CE1 3.44Å; A161-Y229 HydrophobicContact CB-CE2 4.18Å; A161-Y229 VanDerWaalsContact CB-CZ 3.42Å; A161-Y229 WeakPolarHBondContact CB-OH 3.47Å; W184-Y229 HydrophobicContact CE3-CD2 4.03Å; W184-Y229 AromaticContact CE3-CG 3.96Å; W184-Y229 HydrophobicContact CE3-CG 3.96Å; W184-Y229 AromaticContact CZ3-CD1 3.93Å; W184-Y229 HydrophobicContact CZ3-CD1 3.93Å; W184-Y229 AromaticContact CZ3-CD2 3.9Å; W184-Y229 HydrophobicContact CZ3-CD2 3.9Å; W184-Y229 HydrophobicContact CZ3-CE1 4.49Å; W184-Y229 HydrophobicContact CZ3-CE2 4.44Å; W184-Y229 AromaticContact CZ3-CG 3.63Å; W184-Y229 HydrophobicContact CZ3-CG 3.63Å; L187-Y229 HydrophobicContact CD2-CD2 4.15Å; L187-Y229 HydrophobicContact CD2-CE2 3.78Å; L187-Y229 HydrophobicContact CG-CD2 4.45Å; L187-Y229 HydrophobicContact CG-CE2 3.99Å; I188-Y229 HydrophobicContact CD1-CD2 4.47Å; I188-Y229 HydrophobicContact CG1-CD2 3.92Å; W198-Y229 AromaticContact CH2-CD2 3.89Å; W198-Y229 HydrophobicContact CH2-CD2 3.89Å; W198-Y229 AromaticContact CH2-CE2 3.43Å; W198-Y229 HydrophobicContact CH2-CE2 3.43Å; W198-Y229 VanDerWaalsContact CH2-CE2 3.43Å; W198-Y229 AromaticContact CH2-CZ 3.8Å; W198-Y229 HydrophobicContact CZ2-CE2 4.29Å; W198-Y229 HydrophobicContact CZ3-CD2 4.27Å; W198-Y229 HydrophobicContact CZ3-CE2 4.08Å; Y225-Y229 PolarHBondContact O-N 3.4Å; Y229-K231 VanDerWaalsContact C-N 3.26Å; Y229-K231 PolarHBondContact O-N 3.22Å; Y229-I232 PolarHBondContact O-N 3.33Å; Y229-I233 HydrophobicContact CD1-CG1 4Å; Y229-I233 HydrophobicContact CE1-CD1 3.86Å; Y229-I233 HydrophobicContact CE1-CG1 3.57Å; Y229-I233 WeakPolarHBondContact O-CG1 3.3Å; Y229-I233 PolarHBondContact O-N 3.29Å; Y229-I233 VanDerWaalsContact O-N 3.12Å
230	P	93.9	Very high	91.1	Very high	75 Å²	75	52.9 Å²	52.9	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-66.5	-24.6	179.4	27	-35.4	0	0	0	113.6	H226 Q234	H226-P230 WeakPolarHBondContact O-CD 3.34Å; P230-Q234 WeakPolarHBondContact O-CB 3.32Å; P230-Q234 PolarHBondContact O-N 3.08Å
231	K	92.2	Very high	91.7	Very high	112 Å²	112	53.6 Å²	53.6	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-70.8	-44.5	173.3	-58.6	172.6	-175.2	166.2	0	110.5	S227 L228 Y229 I233 Q234 D235	S227-K231 WeakPolarHBondContact O-CD 3.45Å; S227-K231 VanDerWaalsContact O-CE 3.25Å; S227-K231 WeakPolarHBondContact O-CE 3.29Å; L228-K231 WeakPolarHBondContact O-CA 3.38Å; L228-K231 VanDerWaalsContact O-CB 3.3Å; L228-K231 WeakPolarHBondContact O-CB 3.32Å; L228-K231 PolarHBondContact O-N 2.86Å; Y229-K231 VanDerWaalsContact C-N 3.26Å; Y229-K231 PolarHBondContact O-N 3.22Å; K231-I233 VanDerWaalsContact C-N 3.27Å; K231-I233 PolarHBondContact O-N 2.85Å; K231-Q234 CarbonylContact O-C 3.48Å; K231-Q234 WeakPolarHBondContact O-CA 3.25Å; K231-Q234 WeakPolarHBondContact O-CB 3.39Å; K231-Q234 PolarHBondContact O-N 3.42Å; K231-D235 VanDerWaalsContact O-CG 3.27Å; K231-D235 PolarHBondContact O-N 3.36Å
232	I	93.1	Very high	92.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-43.4	174.6	-51.9	-179.7	0	0	0	110.4	I188 W198 L201 W207 L228 Y229 D235 I236	I188-I232 HydrophobicContact CD1-CD1 4.32Å; I188-I232 HydrophobicContact CG2-CD1 4.32Å; W198-I232 HydrophobicContact CD2-CG2 4.19Å; W198-I232 HydrophobicContact CE3-CD1 4.18Å; W198-I232 HydrophobicContact CE3-CG2 3.88Å; W198-I232 HydrophobicContact CH2-CB 4.16Å; W198-I232 HydrophobicContact CH2-CD1 4.45Å; W198-I232 HydrophobicContact CH2-CG2 3.84Å; W198-I232 HydrophobicContact CZ2-CG2 4.17Å; W198-I232 HydrophobicContact CZ3-CB 4.13Å; W198-I232 HydrophobicContact CZ3-CD1 3.66Å; W198-I232 HydrophobicContact CZ3-CG1 4.49Å; W198-I232 HydrophobicContact CZ3-CG2 3.7Å; L201-I232 HydrophobicContact CD1-CG2 4.16Å; W207-I232 HydrophobicContact CE3-CD1 3.88Å; W207-I232 HydrophobicContact CE3-CG1 4.21Å; W207-I232 HydrophobicContact CH2-CB 4.32Å; W207-I232 HydrophobicContact CH2-CD1 4.25Å; W207-I232 HydrophobicContact CH2-CG1 3.65Å; W207-I232 HydrophobicContact CH2-CG2 4.22Å; W207-I232 HydrophobicContact CZ2-CG1 4.28Å; W207-I232 HydrophobicContact CZ3-CB 4.33Å; W207-I232 HydrophobicContact CZ3-CD1 3.67Å; W207-I232 HydrophobicContact CZ3-CG1 3.58Å; W207-I232 HydrophobicContact CZ3-CG2 3.96Å; L228-I232 HydrophobicContact CD1-CG1 4.22Å; L228-I232 HydrophobicContact CD2-CD1 4.26Å; L228-I232 HydrophobicContact CG-CD1 3.92Å; L228-I232 HydrophobicContact CG-CG1 4.04Å; L228-I232 PolarHBondContact O-N 2.81Å; L228-I232 VanDerWaalsContact O-N 3.08Å; Y229-I232 PolarHBondContact O-N 3.33Å; I232-D235 PolarHBondContact O-N 3.05Å; I232-I236 HydrophobicContact CG2-CD1 3.92Å; I232-I236 HydrophobicContact CG2-CG1 4.44Å; I232-I236 WeakPolarHBondContact O-CB 3.23Å; I232-I236 VanDerWaalsContact O-CG1 3.23Å; I232-I236 WeakPolarHBondContact O-CG1 3.5Å; I232-I236 PolarHBondContact O-N 3.11Å
233	I	93.9	Very high	92.5	Very high	51 Å²	51	49.1 Å²	49.1	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175	-59.9	-57.6	0	0	0	111.5	W198 Y229 K231 D235 I236 E237	W198-I233 HydrophobicContact CH2-CD1 4.15Å; W198-I233 HydrophobicContact CZ2-CD1 3.76Å; Y229-I233 HydrophobicContact CD1-CG1 4Å; Y229-I233 HydrophobicContact CE1-CD1 3.86Å; Y229-I233 HydrophobicContact CE1-CG1 3.57Å; Y229-I233 WeakPolarHBondContact O-CG1 3.3Å; Y229-I233 PolarHBondContact O-N 3.29Å; Y229-I233 VanDerWaalsContact O-N 3.12Å; K231-I233 VanDerWaalsContact C-N 3.27Å; K231-I233 PolarHBondContact O-N 2.85Å; I233-D235 VanDerWaalsContact C-N 3.35Å; I233-D235 PolarHBondContact O-N 3Å; I233-I236 PolarHBondContact O-N 2.93Å; I233-E237 HydrophobicContact CG2-CG 4.45Å; I233-E237 WeakPolarHBondContact O-CG 3.44Å; I233-E237 PolarHBondContact O-N 3.23Å
234	Q	93.1	Very high	92.7	Very high	126 Å²	126	51.7 Å²	51.7	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-63.6	-37.3	177.5	-175	175.6	-1.3	0	0	112.7	P230 K231 T238	P230-Q234 WeakPolarHBondContact O-CB 3.32Å; P230-Q234 PolarHBondContact O-N 3.08Å; K231-Q234 CarbonylContact O-C 3.48Å; K231-Q234 WeakPolarHBondContact O-CA 3.25Å; K231-Q234 WeakPolarHBondContact O-CB 3.39Å; K231-Q234 PolarHBondContact O-N 3.42Å; Q234-T238 VanDerWaalsContact O-CB 3.3Å; Q234-T238 WeakPolarHBondContact O-CB 3.41Å; Q234-T238 PolarHBondContact O-N 2.92Å; Q234-T238 PolarHBondContact O-OG1 3.11Å
235	D	91.6	Very high	92.7	Very high	53 Å²	53	51.2 Å²	51.2	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-45.2	175.3	-65.5	-34.6	0	0	0	110.4	K231 I232 I233 T238 I239	K231-D235 VanDerWaalsContact O-CG 3.27Å; K231-D235 PolarHBondContact O-N 3.36Å; I232-D235 PolarHBondContact O-N 3.05Å; I233-D235 VanDerWaalsContact C-N 3.35Å; I233-D235 PolarHBondContact O-N 3Å; D235-T238 WeakPolarHBondContact O-CB 3.3Å; D235-T238 PolarHBondContact O-N 2.84Å; D235-T238 VanDerWaalsContact O-N 3.17Å; D235-I239 WeakPolarHBondContact O-CD1 3.36Å; D235-I239 VanDerWaalsContact O-CG1 3.23Å; D235-I239 WeakPolarHBondContact O-CG1 3.41Å; D235-I239 PolarHBondContact O-N 3.05Å
236	I	93	Very high	92.8	Very high	26 Å²	26	51.8 Å²	51.8	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-47.4	174.2	-71.6	172.6	0	0	0	111.8	L197 W198 L201 I232 I233 T238 I239 E240	L197-I236 HydrophobicContact CD2-CB 4.37Å; L197-I236 HydrophobicContact CD2-CD1 4.01Å; L197-I236 HydrophobicContact CD2-CG1 3.79Å; L197-I236 HydrophobicContact CD2-CG2 3.82Å; L197-I236 HydrophobicContact CG-CD1 4.3Å; L197-I236 HydrophobicContact CG-CG1 4.12Å; W198-I236 HydrophobicContact CD2-CD1 4.45Å; W198-I236 HydrophobicContact CZ2-CD1 4.06Å; L201-I236 HydrophobicContact CD1-CD1 4.11Å; L201-I236 HydrophobicContact CD1-CG1 3.58Å; I232-I236 HydrophobicContact CG2-CD1 3.92Å; I232-I236 HydrophobicContact CG2-CG1 4.44Å; I232-I236 WeakPolarHBondContact O-CB 3.23Å; I232-I236 VanDerWaalsContact O-CG1 3.23Å; I232-I236 WeakPolarHBondContact O-CG1 3.5Å; I232-I236 PolarHBondContact O-N 3.11Å; I233-I236 PolarHBondContact O-N 2.93Å; I236-T238 VanDerWaalsContact C-N 3.27Å; I236-T238 PolarHBondContact O-N 2.77Å; I236-I239 PolarHBondContact O-N 2.99Å; I236-E240 PolarHBondContact O-N 2.82Å
237	E	93.6	Very high	92.8	Very high	133 Å²	133	53 Å²	53	62%	0.621	27%	0.27	S	S	*	.	H	α-helix	trans	-62	-36.9	175.8	-74.5	-178.5	179.1	0	0	111.6	I233 A241	I233-E237 HydrophobicContact CG2-CG 4.45Å; I233-E237 WeakPolarHBondContact O-CG 3.44Å; I233-E237 PolarHBondContact O-N 3.23Å; E237-A241 VanDerWaalsContact O-CB 3.25Å; E237-A241 WeakPolarHBondContact O-CB 3.35Å; E237-A241 PolarHBondContact O-N 3.11Å
238	T	93.1	Very high	92.9	Very high	59 Å²	59	53 Å²	53	36%	0.362	27%	0.265	S	S	.	.	H	α-helix	trans	-67.9	-40.9	176.8	-60.4	0	0	0	0	111.9	Q234 D235 I236 A241 N242	Q234-T238 VanDerWaalsContact O-CB 3.3Å; Q234-T238 WeakPolarHBondContact O-CB 3.41Å; Q234-T238 PolarHBondContact O-N 2.92Å; Q234-T238 PolarHBondContact O-OG1 3.11Å; D235-T238 WeakPolarHBondContact O-CB 3.3Å; D235-T238 PolarHBondContact O-N 2.84Å; D235-T238 VanDerWaalsContact O-N 3.17Å; I236-T238 VanDerWaalsContact C-N 3.27Å; I236-T238 PolarHBondContact O-N 2.77Å; T238-A241 PolarHBondContact O-N 2.75Å; T238-N242 WeakPolarHBondContact O-CB 3.31Å; T238-N242 PolarHBondContact O-N 3.23Å; T238-N242 PolarHBondContact O-ND2 2.98Å; T238-N242 PolarHBondContact O-OD1 2.89Å
239	I	92.4	Very high	93	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-49.3	176.1	-67.9	156.3	0	0	0	110.6	L201 D235 I236 A241 N242 W243 F523 L540	L201-I239 HydrophobicContact CD1-CD1 4.46Å; L201-I239 HydrophobicContact CD2-CD1 3.86Å; D235-I239 WeakPolarHBondContact O-CD1 3.36Å; D235-I239 VanDerWaalsContact O-CG1 3.23Å; D235-I239 WeakPolarHBondContact O-CG1 3.41Å; D235-I239 PolarHBondContact O-N 3.05Å; I236-I239 PolarHBondContact O-N 2.99Å; I239-A241 VanDerWaalsContact C-N 3.28Å; I239-A241 PolarHBondContact O-N 2.7Å; I239-N242 WeakPolarHBondContact O-CA 3.35Å; I239-N242 WeakPolarHBondContact O-CB 3.17Å; I239-N242 PolarHBondContact O-N 2.9Å; I239-W243 VanDerWaalsContact O-CD1 3.29Å; I239-W243 PolarHBondContact O-N 2.71Å; I239-F523 HydrophobicContact CD1-CD1 4.27Å; I239-F523 HydrophobicContact CD1-CE1 4.21Å; I239-L540 HydrophobicContact CD1-CD1 3.56Å; I239-L540 HydrophobicContact CG1-CD1 3.88Å
240	E	93.1	Very high	93	Very high	26 Å²	26	55.1 Å²	55.1	12%	0.121	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-29.5	177.8	-64.7	-68	-176.4	0	0	112.2	I236 R244 K474 R475	I236-E240 PolarHBondContact O-N 2.82Å; E240-R244 VanDerWaalsContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CB 3.33Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 3.17Å; E240-K474 WeakPolarHBondContact OE1-CD 3.39Å; E240-K474 WeakPolarHBondContact OE1-CE 3.41Å; E240-K474 IonicContact OE1-NZ 3.57Å; E240-K474 PolarHBondContact OE1-NZ 2.84Å; E240-R475 VanDerWaalsContact CD-NH1 3.32Å; E240-R475 IonicContact OE1-NH1 2.89Å; E240-R475 PolarHBondContact OE1-NH1 2.89Å; E240-R475 VanDerWaalsContact OE1-NH1 3.11Å; E240-R475 IonicContact OE2-NH1 2.74Å; E240-R475 PolarHBondContact OE2-NH1 2.93Å
241	A	92.9	Very high	93.1	Very high	34 Å²	34	55.8 Å²	55.8	28%	0.281	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-36.5	168.4	0	0	0	0	0	112.3	E237 T238 I239 C245	E237-A241 VanDerWaalsContact O-CB 3.25Å; E237-A241 WeakPolarHBondContact O-CB 3.35Å; E237-A241 PolarHBondContact O-N 3.11Å; T238-A241 PolarHBondContact O-N 2.75Å; I239-A241 VanDerWaalsContact C-N 3.28Å; I239-A241 PolarHBondContact O-N 2.7Å; A241-C245 WeakPolarHBondContact O-CB 3.47Å; A241-C245 PolarHBondContact O-N 2.94Å; A241-C245 PolarHBondContact O-SG 2.95Å; A241-C245 VanDerWaalsContact O-SG 3.36Å
242	N	94.6	Very high	93.2	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-49.1	175.2	-72	-16.9	0	0	0	111	T238 I239 C245 G246 R247 F539 V542	T238-N242 WeakPolarHBondContact O-CB 3.31Å; T238-N242 PolarHBondContact O-N 3.23Å; T238-N242 PolarHBondContact O-ND2 2.98Å; T238-N242 PolarHBondContact O-OD1 2.89Å; I239-N242 WeakPolarHBondContact O-CA 3.35Å; I239-N242 WeakPolarHBondContact O-CB 3.17Å; I239-N242 PolarHBondContact O-N 2.9Å; N242-C245 PolarHBondContact O-N 3.06Å; N242-G246 CarbonylContact O-C 3.57Å; N242-G246 WeakPolarHBondContact O-CA 3.49Å; N242-G246 PolarHBondContact O-N 3.15Å; N242-R247 HydrophobicContact CB-CB 4.36Å; N242-R247 WeakPolarHBondContact CB-O 3.2Å; N242-R247 PolarHBondContact O-N 3.45Å; N242-R247 PolarHBondContact OD1-NE 3.35Å; N242-R247 PolarHBondContact OD1-NH2 2.74Å; N242-F539 HydrophobicContact CB-CB 4.23Å; N242-F539 HydrophobicContact CB-CD1 4.48Å; N242-F539 WeakPolarHBondContact CB-O 3.46Å; N242-F539 PolarHBondContact ND2-O 3.3Å; N242-V542 HydrophobicContact CB-CG2 4.3Å; N242-V542 VanDerWaalsContact ND2-CG2 3.33Å; N242-V542 WeakPolarHBondContact ND2-CG2 3.23Å
243	W	94.1	Very high	93.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-56	-51	172	-81.3	101.2	0	0	0	112.3	I239 C245 G246 V477 V487 F520 D521 E522 I525 F539	I239-W243 VanDerWaalsContact O-CD1 3.29Å; I239-W243 PolarHBondContact O-N 2.71Å; W243-C245 VanDerWaalsContact C-N 3.3Å; W243-C245 PolarHBondContact O-N 2.73Å; W243-G246 PolarHBondContact O-N 3.23Å; W243-V477 HydrophobicContact CZ3-CG2 4.2Å; W243-V487 HydrophobicContact CE3-CG1 4.07Å; W243-V487 HydrophobicContact CE3-CG2 4.36Å; W243-V487 HydrophobicContact CZ3-CG1 4.2Å; W243-V487 HydrophobicContact CZ3-CG2 4.16Å; W243-F520 AromaticContact CH2-CD2 3.7Å; W243-F520 HydrophobicContact CH2-CD2 3.7Å; W243-F520 HydrophobicContact CH2-CE2 4.37Å; W243-F520 HydrophobicContact CH2-CG 4.48Å; W243-F520 HydrophobicContact CZ2-CD2 4.34Å; W243-D521 WeakPolarHBondContact CZ2-O 3.43Å; W243-E522 PolarHBondContact NE1-O 2.95Å; W243-I525 HydrophobicContact CH2-CD1 4.06Å; W243-I525 HydrophobicContact CH2-CG1 3.62Å; W243-I525 HydrophobicContact CZ3-CD1 3.85Å; W243-I525 HydrophobicContact CZ3-CG1 3.96Å; W243-F539 HydrophobicContact CD2-CD1 4.16Å; W243-F539 AromaticContact CD2-CD2 3.99Å; W243-F539 HydrophobicContact CD2-CD2 3.99Å; W243-F539 HydrophobicContact CD2-CE1 4.38Å; W243-F539 HydrophobicContact CD2-CE2 4.24Å; W243-F539 AromaticContact CD2-CG 3.97Å; W243-F539 HydrophobicContact CD2-CG 3.97Å; W243-F539 HydrophobicContact CD2-CZ 4.43Å; W243-F539 AromaticContact CE2-CD2 3.67Å; W243-F539 AromaticContact CE2-CG 3.89Å; W243-F539 HydrophobicContact CE3-CD2 4.32Å; W243-F539 HydrophobicContact CE3-CE1 4.31Å; W243-F539 HydrophobicContact CE3-CE2 4.09Å; W243-F539 HydrophobicContact CE3-CZ 4.09Å; W243-F539 HydrophobicContact CG-CB 4.4Å; W243-F539 HydrophobicContact CG-CD1 4.17Å; W243-F539 HydrophobicContact CG-CG 4.15Å; W243-F539 HydrophobicContact CH2-CD2 4.1Å; W243-F539 AromaticContact CH2-CE2 3.9Å; W243-F539 HydrophobicContact CH2-CE2 3.9Å; W243-F539 AromaticContact CZ2-CD2 3.73Å; W243-F539 HydrophobicContact CZ2-CD2 3.73Å; W243-F539 HydrophobicContact CZ2-CE2 4.02Å; W243-F539 HydrophobicContact CZ2-CG 4.41Å; W243-F539 HydrophobicContact CZ3-CD2 4.39Å; W243-F539 AromaticContact CZ3-CE2 3.94Å; W243-F539 HydrophobicContact CZ3-CE2 3.94Å; W243-F539 HydrophobicContact CZ3-CZ 4.2Å; W243-F539 AromaticContact NE1-CG 3.99Å
244	R	92.4	Very high	93.3	Very high	136 Å²	136	59.3 Å²	59.3	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-25.3	-179.5	-73.6	174.6	-178.5	128.9	0	114.3	E240 R506	E240-R244 VanDerWaalsContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CB 3.33Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 3.17Å; R244-R506 VanDerWaalsContact O-CZ 3.29Å; R244-R506 PolarHBondContact O-NE 3.19Å; R244-R506 PolarHBondContact O-NH2 3.43Å
245	C	91.4	Very high	93.1	Very high	63 Å²	63	53.4 Å²	53.4	43%	0.426	26%	0.259	S	S	.	.	H	α-helix	trans	-94.4	-17.8	176.2	-71.5	0	0	0	0	113.5	A241 N242 W243 R247 R506	A241-C245 WeakPolarHBondContact O-CB 3.47Å; A241-C245 PolarHBondContact O-N 2.94Å; A241-C245 PolarHBondContact O-SG 2.95Å; A241-C245 VanDerWaalsContact O-SG 3.36Å; N242-C245 PolarHBondContact O-N 3.06Å; W243-C245 VanDerWaalsContact C-N 3.3Å; W243-C245 PolarHBondContact O-N 2.73Å; C245-R247 HydrophobicContact CB-CG 3.98Å; C245-R506 PolarHBondContact O-NE 3.07Å; C245-R506 PolarHBondContact O-NH1 2.9Å
246	G	91.1	Very high	93	Very high	15 Å²	15	60.7 Å²	60.7	16%	0.155	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	21.2	-170.8	0	0	0	0	0	113.6	N242 W243 H248	N242-G246 CarbonylContact O-C 3.57Å; N242-G246 WeakPolarHBondContact O-CA 3.49Å; N242-G246 PolarHBondContact O-N 3.15Å; W243-G246 PolarHBondContact O-N 3.23Å; G246-H248 PolarHBondContact O-ND1 2.94Å
247	R	92.6	Very high	92.5	Very high	105 Å²	105	59.8 Å²	59.8	40%	0.396	28%	0.278	S	S	.	.			trans	-78.4	122.4	175	-60	-169.6	-60.4	-150.1	0.5	109	N242 C245 F539 V542	N242-R247 HydrophobicContact CB-CB 4.36Å; N242-R247 WeakPolarHBondContact CB-O 3.2Å; N242-R247 PolarHBondContact O-N 3.45Å; N242-R247 PolarHBondContact OD1-NE 3.35Å; N242-R247 PolarHBondContact OD1-NH2 2.74Å; C245-R247 HydrophobicContact CB-CG 3.98Å; R247-F539 VanDerWaalsContact O-CD1 3.26Å; R247-F539 WeakPolarHBondContact O-CD1 3.18Å; R247-V542 HydrophobicContact CB-CG1 3.95Å; R247-V542 HydrophobicContact CB-CG2 4.39Å
248	H	93.5	Very high	91.4	Very high	46 Å²	46	61.6 Å²	61.6	21%	0.213	29%	0.287	C	S	.	.			trans	-151.7	154.6	-176.9	61.3	-78.2	0	0	0	110	G246 W537 D538 F539	G246-H248 PolarHBondContact O-ND1 2.94Å; H248-W537 AromaticContact CD2-CE3 3.56Å; H248-W537 AromaticContact CE1-CE3 3.89Å; H248-W537 AromaticContact CE1-CZ3 3.92Å; H248-W537 AromaticContact NE2-CE3 3.38Å; H248-W537 AromaticContact NE2-CZ3 3.59Å; H248-D538 CarbonylContact C-O 3.57Å; H248-D538 WeakPolarHBondContact CA-O 3.26Å; H248-F539 HydrophobicContact CB-CD1 4.04Å; H248-F539 HydrophobicContact CB-CE1 3.92Å; H248-F539 HydrophobicContact CB-CG 4.48Å; H248-F539 HydrophobicContact CB-CZ 4.25Å
249	N	94.1	Very high	90.6	Very high	46 Å²	46	66 Å²	66	25%	0.246	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.3	156.2	-64.7	-19.6	0	0	0	108.6	W537 D538 N541 S543	N249-W537 WeakPolarHBondContact O-CA 3.18Å; N249-D538 HydrophobicContact CB-CB 4.42Å; N249-D538 PolarHBondContact N-O 3.28Å; N249-D538 PolarHBondContact O-N 2.91Å; N249-N541 PolarHBondContact ND2-O 3.31Å; N249-S543 PolarHBondContact OD1-N 3.34Å; N249-S543 VanDerWaalsContact OD1-N 3.11Å
250	L	94.3	Very high	90.2	Very high	43 Å²	43	67.3 Å²	67.3	23%	0.225	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.2	-178	-173	66.5	0	0	0	111.2	R252 E510 L535 I536 W537	L250-R252 VanDerWaalsContact CD2-CZ 3.46Å; L250-R252 VanDerWaalsContact CD2-NH2 3.3Å; L250-R252 HydrophobicContact CG-CG 4.47Å; L250-E510 HydrophobicContact CD2-CB 4.02Å; L250-E510 HydrophobicContact CD2-CG 3.59Å; L250-L535 HydrophobicContact CD1-CB 4.13Å; L250-L535 HydrophobicContact CD1-CD2 4.43Å; L250-I536 WeakPolarHBondContact CA-O 3.39Å; L250-W537 HydrophobicContact CD1-CD2 3.76Å; L250-W537 HydrophobicContact CD1-CE3 3.91Å; L250-W537 HydrophobicContact CD1-CG 4.07Å; L250-W537 HydrophobicContact CD1-CZ3 4.39Å
251	Q	94.8	Very high	90.1	Very high	89 Å²	89	72 Å²	72	42%	0.416	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.9	169.3	-59.8	169.3	-42.9	0	0	109.7	L290 I536	Q251-L290 HydrophobicContact CB-CD1 3.82Å; Q251-L290 HydrophobicContact CG-CD1 4.23Å; Q251-I536 HydrophobicContact CB-CB 4.23Å; Q251-I536 PolarHBondContact N-O 2.58Å; Q251-I536 PolarHBondContact O-N 3.25Å
252	R	95.3	Very high	90.1	Very high	140 Å²	140	70.3 Å²	70.3	53%	0.528	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.3	-177.7	-51.3	-156.4	174.6	80.1	-13	111.1	L250 E510 L535	L250-R252 VanDerWaalsContact CD2-CZ 3.46Å; L250-R252 VanDerWaalsContact CD2-NH2 3.3Å; L250-R252 HydrophobicContact CG-CG 4.47Å; R252-E510 IonicContact CZ-OE2 3.7Å; R252-E510 IonicContact NH2-OE2 3.74Å; R252-E510 PolarHBondContact NH2-OE2 2.91Å; R252-L535 HydrophobicContact CB-CD2 3.96Å; R252-L535 HydrophobicContact CG-CD2 3.42Å; R252-L535 VanDerWaalsContact CG-CD2 3.42Å
253	I	95.1	Very high	90.2	Very high	8 Å²	8	70.2 Å²	70.2	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.8	169	-49.6	-179.4	0	0	0	107.9	I273 W285 L290 T533 I534	I253-I273 HydrophobicContact CD1-CD1 4.09Å; I253-W285 HydrophobicContact CD1-CB 4.33Å; I253-W285 HydrophobicContact CD1-CD2 4.45Å; I253-W285 HydrophobicContact CD1-CG 4.31Å; I253-W285 HydrophobicContact CG2-CD2 3.82Å; I253-W285 HydrophobicContact CG2-CE3 3.46Å; I253-W285 VanDerWaalsContact CG2-CE3 3.46Å; I253-W285 HydrophobicContact CG2-CH2 3.78Å; I253-W285 HydrophobicContact CG2-CZ2 4.08Å; I253-W285 HydrophobicContact CG2-CZ3 3.43Å; I253-W285 VanDerWaalsContact CG2-CZ3 3.43Å; I253-L290 HydrophobicContact CD1-CB 4.46Å; I253-L290 HydrophobicContact CD1-CD2 4.19Å; I253-L290 HydrophobicContact CG1-CB 4.22Å; I253-L290 HydrophobicContact CG1-CD2 4.37Å; I253-T533 VanDerWaalsContact O-CA 3.28Å; I253-T533 WeakPolarHBondContact O-CA 3.27Å; I253-I534 HydrophobicContact CB-CB 4.2Å; I253-I534 HydrophobicContact CD1-CB 4.5Å; I253-I534 PolarHBondContact N-O 3.02Å; I253-I534 PolarHBondContact O-N 3.29Å
254	Q	93.4	Very high	90.3	Very high	89 Å²	89	72.3 Å²	72.3	42%	0.416	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.7	167.5	-173.7	70.3	57.6	0	0	108.8	R256 D532	Q254-R256 HydrophobicContact CB-CG 4.39Å; Q254-R256 HydrophobicContact CG-CG 3.92Å; Q254-R256 PolarHBondContact O-N 3.41Å; Q254-D532 PolarHBondContact NE2-O 3.48Å; Q254-D532 VanDerWaalsContact NE2-O 3.09Å; Q254-D532 PolarHBondContact NE2-OD2 2.76Å
255	C	89.6	Confident	90.5	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.014	31%	0.307	C	S	.	.			trans	-72.3	-17.3	-175.3	-71.9	0	0	0	0	114.3	S257 V263 L277 K283 W285 D532	C255-S257 VanDerWaalsContact C-N 3.29Å; C255-S257 PolarHBondContact O-N 2.96Å; C255-V263 HydrophobicContact CB-CG2 4.03Å; C255-V263 WeakPolarHBondContact SG-CG2 3.07Å; C255-L277 HydrophobicContact CB-CD2 3.91Å; C255-K283 PolarHBondContact O-NZ 3.36Å; C255-W285 HydrophobicContact CB-CZ2 4.15Å; C255-D532 WeakPolarHBondContact CB-O 3.45Å; C255-D532 PolarHBondContact N-O 2.69Å
256	R	87.8	Confident	90.8	Very high	206 Å²	206	63 Å²	63	78%	0.777	29%	0.287	S	S	*	.			trans	51.3	47.1	178	-58.6	-176.8	-171.9	-172.5	4.1	111.5	Q254 E258 D532	Q254-R256 HydrophobicContact CB-CG 4.39Å; Q254-R256 HydrophobicContact CG-CG 3.92Å; Q254-R256 PolarHBondContact O-N 3.41Å; R256-E258 PolarHBondContact O-N 3.4Å; R256-D532 WeakPolarHBondContact CA-OD2 3.45Å; R256-D532 PolarHBondContact N-OD2 3.26Å
257	S	82.5	Confident	91.2	Very high	7 Å²	7	64.2 Å²	64.2	5%	0.049	29%	0.289	C	S	.	.			trans	-65.6	124.8	175.5	-52.4	0	0	0	0	110.2	C255 S260 L277 D532	C255-S257 VanDerWaalsContact C-N 3.29Å; C255-S257 PolarHBondContact O-N 2.96Å; S257-S260 VanDerWaalsContact CB-O 3.26Å; S257-S260 WeakPolarHBondContact CB-O 3.42Å; S257-L277 WeakPolarHBondContact OG-CD2 3.47Å; S257-D532 WeakPolarHBondContact CB-OD1 3.45Å; S257-D532 PolarHBondContact N-OD2 2.82Å; S257-D532 PolarHBondContact OG-OD1 2.6Å
258	E	71.3	Confident	91.3	Very high	172 Å²	172	59.9 Å²	59.9	80%	0.804	27%	0.273	S	S	*	.	S	Bend	trans	-67.2	-51.9	-170	-60.2	-177.9	158.8	0	0	112.4	R256	R256-E258 PolarHBondContact O-N 3.4Å
259	N	76.1	Confident	91.4	Very high	150 Å²	150	59.6 Å²	59.6	80%	0.802	27%	0.273	S	S	*	.	S	Bend	trans	-112.3	-31	-168	-67.2	-63	0	0	0	113.9
260	S	84.3	Confident	91.2	Very high	32 Å²	32	62 Å²	62	22%	0.224	29%	0.286	C	S	.	.	S	Bend	trans	-139.9	111.1	-178.4	-139.4	0	0	0	0	111.3	S257 R278	S257-S260 VanDerWaalsContact CB-O 3.26Å; S257-S260 WeakPolarHBondContact CB-O 3.42Å; S260-R278 PolarHBondContact OG-NE 2.81Å
261	K	90.4	Very high	91.1	Very high	123 Å²	123	66 Å²	66	54%	0.535	30%	0.303	S	S	.	.			trans	-76.2	143.3	-176.6	-73.4	-171.3	178.7	-171.3	0	112.7	R278 D532	K261-R278 WeakPolarHBondContact O-CD 3.12Å; K261-D532 HydrophobicContact CB-CB 3.98Å; K261-D532 HydrophobicContact CD-CB 4.13Å; K261-D532 HydrophobicContact CG-CB 3.98Å
262	G	92.7	Very high	91.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	29%	0.292	C	S	.	.			trans	122.8	142.4	169	0	0	0	0	0	113.9	R278 S529 D532	G262-R278 WeakPolarHBondContact O-CB 3.11Å; G262-R278 PolarHBondContact O-N 3.08Å; G262-S529 WeakPolarHBondContact CA-O 3.29Å; G262-D532 PolarHBondContact N-OD1 3.02Å
263	V	96.5	Very high	91.2	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	101.9	-175.7	-179	0	0	0	0	108.7	C255 L277 F516 S528 S529 I534	C255-V263 HydrophobicContact CB-CG2 4.03Å; C255-V263 WeakPolarHBondContact SG-CG2 3.07Å; V263-L277 HydrophobicContact CG2-CG 4.34Å; V263-F516 WeakPolarHBondContact O-CB 3.18Å; V263-S528 PolarHBondContact O-OG 2.95Å; V263-S529 PolarHBondContact N-O 3.42Å; V263-I534 HydrophobicContact CG1-CD1 4.43Å; V263-I534 HydrophobicContact CG1-CG1 4.34Å; V263-I534 HydrophobicContact CG2-CG1 4.45Å
264	Y	97.5	Very high	91.3	Very high	47 Å²	47	56.6 Å²	56.6	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-32.5	-170.8	-77.4	-60.5	0	0	0	113.8	G276 R278 V303 L304 F516	Y264-G276 PolarHBondContact N-O 3.37Å; Y264-R278 HydrophobicContact CD2-CB 4.3Å; Y264-R278 HydrophobicContact CE2-CB 3.83Å; Y264-R278 HydrophobicContact CE2-CG 3.73Å; Y264-R278 PolarHBondContact OH-NE 3.29Å; Y264-V303 WeakPolarHBondContact CB-O 3.3Å; Y264-L304 HydrophobicContact CD2-CD2 3.69Å; Y264-L304 HydrophobicContact CE2-CD2 3.75Å; Y264-L304 HydrophobicContact CG-CD2 4.14Å; Y264-F516 HydrophobicContact CD1-CD1 4.23Å; Y264-F516 AromaticContact CD1-CD2 3.7Å; Y264-F516 HydrophobicContact CD1-CD2 3.7Å; Y264-F516 HydrophobicContact CD1-CE1 4.28Å; Y264-F516 AromaticContact CD1-CE2 3.73Å; Y264-F516 HydrophobicContact CD1-CE2 3.73Å; Y264-F516 AromaticContact CD1-CG 3.96Å; Y264-F516 HydrophobicContact CD1-CG 3.96Å; Y264-F516 HydrophobicContact CD1-CZ 4.02Å; Y264-F516 HydrophobicContact CE1-CD1 4.46Å; Y264-F516 HydrophobicContact CE1-CD2 4.11Å; Y264-F516 HydrophobicContact CE1-CE1 4.04Å; Y264-F516 AromaticContact CE1-CE2 3.63Å; Y264-F516 HydrophobicContact CE1-CE2 3.63Å; Y264-F516 HydrophobicContact CE1-CG 4.5Å; Y264-F516 AromaticContact CE1-CZ 3.6Å; Y264-F516 HydrophobicContact CE1-CZ 3.6Å; Y264-F516 HydrophobicContact CG-CD2 4.45Å
265	C	97.1	Very high	91.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.1	-176	56	0	0	0	0	111.7	S275 G276 C305 L306	C265-S275 WeakPolarHBondContact O-CA 3.25Å; C265-G276 PolarHBondContact N-O 2.91Å; C265-G276 PolarHBondContact O-N 2.93Å; C265-C305 VanDerWaalsContact SG-C 3.54Å; C265-C305 VanDerWaalsContact SG-CA 3.58Å; C265-L306 HydrophobicContact CB-CG 4.25Å
266	L	97.7	Very high	91.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.8	177.2	79.8	94.7	0	0	0	109.4	Y268 I274 R517 Q519 I526	L266-Y268 HydrophobicContact CD1-CD1 4.17Å; L266-I274 CarbonylContact C-O 3.56Å; L266-I274 VanDerWaalsContact CA-O 3.26Å; L266-I274 WeakPolarHBondContact CA-O 3.49Å; L266-R517 HydrophobicContact CD2-CB 4.21Å; L266-R517 HydrophobicContact CD2-CG 4.31Å; L266-R517 HydrophobicContact CG-CB 4.32Å; L266-R517 HydrophobicContact CG-CG 3.95Å; L266-Q519 HydrophobicContact CD1-CB 4.03Å; L266-I526 HydrophobicContact CD1-CB 4.24Å; L266-I526 HydrophobicContact CD1-CG2 3.98Å; L266-I526 HydrophobicContact CD2-CG2 4.32Å
267	Q	98	Very high	92.3	Very high	42 Å²	42	42.5 Å²	42.5	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.6	160	-179.5	-177.7	-30.9	0	0	108.2	I274 L306 Q307 Y308 Q519	Q267-I274 PolarHBondContact N-O 3.46Å; Q267-I274 PolarHBondContact O-N 3.11Å; Q267-L306 HydrophobicContact CB-CD1 3.76Å; Q267-Q307 VanDerWaalsContact OE1-CA 3.25Å; Q267-Y308 HydrophobicContact CB-CD1 3.8Å; Q267-Y308 HydrophobicContact CB-CE1 3.59Å; Q267-Y308 HydrophobicContact CG-CD1 3.75Å; Q267-Y308 HydrophobicContact CG-CE1 3.42Å; Q267-Y308 VanDerWaalsContact CG-CE1 3.42Å; Q267-Y308 PolarHBondContact NE2-O 3.39Å; Q267-Q519 VanDerWaalsContact CA-OE1 3.23Å
268	Y	96.4	Very high	92.9	Very high	13 Å²	13	46.3 Å²	46.3	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.5	175.5	71.9	-100.1	0	0	0	113.6	L266 K272 Q519 F520 D521 I526	L266-Y268 HydrophobicContact CD1-CD1 4.17Å; Y268-K272 WeakPolarHBondContact CA-O 3.42Å; Y268-Q519 HydrophobicContact CD1-CB 3.86Å; Y268-Q519 VanDerWaalsContact CD1-CD 3.41Å; Y268-Q519 HydrophobicContact CD1-CG 3.81Å; Y268-Q519 HydrophobicContact CE1-CB 3.58Å; Y268-Q519 HydrophobicContact CE1-CG 3.4Å; Y268-Q519 VanDerWaalsContact CE1-CG 3.4Å; Y268-Q519 PolarHBondContact O-NE2 3.3Å; Y268-F520 VanDerWaalsContact OH-C 3.28Å; Y268-F520 WeakPolarHBondContact OH-CA 3.35Å; Y268-D521 VanDerWaalsContact CE2-OD2 3.27Å; Y268-D521 WeakPolarHBondContact CE2-OD2 3.19Å; Y268-D521 VanDerWaalsContact OH-CG 3.31Å; Y268-D521 PolarHBondContact OH-N 3.05Å; Y268-D521 PolarHBondContact OH-OD2 3.49Å; Y268-I526 HydrophobicContact CD1-CB 3.69Å; Y268-I526 HydrophobicContact CD1-CD1 3.53Å; Y268-I526 HydrophobicContact CD1-CG1 3.69Å; Y268-I526 HydrophobicContact CD1-CG2 4.44Å; Y268-I526 HydrophobicContact CD2-CD1 4.16Å; Y268-I526 HydrophobicContact CE1-CB 3.69Å; Y268-I526 HydrophobicContact CE1-CD1 3.84Å; Y268-I526 HydrophobicContact CE1-CG1 3.56Å; Y268-I526 HydrophobicContact CE2-CD1 4.45Å; Y268-I526 HydrophobicContact CG-CD1 3.68Å; Y268-I526 HydrophobicContact CG-CG1 4.34Å
269	D	94	Very high	94	Very high	41 Å²	41	40 Å²	40	22%	0.219	19%	0.193	C	C	.	.			trans	-123.7	-161.4	162.7	57.9	57	0	0	0	109.2	E271 K272 K287 Y308	D269-E271 WeakPolarHBondContact OD1-CA 3.29Å; D269-E271 WeakPolarHBondContact OD1-CB 3.25Å; D269-E271 PolarHBondContact OD1-N 3.02Å; D269-K272 PolarHBondContact N-O 3.41Å; D269-K272 VanDerWaalsContact N-O 3.09Å; D269-K272 PolarHBondContact OD1-N 3.31Å; D269-K272 IonicContact OD1-NZ 3.97Å; D269-K272 PolarHBondContact OD1-NZ 2.94Å; D269-K272 WeakPolarHBondContact OD2-CG 3.3Å; D269-K272 IonicContact OD2-NZ 3.55Å; D269-K272 PolarHBondContact OD2-NZ 2.88Å; D269-K287 WeakPolarHBondContact O-CD 3.1Å; D269-K287 WeakPolarHBondContact O-CE 3.2Å; D269-K287 PolarHBondContact O-NZ 2.76Å; D269-Y308 PolarHBondContact N-OH 2.83Å; D269-Y308 VanDerWaalsContact OD2-CE2 3.3Å; D269-Y308 WeakPolarHBondContact OD2-CE2 3.37Å; D269-Y308 PolarHBondContact OD2-OH 3.05Å
270	D	89.9	Confident	94.9	Very high	96 Å²	96	35.3 Å²	35.3	51%	0.513	17%	0.167	S	C	.	.	S	Bend	trans	-90.3	-2	-179.1	-73.6	-58	0	0	0	115.6	K287	D270-K287 IonicContact OD1-NZ 3.63Å; D270-K287 PolarHBondContact OD1-NZ 3.36Å
271	E	92.6	Very high	95.4	Very high	126 Å²	126	34 Å²	34	59%	0.589	16%	0.159	S	C	*	.	S	Bend	trans	-103.8	-42.1	171.6	-56.2	175.8	140.6	0	0	111.7	D269 K287	D269-E271 WeakPolarHBondContact OD1-CA 3.29Å; D269-E271 WeakPolarHBondContact OD1-CB 3.25Å; D269-E271 PolarHBondContact OD1-N 3.02Å; E271-K287 VanDerWaalsContact O-CB 3.29Å; E271-K287 WeakPolarHBondContact O-CB 3.21Å; E271-K287 PolarHBondContact O-N 3.43Å
272	K	95.1	Very high	95.8	Very high	41 Å²	41	28.2 Å²	28.2	18%	0.178	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.6	-163.2	75.2	-155	78	66.6	0	114.1	Y268 D269 I284 W285	Y268-K272 WeakPolarHBondContact CA-O 3.42Å; D269-K272 PolarHBondContact N-O 3.41Å; D269-K272 VanDerWaalsContact N-O 3.09Å; D269-K272 PolarHBondContact OD1-N 3.31Å; D269-K272 IonicContact OD1-NZ 3.97Å; D269-K272 PolarHBondContact OD1-NZ 2.94Å; D269-K272 WeakPolarHBondContact OD2-CG 3.3Å; D269-K272 IonicContact OD2-NZ 3.55Å; D269-K272 PolarHBondContact OD2-NZ 2.88Å; K272-I284 HydrophobicContact CB-CG2 4.37Å; K272-W285 CarbonylContact C-O 3.58Å; K272-W285 VanDerWaalsContact CA-O 3.24Å; K272-W285 WeakPolarHBondContact CA-O 3.27Å; K272-W285 WeakPolarHBondContact CB-O 3.19Å
273	I	97.6	Very high	95.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.2	174.5	-53.7	168.7	0	0	0	107.8	I253 I284 W285 I526 I536	I253-I273 HydrophobicContact CD1-CD1 4.09Å; I273-I284 WeakPolarHBondContact O-CA 3.38Å; I273-W285 HydrophobicContact CB-CB 4.34Å; I273-W285 PolarHBondContact N-O 2.71Å; I273-W285 PolarHBondContact O-N 2.93Å; I273-I526 HydrophobicContact CD1-CD1 3.8Å; I273-I526 HydrophobicContact CG1-CD1 4.14Å; I273-I536 HydrophobicContact CD1-CD1 3.74Å; I273-I536 HydrophobicContact CD1-CG1 4.41Å
274	I	97.8	Very high	96	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.3	175.6	-51.4	-166.3	0	0	0	108.8	L266 Q267 I282 I284 L306 Y308 I313	L266-I274 CarbonylContact C-O 3.56Å; L266-I274 VanDerWaalsContact CA-O 3.26Å; L266-I274 WeakPolarHBondContact CA-O 3.49Å; Q267-I274 PolarHBondContact N-O 3.46Å; Q267-I274 PolarHBondContact O-N 3.11Å; I274-I282 HydrophobicContact CG2-CG2 3.72Å; I274-I284 HydrophobicContact CD1-CD1 4.38Å; I274-I284 HydrophobicContact CD1-CG1 4.41Å; I274-I284 HydrophobicContact CG1-CG1 4.23Å; I274-I284 HydrophobicContact CG1-CG2 4.37Å; I274-I284 HydrophobicContact CG2-CG1 4.31Å; I274-L306 HydrophobicContact CG2-CD1 4.41Å; I274-L306 HydrophobicContact CG2-CD2 4.12Å; I274-Y308 HydrophobicContact CB-CD1 4.04Å; I274-Y308 HydrophobicContact CB-CE1 3.95Å; I274-Y308 HydrophobicContact CD1-CD1 3.61Å; I274-Y308 HydrophobicContact CD1-CD2 4.02Å; I274-Y308 HydrophobicContact CD1-CE1 3.77Å; I274-Y308 HydrophobicContact CD1-CE2 4.19Å; I274-Y308 HydrophobicContact CD1-CG 3.74Å; I274-Y308 HydrophobicContact CG1-CD1 3.94Å; I274-Y308 HydrophobicContact CG1-CE1 3.68Å; I274-I313 HydrophobicContact CD1-CD1 3.78Å; I274-I313 HydrophobicContact CD1-CG1 4.01Å; I274-I313 HydrophobicContact CG2-CD1 4.33Å; I274-I313 HydrophobicContact CG2-CG2 4.39Å
275	S	97.4	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.7	-173.8	61.9	0	0	0	0	111.8	C265 L277 I282 K283 W285	C265-S275 WeakPolarHBondContact O-CA 3.25Å; S275-L277 WeakPolarHBondContact O-CD1 3.4Å; S275-I282 CarbonylContact O-C 3.37Å; S275-I282 VanDerWaalsContact O-CA 3.28Å; S275-I282 WeakPolarHBondContact O-CA 3.44Å; S275-I282 WeakPolarHBondContact O-CG2 3.48Å; S275-K283 PolarHBondContact N-O 3.03Å; S275-K283 PolarHBondContact O-N 3.02Å; S275-K283 PolarHBondContact OG-O 3.31Å; S275-W285 PolarHBondContact OG-NE1 3.12Å
276	G	97.3	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.5	176.9	0	0	0	0	0	110.9	Y264 C265	Y264-G276 PolarHBondContact N-O 3.37Å; C265-G276 PolarHBondContact N-O 2.91Å; C265-G276 PolarHBondContact O-N 2.93Å
277	L	96.6	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	161.7	-164.8	-67.7	87.8	0	0	0	112.7	C255 S257 V263 S275 D279 S281 K283 V303	C255-L277 HydrophobicContact CB-CD2 3.91Å; S257-L277 WeakPolarHBondContact OG-CD2 3.47Å; V263-L277 HydrophobicContact CG2-CG 4.34Å; S275-L277 WeakPolarHBondContact O-CD1 3.4Å; L277-D279 VanDerWaalsContact C-N 3.3Å; L277-D279 WeakPolarHBondContact CB-OD1 3.35Å; L277-S281 PolarHBondContact N-O 3.2Å; L277-K283 HydrophobicContact CD1-CB 3.85Å; L277-K283 HydrophobicContact CD1-CD 4.12Å; L277-K283 HydrophobicContact CD1-CG 3.76Å; L277-K283 HydrophobicContact CD2-CD 3.71Å; L277-K283 HydrophobicContact CD2-CG 4.28Å; L277-V303 PolarHBondContact O-N 2.88Å; L277-V303 VanDerWaalsContact O-N 3.07Å
278	R	95.7	Very high	95.3	Very high	87 Å²	87	36.5 Å²	36.5	33%	0.328	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.5	175.9	-168	172.8	-179.2	-139.3	-11.3	113.6	S260 K261 G262 Y264 N280 S302	S260-R278 PolarHBondContact OG-NE 2.81Å; K261-R278 WeakPolarHBondContact O-CD 3.12Å; G262-R278 WeakPolarHBondContact O-CB 3.11Å; G262-R278 PolarHBondContact O-N 3.08Å; Y264-R278 HydrophobicContact CD2-CB 4.3Å; Y264-R278 HydrophobicContact CE2-CB 3.83Å; Y264-R278 HydrophobicContact CE2-CG 3.73Å; Y264-R278 PolarHBondContact OH-NE 3.29Å; R278-N280 PolarHBondContact O-N 3.17Å; R278-N280 PolarHBondContact O-OD1 3.41Å; R278-S302 WeakPolarHBondContact CG-OG 3.48Å; R278-S302 PolarHBondContact O-OG 2.87Å
279	D	93.7	Very high	95.2	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.219	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	13.6	173.6	67.6	7.9	0	0	0	114.2	L277 S281 K283	L277-D279 VanDerWaalsContact C-N 3.3Å; L277-D279 WeakPolarHBondContact CB-OD1 3.35Å; D279-S281 PolarHBondContact O-N 3.27Å; D279-S281 VanDerWaalsContact OD1-CB 3.27Å; D279-S281 WeakPolarHBondContact OD1-CB 3.46Å; D279-S281 PolarHBondContact OD1-N 2.88Å; D279-S281 PolarHBondContact OD1-OG 2.98Å; D279-K283 IonicContact OD2-NZ 3.34Å; D279-K283 PolarHBondContact OD2-NZ 2.89Å
280	N	95.1	Very high	95.2	Very high	50 Å²	50	39.6 Å²	39.6	27%	0.267	19%	0.194	S	C	.	.	S	Bend	trans	70.3	0.7	-176.7	-46.5	-9.6	0	0	0	115	R278 T300 G301 S302	R278-N280 PolarHBondContact O-N 3.17Å; R278-N280 PolarHBondContact O-OD1 3.41Å; N280-T300 PolarHBondContact ND2-O 3.48Å; N280-T300 VanDerWaalsContact ND2-O 3.12Å; N280-G301 WeakPolarHBondContact CA-O 3.31Å; N280-G301 VanDerWaalsContact CB-O 3.29Å; N280-G301 WeakPolarHBondContact CB-O 3.35Å; N280-G301 VanDerWaalsContact CG-O 3.26Å; N280-G301 WeakPolarHBondContact OD1-CA 3.37Å; N280-G301 PolarHBondContact OD1-O 3.03Å; N280-S302 PolarHBondContact OD1-N 3.31Å; N280-S302 VanDerWaalsContact OD1-N 3.11Å
281	S	95.3	Very high	95.5	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	20%	0.199	C	C	.	.			trans	-87.9	160.7	177.2	75	0	0	0	0	113.4	L277 D279 K283 L296	L277-S281 PolarHBondContact N-O 3.2Å; D279-S281 PolarHBondContact O-N 3.27Å; D279-S281 VanDerWaalsContact OD1-CB 3.27Å; D279-S281 WeakPolarHBondContact OD1-CB 3.46Å; D279-S281 PolarHBondContact OD1-N 2.88Å; D279-S281 PolarHBondContact OD1-OG 2.98Å; S281-K283 WeakPolarHBondContact OG-CE 3.37Å; S281-L296 WeakPolarHBondContact CA-O 3.33Å
282	I	97.3	Very high	95.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.5	164.2	-50.8	160.4	0	0	0	106.2	I274 S275 V295 L296 V303 T315 W325	I274-I282 HydrophobicContact CG2-CG2 3.72Å; S275-I282 CarbonylContact O-C 3.37Å; S275-I282 VanDerWaalsContact O-CA 3.28Å; S275-I282 WeakPolarHBondContact O-CA 3.44Å; S275-I282 WeakPolarHBondContact O-CG2 3.48Å; I282-V295 CarbonylContact O-C 3.49Å; I282-V295 WeakPolarHBondContact O-CA 3.28Å; I282-L296 HydrophobicContact CB-CB 4.13Å; I282-L296 HydrophobicContact CB-CG 4.46Å; I282-L296 HydrophobicContact CD1-CB 4.33Å; I282-L296 HydrophobicContact CD1-CD1 4.4Å; I282-L296 PolarHBondContact N-O 3.37Å; I282-L296 PolarHBondContact O-N 2.77Å; I282-V303 HydrophobicContact CG1-CG1 4.44Å; I282-V303 HydrophobicContact CG1-CG2 4.02Å; I282-T315 HydrophobicContact CD1-CG2 3.56Å; I282-T315 HydrophobicContact CG1-CG2 4.24Å; I282-W325 HydrophobicContact CD1-CD2 4.14Å; I282-W325 HydrophobicContact CD1-CH2 4.4Å; I282-W325 HydrophobicContact CD1-CZ2 3.69Å
283	K	96.3	Very high	95.5	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.087	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	177.8	-65.2	179.8	-175.9	156.4	0	110.2	C255 S275 L277 D279 S281 W285 K294 V295	C255-K283 PolarHBondContact O-NZ 3.36Å; S275-K283 PolarHBondContact N-O 3.03Å; S275-K283 PolarHBondContact O-N 3.02Å; S275-K283 PolarHBondContact OG-O 3.31Å; L277-K283 HydrophobicContact CD1-CB 3.85Å; L277-K283 HydrophobicContact CD1-CD 4.12Å; L277-K283 HydrophobicContact CD1-CG 3.76Å; L277-K283 HydrophobicContact CD2-CD 3.71Å; L277-K283 HydrophobicContact CD2-CG 4.28Å; D279-K283 IonicContact OD2-NZ 3.34Å; D279-K283 PolarHBondContact OD2-NZ 2.89Å; S281-K283 WeakPolarHBondContact OG-CE 3.37Å; K283-W285 HydrophobicContact CB-CZ2 3.87Å; K283-W285 HydrophobicContact CD-CH2 4.37Å; K283-W285 HydrophobicContact CD-CZ2 3.81Å; K283-W285 HydrophobicContact CG-CZ2 4.45Å; K283-K294 WeakPolarHBondContact CA-O 3.21Å; K283-V295 HydrophobicContact CG-CG1 4.14Å; K283-V295 HydrophobicContact CG-CG2 4.18Å
284	I	96.8	Very high	95.3	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.6	174.7	-55.2	179.8	0	0	0	107.4	K272 I273 I274 C292 L293 K294 L296 I313	K272-I284 HydrophobicContact CB-CG2 4.37Å; I273-I284 WeakPolarHBondContact O-CA 3.38Å; I274-I284 HydrophobicContact CD1-CD1 4.38Å; I274-I284 HydrophobicContact CD1-CG1 4.41Å; I274-I284 HydrophobicContact CG1-CG1 4.23Å; I274-I284 HydrophobicContact CG1-CG2 4.37Å; I274-I284 HydrophobicContact CG2-CG1 4.31Å; I284-C292 CarbonylContact O-C 3.48Å; I284-L293 PolarHBondContact O-N 3.36Å; I284-K294 HydrophobicContact CB-CB 4.27Å; I284-K294 HydrophobicContact CD1-CB 4.3Å; I284-K294 HydrophobicContact CG1-CB 4.48Å; I284-K294 PolarHBondContact N-O 3.1Å; I284-K294 PolarHBondContact O-N 3.02Å; I284-L296 HydrophobicContact CD1-CD1 4.45Å; I284-I313 HydrophobicContact CD1-CD1 4.07Å
285	W	96.9	Very high	95.2	Very high	17 Å²	17	48.3 Å²	48.3	6%	0.064	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.9	-178.2	-48.9	84.7	0	0	0	110.2	I253 C255 K272 I273 S275 K283 E291 C292	I253-W285 HydrophobicContact CD1-CB 4.33Å; I253-W285 HydrophobicContact CD1-CD2 4.45Å; I253-W285 HydrophobicContact CD1-CG 4.31Å; I253-W285 HydrophobicContact CG2-CD2 3.82Å; I253-W285 HydrophobicContact CG2-CE3 3.46Å; I253-W285 VanDerWaalsContact CG2-CE3 3.46Å; I253-W285 HydrophobicContact CG2-CH2 3.78Å; I253-W285 HydrophobicContact CG2-CZ2 4.08Å; I253-W285 HydrophobicContact CG2-CZ3 3.43Å; I253-W285 VanDerWaalsContact CG2-CZ3 3.43Å; C255-W285 HydrophobicContact CB-CZ2 4.15Å; K272-W285 CarbonylContact C-O 3.58Å; K272-W285 VanDerWaalsContact CA-O 3.24Å; K272-W285 WeakPolarHBondContact CA-O 3.27Å; K272-W285 WeakPolarHBondContact CB-O 3.19Å; I273-W285 HydrophobicContact CB-CB 4.34Å; I273-W285 PolarHBondContact N-O 2.71Å; I273-W285 PolarHBondContact O-N 2.93Å; S275-W285 PolarHBondContact OG-NE1 3.12Å; K283-W285 HydrophobicContact CB-CZ2 3.87Å; K283-W285 HydrophobicContact CD-CH2 4.37Å; K283-W285 HydrophobicContact CD-CZ2 3.81Å; K283-W285 HydrophobicContact CG-CZ2 4.45Å; W285-E291 CarbonylContact C-O 3.6Å; W285-E291 VanDerWaalsContact CA-O 3.28Å; W285-E291 WeakPolarHBondContact CA-O 3.48Å; W285-C292 HydrophobicContact CD2-CB 4.41Å; W285-C292 HydrophobicContact CE3-CB 3.75Å; W285-C292 HydrophobicContact CH2-CB 4.11Å; W285-C292 HydrophobicContact CZ3-CB 3.6Å
286	D	96.1	Very high	95.2	Very high	38 Å²	38	49 Å²	49	20%	0.203	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.8	166.3	-172.2	-75.5	0	0	0	109.7	Q288 T289 L290 E291 L293	D286-Q288 WeakPolarHBondContact OD1-CA 3.42Å; D286-Q288 WeakPolarHBondContact OD1-CB 3.47Å; D286-Q288 PolarHBondContact OD1-N 3.33Å; D286-T289 WeakPolarHBondContact CB-OG1 3.29Å; D286-T289 PolarHBondContact OD1-N 2.92Å; D286-L290 WeakPolarHBondContact O-CA 3.27Å; D286-L290 PolarHBondContact O-N 3.17Å; D286-L290 VanDerWaalsContact O-N 3.08Å; D286-E291 PolarHBondContact N-O 2.94Å; D286-L293 HydrophobicContact CB-CD1 3.91Å; D286-L293 HydrophobicContact CB-CD2 4.14Å; D286-L293 HydrophobicContact CB-CG 3.95Å
287	K	92.4	Very high	95.1	Very high	20 Å²	20	53.8 Å²	53.8	9%	0.087	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.4	-177.6	-173.4	173.4	-179.7	176.5	0	113.5	D269 D270 E271 L290 Q524	D269-K287 WeakPolarHBondContact O-CD 3.1Å; D269-K287 WeakPolarHBondContact O-CE 3.2Å; D269-K287 PolarHBondContact O-NZ 2.76Å; D270-K287 IonicContact OD1-NZ 3.63Å; D270-K287 PolarHBondContact OD1-NZ 3.36Å; E271-K287 VanDerWaalsContact O-CB 3.29Å; E271-K287 WeakPolarHBondContact O-CB 3.21Å; E271-K287 PolarHBondContact O-N 3.43Å; K287-L290 WeakPolarHBondContact O-CD2 3.28Å; K287-Q524 VanDerWaalsContact NZ-NE2 3.1Å
288	Q	91.4	Very high	94.9	Very high	160 Å²	160	55.4 Å²	55.4	75%	0.748	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-44.7	-177	-54.5	-175.1	23.5	0	0	111.5	D286	D286-Q288 WeakPolarHBondContact OD1-CA 3.42Å; D286-Q288 WeakPolarHBondContact OD1-CB 3.47Å; D286-Q288 PolarHBondContact OD1-N 3.33Å
289	T	93.9	Very high	94.9	Very high	79 Å²	79	51.8 Å²	51.8	49%	0.485	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.7	178.8	74.2	0	0	0	0	113.3	D286 E291	D286-T289 WeakPolarHBondContact CB-OG1 3.29Å; D286-T289 PolarHBondContact OD1-N 2.92Å; T289-E291 PolarHBondContact O-N 3Å; T289-E291 WeakPolarHBondContact OG1-CB 3.28Å; T289-E291 PolarHBondContact OG1-N 3.48Å
290	L	94.8	Very high	95	Very high	39 Å²	39	55.2 Å²	55.2	20%	0.204	30%	0.304	C	S	.	.			trans	64.7	16	-173.8	-49.2	-179.2	0	0	0	114.3	Q251 I253 D286 K287 I536	Q251-L290 HydrophobicContact CB-CD1 3.82Å; Q251-L290 HydrophobicContact CG-CD1 4.23Å; I253-L290 HydrophobicContact CD1-CB 4.46Å; I253-L290 HydrophobicContact CD1-CD2 4.19Å; I253-L290 HydrophobicContact CG1-CB 4.22Å; I253-L290 HydrophobicContact CG1-CD2 4.37Å; D286-L290 WeakPolarHBondContact O-CA 3.27Å; D286-L290 PolarHBondContact O-N 3.17Å; D286-L290 VanDerWaalsContact O-N 3.08Å; K287-L290 WeakPolarHBondContact O-CD2 3.28Å; L290-I536 HydrophobicContact CD2-CD1 3.59Å
291	E	94.6	Very high	95.1	Very high	135 Å²	135	53.1 Å²	53.1	63%	0.631	29%	0.294	S	S	*	.			trans	-86	153.1	178.4	-62.1	-172.5	141.7	0	0	112.4	W285 D286 T289 L293	W285-E291 CarbonylContact C-O 3.6Å; W285-E291 VanDerWaalsContact CA-O 3.28Å; W285-E291 WeakPolarHBondContact CA-O 3.48Å; D286-E291 PolarHBondContact N-O 2.94Å; T289-E291 PolarHBondContact O-N 3Å; T289-E291 WeakPolarHBondContact OG1-CB 3.28Å; T289-E291 PolarHBondContact OG1-N 3.48Å; E291-L293 PolarHBondContact O-N 3Å
292	C	94.9	Very high	95.1	Very high	57 Å²	57	53.7 Å²	53.7	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	103.4	178.8	-174.6	0	0	0	0	110.3	I284 W285	I284-C292 CarbonylContact O-C 3.48Å; W285-C292 HydrophobicContact CD2-CB 4.41Å; W285-C292 HydrophobicContact CE3-CB 3.75Å; W285-C292 HydrophobicContact CH2-CB 4.11Å; W285-C292 HydrophobicContact CZ3-CB 3.6Å
293	L	94.1	Very high	95.2	Very high	99 Å²	99	53.7 Å²	53.7	52%	0.518	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-43.7	179.7	-65.2	175	0	0	0	112.6	I284 D286 E291	I284-L293 PolarHBondContact O-N 3.36Å; D286-L293 HydrophobicContact CB-CD1 3.91Å; D286-L293 HydrophobicContact CB-CD2 4.14Å; D286-L293 HydrophobicContact CB-CG 3.95Å; E291-L293 PolarHBondContact O-N 3Å
294	K	94	Very high	95.2	Very high	80 Å²	80	54 Å²	54	35%	0.348	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	147.8	-177.3	-67.2	-169.9	173.9	-171.5	0	112.3	K283 I284 L296 T328 T329	K283-K294 WeakPolarHBondContact CA-O 3.21Å; I284-K294 HydrophobicContact CB-CB 4.27Å; I284-K294 HydrophobicContact CD1-CB 4.3Å; I284-K294 HydrophobicContact CG1-CB 4.48Å; I284-K294 PolarHBondContact N-O 3.1Å; I284-K294 PolarHBondContact O-N 3.02Å; K294-L296 HydrophobicContact CB-CD2 4.38Å; K294-T328 PolarHBondContact NZ-O 3.21Å; K294-T329 PolarHBondContact NZ-O 2.9Å
295	V	95.6	Very high	95.3	Very high	76 Å²	76	53.7 Å²	53.7	46%	0.461	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	111.1	168.7	-171.3	0	0	0	0	107.8	I282 K283 T297	I282-V295 CarbonylContact O-C 3.49Å; I282-V295 WeakPolarHBondContact O-CA 3.28Å; K283-V295 HydrophobicContact CG-CG1 4.14Å; K283-V295 HydrophobicContact CG-CG2 4.18Å; V295-T297 HydrophobicContact CG1-CG2 4.17Å
296	L	95.7	Very high	95.4	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.068	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.4	174.1	-42	-177.5	0	0	0	108.9	S281 I282 I284 K294 I313 W325	S281-L296 WeakPolarHBondContact CA-O 3.33Å; I282-L296 HydrophobicContact CB-CB 4.13Å; I282-L296 HydrophobicContact CB-CG 4.46Å; I282-L296 HydrophobicContact CD1-CB 4.33Å; I282-L296 HydrophobicContact CD1-CD1 4.4Å; I282-L296 PolarHBondContact N-O 3.37Å; I282-L296 PolarHBondContact O-N 2.77Å; I284-L296 HydrophobicContact CD1-CD1 4.45Å; K294-L296 HydrophobicContact CB-CD2 4.38Å; L296-I313 HydrophobicContact CD1-CD1 3.87Å; L296-W325 HydrophobicContact CB-CE3 4.06Å; L296-W325 HydrophobicContact CB-CH2 4.49Å; L296-W325 HydrophobicContact CB-CZ3 3.92Å; L296-W325 HydrophobicContact CD1-CB 4.4Å; L296-W325 HydrophobicContact CD1-CD2 4.26Å; L296-W325 HydrophobicContact CD1-CE3 4.07Å; L296-W325 HydrophobicContact CD1-CG 4.43Å
297	T	95.1	Very high	95.5	Very high	102 Å²	102	52.2 Å²	52.2	63%	0.626	29%	0.291	S	S	*	.			trans	-132.8	154	-178.9	60.5	0	0	0	0	110.3	V295 W325	V295-T297 HydrophobicContact CG1-CG2 4.17Å; T297-W325 WeakPolarHBondContact O-CH2 3.49Å; T297-W325 WeakPolarHBondContact O-CZ3 3.39Å
298	G	93.1	Very high	95.7	Very high	34 Å²	34	51.9 Å²	51.9	35%	0.351	29%	0.29	S	S	.	.			trans	147.7	-26.8	177.1	0	0	0	0	0	114.2	R323	G298-R323 PolarHBondContact O-NH1 3.09Å; G298-R323 PolarHBondContact O-NH2 3.23Å
299	H	96.6	Very high	95.8	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.051	27%	0.27	C	S	.	.			trans	-60.9	143.1	165.3	-87.4	-61.4	0	0	0	110.2	V303 T315 S317 D319 T321 W325	H299-V303 HydrophobicContact CB-CG2 4.48Å; H299-T315 PolarHBondContact NE2-OG1 2.85Å; H299-S317 WeakPolarHBondContact CE1-CB 3.38Å; H299-S317 WeakPolarHBondContact ND1-CB 3.44Å; H299-D319 WeakPolarHBondContact CA-OD2 3.49Å; H299-D319 WeakPolarHBondContact CB-OD2 3.37Å; H299-D319 IonicContact CE1-OD1 3.45Å; H299-D319 IonicContact CE1-OD2 3.23Å; H299-D319 IonicContact CG-OD2 3.45Å; H299-D319 IonicContact ND1-OD1 3.95Å; H299-D319 PolarHBondContact ND1-OD1 3.04Å; H299-D319 IonicContact ND1-OD2 2.82Å; H299-D319 PolarHBondContact ND1-OD2 3.13Å; H299-T321 PolarHBondContact CE1-OG1 2.96Å; H299-T321 PolarHBondContact ND1-OG1 2.96Å; H299-W325 AromaticContact CD2-CZ2 3.83Å
300	T	95.9	Very high	95.7	Very high	113 Å²	113	52.2 Å²	52.2	69%	0.693	29%	0.288	S	S	*	.	S	Bend	trans	-99.8	-3.1	179	54	0	0	0	0	112.3	N280 D319	N280-T300 PolarHBondContact ND2-O 3.48Å; N280-T300 VanDerWaalsContact ND2-O 3.12Å; T300-D319 PolarHBondContact N-OD2 2.86Å; T300-D319 WeakPolarHBondContact OG1-CB 3.46Å
301	G	96	Very high	95.5	Very high	6 Å²	6	59.2 Å²	59.2	6%	0.062	31%	0.311	C	S	.	.	S	Bend	trans	-133.7	173.9	173.1	0	0	0	0	0	112.4	N280 S317 S318 D319	N280-G301 WeakPolarHBondContact CA-O 3.31Å; N280-G301 VanDerWaalsContact CB-O 3.29Å; N280-G301 WeakPolarHBondContact CB-O 3.35Å; N280-G301 VanDerWaalsContact CG-O 3.26Å; N280-G301 WeakPolarHBondContact OD1-CA 3.37Å; N280-G301 PolarHBondContact OD1-O 3.03Å; G301-S317 VanDerWaalsContact C-OG 3.28Å; G301-S317 PolarHBondContact O-OG 2.8Å; G301-S317 VanDerWaalsContact O-OG 3.11Å; G301-S318 VanDerWaalsContact CA-OG 3.3Å; G301-S318 WeakPolarHBondContact CA-OG 3.48Å; G301-D319 PolarHBondContact N-OD2 2.69Å
302	S	96.5	Very high	95.6	Very high	18 Å²	18	53.1 Å²	53.1	13%	0.126	28%	0.283	C	S	.	.			trans	-64.7	137.9	-177	-57.8	0	0	0	0	111.2	R278 N280 L304 S317 S318	R278-S302 WeakPolarHBondContact CG-OG 3.48Å; R278-S302 PolarHBondContact O-OG 2.87Å; N280-S302 PolarHBondContact OD1-N 3.31Å; N280-S302 VanDerWaalsContact OD1-N 3.11Å; S302-L304 WeakPolarHBondContact O-CG 3.31Å; S302-L304 PolarHBondContact O-N 2.98Å; S302-S317 WeakPolarHBondContact O-CA 3.31Å; S302-S317 PolarHBondContact O-OG 3.44Å; S302-S318 PolarHBondContact N-OG 2.92Å; S302-S318 PolarHBondContact O-N 3.44Å
303	V	98	Very high	95.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	106	178.4	-175.6	0	0	0	0	108.8	Y264 L277 I282 H299 T315	Y264-V303 WeakPolarHBondContact CB-O 3.3Å; L277-V303 PolarHBondContact O-N 2.88Å; L277-V303 VanDerWaalsContact O-N 3.07Å; I282-V303 HydrophobicContact CG1-CG1 4.44Å; I282-V303 HydrophobicContact CG1-CG2 4.02Å; H299-V303 HydrophobicContact CB-CG2 4.48Å; V303-T315 HydrophobicContact CG1-CG2 4.16Å
304	L	98.1	Very high	95.9	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.147	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-31.5	-171.2	-58.2	-174.9	0	0	0	112.6	Y264 S302 G316 A342 L344	Y264-L304 HydrophobicContact CD2-CD2 3.69Å; Y264-L304 HydrophobicContact CE2-CD2 3.75Å; Y264-L304 HydrophobicContact CG-CD2 4.14Å; S302-L304 WeakPolarHBondContact O-CG 3.31Å; S302-L304 PolarHBondContact O-N 2.98Å; L304-G316 PolarHBondContact N-O 3.33Å; L304-A342 HydrophobicContact CD1-CB 4.01Å; L304-L344 HydrophobicContact CD1-CD2 3.74Å
305	C	97.9	Very high	96.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.5	178.4	59.3	0	0	0	0	111.6	C265 T315 G316 H345	C265-C305 VanDerWaalsContact SG-C 3.54Å; C265-C305 VanDerWaalsContact SG-CA 3.58Å; C305-T315 WeakPolarHBondContact O-CA 3.22Å; C305-G316 PolarHBondContact N-O 3.05Å; C305-G316 VanDerWaalsContact N-O 3.15Å; C305-G316 PolarHBondContact O-N 2.87Å; C305-G316 VanDerWaalsContact SG-CA 3.59Å; C305-H345 VanDerWaalsContact SG-CA 3.51Å
306	L	98.1	Very high	96.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.3	170.3	70.5	86.4	0	0	0	110.5	C265 Q267 I274 Y308 V314 T315	C265-L306 HydrophobicContact CB-CG 4.25Å; Q267-L306 HydrophobicContact CB-CD1 3.76Å; I274-L306 HydrophobicContact CG2-CD1 4.41Å; I274-L306 HydrophobicContact CG2-CD2 4.12Å; L306-Y308 HydrophobicContact CD1-CD1 4.47Å; L306-V314 VanDerWaalsContact CA-O 3.29Å; L306-V314 WeakPolarHBondContact CA-O 3.49Å; L306-T315 HydrophobicContact CB-CG2 3.82Å
307	Q	98.2	Very high	96.4	Very high	23 Å²	23	37.6 Å²	37.6	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.2	157.3	-178.4	-179	-32.6	0	0	107.5	Q267 V314 L346 R347 F348	Q267-Q307 VanDerWaalsContact OE1-CA 3.25Å; Q307-V314 PolarHBondContact N-O 2.76Å; Q307-V314 PolarHBondContact O-N 2.71Å; Q307-L346 HydrophobicContact CB-CD1 3.97Å; Q307-R347 VanDerWaalsContact CD-NH1 3.32Å; Q307-F348 HydrophobicContact CB-CD1 3.96Å; Q307-F348 HydrophobicContact CB-CE1 3.73Å; Q307-F348 HydrophobicContact CG-CD1 3.98Å; Q307-F348 HydrophobicContact CG-CE1 3.66Å; Q307-F348 HydrophobicContact CG-CZ 4.37Å; Q307-F348 PolarHBondContact NE2-O 3.26Å; Q307-F348 PolarHBondContact OE1-O 3.26Å
308	Y	96.7	Very high	96.5	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.7	167.2	73.5	-88.2	0	0	0	112.7	Q267 D269 I274 L306 V312	Q267-Y308 HydrophobicContact CB-CD1 3.8Å; Q267-Y308 HydrophobicContact CB-CE1 3.59Å; Q267-Y308 HydrophobicContact CG-CD1 3.75Å; Q267-Y308 HydrophobicContact CG-CE1 3.42Å; Q267-Y308 VanDerWaalsContact CG-CE1 3.42Å; Q267-Y308 PolarHBondContact NE2-O 3.39Å; D269-Y308 PolarHBondContact N-OH 2.83Å; D269-Y308 VanDerWaalsContact OD2-CE2 3.3Å; D269-Y308 WeakPolarHBondContact OD2-CE2 3.37Å; D269-Y308 PolarHBondContact OD2-OH 3.05Å; I274-Y308 HydrophobicContact CB-CD1 4.04Å; I274-Y308 HydrophobicContact CB-CE1 3.95Å; I274-Y308 HydrophobicContact CD1-CD1 3.61Å; I274-Y308 HydrophobicContact CD1-CD2 4.02Å; I274-Y308 HydrophobicContact CD1-CE1 3.77Å; I274-Y308 HydrophobicContact CD1-CE2 4.19Å; I274-Y308 HydrophobicContact CD1-CG 3.74Å; I274-Y308 HydrophobicContact CG1-CD1 3.94Å; I274-Y308 HydrophobicContact CG1-CE1 3.68Å; L306-Y308 HydrophobicContact CD1-CD1 4.47Å; Y308-V312 CarbonylContact C-O 3.52Å; Y308-V312 WeakPolarHBondContact CA-O 3.39Å; Y308-V312 WeakPolarHBondContact CB-O 3.45Å
309	D	94.8	Very high	96.8	Very high	64 Å²	64	35 Å²	35	34%	0.342	18%	0.177	S	C	.	.			trans	-125.1	-166.9	166.5	73.7	6.1	0	0	0	110.3	R311 V312 F348	D309-R311 PolarHBondContact O-N 2.89Å; D309-R311 VanDerWaalsContact O-N 3.11Å; D309-R311 WeakPolarHBondContact OD1-CA 3.26Å; D309-R311 PolarHBondContact OD1-N 3.02Å; D309-V312 PolarHBondContact N-O 2.84Å; D309-V312 WeakPolarHBondContact OD1-CG2 3.4Å; D309-V312 PolarHBondContact OD1-N 2.85Å; D309-F348 HydrophobicContact CB-CE2 4.05Å; D309-F348 HydrophobicContact CB-CZ 4.1Å
310	E	90.6	Very high	96.8	Very high	182 Å²	182	36 Å²	36	85%	0.85	19%	0.185	S	C	*	.	S	Bend	trans	-62.7	-15	179.9	-62.8	178.3	172.6	0	0	114.6
311	R	91.3	Very high	96.9	Very high	186 Å²	186	31.4 Å²	31.4	70%	0.702	16%	0.157	S	C	*	.	S	Bend	trans	-118	-46.1	-170.5	-58.7	179.1	-178.7	-173.2	-0.1	112.4	D309 V327	D309-R311 PolarHBondContact O-N 2.89Å; D309-R311 VanDerWaalsContact O-N 3.11Å; D309-R311 WeakPolarHBondContact OD1-CA 3.26Å; D309-R311 PolarHBondContact OD1-N 3.02Å; R311-V327 PolarHBondContact O-N 3.05Å
312	V	96.6	Very high	97	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.6	-170.3	-64.6	0	0	0	0	114	Y308 D309 V314 V324 W325 L333 F348 P370	Y308-V312 CarbonylContact C-O 3.52Å; Y308-V312 WeakPolarHBondContact CA-O 3.39Å; Y308-V312 WeakPolarHBondContact CB-O 3.45Å; D309-V312 PolarHBondContact N-O 2.84Å; D309-V312 WeakPolarHBondContact OD1-CG2 3.4Å; D309-V312 PolarHBondContact OD1-N 2.85Å; V312-V314 HydrophobicContact CG2-CG2 4.16Å; V312-V324 HydrophobicContact CB-CG1 3.86Å; V312-V324 HydrophobicContact CG1-CG1 3.77Å; V312-V324 HydrophobicContact CG2-CG1 4.47Å; V312-W325 CarbonylContact C-O 3.57Å; V312-W325 VanDerWaalsContact CA-O 3.24Å; V312-W325 WeakPolarHBondContact CA-O 3.38Å; V312-L333 HydrophobicContact CG1-CD1 4.04Å; V312-F348 HydrophobicContact CG2-CE2 4.23Å; V312-F348 HydrophobicContact CG2-CZ 4.04Å; V312-P370 HydrophobicContact CG1-CB 3.79Å; V312-P370 HydrophobicContact CG1-CG 3.6Å
313	I	97.8	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	161.5	-45.3	172.4	0	0	0	106.7	I274 I284 L296 T315 V324 W325 V327	I274-I313 HydrophobicContact CD1-CD1 3.78Å; I274-I313 HydrophobicContact CD1-CG1 4.01Å; I274-I313 HydrophobicContact CG2-CD1 4.33Å; I274-I313 HydrophobicContact CG2-CG2 4.39Å; I284-I313 HydrophobicContact CD1-CD1 4.07Å; L296-I313 HydrophobicContact CD1-CD1 3.87Å; I313-T315 HydrophobicContact CG2-CG2 3.87Å; I313-V324 WeakPolarHBondContact O-CA 2.94Å; I313-W325 HydrophobicContact CB-CB 4.25Å; I313-W325 PolarHBondContact N-O 3.17Å; I313-W325 PolarHBondContact O-N 3.05Å; I313-V327 HydrophobicContact CG1-CG2 3.69Å
314	V	98.3	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.5	174.1	-172.7	0	0	0	0	108.8	L306 Q307 V312 V322 R323 V324 L346 F348 M353 M367	L306-V314 VanDerWaalsContact CA-O 3.29Å; L306-V314 WeakPolarHBondContact CA-O 3.49Å; Q307-V314 PolarHBondContact N-O 2.76Å; Q307-V314 PolarHBondContact O-N 2.71Å; V312-V314 HydrophobicContact CG2-CG2 4.16Å; V314-V322 HydrophobicContact CG1-CG1 3.71Å; V314-R323 CarbonylContact C-O 3.57Å; V314-R323 WeakPolarHBondContact CA-O 3.36Å; V314-V324 HydrophobicContact CG2-CG1 4.46Å; V314-V324 HydrophobicContact CG2-CG2 4.39Å; V314-L346 HydrophobicContact CB-CD1 4.15Å; V314-L346 HydrophobicContact CG1-CD1 4.02Å; V314-L346 HydrophobicContact CG1-CD2 3.92Å; V314-F348 HydrophobicContact CB-CD1 4.03Å; V314-F348 HydrophobicContact CB-CE1 3.82Å; V314-F348 HydrophobicContact CG2-CD1 3.8Å; V314-F348 HydrophobicContact CG2-CE1 3.47Å; V314-F348 VanDerWaalsContact CG2-CE1 3.47Å; V314-F348 HydrophobicContact CG2-CZ 3.99Å; V314-M353 HydrophobicContact CG1-SD 3.73Å; V314-M367 HydrophobicContact CG2-CE 4.27Å
315	T	98.4	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.5	-174	58.8	0	0	0	0	113	I282 H299 V303 C305 L306 I313 V322 R323 W325	I282-T315 HydrophobicContact CD1-CG2 3.56Å; I282-T315 HydrophobicContact CG1-CG2 4.24Å; H299-T315 PolarHBondContact NE2-OG1 2.85Å; V303-T315 HydrophobicContact CG1-CG2 4.16Å; C305-T315 WeakPolarHBondContact O-CA 3.22Å; L306-T315 HydrophobicContact CB-CG2 3.82Å; I313-T315 HydrophobicContact CG2-CG2 3.87Å; T315-V322 CarbonylContact O-C 3.58Å; T315-V322 VanDerWaalsContact O-CA 3.26Å; T315-V322 WeakPolarHBondContact O-CA 3.35Å; T315-R323 PolarHBondContact N-O 3.11Å; T315-R323 PolarHBondContact O-N 3.49Å; T315-W325 PolarHBondContact OG1-NE1 3.46Å
316	G	98.4	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.8	173.7	0	0	0	0	0	111.2	L304 C305	L304-G316 PolarHBondContact N-O 3.33Å; C305-G316 PolarHBondContact N-O 3.05Å; C305-G316 VanDerWaalsContact N-O 3.15Å; C305-G316 PolarHBondContact O-N 2.87Å; C305-G316 VanDerWaalsContact SG-CA 3.59Å
317	S	98.3	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	163.3	-167.6	168.9	0	0	0	0	113.3	H299 G301 S302 D319 S320 T321 V343	H299-S317 WeakPolarHBondContact CE1-CB 3.38Å; H299-S317 WeakPolarHBondContact ND1-CB 3.44Å; G301-S317 VanDerWaalsContact C-OG 3.28Å; G301-S317 PolarHBondContact O-OG 2.8Å; G301-S317 VanDerWaalsContact O-OG 3.11Å; S302-S317 WeakPolarHBondContact O-CA 3.31Å; S302-S317 PolarHBondContact O-OG 3.44Å; S317-D319 WeakPolarHBondContact CB-OD1 3.44Å; S317-D319 WeakPolarHBondContact CB-OD2 3.34Å; S317-D319 PolarHBondContact O-N 3.5Å; S317-D319 PolarHBondContact OG-N 2.81Å; S317-D319 VanDerWaalsContact OG-N 3.09Å; S317-D319 PolarHBondContact OG-OD1 3.35Å; S317-D319 PolarHBondContact OG-OD2 3.2Å; S317-S320 PolarHBondContact O-N 2.62Å; S317-T321 PolarHBondContact N-O 3.27Å; S317-V343 PolarHBondContact O-N 2.95Å
318	S	97.9	Very high	96.4	Very high	56 Å²	56	38.4 Å²	38.4	39%	0.392	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.1	168.1	78.6	0	0	0	0	113.8	G301 S302 S320	G301-S318 VanDerWaalsContact CA-OG 3.3Å; G301-S318 WeakPolarHBondContact CA-OG 3.48Å; S302-S318 PolarHBondContact N-OG 2.92Å; S302-S318 PolarHBondContact O-N 3.44Å; S318-S320 PolarHBondContact O-N 2.98Å
319	D	97.4	Very high	96.2	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.134	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	7	171.3	63.1	39.7	0	0	0	114.6	H299 T300 G301 S317 T321	H299-D319 WeakPolarHBondContact CA-OD2 3.49Å; H299-D319 WeakPolarHBondContact CB-OD2 3.37Å; H299-D319 IonicContact CE1-OD1 3.45Å; H299-D319 IonicContact CE1-OD2 3.23Å; H299-D319 IonicContact CG-OD2 3.45Å; H299-D319 IonicContact ND1-OD1 3.95Å; H299-D319 PolarHBondContact ND1-OD1 3.04Å; H299-D319 IonicContact ND1-OD2 2.82Å; H299-D319 PolarHBondContact ND1-OD2 3.13Å; T300-D319 PolarHBondContact N-OD2 2.86Å; T300-D319 WeakPolarHBondContact OG1-CB 3.46Å; G301-D319 PolarHBondContact N-OD2 2.69Å; S317-D319 WeakPolarHBondContact CB-OD1 3.44Å; S317-D319 WeakPolarHBondContact CB-OD2 3.34Å; S317-D319 PolarHBondContact O-N 3.5Å; S317-D319 PolarHBondContact OG-N 2.81Å; S317-D319 VanDerWaalsContact OG-N 3.09Å; S317-D319 PolarHBondContact OG-OD1 3.35Å; S317-D319 PolarHBondContact OG-OD2 3.2Å; D319-T321 PolarHBondContact O-N 3.39Å; D319-T321 VanDerWaalsContact O-N 3.16Å; D319-T321 WeakPolarHBondContact OD1-CB 3.39Å; D319-T321 PolarHBondContact OD1-N 3.49Å; D319-T321 PolarHBondContact OD1-OG1 3.45Å
320	S	97.7	Very high	96.1	Very high	31 Å²	31	38.2 Å²	38.2	22%	0.217	20%	0.196	C	C	.	.	S	Bend	trans	65.5	0.4	-178	72.3	0	0	0	0	116.4	S317 S318 H339 E341	S317-S320 PolarHBondContact O-N 2.62Å; S318-S320 PolarHBondContact O-N 2.98Å; S320-H339 WeakPolarHBondContact CB-O 3.47Å; S320-H339 PolarHBondContact OG-O 2.76Å; S320-E341 VanDerWaalsContact CB-C 3.49Å; S320-E341 WeakPolarHBondContact CB-O 3.45Å
321	T	98	Very high	96.3	Very high	17 Å²	17	35.8 Å²	35.8	10%	0.104	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.2	172.4	72.7	0	0	0	0	112.3	H299 S317 D319 T335 L336 I337	H299-T321 PolarHBondContact CE1-OG1 2.96Å; H299-T321 PolarHBondContact ND1-OG1 2.96Å; S317-T321 PolarHBondContact N-O 3.27Å; D319-T321 PolarHBondContact O-N 3.39Å; D319-T321 VanDerWaalsContact O-N 3.16Å; D319-T321 WeakPolarHBondContact OD1-CB 3.39Å; D319-T321 PolarHBondContact OD1-N 3.49Å; D319-T321 PolarHBondContact OD1-OG1 3.45Å; T321-T335 HydrophobicContact CG2-CG2 4.25Å; T321-L336 WeakPolarHBondContact CA-O 3.42Å; T321-I337 HydrophobicContact CG2-CG1 4.26Å
322	V	98.4	Very high	96.5	Very high	2 Å²	2	30 Å²	30	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.8	160	179.5	0	0	0	0	108	V314 T315 T335 L336 V343 L346 T355	V314-V322 HydrophobicContact CG1-CG1 3.71Å; T315-V322 CarbonylContact O-C 3.58Å; T315-V322 VanDerWaalsContact O-CA 3.26Å; T315-V322 WeakPolarHBondContact O-CA 3.35Å; V322-T335 CarbonylContact O-C 3.54Å; V322-L336 HydrophobicContact CB-CB 4.3Å; V322-L336 HydrophobicContact CB-CD1 4.48Å; V322-L336 HydrophobicContact CG1-CD1 4.49Å; V322-L336 PolarHBondContact N-O 3.04Å; V322-L336 VanDerWaalsContact N-O 3.09Å; V322-L336 PolarHBondContact O-N 2.94Å; V322-V343 HydrophobicContact CG2-CB 4.36Å; V322-V343 HydrophobicContact CG2-CG1 3.96Å; V322-V343 HydrophobicContact CG2-CG2 3.91Å; V322-L346 HydrophobicContact CG1-CD2 4.15Å; V322-T355 HydrophobicContact CG2-CG2 4.06Å
323	R	98.2	Very high	96.5	Very high	41 Å²	41	32.5 Å²	32.5	16%	0.155	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146	179.3	-66.9	-172.7	-175.5	-152.9	6.9	111.6	G298 V314 T315 W325 N334 T335	G298-R323 PolarHBondContact O-NH1 3.09Å; G298-R323 PolarHBondContact O-NH2 3.23Å; V314-R323 CarbonylContact C-O 3.57Å; V314-R323 WeakPolarHBondContact CA-O 3.36Å; T315-R323 PolarHBondContact N-O 3.11Å; T315-R323 PolarHBondContact O-N 3.49Å; R323-W325 HydrophobicContact CB-CZ2 4.21Å; R323-N334 WeakPolarHBondContact CA-O 3.39Å; R323-T335 HydrophobicContact CG-CG2 4.12Å
324	V	97.9	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.7	173.1	-172.7	0	0	0	0	107.3	V312 I313 V314 L333 N334 P370 I373	V312-V324 HydrophobicContact CB-CG1 3.86Å; V312-V324 HydrophobicContact CG1-CG1 3.77Å; V312-V324 HydrophobicContact CG2-CG1 4.47Å; I313-V324 WeakPolarHBondContact O-CA 2.94Å; V314-V324 HydrophobicContact CG2-CG1 4.46Å; V314-V324 HydrophobicContact CG2-CG2 4.39Å; V324-L333 HydrophobicContact CG1-CB 4.46Å; V324-L333 PolarHBondContact O-N 2.73Å; V324-N334 HydrophobicContact CB-CB 3.94Å; V324-N334 HydrophobicContact CG2-CB 4.05Å; V324-N334 PolarHBondContact N-O 2.88Å; V324-N334 PolarHBondContact O-N 2.71Å; V324-P370 HydrophobicContact CG1-CB 4.1Å; V324-I373 HydrophobicContact CG2-CD1 3.71Å
325	W	97.7	Very high	96.3	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.4	-179.2	-42.4	71.5	0	0	0	108.9	I282 L296 T297 H299 V312 I313 T315 R323 E331 V332	I282-W325 HydrophobicContact CD1-CD2 4.14Å; I282-W325 HydrophobicContact CD1-CH2 4.4Å; I282-W325 HydrophobicContact CD1-CZ2 3.69Å; L296-W325 HydrophobicContact CB-CE3 4.06Å; L296-W325 HydrophobicContact CB-CH2 4.49Å; L296-W325 HydrophobicContact CB-CZ3 3.92Å; L296-W325 HydrophobicContact CD1-CB 4.4Å; L296-W325 HydrophobicContact CD1-CD2 4.26Å; L296-W325 HydrophobicContact CD1-CE3 4.07Å; L296-W325 HydrophobicContact CD1-CG 4.43Å; T297-W325 WeakPolarHBondContact O-CH2 3.49Å; T297-W325 WeakPolarHBondContact O-CZ3 3.39Å; H299-W325 AromaticContact CD2-CZ2 3.83Å; V312-W325 CarbonylContact C-O 3.57Å; V312-W325 VanDerWaalsContact CA-O 3.24Å; V312-W325 WeakPolarHBondContact CA-O 3.38Å; I313-W325 HydrophobicContact CB-CB 4.25Å; I313-W325 PolarHBondContact N-O 3.17Å; I313-W325 PolarHBondContact O-N 3.05Å; T315-W325 PolarHBondContact OG1-NE1 3.46Å; R323-W325 HydrophobicContact CB-CZ2 4.21Å; W325-E331 CarbonylContact C-O 3.58Å; W325-E331 WeakPolarHBondContact CA-O 2.98Å; W325-V332 HydrophobicContact CD2-CG2 4.04Å; W325-V332 HydrophobicContact CE3-CG2 3.44Å; W325-V332 VanDerWaalsContact CE3-CG2 3.44Å; W325-V332 HydrophobicContact CH2-CG2 3.84Å; W325-V332 HydrophobicContact CZ2-CG2 4.38Å; W325-V332 HydrophobicContact CZ3-CG2 3.33Å
326	E	95.9	Very high	96.3	Very high	64 Å²	64	37.4 Å²	37.4	30%	0.299	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.4	169.8	-164.3	-174.2	-167.9	0	0	110.3	T328 T329 G330 E331 L333	E326-T328 WeakPolarHBondContact CG-OG1 3.43Å; E326-T328 PolarHBondContact O-N 3.23Å; E326-T328 PolarHBondContact OE1-OG1 2.9Å; E326-T329 WeakPolarHBondContact CB-OG1 3.34Å; E326-T329 WeakPolarHBondContact OE2-CB 3.23Å; E326-T329 WeakPolarHBondContact OE2-CG2 3.45Å; E326-T329 PolarHBondContact OE2-OG1 3.16Å; E326-G330 VanDerWaalsContact O-CA 3.26Å; E326-G330 WeakPolarHBondContact O-CA 3.45Å; E326-G330 PolarHBondContact O-N 2.99Å; E326-E331 PolarHBondContact N-O 2.84Å; E326-L333 HydrophobicContact CB-CD1 3.93Å; E326-L333 HydrophobicContact CB-CD2 4.27Å; E326-L333 HydrophobicContact CB-CG 4.12Å; E326-L333 HydrophobicContact CG-CD1 4.49Å
327	V	92.9	Very high	96.2	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.139	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-37.5	-178.4	171.2	0	0	0	0	112.2	R311 I313	R311-V327 PolarHBondContact O-N 3.05Å; I313-V327 HydrophobicContact CG1-CG2 3.69Å
328	T	91.4	Very high	96.1	Very high	90 Å²	90	46.8 Å²	46.8	55%	0.552	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-53.3	-172.7	52.1	0	0	0	0	112.1	K294 E326	K294-T328 PolarHBondContact NZ-O 3.21Å; E326-T328 WeakPolarHBondContact CG-OG1 3.43Å; E326-T328 PolarHBondContact O-N 3.23Å; E326-T328 PolarHBondContact OE1-OG1 2.9Å
329	T	91.9	Very high	96.1	Very high	61 Å²	61	44.5 Å²	44.5	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-45.7	179.9	60.5	0	0	0	0	111.7	K294 E326 E331	K294-T329 PolarHBondContact NZ-O 2.9Å; E326-T329 WeakPolarHBondContact CB-OG1 3.34Å; E326-T329 WeakPolarHBondContact OE2-CB 3.23Å; E326-T329 WeakPolarHBondContact OE2-CG2 3.45Å; E326-T329 PolarHBondContact OE2-OG1 3.16Å; T329-E331 PolarHBondContact OG1-N 2.87Å; T329-E331 VanDerWaalsContact OG1-N 3.15Å
330	G	92.7	Very high	96	Very high	13 Å²	13	50.1 Å²	50.1	13%	0.134	27%	0.271	C	S	.	.			trans	93.6	8	-167.1	0	0	0	0	0	114	E326	E326-G330 VanDerWaalsContact O-CA 3.26Å; E326-G330 WeakPolarHBondContact O-CA 3.45Å; E326-G330 PolarHBondContact O-N 2.99Å
331	E	94.4	Very high	96	Very high	132 Å²	132	52.2 Å²	52.2	62%	0.617	28%	0.277	S	S	*	.			trans	-76.1	150	179.6	-67.7	-175.6	-166.2	0	0	112.6	W325 E326 T329 L333	W325-E331 CarbonylContact C-O 3.58Å; W325-E331 WeakPolarHBondContact CA-O 2.98Å; E326-E331 PolarHBondContact N-O 2.84Å; T329-E331 PolarHBondContact OG1-N 2.87Å; T329-E331 VanDerWaalsContact OG1-N 3.15Å; E331-L333 PolarHBondContact O-N 3.2Å
332	V	96.1	Very high	96	Very high	63 Å²	63	52.1 Å²	52.1	38%	0.382	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109	176.4	-179.6	0	0	0	0	109.3	W325	W325-V332 HydrophobicContact CD2-CG2 4.04Å; W325-V332 HydrophobicContact CE3-CG2 3.44Å; W325-V332 VanDerWaalsContact CE3-CG2 3.44Å; W325-V332 HydrophobicContact CH2-CG2 3.84Å; W325-V332 HydrophobicContact CZ2-CG2 4.38Å; W325-V332 HydrophobicContact CZ3-CG2 3.33Å
333	L	96.1	Very high	96.1	Very high	60 Å²	60	52 Å²	52	31%	0.314	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-34.2	176.7	-59.9	178.6	0	0	0	112.2	V312 V324 E326 E331 P370	V312-L333 HydrophobicContact CG1-CD1 4.04Å; V324-L333 HydrophobicContact CG1-CB 4.46Å; V324-L333 PolarHBondContact O-N 2.73Å; E326-L333 HydrophobicContact CB-CD1 3.93Å; E326-L333 HydrophobicContact CB-CD2 4.27Å; E326-L333 HydrophobicContact CB-CG 4.12Å; E326-L333 HydrophobicContact CG-CD1 4.49Å; E331-L333 PolarHBondContact O-N 3.2Å; L333-P370 HydrophobicContact CB-CB 4.36Å; L333-P370 HydrophobicContact CD1-CB 3.6Å; L333-P370 HydrophobicContact CD1-CG 4.28Å
334	N	96.3	Very high	96.1	Very high	33 Å²	33	51.6 Å²	51.6	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	154.1	-175.8	-155.3	-15.9	0	0	0	112.3	R323 V324 P370 T371	R323-N334 WeakPolarHBondContact CA-O 3.39Å; V324-N334 HydrophobicContact CB-CB 3.94Å; V324-N334 HydrophobicContact CG2-CB 4.05Å; V324-N334 PolarHBondContact N-O 2.88Å; V324-N334 PolarHBondContact O-N 2.71Å; N334-P370 WeakPolarHBondContact CB-O 3.2Å; N334-P370 PolarHBondContact ND2-O 2.97Å; N334-T371 PolarHBondContact ND2-O 2.81Å
335	T	96.9	Very high	96.1	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	108.5	174.1	-64.7	0	0	0	0	109.6	T321 V322 R323 I337	T321-T335 HydrophobicContact CG2-CG2 4.25Å; V322-T335 CarbonylContact O-C 3.54Å; R323-T335 HydrophobicContact CG-CG2 4.12Å; T335-I337 HydrophobicContact CG2-CG1 4.28Å
336	L	96.9	Very high	96.1	Very high	18 Å²	18	52 Å²	52	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.2	-178.7	-49.7	177.6	0	0	0	109.8	T321 V322 M353 W365 I373	T321-L336 WeakPolarHBondContact CA-O 3.42Å; V322-L336 HydrophobicContact CB-CB 4.3Å; V322-L336 HydrophobicContact CB-CD1 4.48Å; V322-L336 HydrophobicContact CG1-CD1 4.49Å; V322-L336 PolarHBondContact N-O 3.04Å; V322-L336 VanDerWaalsContact N-O 3.09Å; V322-L336 PolarHBondContact O-N 2.94Å; L336-M353 HydrophobicContact CD1-CE 3.53Å; L336-W365 HydrophobicContact CB-CH2 4.21Å; L336-W365 HydrophobicContact CD1-CD2 4.42Å; L336-W365 HydrophobicContact CD1-CE3 4.25Å; L336-W365 HydrophobicContact CD1-CH2 4.42Å; L336-W365 HydrophobicContact CD1-CZ3 4.25Å; L336-I373 HydrophobicContact CD1-CB 4.48Å; L336-I373 HydrophobicContact CD1-CD1 4.3Å; L336-I373 HydrophobicContact CD1-CG2 3.95Å; L336-I373 HydrophobicContact CD2-CB 4.22Å; L336-I373 HydrophobicContact CD2-CG2 4.45Å
337	I	96.6	Very high	96.2	Very high	136 Å²	136	52.7 Å²	52.7	70%	0.697	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	110	-180	-53.8	178.3	0	0	0	107.3	T321 T335	T321-I337 HydrophobicContact CG2-CG1 4.26Å; T335-I337 HydrophobicContact CG2-CG1 4.28Å
338	H	97.1	Very high	96.4	Very high	62 Å²	62	52.1 Å²	52.1	29%	0.287	28%	0.276	S	S	.	.			trans	-158.5	-45.8	-176.3	175.5	66.8	0	0	0	113.2	W365 L375 V378	H338-W365 HydrophobicContact CB-CH2 3.62Å; H338-W365 HydrophobicContact CB-CZ2 4.01Å; H338-L375 WeakPolarHBondContact CE1-CD2 3.46Å; H338-V378 WeakPolarHBondContact NE2-CG2 3.45Å
339	H	97	Very high	96.6	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.037	26%	0.263	C	S	.	.			trans	-66.5	142.7	174.9	-77	-59.1	0	0	0	110.7	S320 V343 T355 S357 D359 S361	S320-H339 WeakPolarHBondContact CB-O 3.47Å; S320-H339 PolarHBondContact OG-O 2.76Å; H339-V343 HydrophobicContact CB-CG2 4.11Å; H339-T355 PolarHBondContact NE2-OG1 2.85Å; H339-S357 VanDerWaalsContact ND1-CB 3.27Å; H339-S357 WeakPolarHBondContact ND1-CB 2.76Å; H339-D359 WeakPolarHBondContact CA-OD2 3.33Å; H339-D359 IonicContact CG-OD2 2.78Å; H339-D359 IonicContact ND1-OD1 3.06Å; H339-D359 IonicContact ND1-OD2 2.56Å; H339-D359 PolarHBondContact ND1-OD2 2.91Å; H339-D359 VanDerWaalsContact ND1-OD2 3.09Å; H339-S361 PolarHBondContact CE1-OG 2.89Å; H339-S361 VanDerWaalsContact CE1-OG 3.24Å; H339-S361 PolarHBondContact ND1-OG 3.47Å; H339-S361 VanDerWaalsContact ND1-OG 3.17Å
340	N	96.3	Very high	96.6	Very high	143 Å²	143	52.8 Å²	52.8	77%	0.765	28%	0.279	S	S	*	.	S	Bend	trans	-93.6	-8.9	-177.8	-66.7	-82.7	0	0	0	112.6	D359	N340-D359 HydrophobicContact CB-CB 4.4Å; N340-D359 PolarHBondContact N-OD2 3.02Å
341	E	98.3	Very high	96.6	Very high	75 Å²	75	54.2 Å²	54.2	35%	0.35	29%	0.293	S	S	.	.	S	Bend	trans	-141.7	171.2	174.7	-61.1	-166.1	-134.6	0	0	110.9	S320 V343 S357 K358 D359	S320-E341 VanDerWaalsContact CB-C 3.49Å; S320-E341 WeakPolarHBondContact CB-O 3.45Å; E341-V343 PolarHBondContact O-N 3.05Å; E341-S357 PolarHBondContact O-OG 3.02Å; E341-K358 HydrophobicContact CB-CB 3.9Å; E341-K358 HydrophobicContact CB-CG 4.49Å; E341-K358 VanDerWaalsContact OE2-CD 3.3Å; E341-K358 WeakPolarHBondContact OE2-CD 3.27Å; E341-K358 WeakPolarHBondContact OE2-CE 3.45Å; E341-K358 VanDerWaalsContact OE2-CG 3.27Å; E341-K358 WeakPolarHBondContact OE2-CG 3.44Å; E341-K358 IonicContact OE2-NZ 3.19Å; E341-K358 PolarHBondContact OE2-NZ 3.18Å; E341-D359 HydrophobicContact CB-CB 4.07Å; E341-D359 HydrophobicContact CG-CB 4.11Å
342	A	98.2	Very high	96.7	Very high	15 Å²	15	48.7 Å²	48.7	12%	0.124	27%	0.268	C	S	.	.			trans	-36.7	125.6	177.3	0	0	0	0	0	114.7	L304 L344 S357 K358	L304-A342 HydrophobicContact CD1-CB 4.01Å; A342-L344 HydrophobicContact CB-CD2 4.13Å; A342-L344 PolarHBondContact O-N 3.22Å; A342-S357 WeakPolarHBondContact O-CA 3.27Å; A342-S357 PolarHBondContact O-OG 2.96Å; A342-S357 VanDerWaalsContact O-OG 3.09Å; A342-K358 HydrophobicContact CB-CB 4.45Å; A342-K358 PolarHBondContact O-N 2.8Å
343	V	98.6	Very high	96.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.8	175.7	-173.1	0	0	0	0	108.4	S317 V322 H339 E341	S317-V343 PolarHBondContact O-N 2.95Å; V322-V343 HydrophobicContact CG2-CB 4.36Å; V322-V343 HydrophobicContact CG2-CG1 3.96Å; V322-V343 HydrophobicContact CG2-CG2 3.91Å; H339-V343 HydrophobicContact CB-CG2 4.11Å; E341-V343 PolarHBondContact O-N 3.05Å
344	L	98.4	Very high	96.9	Very high	32 Å²	32	42.9 Å²	42.9	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-31.1	-168.3	-57.8	-174.9	0	0	0	112.8	L304 A342 C356 K358 A385 N387	L304-L344 HydrophobicContact CD1-CD2 3.74Å; A342-L344 HydrophobicContact CB-CD2 4.13Å; A342-L344 PolarHBondContact O-N 3.22Å; L344-C356 PolarHBondContact N-O 3.26Å; L344-K358 HydrophobicContact CD1-CB 4.05Å; L344-K358 HydrophobicContact CD2-CB 4.38Å; L344-K358 HydrophobicContact CG-CB 4.28Å; L344-A385 HydrophobicContact CD1-CB 4.03Å; L344-N387 WeakPolarHBondContact CD1-OD1 3.47Å
345	H	98.6	Very high	97	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	155.2	175.2	-157.4	-93.4	0	0	0	111.3	C305 C356 V389 R517	C305-H345 VanDerWaalsContact SG-CA 3.51Å; H345-C356 PolarHBondContact N-O 2.95Å; H345-C356 PolarHBondContact O-N 3.44Å; H345-V389 PolarHBondContact CE1-O 3.02Å; H345-V389 VanDerWaalsContact CE1-O 3.26Å; H345-V389 PolarHBondContact ND1-O 2.95Å; H345-R517 PolarHBondContact NE2-NH1 2.75Å
346	L	98.2	Very high	97.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.4	169.4	66.6	87.8	0	0	0	110.5	Q307 V314 V322 F348 V354 T355	Q307-L346 HydrophobicContact CB-CD1 3.97Å; V314-L346 HydrophobicContact CB-CD1 4.15Å; V314-L346 HydrophobicContact CG1-CD1 4.02Å; V314-L346 HydrophobicContact CG1-CD2 3.92Å; V322-L346 HydrophobicContact CG1-CD2 4.15Å; L346-F348 HydrophobicContact CD1-CD1 4.41Å; L346-V354 CarbonylContact C-O 3.5Å; L346-V354 VanDerWaalsContact CA-O 3.3Å; L346-V354 WeakPolarHBondContact CA-O 3.4Å; L346-T355 HydrophobicContact CB-CG2 3.98Å
347	R	98.1	Very high	97.2	Very high	80 Å²	80	38 Å²	38	30%	0.302	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142	173.3	-165.7	75.7	169.8	99.9	6.7	107.7	Q307 M353 V354 D390 F391	Q307-R347 VanDerWaalsContact CD-NH1 3.32Å; R347-M353 WeakPolarHBondContact O-CA 3.3Å; R347-V354 PolarHBondContact N-O 3.41Å; R347-V354 PolarHBondContact O-N 2.92Å; R347-D390 VanDerWaalsContact CD-OD1 3.27Å; R347-D390 WeakPolarHBondContact CD-OD1 3.45Å; R347-D390 IonicContact CZ-OD1 3.64Å; R347-D390 IonicContact NE-OD1 3.78Å; R347-D390 PolarHBondContact NE-OD1 3.16Å; R347-F391 HydrophobicContact CB-CD1 3.88Å; R347-F391 HydrophobicContact CB-CE1 3.87Å; R347-F391 HydrophobicContact CG-CD1 3.76Å; R347-F391 HydrophobicContact CG-CE1 3.76Å
348	F	96.9	Very high	97.2	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.2	167.5	74.3	-89.3	0	0	0	111.7	Q307 D309 V312 V314 L346 L352 M353 M367	Q307-F348 HydrophobicContact CB-CD1 3.96Å; Q307-F348 HydrophobicContact CB-CE1 3.73Å; Q307-F348 HydrophobicContact CG-CD1 3.98Å; Q307-F348 HydrophobicContact CG-CE1 3.66Å; Q307-F348 HydrophobicContact CG-CZ 4.37Å; Q307-F348 PolarHBondContact NE2-O 3.26Å; Q307-F348 PolarHBondContact OE1-O 3.26Å; D309-F348 HydrophobicContact CB-CE2 4.05Å; D309-F348 HydrophobicContact CB-CZ 4.1Å; V312-F348 HydrophobicContact CG2-CE2 4.23Å; V312-F348 HydrophobicContact CG2-CZ 4.04Å; V314-F348 HydrophobicContact CB-CD1 4.03Å; V314-F348 HydrophobicContact CB-CE1 3.82Å; V314-F348 HydrophobicContact CG2-CD1 3.8Å; V314-F348 HydrophobicContact CG2-CE1 3.47Å; V314-F348 VanDerWaalsContact CG2-CE1 3.47Å; V314-F348 HydrophobicContact CG2-CZ 3.99Å; L346-F348 HydrophobicContact CD1-CD1 4.41Å; F348-L352 CarbonylContact C-O 3.51Å; F348-L352 VanDerWaalsContact CA-O 3.26Å; F348-L352 WeakPolarHBondContact CA-O 3.45Å; F348-L352 WeakPolarHBondContact CB-O 3.23Å; F348-M353 HydrophobicContact CB-CB 3.8Å; F348-M353 HydrophobicContact CB-CG 4.06Å; F348-M367 HydrophobicContact CD2-SD 4.34Å
349	A	95.3	Very high	97.3	Very high	35 Å²	35	34.7 Å²	34.7	29%	0.289	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	153.2	179.1	0	0	0	0	0	109	G351 L352 F391	A349-G351 PolarHBondContact O-N 3.23Å; A349-L352 PolarHBondContact N-O 2.9Å; A349-L352 PolarHBondContact O-N 2.93Å; A349-F391 HydrophobicContact CB-CE2 4.23Å; A349-F391 HydrophobicContact CB-CZ 3.96Å
350	N	92	Very high	97.3	Very high	130 Å²	130	40.8 Å²	40.8	70%	0.695	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	30.3	168.7	-57.4	-8.4	0	0	0	115.3	L352 D393	N350-L352 VanDerWaalsContact C-N 3.28Å; N350-L352 PolarHBondContact O-N 2.83Å; N350-D393 PolarHBondContact ND2-OD1 3.09Å
351	G	92.4	Very high	97.4	Very high	42 Å²	42	34.7 Å²	34.7	43%	0.433	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	5.7	-176	0	0	0	0	0	115.1	A349 M367	A349-G351 PolarHBondContact O-N 3.23Å; G351-M367 PolarHBondContact O-N 3.15Å
352	L	96.6	Very high	97.4	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.1	173.3	-163.1	77.7	0	0	0	110.3	F348 A349 N350 V354 V364 W365 D366 F391 T410	F348-L352 CarbonylContact C-O 3.51Å; F348-L352 VanDerWaalsContact CA-O 3.26Å; F348-L352 WeakPolarHBondContact CA-O 3.45Å; F348-L352 WeakPolarHBondContact CB-O 3.23Å; A349-L352 PolarHBondContact N-O 2.9Å; A349-L352 PolarHBondContact O-N 2.93Å; N350-L352 VanDerWaalsContact C-N 3.28Å; N350-L352 PolarHBondContact O-N 2.83Å; L352-V354 HydrophobicContact CD2-CG2 4.36Å; L352-V364 HydrophobicContact CD1-CG1 3.84Å; L352-V364 HydrophobicContact CD2-CG1 4.35Å; L352-V364 HydrophobicContact CG-CG1 4.25Å; L352-W365 WeakPolarHBondContact CD1-O 3.42Å; L352-D366 WeakPolarHBondContact CD1-OD1 3.37Å; L352-F391 HydrophobicContact CB-CE2 4.14Å; L352-F391 HydrophobicContact CB-CZ 4.07Å; L352-F391 HydrophobicContact CD2-CD2 4.19Å; L352-F391 HydrophobicContact CD2-CE2 3.82Å; L352-F391 HydrophobicContact CD2-CZ 4.2Å; L352-F391 HydrophobicContact CG-CE2 4.46Å; L352-F391 HydrophobicContact CG-CZ 4.44Å; L352-T410 HydrophobicContact CD2-CG2 3.5Å
353	M	98	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.6	168.8	173.6	175.5	63.9	0	0	110.6	V314 L336 R347 F348 T355 W365 M367 I373	V314-M353 HydrophobicContact CG1-SD 3.73Å; L336-M353 HydrophobicContact CD1-CE 3.53Å; R347-M353 WeakPolarHBondContact O-CA 3.3Å; F348-M353 HydrophobicContact CB-CB 3.8Å; F348-M353 HydrophobicContact CB-CG 4.06Å; M353-T355 HydrophobicContact CE-CG2 4.35Å; M353-T355 HydrophobicContact CG-CG2 4.06Å; M353-T355 HydrophobicContact SD-CG2 4.08Å; M353-W365 HydrophobicContact CB-CB 4.23Å; M353-W365 HydrophobicContact CE-CB 4.01Å; M353-W365 HydrophobicContact CE-CD2 4.27Å; M353-W365 HydrophobicContact CE-CG 3.8Å; M353-W365 PolarHBondContact N-O 2.89Å; M353-W365 PolarHBondContact O-N 2.74Å; M353-M367 HydrophobicContact CB-CE 4.31Å; M353-M367 HydrophobicContact CE-CE 4.2Å; M353-M367 HydrophobicContact SD-CE 4Å; M353-I373 HydrophobicContact CE-CG2 4Å
354	V	98.5	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.8	175.4	-170.8	0	0	0	0	109.3	L346 R347 L352 I362 A363 V364 V389 F391 I396	L346-V354 CarbonylContact C-O 3.5Å; L346-V354 VanDerWaalsContact CA-O 3.3Å; L346-V354 WeakPolarHBondContact CA-O 3.4Å; R347-V354 PolarHBondContact N-O 3.41Å; R347-V354 PolarHBondContact O-N 2.92Å; L352-V354 HydrophobicContact CD2-CG2 4.36Å; V354-I362 HydrophobicContact CG1-CG2 3.41Å; V354-I362 VanDerWaalsContact CG1-CG2 3.41Å; V354-A363 WeakPolarHBondContact CA-O 3.38Å; V354-V364 HydrophobicContact CG1-CG2 4.39Å; V354-V364 HydrophobicContact CG2-CG1 4.45Å; V354-V364 HydrophobicContact CG2-CG2 4.45Å; V354-V389 HydrophobicContact CB-CG1 4.49Å; V354-V389 HydrophobicContact CB-CG2 4.41Å; V354-V389 HydrophobicContact CG1-CB 4.48Å; V354-V389 HydrophobicContact CG1-CG1 4.11Å; V354-V389 HydrophobicContact CG1-CG2 3.6Å; V354-F391 HydrophobicContact CB-CD1 4.1Å; V354-F391 HydrophobicContact CB-CE1 4.33Å; V354-F391 HydrophobicContact CG2-CD1 3.61Å; V354-F391 HydrophobicContact CG2-CE1 3.82Å; V354-F391 HydrophobicContact CG2-CG 4.18Å; V354-I396 HydrophobicContact CG1-CG2 4.01Å; V354-I396 HydrophobicContact CG2-CD1 4.01Å; V354-I396 HydrophobicContact CG2-CG1 4.31Å
355	T	98.6	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.9	-179.4	63.2	0	0	0	0	109.9	V322 H339 L346 M353 I362 A363 W365	V322-T355 HydrophobicContact CG2-CG2 4.06Å; H339-T355 PolarHBondContact NE2-OG1 2.85Å; L346-T355 HydrophobicContact CB-CG2 3.98Å; M353-T355 HydrophobicContact CE-CG2 4.35Å; M353-T355 HydrophobicContact CG-CG2 4.06Å; M353-T355 HydrophobicContact SD-CG2 4.08Å; T355-I362 CarbonylContact O-C 3.6Å; T355-I362 VanDerWaalsContact O-CA 3.28Å; T355-I362 WeakPolarHBondContact O-CA 3.36Å; T355-I362 WeakPolarHBondContact O-CG2 3.27Å; T355-A363 PolarHBondContact N-O 2.75Å; T355-A363 PolarHBondContact O-N 2.81Å; T355-W365 PolarHBondContact OG1-NE1 3.11Å
356	C	98.3	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.2	176.2	76.1	0	0	0	0	112.7	L344 H345 I362 V386 V389	L344-C356 PolarHBondContact N-O 3.26Å; H345-C356 PolarHBondContact N-O 2.95Å; H345-C356 PolarHBondContact O-N 3.44Å; C356-I362 HydrophobicContact CB-CG1 4.02Å; C356-V386 HydrophobicContact CB-CB 3.87Å; C356-V386 HydrophobicContact CB-CG1 3.64Å; C356-V386 PolarHBondContact SG-O 2.89Å; C356-V389 HydrophobicContact CB-CB 4.16Å; C356-V389 HydrophobicContact CB-CG1 4Å
357	S	98.4	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	162.1	-169	171.4	0	0	0	0	113.6	H339 E341 A342 D359 R360 S361 V386	H339-S357 VanDerWaalsContact ND1-CB 3.27Å; H339-S357 WeakPolarHBondContact ND1-CB 2.76Å; E341-S357 PolarHBondContact O-OG 3.02Å; A342-S357 WeakPolarHBondContact O-CA 3.27Å; A342-S357 PolarHBondContact O-OG 2.96Å; A342-S357 VanDerWaalsContact O-OG 3.09Å; S357-D359 WeakPolarHBondContact CB-OD1 3.48Å; S357-D359 PolarHBondContact O-N 3.3Å; S357-D359 VanDerWaalsContact OG-CG 3.25Å; S357-D359 PolarHBondContact OG-N 3.35Å; S357-D359 VanDerWaalsContact OG-N 3.09Å; S357-D359 PolarHBondContact OG-OD2 3.37Å; S357-R360 PolarHBondContact O-N 3.38Å; S357-S361 PolarHBondContact N-O 2.86Å; S357-V386 PolarHBondContact O-N 3.29Å; S357-V386 VanDerWaalsContact O-N 3.16Å
358	K	98.3	Very high	96.9	Very high	106 Å²	106	33 Å²	33	46%	0.461	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.8	166.4	-171.1	174.1	169	-85.4	0	112.7	E341 A342 L344 R360 A385	E341-K358 HydrophobicContact CB-CB 3.9Å; E341-K358 HydrophobicContact CB-CG 4.49Å; E341-K358 VanDerWaalsContact OE2-CD 3.3Å; E341-K358 WeakPolarHBondContact OE2-CD 3.27Å; E341-K358 WeakPolarHBondContact OE2-CE 3.45Å; E341-K358 VanDerWaalsContact OE2-CG 3.27Å; E341-K358 WeakPolarHBondContact OE2-CG 3.44Å; E341-K358 IonicContact OE2-NZ 3.19Å; E341-K358 PolarHBondContact OE2-NZ 3.18Å; A342-K358 HydrophobicContact CB-CB 4.45Å; A342-K358 PolarHBondContact O-N 2.8Å; L344-K358 HydrophobicContact CD1-CB 4.05Å; L344-K358 HydrophobicContact CD2-CB 4.38Å; L344-K358 HydrophobicContact CG-CB 4.28Å; K358-R360 PolarHBondContact O-N 2.83Å; K358-R360 VanDerWaalsContact O-N 3.07Å; K358-A385 HydrophobicContact CB-CB 4.37Å; K358-A385 HydrophobicContact CG-CB 4.09Å
359	D	97.6	Very high	96.8	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.118	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-9	176.4	68.6	22.6	0	0	0	114.4	H339 N340 E341 S357 S361	H339-D359 WeakPolarHBondContact CA-OD2 3.33Å; H339-D359 IonicContact CG-OD2 2.78Å; H339-D359 IonicContact ND1-OD1 3.06Å; H339-D359 IonicContact ND1-OD2 2.56Å; H339-D359 PolarHBondContact ND1-OD2 2.91Å; H339-D359 VanDerWaalsContact ND1-OD2 3.09Å; N340-D359 HydrophobicContact CB-CB 4.4Å; N340-D359 PolarHBondContact N-OD2 3.02Å; E341-D359 HydrophobicContact CB-CB 4.07Å; E341-D359 HydrophobicContact CG-CB 4.11Å; S357-D359 WeakPolarHBondContact CB-OD1 3.48Å; S357-D359 PolarHBondContact O-N 3.3Å; S357-D359 VanDerWaalsContact OG-CG 3.25Å; S357-D359 PolarHBondContact OG-N 3.35Å; S357-D359 VanDerWaalsContact OG-N 3.09Å; S357-D359 PolarHBondContact OG-OD2 3.37Å; D359-S361 VanDerWaalsContact OD1-CB 3.27Å; D359-S361 WeakPolarHBondContact OD1-CB 3.48Å; D359-S361 PolarHBondContact OD1-N 2.87Å; D359-S361 PolarHBondContact OD1-OG 2.95Å; D359-S361 PolarHBondContact OD2-OG 2.96Å
360	R	98.1	Very high	96.6	Very high	137 Å²	137	34.7 Å²	34.7	52%	0.517	20%	0.197	S	C	.	.	S	Bend	trans	84.9	4.7	178.4	-45.6	162.9	-73.4	-173.7	-2.4	115	S357 K358 R383	S357-R360 PolarHBondContact O-N 3.38Å; K358-R360 PolarHBondContact O-N 2.83Å; K358-R360 VanDerWaalsContact O-N 3.07Å; R360-R383 WeakPolarHBondContact CD-O 3.47Å
361	S	97.6	Very high	96.6	Very high	14 Å²	14	33 Å²	33	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	161.8	174.4	73	0	0	0	0	112.8	H339 S357 D359	H339-S361 PolarHBondContact CE1-OG 2.89Å; H339-S361 VanDerWaalsContact CE1-OG 3.24Å; H339-S361 PolarHBondContact ND1-OG 3.47Å; H339-S361 VanDerWaalsContact ND1-OG 3.17Å; S357-S361 PolarHBondContact N-O 2.86Å; D359-S361 VanDerWaalsContact OD1-CB 3.27Å; D359-S361 WeakPolarHBondContact OD1-CB 3.48Å; D359-S361 PolarHBondContact OD1-N 2.87Å; D359-S361 PolarHBondContact OD1-OG 2.95Å; D359-S361 PolarHBondContact OD2-OG 2.96Å
362	I	98.6	Very high	96.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.9	164.9	-57.8	147.9	0	0	0	105.9	V354 T355 C356 V378 L379 V386 V389 S398 W408	V354-I362 HydrophobicContact CG1-CG2 3.41Å; V354-I362 VanDerWaalsContact CG1-CG2 3.41Å; T355-I362 CarbonylContact O-C 3.6Å; T355-I362 VanDerWaalsContact O-CA 3.28Å; T355-I362 WeakPolarHBondContact O-CA 3.36Å; T355-I362 WeakPolarHBondContact O-CG2 3.27Å; C356-I362 HydrophobicContact CB-CG1 4.02Å; I362-V378 CarbonylContact O-C 3.59Å; I362-V378 WeakPolarHBondContact O-CA 3.2Å; I362-L379 HydrophobicContact CB-CB 4.14Å; I362-L379 HydrophobicContact CB-CD1 4.36Å; I362-L379 HydrophobicContact CB-CG 4.35Å; I362-L379 HydrophobicContact CD1-CB 4.41Å; I362-L379 HydrophobicContact CG2-CD1 4.13Å; I362-L379 HydrophobicContact CG2-CG 4.46Å; I362-L379 PolarHBondContact N-O 2.73Å; I362-L379 VanDerWaalsContact N-O 3.1Å; I362-L379 PolarHBondContact O-N 3.16Å; I362-V386 HydrophobicContact CD1-CG1 4.4Å; I362-V386 HydrophobicContact CG1-CG1 4.05Å; I362-V386 HydrophobicContact CG1-CG2 4.3Å; I362-V389 HydrophobicContact CG2-CG2 4.35Å; I362-S398 VanDerWaalsContact CD1-OG 3.3Å; I362-S398 WeakPolarHBondContact CD1-OG 3.19Å; I362-W408 HydrophobicContact CD1-CZ2 4.26Å
363	A	98.4	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.4	174.3	0	0	0	0	0	109.6	V354 T355 W365 L375	V354-A363 WeakPolarHBondContact CA-O 3.38Å; T355-A363 PolarHBondContact N-O 2.75Å; T355-A363 PolarHBondContact O-N 2.81Å; A363-W365 HydrophobicContact CB-CZ2 3.94Å; A363-W365 PolarHBondContact O-NE1 2.82Å; A363-L375 HydrophobicContact CB-CD1 3.74Å
364	V	98.3	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.8	175	-175.4	0	0	0	0	107.6	L352 V354 R376 R377 L379 I396	L352-V364 HydrophobicContact CD1-CG1 3.84Å; L352-V364 HydrophobicContact CD2-CG1 4.35Å; L352-V364 HydrophobicContact CG-CG1 4.25Å; V354-V364 HydrophobicContact CG1-CG2 4.39Å; V354-V364 HydrophobicContact CG2-CG1 4.45Å; V354-V364 HydrophobicContact CG2-CG2 4.45Å; V364-R376 HydrophobicContact CG1-CB 4.41Å; V364-R376 WeakPolarHBondContact O-CB 3.45Å; V364-R376 PolarHBondContact O-N 3.26Å; V364-R377 PolarHBondContact N-O 3Å; V364-R377 PolarHBondContact O-N 3.07Å; V364-L379 HydrophobicContact CG2-CD1 3.98Å; V364-L379 HydrophobicContact CG2-CD2 4.22Å; V364-L379 HydrophobicContact CG2-CG 4.03Å; V364-I396 HydrophobicContact CG1-CD1 4.48Å; V364-I396 HydrophobicContact CG2-CD1 3.79Å
365	W	98.1	Very high	96.6	Very high	14 Å²	14	42.2 Å²	42.2	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.3	-171.6	-49.8	82	0	0	0	110.2	L336 H338 L352 M353 T355 A363 I373 S374 L375	L336-W365 HydrophobicContact CB-CH2 4.21Å; L336-W365 HydrophobicContact CD1-CD2 4.42Å; L336-W365 HydrophobicContact CD1-CE3 4.25Å; L336-W365 HydrophobicContact CD1-CH2 4.42Å; L336-W365 HydrophobicContact CD1-CZ3 4.25Å; H338-W365 HydrophobicContact CB-CH2 3.62Å; H338-W365 HydrophobicContact CB-CZ2 4.01Å; L352-W365 WeakPolarHBondContact CD1-O 3.42Å; M353-W365 HydrophobicContact CB-CB 4.23Å; M353-W365 HydrophobicContact CE-CB 4.01Å; M353-W365 HydrophobicContact CE-CD2 4.27Å; M353-W365 HydrophobicContact CE-CG 3.8Å; M353-W365 PolarHBondContact N-O 2.89Å; M353-W365 PolarHBondContact O-N 2.74Å; T355-W365 PolarHBondContact OG1-NE1 3.11Å; A363-W365 HydrophobicContact CB-CZ2 3.94Å; A363-W365 PolarHBondContact O-NE1 2.82Å; W365-I373 HydrophobicContact CB-CG2 3.95Å; W365-I373 HydrophobicContact CE3-CG2 4.12Å; W365-I373 HydrophobicContact CG-CG2 4.5Å; W365-S374 CarbonylContact C-O 3.56Å; W365-S374 WeakPolarHBondContact CA-O 3.5Å; W365-L375 HydrophobicContact CD2-CD1 4.08Å; W365-L375 HydrophobicContact CE3-CB 3.97Å; W365-L375 HydrophobicContact CE3-CD1 4.13Å; W365-L375 HydrophobicContact CH2-CD1 4.24Å; W365-L375 HydrophobicContact CZ2-CD1 4.17Å; W365-L375 HydrophobicContact CZ3-CB 3.92Å; W365-L375 HydrophobicContact CZ3-CD1 4.22Å
366	D	97	Very high	96.5	Very high	53 Å²	53	47.6 Å²	47.6	28%	0.283	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120	167.8	-64.2	-49	0	0	0	107.9	L352 I373 S374 R376	L352-D366 WeakPolarHBondContact CD1-OD1 3.37Å; D366-I373 WeakPolarHBondContact O-CA 3.31Å; D366-S374 PolarHBondContact N-O 2.84Å; D366-S374 PolarHBondContact O-N 2.78Å; D366-R376 WeakPolarHBondContact OD1-CD 3.29Å; D366-R376 IonicContact OD1-CZ 3.25Å; D366-R376 IonicContact OD1-NH1 2.57Å; D366-R376 PolarHBondContact OD1-NH1 2.74Å; D366-R376 WeakPolarHBondContact OD2-CB 3.23Å; D366-R376 WeakPolarHBondContact OD2-CD 3.4Å; D366-R376 VanDerWaalsContact OD2-CG 3.25Å; D366-R376 WeakPolarHBondContact OD2-CG 3.33Å; D366-R376 IonicContact OD2-NH1 2.61Å
367	M	94.6	Very high	96.5	Very high	25 Å²	25	53 Å²	53	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	89.2	-175.9	174.7	-175.7	-79.8	0	0	108.6	V314 F348 G351 M353 I373	V314-M367 HydrophobicContact CG2-CE 4.27Å; F348-M367 HydrophobicContact CD2-SD 4.34Å; G351-M367 PolarHBondContact O-N 3.15Å; M353-M367 HydrophobicContact CB-CE 4.31Å; M353-M367 HydrophobicContact CE-CE 4.2Å; M353-M367 HydrophobicContact SD-CE 4Å; M367-I373 HydrophobicContact CB-CG1 4.34Å; M367-I373 HydrophobicContact CE-CD1 3.67Å; M367-I373 HydrophobicContact CE-CG1 4.41Å; M367-I373 HydrophobicContact CG-CD1 4.29Å; M367-I373 HydrophobicContact CG-CG1 4.07Å
368	A	93.9	Very high	96.5	Very high	85 Å²	85	55.5 Å²	55.5	70%	0.702	29%	0.291	S	S	*	.	S	Bend	trans	-75.9	-31.3	177.1	0	0	0	0	0	111.6	D372	A368-D372 HydrophobicContact CB-CB 4.48Å; A368-D372 PolarHBondContact N-O 2.73Å
369	S	93.4	Very high	96.4	Very high	40 Å²	40	50.7 Å²	50.7	28%	0.28	27%	0.27	S	S	.	.	S	Bend	trans	-154.4	174.4	171.4	72.8	0	0	0	0	110.6	T371 D372 I373	S369-T371 PolarHBondContact O-N 2.76Å; S369-T371 PolarHBondContact OG-OG1 3.1Å; S369-D372 PolarHBondContact N-O 3.48Å; S369-D372 VanDerWaalsContact N-O 3.15Å; S369-D372 CarbonylContact O-C 3.53Å; S369-D372 PolarHBondContact O-N 2.9Å; S369-D372 VanDerWaalsContact O-O 3.05Å; S369-D372 VanDerWaalsContact OG-CB 3.3Å; S369-D372 WeakPolarHBondContact OG-CB 3.27Å; S369-D372 PolarHBondContact OG-N 3.01Å; S369-I373 WeakPolarHBondContact O-CG1 3.38Å
370	P	91.8	Very high	96.4	Very high	43 Å²	43	55 Å²	55	28%	0.279	30%	0.297	S	S	.	.	S	Bend	trans	-57.8	-31.6	175.8	-29	38.5	0	0	0	114.4	V312 V324 L333 N334	V312-P370 HydrophobicContact CG1-CB 3.79Å; V312-P370 HydrophobicContact CG1-CG 3.6Å; V324-P370 HydrophobicContact CG1-CB 4.1Å; L333-P370 HydrophobicContact CB-CB 4.36Å; L333-P370 HydrophobicContact CD1-CB 3.6Å; L333-P370 HydrophobicContact CD1-CG 4.28Å; N334-P370 WeakPolarHBondContact CB-O 3.2Å; N334-P370 PolarHBondContact ND2-O 2.97Å
371	T	92.9	Very high	96.2	Very high	95 Å²	95	50.3 Å²	50.3	58%	0.583	29%	0.291	S	S	*	.	S	Bend	trans	-95.7	-30.3	-179.3	49.2	0	0	0	0	112.7	N334 S369	N334-T371 PolarHBondContact ND2-O 2.81Å; S369-T371 PolarHBondContact O-N 2.76Å; S369-T371 PolarHBondContact OG-OG1 3.1Å
372	D	94.3	Very high	96.2	Very high	96 Å²	96	50.2 Å²	50.2	51%	0.513	29%	0.289	S	S	.	.			trans	-99.6	94.6	177.1	-172	20.9	0	0	0	111.4	A368 S369	A368-D372 HydrophobicContact CB-CB 4.48Å; A368-D372 PolarHBondContact N-O 2.73Å; S369-D372 PolarHBondContact N-O 3.48Å; S369-D372 VanDerWaalsContact N-O 3.15Å; S369-D372 CarbonylContact O-C 3.53Å; S369-D372 PolarHBondContact O-N 2.9Å; S369-D372 VanDerWaalsContact O-O 3.05Å; S369-D372 VanDerWaalsContact OG-CB 3.3Å; S369-D372 WeakPolarHBondContact OG-CB 3.27Å; S369-D372 PolarHBondContact OG-N 3.01Å
373	I	96.8	Very high	96.2	Very high	20 Å²	20	60.6 Å²	60.6	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.8	179.9	-53.5	177.2	0	0	0	108.3	V324 L336 M353 W365 D366 M367 S369	V324-I373 HydrophobicContact CG2-CD1 3.71Å; L336-I373 HydrophobicContact CD1-CB 4.48Å; L336-I373 HydrophobicContact CD1-CD1 4.3Å; L336-I373 HydrophobicContact CD1-CG2 3.95Å; L336-I373 HydrophobicContact CD2-CB 4.22Å; L336-I373 HydrophobicContact CD2-CG2 4.45Å; M353-I373 HydrophobicContact CE-CG2 4Å; W365-I373 HydrophobicContact CB-CG2 3.95Å; W365-I373 HydrophobicContact CE3-CG2 4.12Å; W365-I373 HydrophobicContact CG-CG2 4.5Å; D366-I373 WeakPolarHBondContact O-CA 3.31Å; M367-I373 HydrophobicContact CB-CG1 4.34Å; M367-I373 HydrophobicContact CE-CD1 3.67Å; M367-I373 HydrophobicContact CE-CG1 4.41Å; M367-I373 HydrophobicContact CG-CD1 4.29Å; M367-I373 HydrophobicContact CG-CG1 4.07Å; S369-I373 WeakPolarHBondContact O-CG1 3.38Å
374	S	96.9	Very high	96.2	Very high	61 Å²	61	62.2 Å²	62.2	43%	0.427	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.8	-176.1	69	0	0	0	0	112.1	W365 D366 R376	W365-S374 CarbonylContact C-O 3.56Å; W365-S374 WeakPolarHBondContact CA-O 3.5Å; D366-S374 PolarHBondContact N-O 2.84Å; D366-S374 PolarHBondContact O-N 2.78Å; S374-R376 PolarHBondContact O-N 2.91Å
375	L	97.4	Very high	96.2	Very high	74 Å²	74	63.3 Å²	63.3	39%	0.387	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	109.1	179	179.9	68.4	0	0	0	110.3	H338 A363 W365 V378	H338-L375 WeakPolarHBondContact CE1-CD2 3.46Å; A363-L375 HydrophobicContact CB-CD1 3.74Å; W365-L375 HydrophobicContact CD2-CD1 4.08Å; W365-L375 HydrophobicContact CE3-CB 3.97Å; W365-L375 HydrophobicContact CE3-CD1 4.13Å; W365-L375 HydrophobicContact CH2-CD1 4.24Å; W365-L375 HydrophobicContact CZ2-CD1 4.17Å; W365-L375 HydrophobicContact CZ3-CB 3.92Å; W365-L375 HydrophobicContact CZ3-CD1 4.22Å; L375-V378 HydrophobicContact CD1-CG2 4.33Å; L375-V378 HydrophobicContact CD2-CG2 4.03Å
376	R	96.3	Very high	96.2	Very high	113 Å²	113	62.6 Å²	62.6	43%	0.426	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-49.1	-178.9	-174.1	-169.7	-179.7	120.2	-9	112.5	V364 D366 S374 S411	V364-R376 HydrophobicContact CG1-CB 4.41Å; V364-R376 WeakPolarHBondContact O-CB 3.45Å; V364-R376 PolarHBondContact O-N 3.26Å; D366-R376 WeakPolarHBondContact OD1-CD 3.29Å; D366-R376 IonicContact OD1-CZ 3.25Å; D366-R376 IonicContact OD1-NH1 2.57Å; D366-R376 PolarHBondContact OD1-NH1 2.74Å; D366-R376 WeakPolarHBondContact OD2-CB 3.23Å; D366-R376 WeakPolarHBondContact OD2-CD 3.4Å; D366-R376 VanDerWaalsContact OD2-CG 3.25Å; D366-R376 WeakPolarHBondContact OD2-CG 3.33Å; D366-R376 IonicContact OD2-NH1 2.61Å; S374-R376 PolarHBondContact O-N 2.91Å; R376-S411 PolarHBondContact NH2-O 2.94Å
377	R	97.4	Very high	96.3	Very high	113 Å²	113	62.2 Å²	62.2	43%	0.426	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	148.4	177.5	-164.2	176.5	-66.9	179.5	0.1	111.8	V364 L379 T412 C413	V364-R377 PolarHBondContact N-O 3Å; V364-R377 PolarHBondContact O-N 3.07Å; R377-L379 HydrophobicContact CB-CD2 4.38Å; R377-L379 HydrophobicContact CG-CD2 4.14Å; R377-T412 PolarHBondContact NH1-O 2.84Å; R377-T412 PolarHBondContact NH2-O 3.08Å; R377-T412 VanDerWaalsContact NH2-O 3.1Å; R377-C413 HydrophobicContact CB-CB 4.31Å; R377-C413 VanDerWaalsContact NH1-C 3.29Å; R377-C413 PolarHBondContact NH1-O 2.98Å
378	V	97.9	Very high	96.4	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.327	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.9	163.6	-171.2	0	0	0	0	109.2	H338 I362 L375 V380	H338-V378 WeakPolarHBondContact NE2-CG2 3.45Å; I362-V378 CarbonylContact O-C 3.59Å; I362-V378 WeakPolarHBondContact O-CA 3.2Å; L375-V378 HydrophobicContact CD1-CG2 4.33Å; L375-V378 HydrophobicContact CD2-CG2 4.03Å; V378-V380 HydrophobicContact CG1-CG2 4.02Å
379	L	97.8	Very high	96.6	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	173.7	-35.3	178.5	0	0	0	108.8	I362 V364 R377 I396 W408 C413	I362-L379 HydrophobicContact CB-CB 4.14Å; I362-L379 HydrophobicContact CB-CD1 4.36Å; I362-L379 HydrophobicContact CB-CG 4.35Å; I362-L379 HydrophobicContact CD1-CB 4.41Å; I362-L379 HydrophobicContact CG2-CD1 4.13Å; I362-L379 HydrophobicContact CG2-CG 4.46Å; I362-L379 PolarHBondContact N-O 2.73Å; I362-L379 VanDerWaalsContact N-O 3.1Å; I362-L379 PolarHBondContact O-N 3.16Å; V364-L379 HydrophobicContact CG2-CD1 3.98Å; V364-L379 HydrophobicContact CG2-CD2 4.22Å; V364-L379 HydrophobicContact CG2-CG 4.03Å; R377-L379 HydrophobicContact CB-CD2 4.38Å; R377-L379 HydrophobicContact CG-CD2 4.14Å; L379-I396 HydrophobicContact CD1-CD1 4.42Å; L379-W408 HydrophobicContact CB-CD2 4.35Å; L379-W408 HydrophobicContact CB-CE3 4.22Å; L379-W408 HydrophobicContact CB-CH2 4.2Å; L379-W408 HydrophobicContact CB-CZ2 4.31Å; L379-W408 HydrophobicContact CB-CZ3 4.14Å; L379-W408 HydrophobicContact CD1-CB 4.18Å; L379-W408 HydrophobicContact CD1-CD2 3.9Å; L379-W408 HydrophobicContact CD1-CE3 4.3Å; L379-W408 HydrophobicContact CD1-CG 3.83Å; L379-C413 HydrophobicContact CD2-CB 3.92Å
380	V	96.1	Very high	96.9	Very high	113 Å²	113	55.4 Å²	55.4	69%	0.685	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	-179.6	-176.4	0	0	0	0	108.8	V378	V378-V380 HydrophobicContact CG1-CG2 4.02Å
381	G	94.9	Very high	97.2	Very high	38 Å²	38	54.1 Å²	54.1	39%	0.392	29%	0.285	S	S	.	.			trans	163	-15	179	0	0	0	0	0	115.4	K406	G381-K406 VanDerWaalsContact O-CE 3.29Å; G381-K406 WeakPolarHBondContact O-CE 3.35Å
382	H	98	Very high	97.4	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.051	27%	0.269	C	S	.	.			trans	-73.4	148.1	166.2	-81.6	-64.3	0	0	0	111.3	V386 S398 S400 D402 T404	H382-V386 HydrophobicContact CB-CG2 3.79Å; H382-S398 PolarHBondContact NE2-O 2.8Å; H382-S398 PolarHBondContact NE2-OG 3.26Å; H382-S400 WeakPolarHBondContact ND1-CB 3.41Å; H382-D402 VanDerWaalsContact CA-OD2 3.23Å; H382-D402 WeakPolarHBondContact CA-OD2 3.28Å; H382-D402 WeakPolarHBondContact CB-OD2 3.12Å; H382-D402 IonicContact CE1-OD1 3.6Å; H382-D402 IonicContact CG-OD2 2.88Å; H382-D402 IonicContact ND1-OD1 3.64Å; H382-D402 PolarHBondContact ND1-OD1 3Å; H382-D402 IonicContact ND1-OD2 3.89Å; H382-D402 PolarHBondContact ND1-OD2 3.43Å; H382-T404 PolarHBondContact CE1-OG1 3.44Å; H382-T404 PolarHBondContact ND1-OG1 2.93Å
383	R	97.5	Very high	97.4	Very high	219 Å²	219	52.8 Å²	52.8	83%	0.826	28%	0.275	S	S	*	.	S	Bend	trans	-97.2	-15.4	-176.6	-62.5	-175.4	177.5	-168.8	-1.3	113.5	R360 D402	R360-R383 WeakPolarHBondContact CD-O 3.47Å; R383-D402 HydrophobicContact CB-CB 4.01Å; R383-D402 PolarHBondContact N-OD2 3.48Å
384	A	98.3	Very high	97.4	Very high	34 Å²	34	56.5 Å²	56.5	28%	0.281	29%	0.29	S	S	.	.	S	Bend	trans	-141.6	173.3	176.1	0	0	0	0	0	110.5	V386 S400 D402	A384-V386 PolarHBondContact O-N 2.95Å; A384-S400 VanDerWaalsContact C-OG 3.31Å; A384-S400 PolarHBondContact O-OG 2.74Å; A384-D402 HydrophobicContact CB-CB 4.14Å
385	A	98.1	Very high	97.5	Very high	23 Å²	23	54.6 Å²	54.6	19%	0.19	27%	0.274	C	S	.	.			trans	-42.4	132.5	-175.8	0	0	0	0	0	113.1	L344 K358 N387 S400 G401	L344-A385 HydrophobicContact CD1-CB 4.03Å; K358-A385 HydrophobicContact CB-CB 4.37Å; K358-A385 HydrophobicContact CG-CB 4.09Å; A385-N387 PolarHBondContact O-N 2.96Å; A385-S400 VanDerWaalsContact O-CA 3.27Å; A385-S400 WeakPolarHBondContact O-CA 3.3Å; A385-S400 WeakPolarHBondContact O-CB 3.33Å; A385-S400 PolarHBondContact O-OG 2.94Å; A385-G401 PolarHBondContact O-N 3.08Å
386	V	98.6	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	105.5	177.5	-171.9	0	0	0	0	107.5	C356 S357 I362 H382 A384	C356-V386 HydrophobicContact CB-CB 3.87Å; C356-V386 HydrophobicContact CB-CG1 3.64Å; C356-V386 PolarHBondContact SG-O 2.89Å; S357-V386 PolarHBondContact O-N 3.29Å; S357-V386 VanDerWaalsContact O-N 3.16Å; I362-V386 HydrophobicContact CD1-CG1 4.4Å; I362-V386 HydrophobicContact CG1-CG1 4.05Å; I362-V386 HydrophobicContact CG1-CG2 4.3Å; H382-V386 HydrophobicContact CB-CG2 3.79Å; A384-V386 PolarHBondContact O-N 2.95Å
387	N	98.4	Very high	97.6	Very high	45 Å²	45	45.7 Å²	45.7	24%	0.241	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-19.8	-166.8	-64.4	-36	0	0	0	113.1	L344 A385 A399 G401 I426	L344-N387 WeakPolarHBondContact CD1-OD1 3.47Å; A385-N387 PolarHBondContact O-N 2.96Å; N387-A399 PolarHBondContact N-O 2.91Å; N387-G401 PolarHBondContact ND2-N 2.84Å; N387-I426 PolarHBondContact ND2-O 2.85Å
388	V	98.4	Very high	97.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	143.8	-177.5	59.2	0	0	0	0	110.6	A399 L429	V388-A399 HydrophobicContact CG1-CB 3.79Å; V388-A399 PolarHBondContact N-O 2.62Å; V388-A399 PolarHBondContact O-N 3.47Å; V388-L429 HydrophobicContact CB-CB 4.36Å; V388-L429 HydrophobicContact CG1-CB 3.51Å; V388-L429 HydrophobicContact CG2-CB 3.9Å
389	V	98.4	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.5	170.9	68.1	0	0	0	0	109.6	H345 V354 C356 I362 I396 V397	H345-V389 PolarHBondContact CE1-O 3.02Å; H345-V389 VanDerWaalsContact CE1-O 3.26Å; H345-V389 PolarHBondContact ND1-O 2.95Å; V354-V389 HydrophobicContact CB-CG1 4.49Å; V354-V389 HydrophobicContact CB-CG2 4.41Å; V354-V389 HydrophobicContact CG1-CB 4.48Å; V354-V389 HydrophobicContact CG1-CG1 4.11Å; V354-V389 HydrophobicContact CG1-CG2 3.6Å; C356-V389 HydrophobicContact CB-CB 4.16Å; C356-V389 HydrophobicContact CB-CG1 4Å; I362-V389 HydrophobicContact CG2-CG2 4.35Å; V389-I396 HydrophobicContact CG2-CG2 3.74Å; V389-V397 WeakPolarHBondContact CA-O 3.48Å
390	D	98.4	Very high	97.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.3	177.9	-150.2	-2	0	0	0	107.8	R347 V397 L429 Q430 Y431	R347-D390 VanDerWaalsContact CD-OD1 3.27Å; R347-D390 WeakPolarHBondContact CD-OD1 3.45Å; R347-D390 IonicContact CZ-OD1 3.64Å; R347-D390 IonicContact NE-OD1 3.78Å; R347-D390 PolarHBondContact NE-OD1 3.16Å; D390-V397 PolarHBondContact N-O 3.39Å; D390-V397 PolarHBondContact O-N 3.05Å; D390-L429 HydrophobicContact CB-CD2 3.96Å; D390-Q430 WeakPolarHBondContact OD2-CA 3.44Å; D390-Y431 PolarHBondContact OD2-N 3.43Å
391	F	97.9	Very high	97.9	Very high	16 Å²	16	33.5 Å²	33.5	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.4	-178.6	75.4	-89.3	0	0	0	113.7	R347 A349 L352 V354 Y395 I396 T410	R347-F391 HydrophobicContact CB-CD1 3.88Å; R347-F391 HydrophobicContact CB-CE1 3.87Å; R347-F391 HydrophobicContact CG-CD1 3.76Å; R347-F391 HydrophobicContact CG-CE1 3.76Å; A349-F391 HydrophobicContact CB-CE2 4.23Å; A349-F391 HydrophobicContact CB-CZ 3.96Å; L352-F391 HydrophobicContact CB-CE2 4.14Å; L352-F391 HydrophobicContact CB-CZ 4.07Å; L352-F391 HydrophobicContact CD2-CD2 4.19Å; L352-F391 HydrophobicContact CD2-CE2 3.82Å; L352-F391 HydrophobicContact CD2-CZ 4.2Å; L352-F391 HydrophobicContact CG-CE2 4.46Å; L352-F391 HydrophobicContact CG-CZ 4.44Å; V354-F391 HydrophobicContact CB-CD1 4.1Å; V354-F391 HydrophobicContact CB-CE1 4.33Å; V354-F391 HydrophobicContact CG2-CD1 3.61Å; V354-F391 HydrophobicContact CG2-CE1 3.82Å; V354-F391 HydrophobicContact CG2-CG 4.18Å; F391-Y395 VanDerWaalsContact CA-O 3.27Å; F391-Y395 WeakPolarHBondContact CA-O 3.43Å; F391-Y395 WeakPolarHBondContact CB-O 3.28Å; F391-I396 HydrophobicContact CB-CB 4.25Å; F391-I396 HydrophobicContact CB-CG1 3.87Å; F391-I396 HydrophobicContact CB-CG2 4.5Å; F391-T410 HydrophobicContact CD2-CG2 4.39Å
392	D	96.8	Very high	98	Very high	46 Å²	46	33.2 Å²	33.2	25%	0.246	17%	0.169	C	C	.	.			trans	-127.8	-174.4	161.7	70.2	10.9	0	0	0	110.2	K394 Y395 T410 Y431	D392-K394 PolarHBondContact O-N 3.49Å; D392-K394 WeakPolarHBondContact OD1-CA 3.28Å; D392-K394 WeakPolarHBondContact OD1-CB 3.37Å; D392-K394 PolarHBondContact OD1-N 2.97Å; D392-Y395 PolarHBondContact N-O 3.3Å; D392-Y395 PolarHBondContact OD1-N 2.92Å; D392-T410 WeakPolarHBondContact O-CB 3.43Å; D392-T410 WeakPolarHBondContact O-CG2 3.19Å; D392-T410 PolarHBondContact O-OG1 2.83Å; D392-Y431 HydrophobicContact CB-CE1 4.04Å; D392-Y431 VanDerWaalsContact OD2-CE1 3.27Å; D392-Y431 WeakPolarHBondContact OD2-CE1 3.46Å; D392-Y431 PolarHBondContact OD2-OH 2.58Å
393	D	95.1	Very high	98	Very high	117 Å²	117	39.4 Å²	39.4	63%	0.626	19%	0.192	S	C	*	.	S	Bend	trans	-63.2	-12.1	-179	-52.5	-56.9	0	0	0	113.9	N350	N350-D393 PolarHBondContact ND2-OD1 3.09Å
394	K	96.7	Very high	98.1	Very high	98 Å²	98	29.9 Å²	29.9	43%	0.426	16%	0.158	S	C	.	.	S	Bend	trans	-106.8	-47.9	-177.3	-172.3	-177.4	-179.8	-171.8	0	112.9	D392 T410 E451	D392-K394 PolarHBondContact O-N 3.49Å; D392-K394 WeakPolarHBondContact OD1-CA 3.28Å; D392-K394 WeakPolarHBondContact OD1-CB 3.37Å; D392-K394 PolarHBondContact OD1-N 2.97Å; K394-T410 VanDerWaalsContact C-OG1 3.23Å; K394-T410 PolarHBondContact O-N 3.14Å; K394-E451 VanDerWaalsContact NZ-CD 3.29Å; K394-E451 IonicContact NZ-OE1 3.2Å; K394-E451 PolarHBondContact NZ-OE1 2.94Å; K394-E451 IonicContact NZ-OE2 2.73Å; K394-E451 PolarHBondContact NZ-OE2 3.15Å
395	Y	98.4	Very high	98.1	Very high	20 Å²	20	28.3 Å²	28.3	8%	0.078	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.7	-173	-65.3	-49.1	0	0	0	114.2	F391 D392 V407 W408 T410 V416 R417 I450 E451	F391-Y395 VanDerWaalsContact CA-O 3.27Å; F391-Y395 WeakPolarHBondContact CA-O 3.43Å; F391-Y395 WeakPolarHBondContact CB-O 3.28Å; D392-Y395 PolarHBondContact N-O 3.3Å; D392-Y395 PolarHBondContact OD1-N 2.92Å; Y395-V407 HydrophobicContact CD1-CG1 3.63Å; Y395-V407 HydrophobicContact CD2-CG1 4.33Å; Y395-V407 HydrophobicContact CE1-CG1 4.14Å; Y395-V407 HydrophobicContact CG-CG1 3.75Å; Y395-W408 CarbonylContact C-O 3.54Å; Y395-W408 VanDerWaalsContact CA-O 3.28Å; Y395-W408 WeakPolarHBondContact CA-O 3.37Å; Y395-T410 WeakPolarHBondContact CA-OG1 3.5Å; Y395-T410 PolarHBondContact N-OG1 2.97Å; Y395-V416 HydrophobicContact CD1-CG2 4.38Å; Y395-V416 HydrophobicContact CE1-CB 4.47Å; Y395-V416 HydrophobicContact CE1-CG1 4.08Å; Y395-V416 HydrophobicContact CE1-CG2 4.03Å; Y395-R417 PolarHBondContact OH-NH1 3.13Å; Y395-I450 HydrophobicContact CD2-CD1 4.47Å; Y395-I450 HydrophobicContact CD2-CG1 3.56Å; Y395-I450 HydrophobicContact CD2-CG2 4.42Å; Y395-I450 HydrophobicContact CE2-CG1 3.94Å; Y395-I450 HydrophobicContact CE2-CG2 4.36Å; Y395-I450 HydrophobicContact CG-CG1 4.36Å; Y395-E451 PolarHBondContact OH-OE2 3.25Å
396	I	98.6	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.9	161	-58.7	170.2	0	0	0	107.7	V354 V364 L379 V389 F391 V407 W408 T410	V354-I396 HydrophobicContact CG1-CG2 4.01Å; V354-I396 HydrophobicContact CG2-CD1 4.01Å; V354-I396 HydrophobicContact CG2-CG1 4.31Å; V364-I396 HydrophobicContact CG1-CD1 4.48Å; V364-I396 HydrophobicContact CG2-CD1 3.79Å; L379-I396 HydrophobicContact CD1-CD1 4.42Å; V389-I396 HydrophobicContact CG2-CG2 3.74Å; F391-I396 HydrophobicContact CB-CB 4.25Å; F391-I396 HydrophobicContact CB-CG1 3.87Å; F391-I396 HydrophobicContact CB-CG2 4.5Å; I396-V407 WeakPolarHBondContact O-CA 3.34Å; I396-W408 HydrophobicContact CB-CB 4.33Å; I396-W408 PolarHBondContact N-O 2.93Å; I396-W408 PolarHBondContact O-N 3.17Å; I396-T410 HydrophobicContact CG1-CG2 4.34Å; I396-T410 PolarHBondContact N-OG1 3.12Å
397	V	98.7	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.4	-177	-175.7	0	0	0	0	109.7	V389 D390 I405 K406 L429 Y431 V436 I450	V389-V397 WeakPolarHBondContact CA-O 3.48Å; D390-V397 PolarHBondContact N-O 3.39Å; D390-V397 PolarHBondContact O-N 3.05Å; V397-I405 HydrophobicContact CG1-CG2 3.48Å; V397-I405 VanDerWaalsContact CG1-CG2 3.48Å; V397-K406 WeakPolarHBondContact CA-O 3.25Å; V397-L429 HydrophobicContact CB-CD2 4.39Å; V397-L429 HydrophobicContact CG1-CD1 3.84Å; V397-L429 HydrophobicContact CG1-CD2 3.93Å; V397-Y431 HydrophobicContact CB-CD1 4.32Å; V397-Y431 HydrophobicContact CB-CG 4.28Å; V397-Y431 HydrophobicContact CG2-CD1 3.56Å; V397-Y431 HydrophobicContact CG2-CD2 4.13Å; V397-Y431 HydrophobicContact CG2-CE1 3.99Å; V397-Y431 HydrophobicContact CG2-CG 3.65Å; V397-V436 HydrophobicContact CG1-CG1 4.34Å; V397-V436 HydrophobicContact CG1-CG2 4.11Å; V397-I450 HydrophobicContact CG2-CD1 3.74Å
398	S	98.6	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.9	-176.4	62.9	0	0	0	0	111.9	I362 H382 I405 K406 W408	I362-S398 VanDerWaalsContact CD1-OG 3.3Å; I362-S398 WeakPolarHBondContact CD1-OG 3.19Å; H382-S398 PolarHBondContact NE2-O 2.8Å; H382-S398 PolarHBondContact NE2-OG 3.26Å; S398-I405 CarbonylContact O-C 3.57Å; S398-I405 VanDerWaalsContact O-CA 3.28Å; S398-I405 WeakPolarHBondContact O-CA 3.26Å; S398-I405 WeakPolarHBondContact O-CG2 3.43Å; S398-K406 PolarHBondContact N-O 3.3Å; S398-K406 PolarHBondContact O-N 3.19Å; S398-K406 PolarHBondContact OG-O 2.85Å; S398-W408 PolarHBondContact OG-NE1 3.03Å
399	A	98.6	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145	177.3	0	0	0	0	0	113.2	N387 V388 I405 I426 L429	N387-A399 PolarHBondContact N-O 2.91Å; V388-A399 HydrophobicContact CG1-CB 3.79Å; V388-A399 PolarHBondContact N-O 2.62Å; V388-A399 PolarHBondContact O-N 3.47Å; A399-I405 HydrophobicContact CB-CG1 4.07Å; A399-I405 HydrophobicContact CB-CG2 4.47Å; A399-I426 HydrophobicContact CB-CB 3.95Å; A399-I426 HydrophobicContact CB-CD1 4.17Å; A399-I426 HydrophobicContact CB-CG2 3.71Å; A399-L429 HydrophobicContact CB-CD1 3.81Å
400	S	98.6	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.4	-162.5	169.7	0	0	0	0	113.8	H382 A384 A385 D402 R403 T404 I426	H382-S400 WeakPolarHBondContact ND1-CB 3.41Å; A384-S400 VanDerWaalsContact C-OG 3.31Å; A384-S400 PolarHBondContact O-OG 2.74Å; A385-S400 VanDerWaalsContact O-CA 3.27Å; A385-S400 WeakPolarHBondContact O-CA 3.3Å; A385-S400 WeakPolarHBondContact O-CB 3.33Å; A385-S400 PolarHBondContact O-OG 2.94Å; S400-D402 WeakPolarHBondContact CB-OD1 3.4Å; S400-D402 PolarHBondContact O-N 3.19Å; S400-D402 VanDerWaalsContact O-N 3.16Å; S400-D402 VanDerWaalsContact OG-CG 3.27Å; S400-D402 PolarHBondContact OG-N 2.95Å; S400-D402 PolarHBondContact OG-OD1 3.01Å; S400-R403 PolarHBondContact O-N 2.88Å; S400-T404 PolarHBondContact N-O 3.37Å; S400-I426 PolarHBondContact O-N 3.44Å
401	G	98.3	Very high	97.9	Very high	29 Å²	29	32 Å²	32	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.2	162.5	0	0	0	0	0	114.1	A385 N387 R403 G425	A385-G401 PolarHBondContact O-N 3.08Å; N387-G401 PolarHBondContact ND2-N 2.84Å; G401-R403 PolarHBondContact O-N 3.48Å; G401-G425 WeakPolarHBondContact O-CA 3.25Å
402	D	98.1	Very high	97.8	Very high	32 Å²	32	34 Å²	34	17%	0.171	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	5.5	175.5	75.8	14.8	0	0	0	114.7	H382 R383 A384 S400 T404	H382-D402 VanDerWaalsContact CA-OD2 3.23Å; H382-D402 WeakPolarHBondContact CA-OD2 3.28Å; H382-D402 WeakPolarHBondContact CB-OD2 3.12Å; H382-D402 IonicContact CE1-OD1 3.6Å; H382-D402 IonicContact CG-OD2 2.88Å; H382-D402 IonicContact ND1-OD1 3.64Å; H382-D402 PolarHBondContact ND1-OD1 3Å; H382-D402 IonicContact ND1-OD2 3.89Å; H382-D402 PolarHBondContact ND1-OD2 3.43Å; R383-D402 HydrophobicContact CB-CB 4.01Å; R383-D402 PolarHBondContact N-OD2 3.48Å; A384-D402 HydrophobicContact CB-CB 4.14Å; S400-D402 WeakPolarHBondContact CB-OD1 3.4Å; S400-D402 PolarHBondContact O-N 3.19Å; S400-D402 VanDerWaalsContact O-N 3.16Å; S400-D402 VanDerWaalsContact OG-CG 3.27Å; S400-D402 PolarHBondContact OG-N 2.95Å; S400-D402 PolarHBondContact OG-OD1 3.01Å; D402-T404 PolarHBondContact O-N 3.14Å; D402-T404 WeakPolarHBondContact OD1-CB 3.48Å; D402-T404 PolarHBondContact OD1-N 2.91Å; D402-T404 PolarHBondContact OD1-OG1 3.38Å
403	R	98.3	Very high	97.8	Very high	141 Å²	141	32 Å²	32	53%	0.532	17%	0.17	S	C	.	.	S	Bend	trans	74.2	5	176.5	-35	-179.6	-172.9	177.2	10.5	114.3	S400 G401 K423 R424	S400-R403 PolarHBondContact O-N 2.88Å; G401-R403 PolarHBondContact O-N 3.48Å; R403-K423 WeakPolarHBondContact CD-O 3.42Å; R403-K423 PolarHBondContact NH1-O 3.37Å; R403-R424 WeakPolarHBondContact CB-O 3.36Å
404	T	98.3	Very high	97.9	Very high	20 Å²	20	32 Å²	32	12%	0.123	17%	0.166	C	C	.	.			trans	-109.9	152.7	-178.6	77	0	0	0	0	112.6	H382 S400 D402 T418 N420	H382-T404 PolarHBondContact CE1-OG1 3.44Å; H382-T404 PolarHBondContact ND1-OG1 2.93Å; S400-T404 PolarHBondContact N-O 3.37Å; D402-T404 PolarHBondContact O-N 3.14Å; D402-T404 WeakPolarHBondContact OD1-CB 3.48Å; D402-T404 PolarHBondContact OD1-N 2.91Å; D402-T404 PolarHBondContact OD1-OG1 3.38Å; T404-T418 HydrophobicContact CG2-CG2 3.96Å; T404-N420 WeakPolarHBondContact CG2-OD1 3.36Å
405	I	98.8	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.5	162	-49.1	174.7	0	0	0	106.7	V397 S398 A399 T418 L419 I426 L429 V436 W448	V397-I405 HydrophobicContact CG1-CG2 3.48Å; V397-I405 VanDerWaalsContact CG1-CG2 3.48Å; S398-I405 CarbonylContact O-C 3.57Å; S398-I405 VanDerWaalsContact O-CA 3.28Å; S398-I405 WeakPolarHBondContact O-CA 3.26Å; S398-I405 WeakPolarHBondContact O-CG2 3.43Å; A399-I405 HydrophobicContact CB-CG1 4.07Å; A399-I405 HydrophobicContact CB-CG2 4.47Å; I405-T418 CarbonylContact O-C 3.51Å; I405-T418 VanDerWaalsContact O-CA 3.28Å; I405-T418 WeakPolarHBondContact O-CA 3.42Å; I405-T418 WeakPolarHBondContact O-CG2 3.46Å; I405-L419 HydrophobicContact CB-CB 4.02Å; I405-L419 HydrophobicContact CB-CD1 4.22Å; I405-L419 HydrophobicContact CB-CG 4.15Å; I405-L419 HydrophobicContact CD1-CD1 4.22Å; I405-L419 HydrophobicContact CG2-CD1 4.27Å; I405-L419 PolarHBondContact N-O 3.39Å; I405-L419 VanDerWaalsContact N-O 3.11Å; I405-L419 PolarHBondContact O-N 3.04Å; I405-I426 HydrophobicContact CD1-CD1 4.15Å; I405-I426 HydrophobicContact CG1-CD1 3.41Å; I405-I426 VanDerWaalsContact CG1-CD1 3.41Å; I405-L429 HydrophobicContact CD1-CD1 4.01Å; I405-L429 HydrophobicContact CG1-CD1 4.29Å; I405-L429 HydrophobicContact CG2-CD1 3.82Å; I405-V436 HydrophobicContact CD1-CG1 4.06Å; I405-W448 HydrophobicContact CD1-CZ2 4.37Å
406	K	98.6	Very high	98	Very high	29 Å²	29	34 Å²	34	13%	0.126	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.1	173.4	-69.4	-178.1	179.1	-69.7	0	110.3	G381 V397 S398 W408 F415 T418	G381-K406 VanDerWaalsContact O-CE 3.29Å; G381-K406 WeakPolarHBondContact O-CE 3.35Å; V397-K406 WeakPolarHBondContact CA-O 3.25Å; S398-K406 PolarHBondContact N-O 3.3Å; S398-K406 PolarHBondContact O-N 3.19Å; S398-K406 PolarHBondContact OG-O 2.85Å; K406-W408 HydrophobicContact CB-CZ2 3.97Å; K406-W408 HydrophobicContact CD-CH2 4.4Å; K406-W408 HydrophobicContact CD-CZ2 3.81Å; K406-F415 HydrophobicContact CB-CE2 4.45Å; K406-F415 HydrophobicContact CD-CE2 4.41Å; K406-F415 HydrophobicContact CG-CE2 4.24Å; K406-T418 HydrophobicContact CG-CG2 4.21Å; K406-T418 PolarHBondContact NZ-OG1 3.25Å
407	V	98.6	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.8	178.2	-174.6	0	0	0	0	107.3	Y395 I396 V416 R417 L419 I450	Y395-V407 HydrophobicContact CD1-CG1 3.63Å; Y395-V407 HydrophobicContact CD2-CG1 4.33Å; Y395-V407 HydrophobicContact CE1-CG1 4.14Å; Y395-V407 HydrophobicContact CG-CG1 3.75Å; I396-V407 WeakPolarHBondContact O-CA 3.34Å; V407-V416 HydrophobicContact CB-CB 4.44Å; V407-V416 HydrophobicContact CG1-CB 4.25Å; V407-V416 WeakPolarHBondContact O-CB 3.4Å; V407-V416 PolarHBondContact O-N 2.86Å; V407-R417 HydrophobicContact CB-CG 3.73Å; V407-R417 HydrophobicContact CG1-CG 4.37Å; V407-R417 HydrophobicContact CG2-CG 3.76Å; V407-R417 PolarHBondContact N-O 3.11Å; V407-R417 PolarHBondContact O-N 3.1Å; V407-L419 HydrophobicContact CG2-CD2 4.44Å; V407-L419 HydrophobicContact CG2-CG 4.38Å; V407-I450 HydrophobicContact CB-CD1 4.37Å; V407-I450 HydrophobicContact CG1-CD1 3.86Å; V407-I450 HydrophobicContact CG1-CG1 4.41Å; V407-I450 HydrophobicContact CG2-CD1 3.54Å
408	W	98.5	Very high	97.9	Very high	15 Å²	15	38.9 Å²	38.9	6%	0.057	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.2	179.6	-40.2	80.1	0	0	0	108.4	I362 L379 Y395 I396 S398 K406 E414 F415	I362-W408 HydrophobicContact CD1-CZ2 4.26Å; L379-W408 HydrophobicContact CB-CD2 4.35Å; L379-W408 HydrophobicContact CB-CE3 4.22Å; L379-W408 HydrophobicContact CB-CH2 4.2Å; L379-W408 HydrophobicContact CB-CZ2 4.31Å; L379-W408 HydrophobicContact CB-CZ3 4.14Å; L379-W408 HydrophobicContact CD1-CB 4.18Å; L379-W408 HydrophobicContact CD1-CD2 3.9Å; L379-W408 HydrophobicContact CD1-CE3 4.3Å; L379-W408 HydrophobicContact CD1-CG 3.83Å; Y395-W408 CarbonylContact C-O 3.54Å; Y395-W408 VanDerWaalsContact CA-O 3.28Å; Y395-W408 WeakPolarHBondContact CA-O 3.37Å; I396-W408 HydrophobicContact CB-CB 4.33Å; I396-W408 PolarHBondContact N-O 2.93Å; I396-W408 PolarHBondContact O-N 3.17Å; S398-W408 PolarHBondContact OG-NE1 3.03Å; K406-W408 HydrophobicContact CB-CZ2 3.97Å; K406-W408 HydrophobicContact CD-CH2 4.4Å; K406-W408 HydrophobicContact CD-CZ2 3.81Å; W408-E414 CarbonylContact C-O 3.59Å; W408-E414 WeakPolarHBondContact CA-O 3.42Å; W408-E414 WeakPolarHBondContact CB-O 3.42Å; W408-F415 HydrophobicContact CE3-CB 3.77Å; W408-F415 HydrophobicContact CE3-CD2 4.31Å; W408-F415 HydrophobicContact CH2-CD2 4.47Å; W408-F415 HydrophobicContact CZ3-CB 3.79Å; W408-F415 HydrophobicContact CZ3-CD2 4.26Å; W408-F415 HydrophobicContact CZ3-CG 4.49Å
409	S	98.1	Very high	97.9	Very high	22 Å²	22	39 Å²	39	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.9	173.8	-179.9	0	0	0	0	110.3	S411 C413 E414	S409-S411 PolarHBondContact OG-OG 2.81Å; S409-C413 WeakPolarHBondContact O-CA 3.28Å; S409-C413 PolarHBondContact O-N 3.35Å; S409-E414 PolarHBondContact N-O 2.91Å
410	T	96.9	Very high	97.8	Very high	11 Å²	11	44 Å²	44	7%	0.067	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-42.4	179.5	-53.6	0	0	0	0	111.5	L352 F391 D392 K394 Y395 I396 C413	L352-T410 HydrophobicContact CD2-CG2 3.5Å; F391-T410 HydrophobicContact CD2-CG2 4.39Å; D392-T410 WeakPolarHBondContact O-CB 3.43Å; D392-T410 WeakPolarHBondContact O-CG2 3.19Å; D392-T410 PolarHBondContact O-OG1 2.83Å; K394-T410 VanDerWaalsContact C-OG1 3.23Å; K394-T410 PolarHBondContact O-N 3.14Å; Y395-T410 WeakPolarHBondContact CA-OG1 3.5Å; Y395-T410 PolarHBondContact N-OG1 2.97Å; I396-T410 HydrophobicContact CG1-CG2 4.34Å; I396-T410 PolarHBondContact N-OG1 3.12Å; T410-C413 PolarHBondContact O-SG 2.71Å
411	S	95.6	Very high	97.7	Very high	77 Å²	77	45.7 Å²	45.7	54%	0.538	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-53.8	-176.7	57	0	0	0	0	113	R376 S409	R376-S411 PolarHBondContact NH2-O 2.94Å; S409-S411 PolarHBondContact OG-OG 2.81Å
412	T	96.1	Very high	97.7	Very high	56 Å²	56	44.8 Å²	44.8	34%	0.344	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.1	-177.3	72.3	0	0	0	0	113.9	R377 E414	R377-T412 PolarHBondContact NH1-O 2.84Å; R377-T412 PolarHBondContact NH2-O 3.08Å; R377-T412 VanDerWaalsContact NH2-O 3.1Å; T412-E414 VanDerWaalsContact CB-OE2 3.23Å; T412-E414 WeakPolarHBondContact CB-OE2 3.26Å; T412-E414 PolarHBondContact O-N 2.97Å; T412-E414 WeakPolarHBondContact OG1-CB 3.27Å; T412-E414 WeakPolarHBondContact OG1-CG 3.45Å; T412-E414 PolarHBondContact OG1-N 3Å; T412-E414 PolarHBondContact OG1-OE2 2.76Å
413	C	97.3	Very high	97.7	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.034	25%	0.254	C	S	.	.			trans	55.8	35.6	-173.7	-68.1	0	0	0	0	113.3	R377 L379 S409 T410	R377-C413 HydrophobicContact CB-CB 4.31Å; R377-C413 VanDerWaalsContact NH1-C 3.29Å; R377-C413 PolarHBondContact NH1-O 2.98Å; L379-C413 HydrophobicContact CD2-CB 3.92Å; S409-C413 WeakPolarHBondContact O-CA 3.28Å; S409-C413 PolarHBondContact O-N 3.35Å; T410-C413 PolarHBondContact O-SG 2.71Å
414	E	97.3	Very high	97.7	Very high	116 Å²	116	49.8 Å²	49.8	54%	0.542	26%	0.255	S	S	.	.			trans	-104.8	155	178.6	-66.5	170.3	138.5	0	0	112.1	W408 S409 T412	W408-E414 CarbonylContact C-O 3.59Å; W408-E414 WeakPolarHBondContact CA-O 3.42Å; W408-E414 WeakPolarHBondContact CB-O 3.42Å; S409-E414 PolarHBondContact N-O 2.91Å; T412-E414 VanDerWaalsContact CB-OE2 3.23Å; T412-E414 WeakPolarHBondContact CB-OE2 3.26Å; T412-E414 PolarHBondContact O-N 2.97Å; T412-E414 WeakPolarHBondContact OG1-CB 3.27Å; T412-E414 WeakPolarHBondContact OG1-CG 3.45Å; T412-E414 PolarHBondContact OG1-N 3Å; T412-E414 PolarHBondContact OG1-OE2 2.76Å
415	F	98.2	Very high	97.7	Very high	108 Å²	108	49.5 Å²	49.5	47%	0.474	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.6	178.6	171.8	-99.8	0	0	0	111.9	K406 W408 R417 T418	K406-F415 HydrophobicContact CB-CE2 4.45Å; K406-F415 HydrophobicContact CD-CE2 4.41Å; K406-F415 HydrophobicContact CG-CE2 4.24Å; W408-F415 HydrophobicContact CE3-CB 3.77Å; W408-F415 HydrophobicContact CE3-CD2 4.31Å; W408-F415 HydrophobicContact CH2-CD2 4.47Å; W408-F415 HydrophobicContact CZ3-CB 3.79Å; W408-F415 HydrophobicContact CZ3-CD2 4.26Å; W408-F415 HydrophobicContact CZ3-CG 4.49Å; F415-R417 VanDerWaalsContact CE2-C 3.45Å; F415-R417 WeakPolarHBondContact CE2-O 3.43Å; F415-T418 WeakPolarHBondContact CE2-OG1 3.3Å; F415-T418 WeakPolarHBondContact CZ-OG1 3.29Å
416	V	98	Very high	97.7	Very high	52 Å²	52	49.5 Å²	49.5	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-54	-178	-179	0	0	0	0	111.7	Y395 V407	Y395-V416 HydrophobicContact CD1-CG2 4.38Å; Y395-V416 HydrophobicContact CE1-CB 4.47Å; Y395-V416 HydrophobicContact CE1-CG1 4.08Å; Y395-V416 HydrophobicContact CE1-CG2 4.03Å; V407-V416 HydrophobicContact CB-CB 4.44Å; V407-V416 HydrophobicContact CG1-CB 4.25Å; V407-V416 WeakPolarHBondContact O-CB 3.4Å; V407-V416 PolarHBondContact O-N 2.86Å
417	R	97.8	Very high	97.7	Very high	65 Å²	65	48.7 Å²	48.7	25%	0.245	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	163.3	-178	57.1	-176.4	67.4	97.8	2	112.9	Y395 V407 F415 L419 I450 E451	Y395-R417 PolarHBondContact OH-NH1 3.13Å; V407-R417 HydrophobicContact CB-CG 3.73Å; V407-R417 HydrophobicContact CG1-CG 4.37Å; V407-R417 HydrophobicContact CG2-CG 3.76Å; V407-R417 PolarHBondContact N-O 3.11Å; V407-R417 PolarHBondContact O-N 3.1Å; F415-R417 VanDerWaalsContact CE2-C 3.45Å; F415-R417 WeakPolarHBondContact CE2-O 3.43Å; R417-L419 HydrophobicContact CG-CD2 4.32Å; R417-I450 WeakPolarHBondContact CD-O 3.45Å; R417-I450 PolarHBondContact NH1-O 2.97Å; R417-E451 PolarHBondContact NE-O 2.75Å; R417-E451 PolarHBondContact NH1-O 2.65Å; R417-E451 PolarHBondContact NH2-O 3.24Å
418	T	98.3	Very high	97.6	Very high	38 Å²	38	49 Å²	49	23%	0.233	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.9	170.6	-59.8	0	0	0	0	109.5	T404 I405 K406 F415 N420	T404-T418 HydrophobicContact CG2-CG2 3.96Å; I405-T418 CarbonylContact O-C 3.51Å; I405-T418 VanDerWaalsContact O-CA 3.28Å; I405-T418 WeakPolarHBondContact O-CA 3.42Å; I405-T418 WeakPolarHBondContact O-CG2 3.46Å; K406-T418 HydrophobicContact CG-CG2 4.21Å; K406-T418 PolarHBondContact NZ-OG1 3.25Å; F415-T418 WeakPolarHBondContact CE2-OG1 3.3Å; F415-T418 WeakPolarHBondContact CZ-OG1 3.29Å; T418-N420 PolarHBondContact O-ND2 2.71Å
419	L	98.2	Very high	97.6	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.1	173.1	-38	-176.9	0	0	0	108.3	I405 V407 R417 W448 G453	I405-L419 HydrophobicContact CB-CB 4.02Å; I405-L419 HydrophobicContact CB-CD1 4.22Å; I405-L419 HydrophobicContact CB-CG 4.15Å; I405-L419 HydrophobicContact CD1-CD1 4.22Å; I405-L419 HydrophobicContact CG2-CD1 4.27Å; I405-L419 PolarHBondContact N-O 3.39Å; I405-L419 VanDerWaalsContact N-O 3.11Å; I405-L419 PolarHBondContact O-N 3.04Å; V407-L419 HydrophobicContact CG2-CD2 4.44Å; V407-L419 HydrophobicContact CG2-CG 4.38Å; R417-L419 HydrophobicContact CG-CD2 4.32Å; L419-W448 HydrophobicContact CB-CD2 4.31Å; L419-W448 HydrophobicContact CB-CE3 3.97Å; L419-W448 HydrophobicContact CB-CZ3 4.14Å; L419-W448 HydrophobicContact CD1-CB 3.88Å; L419-W448 HydrophobicContact CD1-CD2 4.21Å; L419-W448 HydrophobicContact CD1-CE3 4.44Å; L419-W448 HydrophobicContact CD1-CG 3.99Å; L419-G453 VanDerWaalsContact CD2-CA 3.45Å
420	N	96.7	Very high	97.6	Very high	105 Å²	105	48.6 Å²	48.6	56%	0.561	25%	0.253	S	S	*	.			trans	-126	141.3	-175.1	-68.5	-76.9	0	0	0	110	T404 T418 W448	T404-N420 WeakPolarHBondContact CG2-OD1 3.36Å; T418-N420 PolarHBondContact O-ND2 2.71Å; N420-W448 WeakPolarHBondContact O-CH2 3.39Å; N420-W448 WeakPolarHBondContact O-CZ3 3.27Å
421	G	96	Very high	97.7	Very high	34 Å²	34	48.7 Å²	48.7	35%	0.351	25%	0.252	S	S	.	.			trans	154.1	-18.8	173.8	0	0	0	0	0	115.5	R446	G421-R446 PolarHBondContact O-NH2 2.86Å
422	H	98.2	Very high	97.7	Very high	11 Å²	11	48.3 Å²	48.3	5%	0.051	24%	0.239	C	C	.	.			trans	-65.2	138.5	167.4	-86.4	-63.7	0	0	0	110.8	I426 S438 S440 D442 T444 W448	H422-I426 HydrophobicContact CB-CD1 4.39Å; H422-I426 HydrophobicContact CB-CG1 4.17Å; H422-S438 PolarHBondContact NE2-OG 3.24Å; H422-S440 WeakPolarHBondContact CE1-CB 3.32Å; H422-S440 WeakPolarHBondContact ND1-CB 3.16Å; H422-D442 WeakPolarHBondContact CA-OD2 3.49Å; H422-D442 IonicContact CE1-OD1 3.55Å; H422-D442 IonicContact CG-OD2 3.61Å; H422-D442 IonicContact ND1-OD1 2.71Å; H422-D442 PolarHBondContact ND1-OD1 3.27Å; H422-D442 IonicContact ND1-OD2 3.57Å; H422-D442 PolarHBondContact ND1-OD2 3.06Å; H422-T444 PolarHBondContact CE1-OG1 2.96Å; H422-T444 PolarHBondContact ND1-OG1 2.86Å; H422-W448 AromaticContact CD2-CZ2 3.9Å
423	K	97.9	Very high	97.6	Very high	132 Å²	132	50.7 Å²	50.7	57%	0.574	25%	0.25	S	C	*	.	S	Bend	trans	-82.3	-20.7	-176.1	-61.5	170.3	-178	165.5	0	111.9	R403 D442	R403-K423 WeakPolarHBondContact CD-O 3.42Å; R403-K423 PolarHBondContact NH1-O 3.37Å; K423-D442 HydrophobicContact CB-CB 3.87Å; K423-D442 PolarHBondContact N-OD2 3.26Å
424	R	98.4	Very high	97.5	Very high	146 Å²	146	56.8 Å²	56.8	55%	0.551	27%	0.272	S	S	*	.	S	Bend	trans	-140.7	180	179.7	-68	172.3	168.5	179.6	-2	110.7	R403 S440 S441 D442	R403-R424 WeakPolarHBondContact CB-O 3.36Å; R424-S440 PolarHBondContact O-OG 2.81Å; R424-S441 WeakPolarHBondContact CD-O 3.47Å; R424-S441 PolarHBondContact NH1-O 2.95Å; R424-D442 HydrophobicContact CB-CB 4.07Å; R424-D442 HydrophobicContact CG-CB 4.3Å
425	G	98	Very high	97.6	Very high	13 Å²	13	52.2 Å²	52.2	13%	0.134	25%	0.251	C	S	.	.			trans	-57.9	148.8	-177	0	0	0	0	0	113.3	G401 S440 S441	G401-G425 WeakPolarHBondContact O-CA 3.25Å; G425-S440 WeakPolarHBondContact O-CA 3.42Å; G425-S440 WeakPolarHBondContact O-CB 3.45Å; G425-S440 PolarHBondContact O-OG 2.93Å; G425-S441 PolarHBondContact O-N 2.75Å; G425-S441 PolarHBondContact O-OG 2.91Å
426	I	98.6	Very high	97.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.3	-179.5	-53.3	177.5	0	0	0	108.2	N387 A399 S400 I405 H422 G439	N387-I426 PolarHBondContact ND2-O 2.85Å; A399-I426 HydrophobicContact CB-CB 3.95Å; A399-I426 HydrophobicContact CB-CD1 4.17Å; A399-I426 HydrophobicContact CB-CG2 3.71Å; S400-I426 PolarHBondContact O-N 3.44Å; I405-I426 HydrophobicContact CD1-CD1 4.15Å; I405-I426 HydrophobicContact CG1-CD1 3.41Å; I405-I426 VanDerWaalsContact CG1-CD1 3.41Å; H422-I426 HydrophobicContact CB-CD1 4.39Å; H422-I426 HydrophobicContact CB-CG1 4.17Å; I426-G439 WeakPolarHBondContact CG2-O 3.39Å
427	A	98.3	Very high	97.6	Very high	11 Å²	11	44.6 Å²	44.6	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-19.4	-171.5	0	0	0	0	0	113.6	G439 L465 R467	A427-G439 PolarHBondContact N-O 3.16Å; A427-L465 HydrophobicContact CB-CD2 3.86Å; A427-L465 HydrophobicContact CB-CG 4.48Å; A427-R467 PolarHBondContact O-NH1 2.82Å
428	C	98	Very high	97.6	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.3	173.7	57.5	0	0	0	0	112.5	S438 G439 V466 R467 I469	C428-S438 WeakPolarHBondContact O-CA 3.28Å; C428-G439 PolarHBondContact N-O 2.87Å; C428-G439 PolarHBondContact O-N 3.24Å; C428-G439 VanDerWaalsContact SG-CA 3.59Å; C428-V466 PolarHBondContact SG-O 3.04Å; C428-R467 VanDerWaalsContact CB-O 3.31Å; C428-R467 WeakPolarHBondContact CB-O 3.34Å; C428-I469 HydrophobicContact CB-CG2 3.94Å; C428-I469 VanDerWaalsContact SG-CG2 3.59Å
429	L	98.4	Very high	97.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	151.1	-179.4	-172.6	142.6	0	0	0	109.2	V388 D390 V397 A399 I405 V436 V437 R470	V388-L429 HydrophobicContact CB-CB 4.36Å; V388-L429 HydrophobicContact CG1-CB 3.51Å; V388-L429 HydrophobicContact CG2-CB 3.9Å; D390-L429 HydrophobicContact CB-CD2 3.96Å; V397-L429 HydrophobicContact CB-CD2 4.39Å; V397-L429 HydrophobicContact CG1-CD1 3.84Å; V397-L429 HydrophobicContact CG1-CD2 3.93Å; A399-L429 HydrophobicContact CB-CD1 3.81Å; I405-L429 HydrophobicContact CD1-CD1 4.01Å; I405-L429 HydrophobicContact CG1-CD1 4.29Å; I405-L429 HydrophobicContact CG2-CD1 3.82Å; L429-V436 HydrophobicContact CD1-CG1 3.61Å; L429-V436 HydrophobicContact CD2-CG1 4.29Å; L429-V436 HydrophobicContact CG-CG1 3.87Å; L429-V437 CarbonylContact C-O 3.6Å; L429-V437 VanDerWaalsContact CA-O 3.31Å; L429-V437 WeakPolarHBondContact CA-O 3.37Å; L429-R470 PolarHBondContact O-NH1 2.87Å; L429-R470 VanDerWaalsContact O-NH1 3.08Å
430	Q	98.4	Very high	97.7	Very high	27 Å²	27	39.5 Å²	39.5	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.1	153.2	-177.6	-178.7	-11.1	0	0	107.9	D390 V437 F471	D390-Q430 WeakPolarHBondContact OD2-CA 3.44Å; Q430-V437 PolarHBondContact N-O 3.24Å; Q430-V437 PolarHBondContact O-N 2.84Å; Q430-F471 HydrophobicContact CB-CD1 3.91Å; Q430-F471 HydrophobicContact CB-CE1 3.73Å; Q430-F471 HydrophobicContact CG-CD1 3.98Å; Q430-F471 HydrophobicContact CG-CE1 3.64Å; Q430-F471 PolarHBondContact NE2-O 3.17Å
431	Y	98.2	Very high	97.7	Very high	13 Å²	13	36 Å²	36	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.3	170.3	169	-125.5	0	0	0	108.9	D390 D392 V397 D433 V436 I450	D390-Y431 PolarHBondContact OD2-N 3.43Å; D392-Y431 HydrophobicContact CB-CE1 4.04Å; D392-Y431 VanDerWaalsContact OD2-CE1 3.27Å; D392-Y431 WeakPolarHBondContact OD2-CE1 3.46Å; D392-Y431 PolarHBondContact OD2-OH 2.58Å; V397-Y431 HydrophobicContact CB-CD1 4.32Å; V397-Y431 HydrophobicContact CB-CG 4.28Å; V397-Y431 HydrophobicContact CG2-CD1 3.56Å; V397-Y431 HydrophobicContact CG2-CD2 4.13Å; V397-Y431 HydrophobicContact CG2-CE1 3.99Å; V397-Y431 HydrophobicContact CG2-CG 3.65Å; Y431-D433 VanDerWaalsContact CE2-O 3.31Å; Y431-D433 WeakPolarHBondContact CE2-O 3.5Å; Y431-D433 PolarHBondContact OH-O 2.9Å; Y431-V436 HydrophobicContact CD2-CG2 3.63Å; Y431-V436 HydrophobicContact CE2-CG2 4.41Å; Y431-V436 HydrophobicContact CG-CG2 4.3Å; Y431-I450 HydrophobicContact CD2-CD1 4.44Å; Y431-I450 HydrophobicContact CD2-CG1 4.49Å; Y431-I450 HydrophobicContact CE2-CB 3.95Å; Y431-I450 HydrophobicContact CE2-CD1 4.13Å; Y431-I450 HydrophobicContact CE2-CG1 3.74Å; Y431-I450 HydrophobicContact CE2-CG2 4.12Å
432	R	95.9	Very high	97.8	Very high	69 Å²	69	35.3 Å²	35.3	26%	0.26	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	139.7	173.3	-168.4	176.9	56.4	97.1	-13.7	110	R434 L435 F471 D472 N473	R432-R434 PolarHBondContact O-N 2.96Å; R432-L435 PolarHBondContact N-O 3.45Å; R432-L435 PolarHBondContact O-N 2.76Å; R432-L435 VanDerWaalsContact O-O 3.11Å; R432-F471 HydrophobicContact CB-CE2 4.12Å; R432-F471 HydrophobicContact CB-CZ 3.7Å; R432-D472 PolarHBondContact NH2-O 2.84Å; R432-N473 PolarHBondContact NH1-OD1 2.78Å; R432-N473 PolarHBondContact NH2-OD1 3.06Å
433	D	93.5	Very high	97.8	Very high	107 Å²	107	36.7 Å²	36.7	57%	0.572	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	-119.2	-178.4	-47.5	-51.5	0	0	0	110.9	Y431	Y431-D433 VanDerWaalsContact CE2-O 3.31Å; Y431-D433 WeakPolarHBondContact CE2-O 3.5Å; Y431-D433 PolarHBondContact OH-O 2.9Å
434	R	95.6	Very high	97.8	Very high	133 Å²	133	30.7 Å²	30.7	50%	0.502	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.7	177.2	-169.6	169.5	168.5	117.9	7.4	113.7	R432 D449 I450 E451	R432-R434 PolarHBondContact O-N 2.96Å; R434-D449 IonicContact CZ-OD1 3.67Å; R434-D449 IonicContact CZ-OD2 3.33Å; R434-D449 IonicContact NE-OD1 2.68Å; R434-D449 IonicContact NE-OD2 2.69Å; R434-D449 PolarHBondContact NE-OD2 2.95Å; R434-D449 VanDerWaalsContact NH2-CG 3.3Å; R434-D449 IonicContact NH2-OD1 3.32Å; R434-D449 PolarHBondContact NH2-OD1 3.45Å; R434-D449 IonicContact NH2-OD2 3.91Å; R434-D449 PolarHBondContact NH2-OD2 2.92Å; R434-I450 HydrophobicContact CG-CG2 4.17Å; R434-I450 WeakPolarHBondContact O-CG2 3.32Å; R434-I450 PolarHBondContact O-N 2.96Å; R434-E451 HydrophobicContact CG-CG 4.37Å
435	L	98	Very high	97.9	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.105	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.6	-165.8	-173.4	66.8	0	0	0	112.6	R432 V437 L447 L456 F471 L490 L494	R432-L435 PolarHBondContact N-O 3.45Å; R432-L435 PolarHBondContact O-N 2.76Å; R432-L435 VanDerWaalsContact O-O 3.11Å; L435-V437 HydrophobicContact CD2-CG2 3.77Å; L435-V437 HydrophobicContact CG-CG2 3.86Å; L435-L447 HydrophobicContact CD1-CB 4.1Å; L435-L447 HydrophobicContact CD1-CG 4.35Å; L435-L456 HydrophobicContact CD1-CD1 4.16Å; L435-F471 HydrophobicContact CB-CE2 4.41Å; L435-F471 HydrophobicContact CB-CZ 4.25Å; L435-F471 HydrophobicContact CD2-CD2 4.23Å; L435-F471 HydrophobicContact CD2-CE2 3.8Å; L435-F471 HydrophobicContact CD2-CZ 4.12Å; L435-F471 HydrophobicContact CG-CE2 4.41Å; L435-F471 HydrophobicContact CG-CZ 4.28Å; L435-L490 HydrophobicContact CD2-CD1 3.77Å; L435-L494 HydrophobicContact CD1-CD2 4.15Å
436	V	98.6	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.4	163.3	178.9	0	0	0	0	108.8	V397 I405 L429 Y431 L447 W448 I450	V397-V436 HydrophobicContact CG1-CG1 4.34Å; V397-V436 HydrophobicContact CG1-CG2 4.11Å; I405-V436 HydrophobicContact CD1-CG1 4.06Å; L429-V436 HydrophobicContact CD1-CG1 3.61Å; L429-V436 HydrophobicContact CD2-CG1 4.29Å; L429-V436 HydrophobicContact CG-CG1 3.87Å; Y431-V436 HydrophobicContact CD2-CG2 3.63Å; Y431-V436 HydrophobicContact CE2-CG2 4.41Å; Y431-V436 HydrophobicContact CG-CG2 4.3Å; V436-L447 CarbonylContact O-C 3.5Å; V436-L447 WeakPolarHBondContact O-CA 3.43Å; V436-W448 HydrophobicContact CB-CB 4.23Å; V436-W448 PolarHBondContact N-O 3.3Å; V436-W448 PolarHBondContact O-N 3.34Å; V436-I450 HydrophobicContact CG2-CB 4.47Å; V436-I450 HydrophobicContact CG2-CD1 3.7Å
437	V	98.7	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.9	172.1	-171	0	0	0	0	109	L429 Q430 L435 I445 R446 L447 I469 F471 I476	L429-V437 CarbonylContact C-O 3.6Å; L429-V437 VanDerWaalsContact CA-O 3.31Å; L429-V437 WeakPolarHBondContact CA-O 3.37Å; Q430-V437 PolarHBondContact N-O 3.24Å; Q430-V437 PolarHBondContact O-N 2.84Å; L435-V437 HydrophobicContact CD2-CG2 3.77Å; L435-V437 HydrophobicContact CG-CG2 3.86Å; V437-I445 HydrophobicContact CG1-CG2 3.73Å; V437-R446 WeakPolarHBondContact CA-O 3.38Å; V437-L447 HydrophobicContact CG1-CD1 4.32Å; V437-L447 HydrophobicContact CG2-CG 4.33Å; V437-I469 HydrophobicContact CG1-CD1 3.64Å; V437-I469 HydrophobicContact CG1-CG1 4.22Å; V437-F471 HydrophobicContact CB-CD1 3.88Å; V437-F471 HydrophobicContact CB-CE1 4.02Å; V437-F471 HydrophobicContact CG2-CD1 3.5Å; V437-F471 HydrophobicContact CG2-CE1 3.54Å; V437-F471 HydrophobicContact CG2-CG 4.02Å; V437-F471 HydrophobicContact CG2-CZ 4.1Å; V437-I476 HydrophobicContact CG1-CD1 4.23Å; V437-I476 HydrophobicContact CG1-CG2 4.21Å
438	S	98.6	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140	-174.7	62.3	0	0	0	0	113.2	H422 C428 I445 R446 W448	H422-S438 PolarHBondContact NE2-OG 3.24Å; C428-S438 WeakPolarHBondContact O-CA 3.28Å; S438-I445 CarbonylContact O-C 3.5Å; S438-I445 VanDerWaalsContact O-CA 3.26Å; S438-I445 WeakPolarHBondContact O-CA 3.2Å; S438-R446 PolarHBondContact N-O 2.86Å; S438-R446 PolarHBondContact O-N 3.07Å; S438-W448 PolarHBondContact OG-NE1 3.35Å
439	G	98.5	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.4	174.1	0	0	0	0	0	112.2	I426 A427 C428	I426-G439 WeakPolarHBondContact CG2-O 3.39Å; A427-G439 PolarHBondContact N-O 3.16Å; C428-G439 PolarHBondContact N-O 2.87Å; C428-G439 PolarHBondContact O-N 3.24Å; C428-G439 VanDerWaalsContact SG-CA 3.59Å
440	S	98.5	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	162.4	-168.2	174.8	0	0	0	0	114.2	H422 R424 G425 D442 N443 T444 V466	H422-S440 WeakPolarHBondContact CE1-CB 3.32Å; H422-S440 WeakPolarHBondContact ND1-CB 3.16Å; R424-S440 PolarHBondContact O-OG 2.81Å; G425-S440 WeakPolarHBondContact O-CA 3.42Å; G425-S440 WeakPolarHBondContact O-CB 3.45Å; G425-S440 PolarHBondContact O-OG 2.93Å; S440-D442 VanDerWaalsContact CB-OD1 3.31Å; S440-D442 WeakPolarHBondContact CB-OD1 3.37Å; S440-D442 PolarHBondContact O-N 3.16Å; S440-D442 PolarHBondContact OG-N 2.99Å; S440-D442 PolarHBondContact OG-OD1 2.96Å; S440-N443 PolarHBondContact O-N 3.41Å; S440-N443 VanDerWaalsContact O-N 3.15Å; S440-T444 PolarHBondContact N-O 2.9Å; S440-V466 PolarHBondContact O-N 2.92Å
441	S	98.4	Very high	97.7	Very high	30 Å²	30	26 Å²	26	21%	0.21	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	0.8	166.9	-38.9	0	0	0	0	114.2	R424 G425 N443 L465	R424-S441 WeakPolarHBondContact CD-O 3.47Å; R424-S441 PolarHBondContact NH1-O 2.95Å; G425-S441 PolarHBondContact O-N 2.75Å; G425-S441 PolarHBondContact O-OG 2.91Å; S441-N443 VanDerWaalsContact C-N 3.28Å; S441-L465 WeakPolarHBondContact OG-CD1 3.26Å
442	D	97.9	Very high	97.6	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.107	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.1	166.2	69.3	18.5	0	0	0	113.6	H422 K423 R424 S440 T444	H422-D442 WeakPolarHBondContact CA-OD2 3.49Å; H422-D442 IonicContact CE1-OD1 3.55Å; H422-D442 IonicContact CG-OD2 3.61Å; H422-D442 IonicContact ND1-OD1 2.71Å; H422-D442 PolarHBondContact ND1-OD1 3.27Å; H422-D442 IonicContact ND1-OD2 3.57Å; H422-D442 PolarHBondContact ND1-OD2 3.06Å; K423-D442 HydrophobicContact CB-CB 3.87Å; K423-D442 PolarHBondContact N-OD2 3.26Å; R424-D442 HydrophobicContact CB-CB 4.07Å; R424-D442 HydrophobicContact CG-CB 4.3Å; S440-D442 VanDerWaalsContact CB-OD1 3.31Å; S440-D442 WeakPolarHBondContact CB-OD1 3.37Å; S440-D442 PolarHBondContact O-N 3.16Å; S440-D442 PolarHBondContact OG-N 2.99Å; S440-D442 PolarHBondContact OG-OD1 2.96Å; D442-T444 PolarHBondContact O-N 2.96Å; D442-T444 WeakPolarHBondContact OD1-CB 3.41Å; D442-T444 PolarHBondContact OD1-N 2.7Å; D442-T444 PolarHBondContact OD1-OG1 2.77Å
443	N	98.1	Very high	97.6	Very high	41 Å²	41	27.1 Å²	27.1	22%	0.219	14%	0.143	C	C	.	.	S	Bend	trans	65.9	6.3	179.1	-50.1	1.3	0	0	0	114.1	S440 S441 E463 E464 L465	S440-N443 PolarHBondContact O-N 3.41Å; S440-N443 VanDerWaalsContact O-N 3.15Å; S441-N443 VanDerWaalsContact C-N 3.28Å; N443-E463 PolarHBondContact ND2-O 3.02Å; N443-E464 PolarHBondContact ND2-N 3.45Å; N443-E464 VanDerWaalsContact OD1-C 3.23Å; N443-E464 PolarHBondContact OD1-O 3.38Å; N443-L465 PolarHBondContact OD1-N 2.82Å
444	T	98.1	Very high	97.7	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.037	13%	0.133	C	C	.	.			trans	-98.4	151.3	175.7	74.3	0	0	0	0	112	H422 S440 D442 V458 L459 E460	H422-T444 PolarHBondContact CE1-OG1 2.96Å; H422-T444 PolarHBondContact ND1-OG1 2.86Å; S440-T444 PolarHBondContact N-O 2.9Å; D442-T444 PolarHBondContact O-N 2.96Å; D442-T444 WeakPolarHBondContact OD1-CB 3.41Å; D442-T444 PolarHBondContact OD1-N 2.7Å; D442-T444 PolarHBondContact OD1-OG1 2.77Å; T444-V458 HydrophobicContact CG2-CG1 3.89Å; T444-L459 WeakPolarHBondContact CA-O 3.5Å; T444-E460 HydrophobicContact CG2-CG 4.07Å
445	I	98.6	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.1	161.2	-63.6	162.2	0	0	0	107.5	V437 S438 L447 V458 L459 V466 I469 S478 W488	V437-I445 HydrophobicContact CG1-CG2 3.73Å; S438-I445 CarbonylContact O-C 3.5Å; S438-I445 VanDerWaalsContact O-CA 3.26Å; S438-I445 WeakPolarHBondContact O-CA 3.2Å; I445-L447 HydrophobicContact CG2-CD1 4.35Å; I445-V458 CarbonylContact O-C 3.53Å; I445-V458 WeakPolarHBondContact O-CA 3.45Å; I445-L459 HydrophobicContact CB-CB 4.13Å; I445-L459 HydrophobicContact CB-CD1 4.22Å; I445-L459 HydrophobicContact CB-CG 4.42Å; I445-L459 HydrophobicContact CG2-CD1 4.02Å; I445-L459 PolarHBondContact N-O 2.84Å; I445-L459 PolarHBondContact O-N 3.38Å; I445-V466 HydrophobicContact CD1-CG1 4.23Å; I445-V466 HydrophobicContact CG1-CG1 3.96Å; I445-V466 HydrophobicContact CG1-CG2 4.23Å; I445-I469 HydrophobicContact CB-CD1 4.26Å; I445-I469 HydrophobicContact CD1-CD1 3.75Å; I445-I469 HydrophobicContact CG1-CD1 3.77Å; I445-I469 HydrophobicContact CG2-CD1 3.49Å; I445-I469 VanDerWaalsContact CG2-CD1 3.49Å; I445-S478 WeakPolarHBondContact CD1-OG 3.45Å; I445-W488 HydrophobicContact CD1-CZ2 4.13Å
446	R	98.5	Very high	97.8	Very high	30 Å²	30	22.9 Å²	22.9	11%	0.113	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.5	175.9	-69.2	-177.8	176.1	-117	-1.6	111.9	G421 V437 S438 W448 C455 R457 V458	G421-R446 PolarHBondContact O-NH2 2.86Å; V437-R446 WeakPolarHBondContact CA-O 3.38Å; S438-R446 PolarHBondContact N-O 2.86Å; S438-R446 PolarHBondContact O-N 3.07Å; R446-W448 HydrophobicContact CB-CZ2 3.8Å; R446-W448 HydrophobicContact CG-CZ2 4.23Å; R446-C455 PolarHBondContact NH1-SG 3.2Å; R446-C455 VanDerWaalsContact NH1-SG 3.38Å; R446-R457 WeakPolarHBondContact CA-O 3.27Å; R446-V458 HydrophobicContact CG-CG1 4.31Å; R446-V458 HydrophobicContact CG-CG2 4.24Å
447	L	98.5	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.4	171.5	-77.2	65.4	0	0	0	107.5	L435 V436 V437 I445 C455 L456 R457 L459 I476 L490 A493 L494	L435-L447 HydrophobicContact CD1-CB 4.1Å; L435-L447 HydrophobicContact CD1-CG 4.35Å; V436-L447 CarbonylContact O-C 3.5Å; V436-L447 WeakPolarHBondContact O-CA 3.43Å; V437-L447 HydrophobicContact CG1-CD1 4.32Å; V437-L447 HydrophobicContact CG2-CG 4.33Å; I445-L447 HydrophobicContact CG2-CD1 4.35Å; L447-C455 CarbonylContact O-C 3.54Å; L447-L456 HydrophobicContact CB-CB 4.29Å; L447-L456 PolarHBondContact O-N 3.37Å; L447-R457 HydrophobicContact CB-CB 4.18Å; L447-R457 HydrophobicContact CD1-CB 4.38Å; L447-R457 HydrophobicContact CD2-CB 4.33Å; L447-R457 PolarHBondContact N-O 3.3Å; L447-R457 PolarHBondContact O-N 3.09Å; L447-L459 HydrophobicContact CD1-CD1 3.98Å; L447-L459 HydrophobicContact CD1-CG 4.15Å; L447-I476 HydrophobicContact CD1-CD1 3.85Å; L447-I476 HydrophobicContact CD2-CD1 4.36Å; L447-I476 HydrophobicContact CG-CD1 4.37Å; L447-L490 HydrophobicContact CD2-CD1 4.12Å; L447-A493 HydrophobicContact CD2-CB 3.75Å; L447-L494 HydrophobicContact CD2-CD2 3.98Å; L447-L494 HydrophobicContact CD2-CG 4.24Å
448	W	98.4	Very high	97.7	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.4	-179.2	-41	77.6	0	0	0	112.1	I405 L419 N420 H422 V436 S438 R446 A454 C455	I405-W448 HydrophobicContact CD1-CZ2 4.37Å; L419-W448 HydrophobicContact CB-CD2 4.31Å; L419-W448 HydrophobicContact CB-CE3 3.97Å; L419-W448 HydrophobicContact CB-CZ3 4.14Å; L419-W448 HydrophobicContact CD1-CB 3.88Å; L419-W448 HydrophobicContact CD1-CD2 4.21Å; L419-W448 HydrophobicContact CD1-CE3 4.44Å; L419-W448 HydrophobicContact CD1-CG 3.99Å; N420-W448 WeakPolarHBondContact O-CH2 3.39Å; N420-W448 WeakPolarHBondContact O-CZ3 3.27Å; H422-W448 AromaticContact CD2-CZ2 3.9Å; V436-W448 HydrophobicContact CB-CB 4.23Å; V436-W448 PolarHBondContact N-O 3.3Å; V436-W448 PolarHBondContact O-N 3.34Å; S438-W448 PolarHBondContact OG-NE1 3.35Å; R446-W448 HydrophobicContact CB-CZ2 3.8Å; R446-W448 HydrophobicContact CG-CZ2 4.23Å; W448-A454 VanDerWaalsContact CA-O 3.28Å; W448-A454 WeakPolarHBondContact CA-O 3.3Å; W448-C455 HydrophobicContact CD2-CB 4.37Å; W448-C455 HydrophobicContact CE3-CB 3.68Å; W448-C455 HydrophobicContact CH2-CB 4.35Å; W448-C455 HydrophobicContact CZ3-CB 3.67Å
449	D	97.9	Very high	97.6	Very high	18 Å²	18	27.3 Å²	27.3	10%	0.096	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.8	166.3	-175.5	-68.7	0	0	0	109.6	R434 E451 C452 G453 A454 L456	R434-D449 IonicContact CZ-OD1 3.67Å; R434-D449 IonicContact CZ-OD2 3.33Å; R434-D449 IonicContact NE-OD1 2.68Å; R434-D449 IonicContact NE-OD2 2.69Å; R434-D449 PolarHBondContact NE-OD2 2.95Å; R434-D449 VanDerWaalsContact NH2-CG 3.3Å; R434-D449 IonicContact NH2-OD1 3.32Å; R434-D449 PolarHBondContact NH2-OD1 3.45Å; R434-D449 IonicContact NH2-OD2 3.91Å; R434-D449 PolarHBondContact NH2-OD2 2.92Å; D449-E451 VanDerWaalsContact C-N 3.28Å; D449-E451 PolarHBondContact O-N 2.85Å; D449-E451 WeakPolarHBondContact OD1-CA 3.29Å; D449-E451 WeakPolarHBondContact OD1-CB 3.36Å; D449-E451 PolarHBondContact OD1-N 2.78Å; D449-C452 PolarHBondContact OD1-N 3.06Å; D449-C452 PolarHBondContact OD1-SG 2.94Å; D449-C452 VanDerWaalsContact OD1-SG 3.38Å; D449-G453 WeakPolarHBondContact O-CA 3.19Å; D449-G453 PolarHBondContact O-N 2.8Å; D449-A454 PolarHBondContact N-O 2.82Å; D449-L456 HydrophobicContact CB-CD1 4.26Å; D449-L456 HydrophobicContact CB-CD2 4.2Å; D449-L456 HydrophobicContact CB-CG 4.25Å
450	I	97.6	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.9	-176.9	-167.4	64.4	0	0	0	113.1	Y395 V397 V407 R417 Y431 R434 V436	Y395-I450 HydrophobicContact CD2-CD1 4.47Å; Y395-I450 HydrophobicContact CD2-CG1 3.56Å; Y395-I450 HydrophobicContact CD2-CG2 4.42Å; Y395-I450 HydrophobicContact CE2-CG1 3.94Å; Y395-I450 HydrophobicContact CE2-CG2 4.36Å; Y395-I450 HydrophobicContact CG-CG1 4.36Å; V397-I450 HydrophobicContact CG2-CD1 3.74Å; V407-I450 HydrophobicContact CB-CD1 4.37Å; V407-I450 HydrophobicContact CG1-CD1 3.86Å; V407-I450 HydrophobicContact CG1-CG1 4.41Å; V407-I450 HydrophobicContact CG2-CD1 3.54Å; R417-I450 WeakPolarHBondContact CD-O 3.45Å; R417-I450 PolarHBondContact NH1-O 2.97Å; Y431-I450 HydrophobicContact CD2-CD1 4.44Å; Y431-I450 HydrophobicContact CD2-CG1 4.49Å; Y431-I450 HydrophobicContact CE2-CB 3.95Å; Y431-I450 HydrophobicContact CE2-CD1 4.13Å; Y431-I450 HydrophobicContact CE2-CG1 3.74Å; Y431-I450 HydrophobicContact CE2-CG2 4.12Å; R434-I450 HydrophobicContact CG-CG2 4.17Å; R434-I450 WeakPolarHBondContact O-CG2 3.32Å; R434-I450 PolarHBondContact O-N 2.96Å; V436-I450 HydrophobicContact CG2-CB 4.47Å; V436-I450 HydrophobicContact CG2-CD1 3.7Å
451	E	96.4	Very high	97.3	Very high	57 Å²	57	35.6 Å²	35.6	27%	0.266	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-48.3	-170.4	-59.7	-63.1	167.7	0	0	112.6	K394 Y395 R417 R434 D449	K394-E451 VanDerWaalsContact NZ-CD 3.29Å; K394-E451 IonicContact NZ-OE1 3.2Å; K394-E451 PolarHBondContact NZ-OE1 2.94Å; K394-E451 IonicContact NZ-OE2 2.73Å; K394-E451 PolarHBondContact NZ-OE2 3.15Å; Y395-E451 PolarHBondContact OH-OE2 3.25Å; R417-E451 PolarHBondContact NE-O 2.75Å; R417-E451 PolarHBondContact NH1-O 2.65Å; R417-E451 PolarHBondContact NH2-O 3.24Å; R434-E451 HydrophobicContact CG-CG 4.37Å; D449-E451 VanDerWaalsContact C-N 3.28Å; D449-E451 PolarHBondContact O-N 2.85Å; D449-E451 WeakPolarHBondContact OD1-CA 3.29Å; D449-E451 WeakPolarHBondContact OD1-CB 3.36Å; D449-E451 PolarHBondContact OD1-N 2.78Å
452	C	95.4	Very high	97.2	Very high	86 Å²	86	34.8 Å²	34.8	58%	0.581	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.4	175.6	70.7	0	0	0	0	113	D449 A454	D449-C452 PolarHBondContact OD1-N 3.06Å; D449-C452 PolarHBondContact OD1-SG 2.94Å; D449-C452 VanDerWaalsContact OD1-SG 3.38Å; C452-A454 VanDerWaalsContact C-N 3.26Å; C452-A454 PolarHBondContact O-N 2.89Å; C452-A454 VanDerWaalsContact SG-CB 3.51Å
453	G	95.8	Very high	97.1	Very high	18 Å²	18	39.7 Å²	39.7	19%	0.186	23%	0.227	C	C	.	.			trans	74.3	10.2	-179.2	0	0	0	0	0	114.9	L419 D449	L419-G453 VanDerWaalsContact CD2-CA 3.45Å; D449-G453 WeakPolarHBondContact O-CA 3.19Å; D449-G453 PolarHBondContact O-N 2.8Å
454	A	96.6	Very high	97.1	Very high	44 Å²	44	42.1 Å²	42.1	36%	0.364	24%	0.238	S	C	.	.			trans	-71.7	139.4	-178.7	0	0	0	0	0	111.9	W448 D449 C452 L456	W448-A454 VanDerWaalsContact CA-O 3.28Å; W448-A454 WeakPolarHBondContact CA-O 3.3Å; D449-A454 PolarHBondContact N-O 2.82Å; C452-A454 VanDerWaalsContact C-N 3.26Å; C452-A454 PolarHBondContact O-N 2.89Å; C452-A454 VanDerWaalsContact SG-CB 3.51Å; A454-L456 PolarHBondContact O-N 2.99Å
455	C	97.3	Very high	97	Very high	51 Å²	51	43.1 Å²	43.1	35%	0.345	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	102.5	168.9	-168.2	0	0	0	0	108.6	R446 L447 W448	R446-C455 PolarHBondContact NH1-SG 3.2Å; R446-C455 VanDerWaalsContact NH1-SG 3.38Å; L447-C455 CarbonylContact O-C 3.54Å; W448-C455 HydrophobicContact CD2-CB 4.37Å; W448-C455 HydrophobicContact CE3-CB 3.68Å; W448-C455 HydrophobicContact CH2-CB 4.35Å; W448-C455 HydrophobicContact CZ3-CB 3.67Å
456	L	96.9	Very high	97	Very high	77 Å²	77	43.1 Å²	43.1	40%	0.403	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-39	-178.2	-60.6	176.6	0	0	0	112	L435 L447 D449 A454 L494	L435-L456 HydrophobicContact CD1-CD1 4.16Å; L447-L456 HydrophobicContact CB-CB 4.29Å; L447-L456 PolarHBondContact O-N 3.37Å; D449-L456 HydrophobicContact CB-CD1 4.26Å; D449-L456 HydrophobicContact CB-CD2 4.2Å; D449-L456 HydrophobicContact CB-CG 4.25Å; A454-L456 PolarHBondContact O-N 2.99Å; L456-L494 HydrophobicContact CD1-CD2 4.02Å
457	R	97.4	Very high	97	Very high	38 Å²	38	44.3 Å²	44.3	14%	0.143	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.9	178.9	-166.6	66.4	67.4	150.3	23.8	111.6	R446 L447 L459 A492 A493 D495 P496 A498 L503	R446-R457 WeakPolarHBondContact CA-O 3.27Å; L447-R457 HydrophobicContact CB-CB 4.18Å; L447-R457 HydrophobicContact CD1-CB 4.38Å; L447-R457 HydrophobicContact CD2-CB 4.33Å; L447-R457 PolarHBondContact N-O 3.3Å; L447-R457 PolarHBondContact O-N 3.09Å; R457-L459 HydrophobicContact CG-CD2 3.63Å; R457-L459 HydrophobicContact CG-CG 4.45Å; R457-A492 PolarHBondContact NH2-O 2.78Å; R457-A492 VanDerWaalsContact NH2-O 3.12Å; R457-A493 PolarHBondContact NE-O 3.09Å; R457-A493 PolarHBondContact NH2-O 3.09Å; R457-D495 PolarHBondContact NH2-O 2.95Å; R457-P496 PolarHBondContact NH1-O 3.39Å; R457-A498 PolarHBondContact NH1-O 2.74Å; R457-L503 HydrophobicContact CG-CD1 4.35Å
458	V	97.8	Very high	97	Very high	50 Å²	50	44.6 Å²	44.6	30%	0.303	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.4	159	-170.2	0	0	0	0	107.3	T444 I445 R446 E460	T444-V458 HydrophobicContact CG2-CG1 3.89Å; I445-V458 CarbonylContact O-C 3.53Å; I445-V458 WeakPolarHBondContact O-CA 3.45Å; R446-V458 HydrophobicContact CG-CG1 4.31Å; R446-V458 HydrophobicContact CG-CG2 4.24Å; V458-E460 HydrophobicContact CG1-CG 4.07Å
459	L	97.6	Very high	97	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.8	170.2	-45.8	174.7	0	0	0	108.1	T444 I445 L447 R457 I476 W488 A493 L503	T444-L459 WeakPolarHBondContact CA-O 3.5Å; I445-L459 HydrophobicContact CB-CB 4.13Å; I445-L459 HydrophobicContact CB-CD1 4.22Å; I445-L459 HydrophobicContact CB-CG 4.42Å; I445-L459 HydrophobicContact CG2-CD1 4.02Å; I445-L459 PolarHBondContact N-O 2.84Å; I445-L459 PolarHBondContact O-N 3.38Å; L447-L459 HydrophobicContact CD1-CD1 3.98Å; L447-L459 HydrophobicContact CD1-CG 4.15Å; R457-L459 HydrophobicContact CG-CD2 3.63Å; R457-L459 HydrophobicContact CG-CG 4.45Å; L459-I476 HydrophobicContact CD1-CD1 4.02Å; L459-W488 HydrophobicContact CB-CD2 4.49Å; L459-W488 HydrophobicContact CB-CE3 4.09Å; L459-W488 HydrophobicContact CB-CH2 4.14Å; L459-W488 HydrophobicContact CB-CZ3 3.9Å; L459-W488 HydrophobicContact CD1-CB 4.31Å; L459-W488 HydrophobicContact CD1-CD2 3.9Å; L459-W488 HydrophobicContact CD1-CE3 4.04Å; L459-W488 HydrophobicContact CD1-CG 4.02Å; L459-W488 HydrophobicContact CD2-CE3 4.48Å; L459-W488 HydrophobicContact CG-CE3 4.44Å; L459-A493 HydrophobicContact CD2-CB 4.11Å; L459-L503 HydrophobicContact CD2-CB 4.24Å; L459-L503 HydrophobicContact CD2-CD1 3.48Å; L459-L503 VanDerWaalsContact CD2-CD1 3.48Å; L459-L503 HydrophobicContact CD2-CG 4.46Å
460	E	95.9	Very high	97	Very high	133 Å²	133	45.6 Å²	45.6	62%	0.621	25%	0.251	S	S	*	.			trans	-120.3	151.7	178.8	-56.6	-168.4	147.3	0	0	109.2	T444 V458 W488	T444-E460 HydrophobicContact CG2-CG 4.07Å; V458-E460 HydrophobicContact CG1-CG 4.07Å; E460-W488 WeakPolarHBondContact O-CH2 3.26Å
461	G	93.3	Very high	97	Very high	42 Å²	42	46.1 Å²	46.1	43%	0.433	25%	0.253	S	S	.	.			trans	130.1	0.4	179.4	0	0	0	0	0	115.8	K486	G461-K486 WeakPolarHBondContact O-CE 3.43Å; G461-K486 PolarHBondContact O-NZ 3.19Å
462	H	96.6	Very high	96.9	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	25%	0.247	C	C	.	.			trans	-78.6	141.2	155.3	-80.4	-64.6	0	0	0	109.3	V466 S478 K486 W488	H462-V466 HydrophobicContact CB-CG2 4.01Å; H462-S478 PolarHBondContact NE2-OG 2.78Å; H462-K486 WeakPolarHBondContact ND1-CD 3.3Å; H462-K486 WeakPolarHBondContact ND1-CE 3.46Å; H462-W488 AromaticContact CD2-CZ2 3.99Å
463	E	96.1	Very high	96.8	Very high	123 Å²	123	45.4 Å²	45.4	58%	0.575	25%	0.246	S	C	*	.	S	Bend	trans	-89.6	-14.6	-179.8	-70.4	148.4	-116.7	0	0	112.3	N443 K484	N443-E463 PolarHBondContact ND2-O 3.02Å; E463-K484 WeakPolarHBondContact OE1-CE 3.47Å; E463-K484 IonicContact OE1-NZ 2.7Å; E463-K484 PolarHBondContact OE1-NZ 2.81Å; E463-K484 IonicContact OE2-NZ 2.71Å; E463-K484 PolarHBondContact OE2-NZ 3Å
464	E	97.7	Very high	96.6	Very high	93 Å²	93	46.9 Å²	46.9	44%	0.435	25%	0.247	S	C	.	.	S	Bend	trans	-139.9	175	-172.5	-91	-65.6	171.1	0	0	112.2	N443 V466 D482	N443-E464 PolarHBondContact ND2-N 3.45Å; N443-E464 VanDerWaalsContact OD1-C 3.23Å; N443-E464 PolarHBondContact OD1-O 3.38Å; E464-V466 PolarHBondContact O-N 2.88Å; E464-D482 HydrophobicContact CB-CB 3.97Å; E464-D482 HydrophobicContact CG-CB 4.09Å
465	L	97.8	Very high	96.6	Very high	26 Å²	26	45 Å²	45	14%	0.136	23%	0.23	C	C	.	.			trans	-50.6	123	178.6	-179.8	159.2	0	0	0	111.9	A427 S441 N443 R467 A480 Y481	A427-L465 HydrophobicContact CB-CD2 3.86Å; A427-L465 HydrophobicContact CB-CG 4.48Å; S441-L465 WeakPolarHBondContact OG-CD1 3.26Å; N443-L465 PolarHBondContact OD1-N 2.82Å; L465-R467 HydrophobicContact CD2-CB 3.82Å; L465-R467 PolarHBondContact O-N 2.56Å; L465-A480 CarbonylContact O-C 3.48Å; L465-A480 VanDerWaalsContact O-CA 3.28Å; L465-A480 WeakPolarHBondContact O-CA 3.47Å; L465-A480 WeakPolarHBondContact O-CB 3.43Å; L465-Y481 HydrophobicContact CB-CD2 3.88Å; L465-Y481 HydrophobicContact CB-CE2 4.4Å; L465-Y481 HydrophobicContact CB-CG 4.09Å; L465-Y481 HydrophobicContact CD1-CD2 4.18Å; L465-Y481 HydrophobicContact CD1-CE2 3.86Å; L465-Y481 HydrophobicContact CD2-CD1 4.03Å; L465-Y481 HydrophobicContact CD2-CD2 4.17Å; L465-Y481 HydrophobicContact CD2-CE1 3.95Å; L465-Y481 HydrophobicContact CD2-CE2 4.06Å; L465-Y481 HydrophobicContact CD2-CG 4.16Å; L465-Y481 HydrophobicContact CG-CD2 4.31Å; L465-Y481 HydrophobicContact CG-CE2 4.35Å; L465-Y481 PolarHBondContact O-N 3.23Å
466	V	98.5	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	108.1	175.9	-170.1	0	0	0	0	108.9	C428 S440 I445 H462 E464	C428-V466 PolarHBondContact SG-O 3.04Å; S440-V466 PolarHBondContact O-N 2.92Å; I445-V466 HydrophobicContact CD1-CG1 4.23Å; I445-V466 HydrophobicContact CG1-CG1 3.96Å; I445-V466 HydrophobicContact CG1-CG2 4.23Å; H462-V466 HydrophobicContact CB-CG2 4.01Å; E464-V466 PolarHBondContact O-N 2.88Å
467	R	98.1	Very high	96.7	Very high	56 Å²	56	38.9 Å²	38.9	21%	0.211	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-30.6	-165.8	173.9	60.5	-170.2	102.6	-5.9	113.9	A427 C428 L465 G479 Y481 V515 F516	A427-R467 PolarHBondContact O-NH1 2.82Å; C428-R467 VanDerWaalsContact CB-O 3.31Å; C428-R467 WeakPolarHBondContact CB-O 3.34Å; L465-R467 HydrophobicContact CD2-CB 3.82Å; L465-R467 PolarHBondContact O-N 2.56Å; R467-G479 PolarHBondContact N-O 3.02Å; R467-Y481 HydrophobicContact CB-CD1 3.78Å; R467-Y481 HydrophobicContact CB-CE1 3.73Å; R467-Y481 HydrophobicContact CG-CD1 4.15Å; R467-Y481 HydrophobicContact CG-CE1 3.64Å; R467-V515 VanDerWaalsContact CB-O 3.32Å; R467-V515 WeakPolarHBondContact CB-O 3.44Å; R467-V515 WeakPolarHBondContact CG-O 3.46Å; R467-F516 HydrophobicContact CG-CD1 4.23Å
468	C	97.6	Very high	96.8	Very high	5 Å²	5	37 Å²	37	3%	0.034	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.2	178.5	57	0	0	0	0	111	S478 G479 F516	C468-S478 WeakPolarHBondContact O-CA 3.31Å; C468-G479 PolarHBondContact N-O 3.29Å; C468-G479 VanDerWaalsContact N-O 3.17Å; C468-G479 PolarHBondContact O-N 2.96Å; C468-F516 WeakPolarHBondContact CB-O 3.49Å
469	I	98.4	Very high	96.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	140.7	-178.1	-161.8	153.3	0	0	0	111.2	C428 V437 I445 I476 V477	C428-I469 HydrophobicContact CB-CG2 3.94Å; C428-I469 VanDerWaalsContact SG-CG2 3.59Å; V437-I469 HydrophobicContact CG1-CD1 3.64Å; V437-I469 HydrophobicContact CG1-CG1 4.22Å; I445-I469 HydrophobicContact CB-CD1 4.26Å; I445-I469 HydrophobicContact CD1-CD1 3.75Å; I445-I469 HydrophobicContact CG1-CD1 3.77Å; I445-I469 HydrophobicContact CG2-CD1 3.49Å; I445-I469 VanDerWaalsContact CG2-CD1 3.49Å; I469-I476 HydrophobicContact CD1-CG2 3.81Å; I469-I476 HydrophobicContact CG1-CG2 3.75Å; I469-V477 WeakPolarHBondContact CA-O 3.12Å
470	R	98.3	Very high	96.8	Very high	40 Å²	40	34.5 Å²	34.5	15%	0.151	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.9	168.9	-71.7	-64.3	173.6	-119.9	29.8	110.5	L429 I476 V477 L518 F520	L429-R470 PolarHBondContact O-NH1 2.87Å; L429-R470 VanDerWaalsContact O-NH1 3.08Å; R470-I476 WeakPolarHBondContact O-CA 3.29Å; R470-V477 PolarHBondContact N-O 3Å; R470-V477 PolarHBondContact O-N 3.43Å; R470-L518 HydrophobicContact CB-CD1 4Å; R470-L518 HydrophobicContact CG-CD1 4.15Å; R470-F520 HydrophobicContact CB-CD1 3.84Å; R470-F520 HydrophobicContact CB-CE1 3.7Å
471	F	97.7	Very high	96.9	Very high	10 Å²	10	31.6 Å²	31.6	4%	0.044	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146	172.7	71.3	-84.7	0	0	0	112.5	Q430 R432 L435 V437 R475 I476 L490	Q430-F471 HydrophobicContact CB-CD1 3.91Å; Q430-F471 HydrophobicContact CB-CE1 3.73Å; Q430-F471 HydrophobicContact CG-CD1 3.98Å; Q430-F471 HydrophobicContact CG-CE1 3.64Å; Q430-F471 PolarHBondContact NE2-O 3.17Å; R432-F471 HydrophobicContact CB-CE2 4.12Å; R432-F471 HydrophobicContact CB-CZ 3.7Å; L435-F471 HydrophobicContact CB-CE2 4.41Å; L435-F471 HydrophobicContact CB-CZ 4.25Å; L435-F471 HydrophobicContact CD2-CD2 4.23Å; L435-F471 HydrophobicContact CD2-CE2 3.8Å; L435-F471 HydrophobicContact CD2-CZ 4.12Å; L435-F471 HydrophobicContact CG-CE2 4.41Å; L435-F471 HydrophobicContact CG-CZ 4.28Å; V437-F471 HydrophobicContact CB-CD1 3.88Å; V437-F471 HydrophobicContact CB-CE1 4.02Å; V437-F471 HydrophobicContact CG2-CD1 3.5Å; V437-F471 HydrophobicContact CG2-CE1 3.54Å; V437-F471 HydrophobicContact CG2-CG 4.02Å; V437-F471 HydrophobicContact CG2-CZ 4.1Å; F471-R475 VanDerWaalsContact CA-O 3.3Å; F471-R475 WeakPolarHBondContact CA-O 3.33Å; F471-R475 WeakPolarHBondContact CB-O 3.12Å; F471-I476 HydrophobicContact CB-CB 4.38Å; F471-I476 HydrophobicContact CB-CG1 3.94Å; F471-I476 HydrophobicContact CB-CG2 4.5Å; F471-L490 HydrophobicContact CD2-CD2 4.03Å
472	D	94.9	Very high	96.9	Very high	26 Å²	26	31.5 Å²	31.5	14%	0.139	15%	0.146	C	C	.	.			trans	-106	-149.7	172.8	66.4	13.4	0	0	0	109.4	R432 K474 R475 L490 F520	R432-D472 PolarHBondContact NH2-O 2.84Å; D472-K474 WeakPolarHBondContact OD1-CA 3.46Å; D472-K474 PolarHBondContact OD1-N 2.9Å; D472-R475 PolarHBondContact N-O 2.88Å; D472-R475 VanDerWaalsContact N-O 3.11Å; D472-R475 PolarHBondContact OD1-N 3.15Å; D472-R475 IonicContact OD2-CZ 2.73Å; D472-R475 IonicContact OD2-NE 3.85Å; D472-R475 PolarHBondContact OD2-NE 2.62Å; D472-R475 IonicContact OD2-NH2 3.53Å; D472-R475 PolarHBondContact OD2-NH2 3.04Å; D472-L490 VanDerWaalsContact O-CD2 3.25Å; D472-L490 WeakPolarHBondContact O-CD2 3.39Å; D472-F520 HydrophobicContact CB-CE2 4.12Å; D472-F520 HydrophobicContact CB-CZ 3.96Å; D472-F520 WeakPolarHBondContact OD2-CE2 3.46Å
473	N	91.8	Very high	96.8	Very high	103 Å²	103	31 Å²	31	55%	0.551	14%	0.144	S	C	*	.	S	Bend	trans	-88.2	-1.6	176.1	-71.3	-27.5	0	0	0	114.6	R432 Q491	R432-N473 PolarHBondContact NH1-OD1 2.78Å; R432-N473 PolarHBondContact NH2-OD1 3.06Å; N473-Q491 PolarHBondContact O-NE2 3.25Å
474	K	92.8	Very high	96.8	Very high	48 Å²	48	26.8 Å²	26.8	21%	0.209	12%	0.124	C	C	.	.	S	Bend	trans	-129.7	-36.4	-168.8	-58	174.2	-180	178.5	0	113.2	E240 D472 L490 E522	E240-K474 WeakPolarHBondContact OE1-CD 3.39Å; E240-K474 WeakPolarHBondContact OE1-CE 3.41Å; E240-K474 IonicContact OE1-NZ 3.57Å; E240-K474 PolarHBondContact OE1-NZ 2.84Å; D472-K474 WeakPolarHBondContact OD1-CA 3.46Å; D472-K474 PolarHBondContact OD1-N 2.9Å; K474-L490 WeakPolarHBondContact O-CB 3.34Å; K474-L490 PolarHBondContact O-N 3.44Å; K474-E522 VanDerWaalsContact CE-OE1 3.23Å; K474-E522 WeakPolarHBondContact CE-OE1 3.27Å; K474-E522 VanDerWaalsContact NZ-CD 3.28Å; K474-E522 IonicContact NZ-OE1 3.19Å; K474-E522 PolarHBondContact NZ-OE1 3.09Å; K474-E522 IonicContact NZ-OE2 3.06Å; K474-E522 PolarHBondContact NZ-OE2 3.48Å
475	R	96.1	Very high	96.9	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.1	-161.7	-66.5	163.7	-62.9	-132	4.3	111.4	E240 F471 D472 V487 W488 F520 E522	E240-R475 VanDerWaalsContact CD-NH1 3.32Å; E240-R475 IonicContact OE1-NH1 2.89Å; E240-R475 PolarHBondContact OE1-NH1 2.89Å; E240-R475 VanDerWaalsContact OE1-NH1 3.11Å; E240-R475 IonicContact OE2-NH1 2.74Å; E240-R475 PolarHBondContact OE2-NH1 2.93Å; F471-R475 VanDerWaalsContact CA-O 3.3Å; F471-R475 WeakPolarHBondContact CA-O 3.33Å; F471-R475 WeakPolarHBondContact CB-O 3.12Å; D472-R475 PolarHBondContact N-O 2.88Å; D472-R475 VanDerWaalsContact N-O 3.11Å; D472-R475 PolarHBondContact OD1-N 3.15Å; D472-R475 IonicContact OD2-CZ 2.73Å; D472-R475 IonicContact OD2-NE 3.85Å; D472-R475 PolarHBondContact OD2-NE 2.62Å; D472-R475 IonicContact OD2-NH2 3.53Å; D472-R475 PolarHBondContact OD2-NH2 3.04Å; R475-V487 HydrophobicContact CB-CG1 4.4Å; R475-V487 HydrophobicContact CG-CG1 4.35Å; R475-W488 CarbonylContact C-O 3.58Å; R475-W488 WeakPolarHBondContact CA-O 3.43Å; R475-F520 HydrophobicContact CB-CE2 4.39Å; R475-E522 IonicContact CZ-OE2 2.78Å; R475-E522 IonicContact NH1-OE2 3.96Å; R475-E522 IonicContact NH2-OE1 3.55Å; R475-E522 IonicContact NH2-OE2 3.57Å; R475-E522 PolarHBondContact NH2-OE2 3.06Å
476	I	98.3	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.7	164.9	-54.1	169	0	0	0	107.2	V437 L447 L459 I469 R470 F471 V487 W488 L490	V437-I476 HydrophobicContact CG1-CD1 4.23Å; V437-I476 HydrophobicContact CG1-CG2 4.21Å; L447-I476 HydrophobicContact CD1-CD1 3.85Å; L447-I476 HydrophobicContact CD2-CD1 4.36Å; L447-I476 HydrophobicContact CG-CD1 4.37Å; L459-I476 HydrophobicContact CD1-CD1 4.02Å; I469-I476 HydrophobicContact CD1-CG2 3.81Å; I469-I476 HydrophobicContact CG1-CG2 3.75Å; R470-I476 WeakPolarHBondContact O-CA 3.29Å; F471-I476 HydrophobicContact CB-CB 4.38Å; F471-I476 HydrophobicContact CB-CG1 3.94Å; F471-I476 HydrophobicContact CB-CG2 4.5Å; I476-V487 CarbonylContact O-C 3.43Å; I476-V487 WeakPolarHBondContact O-CA 3.3Å; I476-W488 HydrophobicContact CB-CB 4.21Å; I476-W488 PolarHBondContact N-O 3.05Å; I476-W488 PolarHBondContact O-N 2.96Å; I476-L490 HydrophobicContact CD1-CD1 3.9Å; I476-L490 HydrophobicContact CG1-CB 4.3Å; I476-L490 HydrophobicContact CG1-CD1 3.93Å
477	V	98.5	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.1	173.9	-175	0	0	0	0	108.8	W243 I469 R470 I485 V487 L518 F520 I525	W243-V477 HydrophobicContact CZ3-CG2 4.2Å; I469-V477 WeakPolarHBondContact CA-O 3.12Å; R470-V477 PolarHBondContact N-O 3Å; R470-V477 PolarHBondContact O-N 3.43Å; V477-I485 HydrophobicContact CG1-CG2 3.69Å; V477-V487 HydrophobicContact CG2-CG1 4.41Å; V477-V487 HydrophobicContact CG2-CG2 4.33Å; V477-L518 HydrophobicContact CB-CD1 3.99Å; V477-L518 HydrophobicContact CG1-CD1 3.78Å; V477-L518 HydrophobicContact CG1-CD2 3.84Å; V477-L518 HydrophobicContact CG1-CG 4.46Å; V477-F520 HydrophobicContact CB-CD1 3.75Å; V477-F520 HydrophobicContact CB-CE1 3.8Å; V477-F520 HydrophobicContact CB-CG 4.23Å; V477-F520 HydrophobicContact CB-CZ 4.29Å; V477-F520 HydrophobicContact CG2-CD1 3.68Å; V477-F520 HydrophobicContact CG2-CD2 3.76Å; V477-F520 HydrophobicContact CG2-CE1 3.62Å; V477-F520 HydrophobicContact CG2-CE2 3.69Å; V477-F520 HydrophobicContact CG2-CG 3.75Å; V477-F520 HydrophobicContact CG2-CZ 3.63Å; V477-I525 HydrophobicContact CG1-CD1 3.91Å; V477-I525 HydrophobicContact CG1-CG1 4.27Å; V477-I525 HydrophobicContact CG1-CG2 4.44Å
478	S	98.4	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.2	-169.4	58.4	0	0	0	0	112	I445 H462 C468 I485 K486 W488	I445-S478 WeakPolarHBondContact CD1-OG 3.45Å; H462-S478 PolarHBondContact NE2-OG 2.78Å; C468-S478 WeakPolarHBondContact O-CA 3.31Å; S478-I485 CarbonylContact O-C 3.54Å; S478-I485 VanDerWaalsContact O-CA 3.28Å; S478-I485 WeakPolarHBondContact O-CA 3.38Å; S478-K486 PolarHBondContact N-O 2.87Å; S478-K486 PolarHBondContact O-N 2.86Å; S478-K486 PolarHBondContact OG-O 3.14Å; S478-W488 PolarHBondContact OG-NE1 3.42Å
479	G	98.3	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.7	178.2	0	0	0	0	0	111.8	R467 C468	R467-G479 PolarHBondContact N-O 3.02Å; C468-G479 PolarHBondContact N-O 3.29Å; C468-G479 VanDerWaalsContact N-O 3.17Å; C468-G479 PolarHBondContact O-N 2.96Å
480	A	98.2	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	172.8	-176	0	0	0	0	0	113.5	L465 D482 G483 K484 V515	L465-A480 CarbonylContact O-C 3.48Å; L465-A480 VanDerWaalsContact O-CA 3.28Å; L465-A480 WeakPolarHBondContact O-CA 3.47Å; L465-A480 WeakPolarHBondContact O-CB 3.43Å; A480-D482 WeakPolarHBondContact CB-OD1 3.48Å; A480-D482 PolarHBondContact O-N 3.25Å; A480-G483 PolarHBondContact O-N 2.72Å; A480-K484 PolarHBondContact N-O 3.29Å; A480-K484 VanDerWaalsContact N-O 3.12Å; A480-V515 PolarHBondContact O-N 2.85Å
481	Y	97.3	Very high	96.6	Very high	72 Å²	72	25.5 Å²	25.5	28%	0.282	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.1	-179.5	-89.4	11.5	0	0	0	114.8	L465 R467 G483 R514 F516	L465-Y481 HydrophobicContact CB-CD2 3.88Å; L465-Y481 HydrophobicContact CB-CE2 4.4Å; L465-Y481 HydrophobicContact CB-CG 4.09Å; L465-Y481 HydrophobicContact CD1-CD2 4.18Å; L465-Y481 HydrophobicContact CD1-CE2 3.86Å; L465-Y481 HydrophobicContact CD2-CD1 4.03Å; L465-Y481 HydrophobicContact CD2-CD2 4.17Å; L465-Y481 HydrophobicContact CD2-CE1 3.95Å; L465-Y481 HydrophobicContact CD2-CE2 4.06Å; L465-Y481 HydrophobicContact CD2-CG 4.16Å; L465-Y481 HydrophobicContact CG-CD2 4.31Å; L465-Y481 HydrophobicContact CG-CE2 4.35Å; L465-Y481 PolarHBondContact O-N 3.23Å; R467-Y481 HydrophobicContact CB-CD1 3.78Å; R467-Y481 HydrophobicContact CB-CE1 3.73Å; R467-Y481 HydrophobicContact CG-CD1 4.15Å; R467-Y481 HydrophobicContact CG-CE1 3.64Å; Y481-G483 VanDerWaalsContact C-N 3.27Å; Y481-R514 HydrophobicContact CD1-CB 3.65Å; Y481-R514 HydrophobicContact CD1-CG 3.71Å; Y481-R514 HydrophobicContact CD2-CG 4.4Å; Y481-R514 HydrophobicContact CE1-CB 4.07Å; Y481-R514 HydrophobicContact CE1-CG 4.24Å; Y481-R514 HydrophobicContact CG-CB 4.23Å; Y481-R514 HydrophobicContact CG-CG 3.78Å; Y481-R514 WeakPolarHBondContact O-CG 3.46Å; Y481-F516 HydrophobicContact CE1-CE1 4.33Å
482	D	93.3	Very high	96.4	Very high	40 Å²	40	26 Å²	26	21%	0.214	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4.6	172.2	63.9	-4.2	0	0	0	113.7	E464 A480 K484	E464-D482 HydrophobicContact CB-CB 3.97Å; E464-D482 HydrophobicContact CG-CB 4.09Å; A480-D482 WeakPolarHBondContact CB-OD1 3.48Å; A480-D482 PolarHBondContact O-N 3.25Å; D482-K484 HydrophobicContact CB-CG 4.4Å; D482-K484 PolarHBondContact O-N 3.22Å; D482-K484 WeakPolarHBondContact OD1-CB 3.43Å; D482-K484 PolarHBondContact OD1-N 2.57Å; D482-K484 WeakPolarHBondContact OD2-CD 3.3Å; D482-K484 WeakPolarHBondContact OD2-CG 3.29Å; D482-K484 IonicContact OD2-NZ 3.09Å; D482-K484 PolarHBondContact OD2-NZ 3.38Å
483	G	94.3	Very high	96.5	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	78.7	-2.4	-177.6	0	0	0	0	0	114.5	A480 Y481 G513	A480-G483 PolarHBondContact O-N 2.72Å; Y481-G483 VanDerWaalsContact C-N 3.27Å; G483-G513 WeakPolarHBondContact CA-O 3.35Å
484	K	97.2	Very high	96.6	Very high	35 Å²	35	23.3 Å²	23.3	15%	0.152	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.4	-179.2	-51.9	-169.8	-166.5	87.3	0	110.8	E463 A480 D482 T507 V509	E463-K484 WeakPolarHBondContact OE1-CE 3.47Å; E463-K484 IonicContact OE1-NZ 2.7Å; E463-K484 PolarHBondContact OE1-NZ 2.81Å; E463-K484 IonicContact OE2-NZ 2.71Å; E463-K484 PolarHBondContact OE2-NZ 3Å; A480-K484 PolarHBondContact N-O 3.29Å; A480-K484 VanDerWaalsContact N-O 3.12Å; D482-K484 HydrophobicContact CB-CG 4.4Å; D482-K484 PolarHBondContact O-N 3.22Å; D482-K484 WeakPolarHBondContact OD1-CB 3.43Å; D482-K484 PolarHBondContact OD1-N 2.57Å; D482-K484 WeakPolarHBondContact OD2-CD 3.3Å; D482-K484 WeakPolarHBondContact OD2-CG 3.29Å; D482-K484 IonicContact OD2-NZ 3.09Å; D482-K484 PolarHBondContact OD2-NZ 3.38Å; K484-T507 HydrophobicContact CB-CG2 3.89Å; K484-T507 HydrophobicContact CD-CG2 3.81Å; K484-T507 HydrophobicContact CG-CG2 4.3Å; K484-V509 HydrophobicContact CB-CG2 4.42Å; K484-V509 HydrophobicContact CD-CG2 4.21Å; K484-V509 HydrophobicContact CG-CG1 4.44Å; K484-V509 HydrophobicContact CG-CG2 3.98Å
485	I	98.2	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.4	167.7	-62.2	177.6	0	0	0	108	V477 S478 T507 L508 V515 L518 S527 W537	V477-I485 HydrophobicContact CG1-CG2 3.69Å; S478-I485 CarbonylContact O-C 3.54Å; S478-I485 VanDerWaalsContact O-CA 3.28Å; S478-I485 WeakPolarHBondContact O-CA 3.38Å; I485-T507 CarbonylContact O-C 3.59Å; I485-T507 WeakPolarHBondContact O-CA 3.35Å; I485-L508 HydrophobicContact CB-CB 4.35Å; I485-L508 PolarHBondContact N-O 2.99Å; I485-L508 PolarHBondContact O-N 3.01Å; I485-V515 HydrophobicContact CD1-CG1 4.32Å; I485-V515 HydrophobicContact CG1-CG1 4.35Å; I485-V515 HydrophobicContact CG1-CG2 4.07Å; I485-L518 HydrophobicContact CG2-CD2 4.27Å; I485-S527 WeakPolarHBondContact CD1-OG 3.32Å; I485-W537 HydrophobicContact CD1-CZ2 3.93Å
486	K	98.1	Very high	96.5	Very high	15 Å²	15	28.3 Å²	28.3	7%	0.065	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.8	176.1	-66.3	-178.1	-168	-95.9	0	111	G461 H462 S478 W488 R506 T507	G461-K486 WeakPolarHBondContact O-CE 3.43Å; G461-K486 PolarHBondContact O-NZ 3.19Å; H462-K486 WeakPolarHBondContact ND1-CD 3.3Å; H462-K486 WeakPolarHBondContact ND1-CE 3.46Å; S478-K486 PolarHBondContact N-O 2.87Å; S478-K486 PolarHBondContact O-N 2.86Å; S478-K486 PolarHBondContact OG-O 3.14Å; K486-W488 HydrophobicContact CB-CZ2 3.99Å; K486-W488 HydrophobicContact CD-CH2 4.27Å; K486-W488 HydrophobicContact CD-CZ2 3.74Å; K486-W488 HydrophobicContact CG-CZ2 4.5Å; K486-R506 WeakPolarHBondContact CA-O 3.49Å; K486-T507 HydrophobicContact CG-CG2 3.97Å; K486-T507 PolarHBondContact NZ-OG1 2.98Å
487	V	98.1	Very high	96.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.5	172.5	-173.5	0	0	0	0	107.6	W243 R475 I476 V477 L505 R506 L508 I525	W243-V487 HydrophobicContact CE3-CG1 4.07Å; W243-V487 HydrophobicContact CE3-CG2 4.36Å; W243-V487 HydrophobicContact CZ3-CG1 4.2Å; W243-V487 HydrophobicContact CZ3-CG2 4.16Å; R475-V487 HydrophobicContact CB-CG1 4.4Å; R475-V487 HydrophobicContact CG-CG1 4.35Å; I476-V487 CarbonylContact O-C 3.43Å; I476-V487 WeakPolarHBondContact O-CA 3.3Å; V477-V487 HydrophobicContact CG2-CG1 4.41Å; V477-V487 HydrophobicContact CG2-CG2 4.33Å; V487-L505 HydrophobicContact CG1-CD1 4.4Å; V487-L505 PolarHBondContact O-N 3.03Å; V487-R506 PolarHBondContact N-O 2.86Å; V487-R506 PolarHBondContact O-N 2.89Å; V487-L508 HydrophobicContact CG2-CD1 4.26Å; V487-I525 HydrophobicContact CG2-CD1 4.38Å
488	W	97.9	Very high	96.2	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.4	-179.3	-44.3	78.7	0	0	0	110.6	I445 L459 E460 H462 R475 I476 S478 K486 L503 C504	I445-W488 HydrophobicContact CD1-CZ2 4.13Å; L459-W488 HydrophobicContact CB-CD2 4.49Å; L459-W488 HydrophobicContact CB-CE3 4.09Å; L459-W488 HydrophobicContact CB-CH2 4.14Å; L459-W488 HydrophobicContact CB-CZ3 3.9Å; L459-W488 HydrophobicContact CD1-CB 4.31Å; L459-W488 HydrophobicContact CD1-CD2 3.9Å; L459-W488 HydrophobicContact CD1-CE3 4.04Å; L459-W488 HydrophobicContact CD1-CG 4.02Å; L459-W488 HydrophobicContact CD2-CE3 4.48Å; L459-W488 HydrophobicContact CG-CE3 4.44Å; E460-W488 WeakPolarHBondContact O-CH2 3.26Å; H462-W488 AromaticContact CD2-CZ2 3.99Å; R475-W488 CarbonylContact C-O 3.58Å; R475-W488 WeakPolarHBondContact CA-O 3.43Å; I476-W488 HydrophobicContact CB-CB 4.21Å; I476-W488 PolarHBondContact N-O 3.05Å; I476-W488 PolarHBondContact O-N 2.96Å; S478-W488 PolarHBondContact OG-NE1 3.42Å; K486-W488 HydrophobicContact CB-CZ2 3.99Å; K486-W488 HydrophobicContact CD-CH2 4.27Å; K486-W488 HydrophobicContact CD-CZ2 3.74Å; K486-W488 HydrophobicContact CG-CZ2 4.5Å; W488-L503 CarbonylContact C-O 3.59Å; W488-L503 WeakPolarHBondContact CA-O 3.28Å; W488-L503 WeakPolarHBondContact CB-O 3.24Å; W488-L503 HydrophobicContact CE3-CB 4.22Å; W488-C504 HydrophobicContact CD2-CB 4.4Å; W488-C504 HydrophobicContact CE3-CB 3.7Å; W488-C504 HydrophobicContact CH2-CB 4.34Å; W488-C504 HydrophobicContact CZ3-CB 3.67Å
489	D	96.8	Very high	96	Very high	37 Å²	37	42.6 Å²	42.6	20%	0.198	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.3	172	-171.4	-49.5	0	0	0	110.1	Q491 A492 A493 L503 L505	D489-Q491 PolarHBondContact OD1-N 3.22Å; D489-A492 HydrophobicContact CB-CB 3.95Å; D489-A492 PolarHBondContact OD1-N 3.09Å; D489-A493 WeakPolarHBondContact O-CB 3.18Å; D489-A493 PolarHBondContact O-N 2.98Å; D489-L503 PolarHBondContact N-O 2.99Å; D489-L505 HydrophobicContact CB-CD1 4.08Å; D489-L505 HydrophobicContact CB-CD2 4.14Å; D489-L505 HydrophobicContact CB-CG 4.05Å
490	L	96.5	Very high	95.7	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-37.4	-178.5	178.1	60.1	0	0	0	111.9	L435 L447 F471 D472 K474 I476 A493 L494	L435-L490 HydrophobicContact CD2-CD1 3.77Å; L447-L490 HydrophobicContact CD2-CD1 4.12Å; F471-L490 HydrophobicContact CD2-CD2 4.03Å; D472-L490 VanDerWaalsContact O-CD2 3.25Å; D472-L490 WeakPolarHBondContact O-CD2 3.39Å; K474-L490 WeakPolarHBondContact O-CB 3.34Å; K474-L490 PolarHBondContact O-N 3.44Å; I476-L490 HydrophobicContact CD1-CD1 3.9Å; I476-L490 HydrophobicContact CG1-CB 4.3Å; I476-L490 HydrophobicContact CG1-CD1 3.93Å; L490-A493 PolarHBondContact O-N 3.35Å; L490-L494 HydrophobicContact CD1-CD1 4.06Å; L490-L494 HydrophobicContact CD1-CG 4.23Å; L490-L494 HydrophobicContact CG-CD1 4.04Å; L490-L494 VanDerWaalsContact O-CG 3.29Å; L490-L494 WeakPolarHBondContact O-CG 3.36Å; L490-L494 PolarHBondContact O-N 2.87Å
491	Q	94.8	Very high	95.3	Very high	128 Å²	128	51.5 Å²	51.5	60%	0.598	28%	0.282	S	S	*	.	H	α-helix	trans	-72.1	-42.6	-175.8	-61	-174.5	0.7	0	0	110.2	N473 D489 L494 D495	N473-Q491 PolarHBondContact O-NE2 3.25Å; D489-Q491 PolarHBondContact OD1-N 3.22Å; Q491-L494 PolarHBondContact O-N 2.99Å; Q491-D495 PolarHBondContact O-N 3.49Å
492	A	95.2	Very high	95	Very high	21 Å²	21	51.7 Å²	51.7	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-37.7	170	0	0	0	0	0	111.9	R457 D489 L494 D495 A498 L503	R457-A492 PolarHBondContact NH2-O 2.78Å; R457-A492 VanDerWaalsContact NH2-O 3.12Å; D489-A492 HydrophobicContact CB-CB 3.95Å; D489-A492 PolarHBondContact OD1-N 3.09Å; A492-L494 PolarHBondContact O-N 3.11Å; A492-D495 PolarHBondContact O-N 3.16Å; A492-A498 HydrophobicContact CB-CB 4.11Å; A492-A498 WeakPolarHBondContact O-CB 3.46Å; A492-L503 VanDerWaalsContact C-CD2 3.46Å; A492-L503 HydrophobicContact CB-CD2 3.68Å; A492-L503 WeakPolarHBondContact O-CD2 3.41Å
493	A	95.5	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-33.3	175.3	0	0	0	0	0	112.3	L447 R457 L459 D489 L490	L447-A493 HydrophobicContact CD2-CB 3.75Å; R457-A493 PolarHBondContact NE-O 3.09Å; R457-A493 PolarHBondContact NH2-O 3.09Å; L459-A493 HydrophobicContact CD2-CB 4.11Å; D489-A493 WeakPolarHBondContact O-CB 3.18Å; D489-A493 PolarHBondContact O-N 2.98Å; L490-A493 PolarHBondContact O-N 3.35Å
494	L	95	Very high	95.1	Very high	73 Å²	73	52 Å²	52	38%	0.382	30%	0.295	S	S	.	.	H	α-helix	trans	-79.5	-34.1	178	-71.2	168.9	0	0	0	114.2	L435 L447 L456 L490 Q491 A492 P496	L435-L494 HydrophobicContact CD1-CD2 4.15Å; L447-L494 HydrophobicContact CD2-CD2 3.98Å; L447-L494 HydrophobicContact CD2-CG 4.24Å; L456-L494 HydrophobicContact CD1-CD2 4.02Å; L490-L494 HydrophobicContact CD1-CD1 4.06Å; L490-L494 HydrophobicContact CD1-CG 4.23Å; L490-L494 HydrophobicContact CG-CD1 4.04Å; L490-L494 VanDerWaalsContact O-CG 3.29Å; L490-L494 WeakPolarHBondContact O-CG 3.36Å; L490-L494 PolarHBondContact O-N 2.87Å; Q491-L494 PolarHBondContact O-N 2.99Å; A492-L494 PolarHBondContact O-N 3.11Å; L494-P496 WeakPolarHBondContact O-CD 3.35Å
495	D	94.7	Very high	95	Very high	50 Å²	50	52.3 Å²	52.3	27%	0.267	30%	0.298	S	S	.	.	S	Bend	trans	-75.8	108.6	176.4	-179.6	-10.3	0	0	0	111.7	R457 Q491 A492 R497 A498	R457-D495 PolarHBondContact NH2-O 2.95Å; Q491-D495 PolarHBondContact O-N 3.49Å; A492-D495 PolarHBondContact O-N 3.16Å; D495-R497 PolarHBondContact O-N 3.27Å; D495-R497 VanDerWaalsContact OD1-CB 3.3Å; D495-R497 WeakPolarHBondContact OD1-CB 3.47Å; D495-R497 WeakPolarHBondContact OD1-CG 3.3Å; D495-R497 IonicContact OD1-CZ 2.85Å; D495-R497 PolarHBondContact OD1-N 3.31Å; D495-R497 IonicContact OD1-NE 3.06Å; D495-R497 PolarHBondContact OD1-NE 2.91Å; D495-R497 IonicContact OD1-NH2 2.87Å; D495-R497 IonicContact OD2-CZ 2.72Å; D495-R497 VanDerWaalsContact OD2-CZ 3.32Å; D495-R497 IonicContact OD2-NE 2.64Å; D495-R497 PolarHBondContact OD2-NE 2.88Å; D495-R497 VanDerWaalsContact OD2-NE 3.14Å; D495-R497 IonicContact OD2-NH2 3.6Å; D495-R497 PolarHBondContact OD2-NH2 2.9Å; D495-A498 WeakPolarHBondContact O-CB 3.49Å; D495-A498 PolarHBondContact O-N 2.82Å
496	P	92.3	Very high	94.9	Very high	106 Å²	106	57.5 Å²	57.5	69%	0.688	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.4	-173.7	-25.7	36.5	0	0	0	114.6	R457 L494 A498	R457-P496 PolarHBondContact NH1-O 3.39Å; L494-P496 WeakPolarHBondContact O-CD 3.35Å; P496-A498 VanDerWaalsContact C-N 3.33Å
497	R	94.9	Very high	94.8	Very high	213 Å²	213	59.3 Å²	59.3	80%	0.804	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.5	-178.4	-55.2	170.3	-65.1	-179	5.7	113.3	D495	D495-R497 PolarHBondContact O-N 3.27Å; D495-R497 VanDerWaalsContact OD1-CB 3.3Å; D495-R497 WeakPolarHBondContact OD1-CB 3.47Å; D495-R497 WeakPolarHBondContact OD1-CG 3.3Å; D495-R497 IonicContact OD1-CZ 2.85Å; D495-R497 PolarHBondContact OD1-N 3.31Å; D495-R497 IonicContact OD1-NE 3.06Å; D495-R497 PolarHBondContact OD1-NE 2.91Å; D495-R497 IonicContact OD1-NH2 2.87Å; D495-R497 IonicContact OD2-CZ 2.72Å; D495-R497 VanDerWaalsContact OD2-CZ 3.32Å; D495-R497 IonicContact OD2-NE 2.64Å; D495-R497 PolarHBondContact OD2-NE 2.88Å; D495-R497 VanDerWaalsContact OD2-NE 3.14Å; D495-R497 IonicContact OD2-NH2 3.6Å; D495-R497 PolarHBondContact OD2-NH2 2.9Å
498	A	95.6	Very high	94.7	Very high	18 Å²	18	59.7 Å²	59.7	15%	0.149	33%	0.332	C	S	.	.	S	Bend	trans	-68.9	131.8	179.4	0	0	0	0	0	111.4	R457 A492 D495 P496 L503	R457-A498 PolarHBondContact NH1-O 2.74Å; A492-A498 HydrophobicContact CB-CB 4.11Å; A492-A498 WeakPolarHBondContact O-CB 3.46Å; D495-A498 WeakPolarHBondContact O-CB 3.49Å; D495-A498 PolarHBondContact O-N 2.82Å; P496-A498 VanDerWaalsContact C-N 3.33Å; A498-L503 HydrophobicContact CB-CD2 4.13Å
499	P	94.6	Very high	94.5	Very high	70 Å²	70	63.6 Å²	63.6	46%	0.455	36%	0.356	S	S	.	.			trans	-75.2	149.2	178.8	31.9	-35.3	0	0	0	111.5	S501 T502	P499-S501 PolarHBondContact O-N 2.87Å; P499-S501 VanDerWaalsContact O-N 3.07Å; P499-T502 HydrophobicContact CG-CG2 4.07Å; P499-T502 PolarHBondContact O-N 3.09Å; P499-T502 VanDerWaalsContact O-N 3.11Å; P499-T502 PolarHBondContact O-OG1 2.93Å
500	A	91.9	Very high	94.4	Very high	81 Å²	81	65.7 Å²	65.7	67%	0.669	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-56.1	-29.9	-179.1	0	0	0	0	0	113.8	T502 L503	A500-T502 VanDerWaalsContact C-N 3.29Å; A500-T502 PolarHBondContact O-N 3.27Å; A500-L503 PolarHBondContact O-N 2.94Å
501	S	89.1	Confident	94.3	Very high	106 Å²	106	65.8 Å²	65.8	74%	0.741	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.4	179.8	50.8	0	0	0	0	114.8	P499	P499-S501 PolarHBondContact O-N 2.87Å; P499-S501 VanDerWaalsContact O-N 3.07Å
502	T	91.4	Very high	94.2	Very high	75 Å²	75	65.2 Å²	65.2	46%	0.46	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-95.9	-4	177.7	55.3	0	0	0	0	113.4	P499 A500	P499-T502 HydrophobicContact CG-CG2 4.07Å; P499-T502 PolarHBondContact O-N 3.09Å; P499-T502 VanDerWaalsContact O-N 3.11Å; P499-T502 PolarHBondContact O-OG1 2.93Å; A500-T502 VanDerWaalsContact C-N 3.29Å; A500-T502 PolarHBondContact O-N 3.27Å
503	L	94.6	Very high	94.2	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.016	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-36.1	-173.8	-55.6	-174.8	0	0	0	112.8	R457 L459 W488 D489 A492 A498 A500 L505	R457-L503 HydrophobicContact CG-CD1 4.35Å; L459-L503 HydrophobicContact CD2-CB 4.24Å; L459-L503 HydrophobicContact CD2-CD1 3.48Å; L459-L503 VanDerWaalsContact CD2-CD1 3.48Å; L459-L503 HydrophobicContact CD2-CG 4.46Å; W488-L503 CarbonylContact C-O 3.59Å; W488-L503 WeakPolarHBondContact CA-O 3.28Å; W488-L503 WeakPolarHBondContact CB-O 3.24Å; W488-L503 HydrophobicContact CE3-CB 4.22Å; D489-L503 PolarHBondContact N-O 2.99Å; A492-L503 VanDerWaalsContact C-CD2 3.46Å; A492-L503 HydrophobicContact CB-CD2 3.68Å; A492-L503 WeakPolarHBondContact O-CD2 3.41Å; A498-L503 HydrophobicContact CB-CD2 4.13Å; A500-L503 PolarHBondContact O-N 2.94Å; L503-L505 PolarHBondContact O-N 3Å
504	C	95.3	Very high	94.3	Very high	45 Å²	45	70.4 Å²	70.4	30%	0.304	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.5	176.3	176.8	0	0	0	0	110.1	W488	W488-C504 HydrophobicContact CD2-CB 4.4Å; W488-C504 HydrophobicContact CE3-CB 3.7Å; W488-C504 HydrophobicContact CH2-CB 4.34Å; W488-C504 HydrophobicContact CZ3-CB 3.67Å
505	L	94.1	Very high	94.4	Very high	43 Å²	43	67 Å²	67	23%	0.225	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-49.3	178.3	-65.1	176.4	0	0	0	111.6	V487 D489 L503	V487-L505 HydrophobicContact CG1-CD1 4.4Å; V487-L505 PolarHBondContact O-N 3.03Å; D489-L505 HydrophobicContact CB-CD1 4.08Å; D489-L505 HydrophobicContact CB-CD2 4.14Å; D489-L505 HydrophobicContact CB-CG 4.05Å; L503-L505 PolarHBondContact O-N 3Å
506	R	95.5	Very high	94.6	Very high	108 Å²	108	65 Å²	65	41%	0.408	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.8	178.5	-72.7	-65.6	146.9	172.2	-1.1	112.5	R244 C245 K486 V487 L508	R244-R506 VanDerWaalsContact O-CZ 3.29Å; R244-R506 PolarHBondContact O-NE 3.19Å; R244-R506 PolarHBondContact O-NH2 3.43Å; C245-R506 PolarHBondContact O-NE 3.07Å; C245-R506 PolarHBondContact O-NH1 2.9Å; K486-R506 WeakPolarHBondContact CA-O 3.49Å; V487-R506 PolarHBondContact N-O 2.86Å; V487-R506 PolarHBondContact O-N 2.89Å; R506-L508 HydrophobicContact CB-CD2 4.47Å
507	T	96.6	Very high	94.8	Very high	54 Å²	54	61.9 Å²	61.9	33%	0.331	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.5	159.9	-56	0	0	0	0	107.7	K484 I485 K486 V509	K484-T507 HydrophobicContact CB-CG2 3.89Å; K484-T507 HydrophobicContact CD-CG2 3.81Å; K484-T507 HydrophobicContact CG-CG2 4.3Å; I485-T507 CarbonylContact O-C 3.59Å; I485-T507 WeakPolarHBondContact O-CA 3.35Å; K486-T507 HydrophobicContact CG-CG2 3.97Å; K486-T507 PolarHBondContact NZ-OG1 2.98Å; T507-V509 HydrophobicContact CG2-CG2 3.98Å
508	L	95.9	Very high	95	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.5	178.9	-55.3	173.5	0	0	0	108.4	I485 V487 R506 I525 W537 F539	I485-L508 HydrophobicContact CB-CB 4.35Å; I485-L508 PolarHBondContact N-O 2.99Å; I485-L508 PolarHBondContact O-N 3.01Å; V487-L508 HydrophobicContact CG2-CD1 4.26Å; R506-L508 HydrophobicContact CB-CD2 4.47Å; L508-I525 HydrophobicContact CD1-CD1 3.88Å; L508-W537 HydrophobicContact CB-CE3 4.35Å; L508-W537 HydrophobicContact CB-CH2 3.68Å; L508-W537 HydrophobicContact CB-CZ3 3.61Å; L508-W537 HydrophobicContact CD1-CD2 4.5Å; L508-W537 HydrophobicContact CD1-CE3 4.03Å; L508-W537 HydrophobicContact CD1-CZ3 4.14Å; L508-W537 HydrophobicContact CD2-CZ3 4.43Å; L508-W537 HydrophobicContact CG-CZ3 4.27Å; L508-F539 HydrophobicContact CD1-CZ 4.12Å
509	V	95.3	Very high	95.1	Very high	86 Å²	86	53.3 Å²	53.3	52%	0.521	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	89.4	-168.5	-169.7	0	0	0	0	110.6	K484 T507	K484-V509 HydrophobicContact CB-CG2 4.42Å; K484-V509 HydrophobicContact CD-CG2 4.21Å; K484-V509 HydrophobicContact CG-CG1 4.44Å; K484-V509 HydrophobicContact CG-CG2 3.98Å; T507-V509 HydrophobicContact CG2-CG2 3.98Å
510	E	94.3	Very high	95.2	Very high	81 Å²	81	51.1 Å²	51.1	38%	0.379	29%	0.289	S	S	.	.			trans	-136.9	-21.1	-178.5	-68.6	-71.1	163.8	0	0	113.6	L250 R252 L535 W537	L250-E510 HydrophobicContact CD2-CB 4.02Å; L250-E510 HydrophobicContact CD2-CG 3.59Å; R252-E510 IonicContact CZ-OE2 3.7Å; R252-E510 IonicContact NH2-OE2 3.74Å; R252-E510 PolarHBondContact NH2-OE2 2.91Å; E510-L535 HydrophobicContact CB-CD1 3.75Å; E510-W537 HydrophobicContact CB-CH2 3.42Å; E510-W537 VanDerWaalsContact CB-CH2 3.42Å; E510-W537 HydrophobicContact CB-CZ2 3.94Å; E510-W537 HydrophobicContact CB-CZ3 4.08Å; E510-W537 HydrophobicContact CG-CH2 3.42Å; E510-W537 VanDerWaalsContact CG-CH2 3.42Å; E510-W537 HydrophobicContact CG-CZ2 4.36Å; E510-W537 HydrophobicContact CG-CZ3 3.57Å
511	H	94.2	Very high	95.3	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.051	27%	0.267	C	S	.	.			trans	-74.5	142.7	167.9	-78.9	-59.1	0	0	0	110	V515 S527 S529 D531 T533 L535	H511-V515 HydrophobicContact CB-CG2 4.42Å; H511-S527 PolarHBondContact NE2-OG 2.94Å; H511-S529 WeakPolarHBondContact CE1-CB 3.18Å; H511-S529 WeakPolarHBondContact ND1-CB 3.26Å; H511-D531 WeakPolarHBondContact CA-OD2 3.47Å; H511-D531 WeakPolarHBondContact CB-OD2 3.24Å; H511-D531 IonicContact CG-OD2 3.62Å; H511-D531 IonicContact ND1-OD1 2.73Å; H511-D531 IonicContact ND1-OD2 2.71Å; H511-D531 PolarHBondContact ND1-OD2 2.8Å; H511-T533 PolarHBondContact CE1-OG1 3.22Å; H511-T533 PolarHBondContact ND1-OG1 3.11Å; H511-L535 VanDerWaalsContact CE1-CD1 3.48Å; H511-L535 WeakPolarHBondContact CE1-CD1 3.33Å; H511-L535 VanDerWaalsContact CE1-CG 3.43Å; H511-L535 WeakPolarHBondContact CE1-CG 3.28Å
512	S	93.2	Very high	95.5	Very high	115 Å²	115	45 Å²	45	80%	0.804	24%	0.236	S	C	*	.	S	Bend	trans	-100.6	-8.1	174.6	56	0	0	0	0	112.5	D531	S512-D531 PolarHBondContact N-OD2 2.91Å; S512-D531 VanDerWaalsContact OG-CB 3.29Å; S512-D531 WeakPolarHBondContact OG-CB 3.46Å
513	G	94.2	Very high	95.6	Very high	12 Å²	12	41.9 Å²	41.9	12%	0.124	22%	0.216	C	C	.	.	S	Bend	trans	-122	178.6	175.2	0	0	0	0	0	113.1	G483 V515 S529 D531	G483-G513 WeakPolarHBondContact CA-O 3.35Å; G513-V515 PolarHBondContact O-N 2.93Å; G513-S529 VanDerWaalsContact C-OG 3.28Å; G513-S529 PolarHBondContact O-OG 2.61Å; G513-D531 PolarHBondContact N-OD2 2.91Å
514	R	97.1	Very high	95.7	Very high	119 Å²	119	42.2 Å²	42.2	45%	0.449	22%	0.218	S	C	.	.			trans	-59.1	123.8	176.5	-62	171.3	-178.5	148.4	2.4	110.5	Y481 F516 S529 H530	Y481-R514 HydrophobicContact CD1-CB 3.65Å; Y481-R514 HydrophobicContact CD1-CG 3.71Å; Y481-R514 HydrophobicContact CD2-CG 4.4Å; Y481-R514 HydrophobicContact CE1-CB 4.07Å; Y481-R514 HydrophobicContact CE1-CG 4.24Å; Y481-R514 HydrophobicContact CG-CB 4.23Å; Y481-R514 HydrophobicContact CG-CG 3.78Å; Y481-R514 WeakPolarHBondContact O-CG 3.46Å; R514-F516 HydrophobicContact CB-CD1 4.47Å; R514-F516 HydrophobicContact CB-CE1 4.13Å; R514-F516 PolarHBondContact O-N 2.89Å; R514-S529 CarbonylContact O-C 3.58Å; R514-S529 VanDerWaalsContact O-CA 3.3Å; R514-S529 WeakPolarHBondContact O-CA 3.49Å; R514-S529 PolarHBondContact O-OG 3Å; R514-H530 HydrophobicContact CB-CB 4.19Å; R514-H530 PolarHBondContact O-N 3.41Å
515	V	98.1	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124	172.1	-163.9	0	0	0	0	108.5	R467 A480 I485 H511 G513	R467-V515 VanDerWaalsContact CB-O 3.32Å; R467-V515 WeakPolarHBondContact CB-O 3.44Å; R467-V515 WeakPolarHBondContact CG-O 3.46Å; A480-V515 PolarHBondContact O-N 2.85Å; I485-V515 HydrophobicContact CD1-CG1 4.32Å; I485-V515 HydrophobicContact CG1-CG1 4.35Å; I485-V515 HydrophobicContact CG1-CG2 4.07Å; H511-V515 HydrophobicContact CB-CG2 4.42Å; G513-V515 PolarHBondContact O-N 2.93Å
516	F	97.9	Very high	96	Very high	9 Å²	9	38 Å²	38	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-38.7	-176.1	-74.7	-37.3	0	0	0	113.4	V263 Y264 R467 C468 Y481 R514 S528 H530	V263-F516 WeakPolarHBondContact O-CB 3.18Å; Y264-F516 HydrophobicContact CD1-CD1 4.23Å; Y264-F516 AromaticContact CD1-CD2 3.7Å; Y264-F516 HydrophobicContact CD1-CD2 3.7Å; Y264-F516 HydrophobicContact CD1-CE1 4.28Å; Y264-F516 AromaticContact CD1-CE2 3.73Å; Y264-F516 HydrophobicContact CD1-CE2 3.73Å; Y264-F516 AromaticContact CD1-CG 3.96Å; Y264-F516 HydrophobicContact CD1-CG 3.96Å; Y264-F516 HydrophobicContact CD1-CZ 4.02Å; Y264-F516 HydrophobicContact CE1-CD1 4.46Å; Y264-F516 HydrophobicContact CE1-CD2 4.11Å; Y264-F516 HydrophobicContact CE1-CE1 4.04Å; Y264-F516 AromaticContact CE1-CE2 3.63Å; Y264-F516 HydrophobicContact CE1-CE2 3.63Å; Y264-F516 HydrophobicContact CE1-CG 4.5Å; Y264-F516 AromaticContact CE1-CZ 3.6Å; Y264-F516 HydrophobicContact CE1-CZ 3.6Å; Y264-F516 HydrophobicContact CG-CD2 4.45Å; R467-F516 HydrophobicContact CG-CD1 4.23Å; C468-F516 WeakPolarHBondContact CB-O 3.49Å; Y481-F516 HydrophobicContact CE1-CE1 4.33Å; R514-F516 HydrophobicContact CB-CD1 4.47Å; R514-F516 HydrophobicContact CB-CE1 4.13Å; R514-F516 PolarHBondContact O-N 2.89Å; F516-S528 PolarHBondContact N-O 2.88Å; F516-H530 HydrophobicContact CD2-CB 4.38Å; F516-H530 HydrophobicContact CE2-CB 3.63Å; F516-H530 AromaticContact CE2-CD2 3.94Å; F516-H530 HydrophobicContact CZ-CB 3.76Å; F516-H530 AromaticContact CZ-CD2 3.76Å
517	R	98.1	Very high	96.1	Very high	40 Å²	40	32.9 Å²	32.9	15%	0.151	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.1	177.4	-169.3	69.8	158.8	-155.2	-9.2	109.8	L266 H345 S527 S528	L266-R517 HydrophobicContact CD2-CB 4.21Å; L266-R517 HydrophobicContact CD2-CG 4.31Å; L266-R517 HydrophobicContact CG-CB 4.32Å; L266-R517 HydrophobicContact CG-CG 3.95Å; H345-R517 PolarHBondContact NE2-NH1 2.75Å; R517-S527 WeakPolarHBondContact O-CA 3.33Å; R517-S528 PolarHBondContact N-O 3.49Å; R517-S528 PolarHBondContact O-N 3.46Å
518	L	97.9	Very high	96.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.8	162.9	63.9	85.8	0	0	0	109.7	R470 V477 I485 F520 I525 I526	R470-L518 HydrophobicContact CB-CD1 4Å; R470-L518 HydrophobicContact CG-CD1 4.15Å; V477-L518 HydrophobicContact CB-CD1 3.99Å; V477-L518 HydrophobicContact CG1-CD1 3.78Å; V477-L518 HydrophobicContact CG1-CD2 3.84Å; V477-L518 HydrophobicContact CG1-CG 4.46Å; I485-L518 HydrophobicContact CG2-CD2 4.27Å; L518-F520 HydrophobicContact CD1-CD1 4.4Å; L518-I525 HydrophobicContact CB-CG2 4.38Å; L518-I526 CarbonylContact C-O 3.54Å; L518-I526 VanDerWaalsContact CA-O 3.25Å; L518-I526 WeakPolarHBondContact CA-O 3.42Å
519	Q	97.9	Very high	96.2	Very high	50 Å²	50	29.9 Å²	29.9	23%	0.234	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.9	163.4	177.1	-176.9	-24.6	0	0	106.1	L266 Q267 Y268 I526	L266-Q519 HydrophobicContact CD1-CB 4.03Å; Q267-Q519 VanDerWaalsContact CA-OE1 3.23Å; Y268-Q519 HydrophobicContact CD1-CB 3.86Å; Y268-Q519 VanDerWaalsContact CD1-CD 3.41Å; Y268-Q519 HydrophobicContact CD1-CG 3.81Å; Y268-Q519 HydrophobicContact CE1-CB 3.58Å; Y268-Q519 HydrophobicContact CE1-CG 3.4Å; Y268-Q519 VanDerWaalsContact CE1-CG 3.4Å; Y268-Q519 PolarHBondContact O-NE2 3.3Å; Q519-I526 PolarHBondContact N-O 2.96Å; Q519-I526 PolarHBondContact O-N 3.21Å; Q519-I526 VanDerWaalsContact O-O 3.09Å
520	F	97.3	Very high	96.2	Very high	24 Å²	24	29 Å²	29	11%	0.105	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	160.4	174.7	79.6	-77.1	0	0	0	110.4	W243 Y268 R470 D472 R475 V477 L518 Q524 I525	W243-F520 AromaticContact CH2-CD2 3.7Å; W243-F520 HydrophobicContact CH2-CD2 3.7Å; W243-F520 HydrophobicContact CH2-CE2 4.37Å; W243-F520 HydrophobicContact CH2-CG 4.48Å; W243-F520 HydrophobicContact CZ2-CD2 4.34Å; Y268-F520 VanDerWaalsContact OH-C 3.28Å; Y268-F520 WeakPolarHBondContact OH-CA 3.35Å; R470-F520 HydrophobicContact CB-CD1 3.84Å; R470-F520 HydrophobicContact CB-CE1 3.7Å; D472-F520 HydrophobicContact CB-CE2 4.12Å; D472-F520 HydrophobicContact CB-CZ 3.96Å; D472-F520 WeakPolarHBondContact OD2-CE2 3.46Å; R475-F520 HydrophobicContact CB-CE2 4.39Å; V477-F520 HydrophobicContact CB-CD1 3.75Å; V477-F520 HydrophobicContact CB-CE1 3.8Å; V477-F520 HydrophobicContact CB-CG 4.23Å; V477-F520 HydrophobicContact CB-CZ 4.29Å; V477-F520 HydrophobicContact CG2-CD1 3.68Å; V477-F520 HydrophobicContact CG2-CD2 3.76Å; V477-F520 HydrophobicContact CG2-CE1 3.62Å; V477-F520 HydrophobicContact CG2-CE2 3.69Å; V477-F520 HydrophobicContact CG2-CG 3.75Å; V477-F520 HydrophobicContact CG2-CZ 3.63Å; L518-F520 HydrophobicContact CD1-CD1 4.4Å; F520-Q524 CarbonylContact C-O 3.59Å; F520-Q524 WeakPolarHBondContact CA-O 3.35Å; F520-Q524 VanDerWaalsContact CB-O 3.28Å; F520-Q524 WeakPolarHBondContact CB-O 3.28Å; F520-I525 HydrophobicContact CB-CB 4.19Å; F520-I525 HydrophobicContact CB-CG1 3.82Å; F520-I525 HydrophobicContact CB-CG2 4.37Å
521	D	94.5	Very high	96.2	Very high	39 Å²	39	26.3 Å²	26.3	21%	0.209	13%	0.134	C	C	.	.			trans	-130.1	-169.8	171.1	57.8	58.3	0	0	0	109.5	R204 W243 Y268 F523 Q524	R204-D521 IonicContact NH2-OD1 2.65Å; W243-D521 WeakPolarHBondContact CZ2-O 3.43Å; Y268-D521 VanDerWaalsContact CE2-OD2 3.27Å; Y268-D521 WeakPolarHBondContact CE2-OD2 3.19Å; Y268-D521 VanDerWaalsContact OH-CG 3.31Å; Y268-D521 PolarHBondContact OH-N 3.05Å; Y268-D521 PolarHBondContact OH-OD2 3.49Å; D521-F523 PolarHBondContact O-N 2.82Å; D521-F523 VanDerWaalsContact O-N 3.14Å; D521-F523 WeakPolarHBondContact OD1-CA 3.39Å; D521-F523 WeakPolarHBondContact OD1-CB 3.46Å; D521-F523 PolarHBondContact OD1-N 2.74Å; D521-Q524 PolarHBondContact N-O 3.08Å; D521-Q524 PolarHBondContact OD1-N 3.17Å; D521-Q524 WeakPolarHBondContact OD2-CG 3.39Å; D521-Q524 PolarHBondContact OD2-NE2 2.94Å
522	E	93.3	Very high	96.2	Very high	20 Å²	20	25.9 Å²	25.9	9%	0.093	13%	0.131	C	C	.	.	S	Bend	trans	-61	-19.4	-179.4	-73.2	-71.4	171.2	0	0	114.4	L197 W243 K474 R475	L197-E522 HydrophobicContact CB-CB 4.47Å; L197-E522 HydrophobicContact CB-CG 4.07Å; L197-E522 HydrophobicContact CD1-CB 3.92Å; L197-E522 HydrophobicContact CD1-CG 4.41Å; W243-E522 PolarHBondContact NE1-O 2.95Å; K474-E522 VanDerWaalsContact CE-OE1 3.23Å; K474-E522 WeakPolarHBondContact CE-OE1 3.27Å; K474-E522 VanDerWaalsContact NZ-CD 3.28Å; K474-E522 IonicContact NZ-OE1 3.19Å; K474-E522 PolarHBondContact NZ-OE1 3.09Å; K474-E522 IonicContact NZ-OE2 3.06Å; K474-E522 PolarHBondContact NZ-OE2 3.48Å; R475-E522 IonicContact CZ-OE2 2.78Å; R475-E522 IonicContact NH1-OE2 3.96Å; R475-E522 IonicContact NH2-OE1 3.55Å; R475-E522 IonicContact NH2-OE2 3.57Å; R475-E522 PolarHBondContact NH2-OE2 3.06Å
523	F	93.5	Very high	96.3	Very high	9 Å²	9	21.2 Å²	21.2	4%	0.039	10%	0.098	C	C	.	.	S	Bend	trans	-116.2	-31.6	-172.1	-47.3	-77.4	0	0	0	113.8	L197 L201 I239 D521 F539 L540	L197-F523 HydrophobicContact CD1-CD1 4.45Å; L197-F523 HydrophobicContact CD1-CE1 3.58Å; L197-F523 HydrophobicContact CD1-CZ 3.79Å; L201-F523 HydrophobicContact CD2-CE1 3.65Å; L201-F523 HydrophobicContact CD2-CZ 4.35Å; L201-F523 HydrophobicContact CG-CE1 3.72Å; L201-F523 HydrophobicContact CG-CZ 4.02Å; I239-F523 HydrophobicContact CD1-CD1 4.27Å; I239-F523 HydrophobicContact CD1-CE1 4.21Å; D521-F523 PolarHBondContact O-N 2.82Å; D521-F523 VanDerWaalsContact O-N 3.14Å; D521-F523 WeakPolarHBondContact OD1-CA 3.39Å; D521-F523 WeakPolarHBondContact OD1-CB 3.46Å; D521-F523 PolarHBondContact OD1-N 2.74Å; F523-F539 WeakPolarHBondContact O-CB 3.09Å; F523-F539 WeakPolarHBondContact O-CD2 3.35Å; F523-F539 PolarHBondContact O-N 3.44Å; F523-L540 HydrophobicContact CB-CB 4.46Å; F523-L540 HydrophobicContact CD1-CB 4.42Å; F523-L540 HydrophobicContact CD1-CD1 4.37Å; F523-L540 HydrophobicContact CD1-CD2 4.39Å
524	Q	95	Very high	96.5	Very high	11 Å²	11	20.7 Å²	20.7	5%	0.051	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.9	-172.4	77.9	-148.5	-46.7	0	0	114.1	K287 F520 D521 I526 W537	K287-Q524 VanDerWaalsContact NZ-NE2 3.1Å; F520-Q524 CarbonylContact C-O 3.59Å; F520-Q524 WeakPolarHBondContact CA-O 3.35Å; F520-Q524 VanDerWaalsContact CB-O 3.28Å; F520-Q524 WeakPolarHBondContact CB-O 3.28Å; D521-Q524 PolarHBondContact N-O 3.08Å; D521-Q524 PolarHBondContact OD1-N 3.17Å; D521-Q524 WeakPolarHBondContact OD2-CG 3.39Å; D521-Q524 PolarHBondContact OD2-NE2 2.94Å; Q524-I526 HydrophobicContact CG-CG1 4.41Å; Q524-W537 CarbonylContact C-O 3.56Å; Q524-W537 WeakPolarHBondContact CA-O 3.45Å; Q524-W537 WeakPolarHBondContact CB-O 3.32Å
525	I	97.8	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.6	160.3	-56.1	162.3	0	0	0	107.6	W243 V477 V487 L508 L518 F520 W537 F539	W243-I525 HydrophobicContact CH2-CD1 4.06Å; W243-I525 HydrophobicContact CH2-CG1 3.62Å; W243-I525 HydrophobicContact CZ3-CD1 3.85Å; W243-I525 HydrophobicContact CZ3-CG1 3.96Å; V477-I525 HydrophobicContact CG1-CD1 3.91Å; V477-I525 HydrophobicContact CG1-CG1 4.27Å; V477-I525 HydrophobicContact CG1-CG2 4.44Å; V487-I525 HydrophobicContact CG2-CD1 4.38Å; L508-I525 HydrophobicContact CD1-CD1 3.88Å; L518-I525 HydrophobicContact CB-CG2 4.38Å; F520-I525 HydrophobicContact CB-CB 4.19Å; F520-I525 HydrophobicContact CB-CG1 3.82Å; F520-I525 HydrophobicContact CB-CG2 4.37Å; I525-W537 HydrophobicContact CB-CB 4.12Å; I525-W537 HydrophobicContact CB-CG 4.17Å; I525-W537 PolarHBondContact N-O 2.91Å; I525-W537 PolarHBondContact O-N 3.09Å; I525-F539 HydrophobicContact CD1-CE2 3.9Å; I525-F539 HydrophobicContact CD1-CZ 4.06Å; I525-F539 HydrophobicContact CG1-CE2 4.01Å
526	I	98.1	Very high	96.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.3	161.2	-54.7	-165.7	0	0	0	108.2	L266 Y268 I273 L518 Q519 Q524 I534 L535 I536	L266-I526 HydrophobicContact CD1-CB 4.24Å; L266-I526 HydrophobicContact CD1-CG2 3.98Å; L266-I526 HydrophobicContact CD2-CG2 4.32Å; Y268-I526 HydrophobicContact CD1-CB 3.69Å; Y268-I526 HydrophobicContact CD1-CD1 3.53Å; Y268-I526 HydrophobicContact CD1-CG1 3.69Å; Y268-I526 HydrophobicContact CD1-CG2 4.44Å; Y268-I526 HydrophobicContact CD2-CD1 4.16Å; Y268-I526 HydrophobicContact CE1-CB 3.69Å; Y268-I526 HydrophobicContact CE1-CD1 3.84Å; Y268-I526 HydrophobicContact CE1-CG1 3.56Å; Y268-I526 HydrophobicContact CE2-CD1 4.45Å; Y268-I526 HydrophobicContact CG-CD1 3.68Å; Y268-I526 HydrophobicContact CG-CG1 4.34Å; I273-I526 HydrophobicContact CD1-CD1 3.8Å; I273-I526 HydrophobicContact CG1-CD1 4.14Å; L518-I526 CarbonylContact C-O 3.54Å; L518-I526 VanDerWaalsContact CA-O 3.25Å; L518-I526 WeakPolarHBondContact CA-O 3.42Å; Q519-I526 PolarHBondContact N-O 2.96Å; Q519-I526 PolarHBondContact O-N 3.21Å; Q519-I526 VanDerWaalsContact O-O 3.09Å; Q524-I526 HydrophobicContact CG-CG1 4.41Å; I526-I534 HydrophobicContact CG2-CG2 3.5Å; I526-L535 WeakPolarHBondContact CA-O 3.33Å; I526-I536 HydrophobicContact CD1-CD1 4.29Å; I526-I536 HydrophobicContact CD1-CG1 4.08Å; I526-I536 HydrophobicContact CD1-CG2 4.29Å; I526-I536 HydrophobicContact CG1-CB 4.49Å; I526-I536 HydrophobicContact CG1-CG1 4.19Å; I526-I536 HydrophobicContact CG1-CG2 4.15Å; I526-I536 HydrophobicContact CG2-CG1 4.38Å
527	S	98.2	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.4	-176.2	63.8	0	0	0	0	112.3	I485 H511 R517 I534 L535 W537	I485-S527 WeakPolarHBondContact CD1-OG 3.32Å; H511-S527 PolarHBondContact NE2-OG 2.94Å; R517-S527 WeakPolarHBondContact O-CA 3.33Å; S527-I534 CarbonylContact O-C 3.57Å; S527-I534 VanDerWaalsContact O-CA 3.31Å; S527-I534 WeakPolarHBondContact O-CA 3.45Å; S527-L535 PolarHBondContact N-O 3.36Å; S527-L535 PolarHBondContact O-N 2.82Å; S527-W537 PolarHBondContact OG-NE1 2.84Å
528	S	97.6	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.2	179	79.1	0	0	0	0	112	V263 F516 R517	V263-S528 PolarHBondContact O-OG 2.95Å; F516-S528 PolarHBondContact N-O 2.88Å; R517-S528 PolarHBondContact N-O 3.49Å; R517-S528 PolarHBondContact O-N 3.46Å
529	S	97.2	Very high	96	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	167	-167.4	169.8	0	0	0	0	113.7	G262 V263 H511 G513 R514 D531 T533	G262-S529 WeakPolarHBondContact CA-O 3.29Å; V263-S529 PolarHBondContact N-O 3.42Å; H511-S529 WeakPolarHBondContact CE1-CB 3.18Å; H511-S529 WeakPolarHBondContact ND1-CB 3.26Å; G513-S529 VanDerWaalsContact C-OG 3.28Å; G513-S529 PolarHBondContact O-OG 2.61Å; R514-S529 CarbonylContact O-C 3.58Å; R514-S529 VanDerWaalsContact O-CA 3.3Å; R514-S529 WeakPolarHBondContact O-CA 3.49Å; R514-S529 PolarHBondContact O-OG 3Å; S529-D531 VanDerWaalsContact CB-OD1 3.27Å; S529-D531 WeakPolarHBondContact CB-OD1 3.38Å; S529-D531 WeakPolarHBondContact CB-OD2 3.43Å; S529-D531 PolarHBondContact O-N 3.31Å; S529-D531 PolarHBondContact OG-N 3.45Å; S529-D531 VanDerWaalsContact OG-N 3.14Å; S529-D531 PolarHBondContact OG-OD1 2.58Å; S529-D531 PolarHBondContact OG-OD2 3.38Å; S529-T533 PolarHBondContact N-O 3.39Å
530	H	95.8	Very high	95.5	Very high	67 Å²	67	12.7 Å²	12.7	31%	0.31	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20	167.3	-174.8	-92.1	0	0	0	113.6	R514 F516 D532	R514-H530 HydrophobicContact CB-CB 4.19Å; R514-H530 PolarHBondContact O-N 3.41Å; F516-H530 HydrophobicContact CD2-CB 4.38Å; F516-H530 HydrophobicContact CE2-CB 3.63Å; F516-H530 AromaticContact CE2-CD2 3.94Å; F516-H530 HydrophobicContact CZ-CB 3.76Å; F516-H530 AromaticContact CZ-CD2 3.76Å; H530-D532 PolarHBondContact O-N 2.97Å; H530-D532 VanDerWaalsContact O-N 3.17Å
531	D	93.3	Very high	94.6	Very high	26 Å²	26	16.2 Å²	16.2	14%	0.139	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	5.7	176.9	57.3	38.1	0	0	0	114.6	H511 S512 G513 S529 T533	H511-D531 WeakPolarHBondContact CA-OD2 3.47Å; H511-D531 WeakPolarHBondContact CB-OD2 3.24Å; H511-D531 IonicContact CG-OD2 3.62Å; H511-D531 IonicContact ND1-OD1 2.73Å; H511-D531 IonicContact ND1-OD2 2.71Å; H511-D531 PolarHBondContact ND1-OD2 2.8Å; S512-D531 PolarHBondContact N-OD2 2.91Å; S512-D531 VanDerWaalsContact OG-CB 3.29Å; S512-D531 WeakPolarHBondContact OG-CB 3.46Å; G513-D531 PolarHBondContact N-OD2 2.91Å; S529-D531 VanDerWaalsContact CB-OD1 3.27Å; S529-D531 WeakPolarHBondContact CB-OD1 3.38Å; S529-D531 WeakPolarHBondContact CB-OD2 3.43Å; S529-D531 PolarHBondContact O-N 3.31Å; S529-D531 PolarHBondContact OG-N 3.45Å; S529-D531 VanDerWaalsContact OG-N 3.14Å; S529-D531 PolarHBondContact OG-OD1 2.58Å; S529-D531 PolarHBondContact OG-OD2 3.38Å; D531-T533 VanDerWaalsContact C-N 3.25Å; D531-T533 PolarHBondContact O-N 2.9Å; D531-T533 WeakPolarHBondContact OD1-CB 3.48Å; D531-T533 PolarHBondContact OD1-N 3.11Å; D531-T533 PolarHBondContact OD1-OG1 3.49Å
532	D	93.4	Very high	93.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.084	C	C	.	.	S	Bend	trans	70.1	16.4	179.8	-163.3	69.3	0	0	0	114.3	Q254 C255 R256 S257 K261 G262 H530	Q254-D532 PolarHBondContact NE2-O 3.48Å; Q254-D532 VanDerWaalsContact NE2-O 3.09Å; Q254-D532 PolarHBondContact NE2-OD2 2.76Å; C255-D532 WeakPolarHBondContact CB-O 3.45Å; C255-D532 PolarHBondContact N-O 2.69Å; R256-D532 WeakPolarHBondContact CA-OD2 3.45Å; R256-D532 PolarHBondContact N-OD2 3.26Å; S257-D532 WeakPolarHBondContact CB-OD1 3.45Å; S257-D532 PolarHBondContact N-OD2 2.82Å; S257-D532 PolarHBondContact OG-OD1 2.6Å; K261-D532 HydrophobicContact CB-CB 3.98Å; K261-D532 HydrophobicContact CD-CB 4.13Å; K261-D532 HydrophobicContact CG-CB 3.98Å; G262-D532 PolarHBondContact N-OD1 3.02Å; H530-D532 PolarHBondContact O-N 2.97Å; H530-D532 VanDerWaalsContact O-N 3.17Å
533	T	96.3	Very high	92.6	Very high	18 Å²	18	18.2 Å²	18.2	11%	0.11	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.8	173.6	71.1	0	0	0	0	113.5	I253 H511 S529 D531	I253-T533 VanDerWaalsContact O-CA 3.28Å; I253-T533 WeakPolarHBondContact O-CA 3.27Å; H511-T533 PolarHBondContact CE1-OG1 3.22Å; H511-T533 PolarHBondContact ND1-OG1 3.11Å; S529-T533 PolarHBondContact N-O 3.39Å; D531-T533 VanDerWaalsContact C-N 3.25Å; D531-T533 PolarHBondContact O-N 2.9Å; D531-T533 WeakPolarHBondContact OD1-CB 3.48Å; D531-T533 PolarHBondContact OD1-N 3.11Å; D531-T533 PolarHBondContact OD1-OG1 3.49Å
534	I	97.6	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.2	155.6	-56.7	169.1	0	0	0	106.7	I253 V263 I526 S527	I253-I534 HydrophobicContact CB-CB 4.2Å; I253-I534 HydrophobicContact CD1-CB 4.5Å; I253-I534 PolarHBondContact N-O 3.02Å; I253-I534 PolarHBondContact O-N 3.29Å; V263-I534 HydrophobicContact CG1-CD1 4.43Å; V263-I534 HydrophobicContact CG1-CG1 4.34Å; V263-I534 HydrophobicContact CG2-CG1 4.45Å; I526-I534 HydrophobicContact CG2-CG2 3.5Å; S527-I534 CarbonylContact O-C 3.57Å; S527-I534 VanDerWaalsContact O-CA 3.31Å; S527-I534 WeakPolarHBondContact O-CA 3.45Å
535	L	97.6	Very high	88.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.8	177.2	-60.9	-179.5	0	0	0	109.7	L250 R252 E510 H511 I526 S527 W537	L250-L535 HydrophobicContact CD1-CB 4.13Å; L250-L535 HydrophobicContact CD1-CD2 4.43Å; R252-L535 HydrophobicContact CB-CD2 3.96Å; R252-L535 HydrophobicContact CG-CD2 3.42Å; R252-L535 VanDerWaalsContact CG-CD2 3.42Å; E510-L535 HydrophobicContact CB-CD1 3.75Å; H511-L535 VanDerWaalsContact CE1-CD1 3.48Å; H511-L535 WeakPolarHBondContact CE1-CD1 3.33Å; H511-L535 VanDerWaalsContact CE1-CG 3.43Å; H511-L535 WeakPolarHBondContact CE1-CG 3.28Å; I526-L535 WeakPolarHBondContact CA-O 3.33Å; S527-L535 PolarHBondContact N-O 3.36Å; S527-L535 PolarHBondContact O-N 2.82Å; L535-W537 HydrophobicContact CD1-CZ2 3.75Å
536	I	97.1	Very high	85.7	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119	172.7	-51.3	178.2	0	0	0	107.3	L250 Q251 I273 L290 I526	L250-I536 WeakPolarHBondContact CA-O 3.39Å; Q251-I536 HydrophobicContact CB-CB 4.23Å; Q251-I536 PolarHBondContact N-O 2.58Å; Q251-I536 PolarHBondContact O-N 3.25Å; I273-I536 HydrophobicContact CD1-CD1 3.74Å; I273-I536 HydrophobicContact CD1-CG1 4.41Å; L290-I536 HydrophobicContact CD2-CD1 3.59Å; I526-I536 HydrophobicContact CD1-CD1 4.29Å; I526-I536 HydrophobicContact CD1-CG1 4.08Å; I526-I536 HydrophobicContact CD1-CG2 4.29Å; I526-I536 HydrophobicContact CG1-CB 4.49Å; I526-I536 HydrophobicContact CG1-CG1 4.19Å; I526-I536 HydrophobicContact CG1-CG2 4.15Å; I526-I536 HydrophobicContact CG2-CG1 4.38Å
537	W	96.4	Very high	83.2	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	98.6	-175.2	-48.2	71	0	0	0	108.2	H248 N249 L250 I485 L508 E510 Q524 I525 S527 L535 F539	H248-W537 AromaticContact CD2-CE3 3.56Å; H248-W537 AromaticContact CE1-CE3 3.89Å; H248-W537 AromaticContact CE1-CZ3 3.92Å; H248-W537 AromaticContact NE2-CE3 3.38Å; H248-W537 AromaticContact NE2-CZ3 3.59Å; N249-W537 WeakPolarHBondContact O-CA 3.18Å; L250-W537 HydrophobicContact CD1-CD2 3.76Å; L250-W537 HydrophobicContact CD1-CE3 3.91Å; L250-W537 HydrophobicContact CD1-CG 4.07Å; L250-W537 HydrophobicContact CD1-CZ3 4.39Å; I485-W537 HydrophobicContact CD1-CZ2 3.93Å; L508-W537 HydrophobicContact CB-CE3 4.35Å; L508-W537 HydrophobicContact CB-CH2 3.68Å; L508-W537 HydrophobicContact CB-CZ3 3.61Å; L508-W537 HydrophobicContact CD1-CD2 4.5Å; L508-W537 HydrophobicContact CD1-CE3 4.03Å; L508-W537 HydrophobicContact CD1-CZ3 4.14Å; L508-W537 HydrophobicContact CD2-CZ3 4.43Å; L508-W537 HydrophobicContact CG-CZ3 4.27Å; E510-W537 HydrophobicContact CB-CH2 3.42Å; E510-W537 VanDerWaalsContact CB-CH2 3.42Å; E510-W537 HydrophobicContact CB-CZ2 3.94Å; E510-W537 HydrophobicContact CB-CZ3 4.08Å; E510-W537 HydrophobicContact CG-CH2 3.42Å; E510-W537 VanDerWaalsContact CG-CH2 3.42Å; E510-W537 HydrophobicContact CG-CZ2 4.36Å; E510-W537 HydrophobicContact CG-CZ3 3.57Å; Q524-W537 CarbonylContact C-O 3.56Å; Q524-W537 WeakPolarHBondContact CA-O 3.45Å; Q524-W537 WeakPolarHBondContact CB-O 3.32Å; I525-W537 HydrophobicContact CB-CB 4.12Å; I525-W537 HydrophobicContact CB-CG 4.17Å; I525-W537 PolarHBondContact N-O 2.91Å; I525-W537 PolarHBondContact O-N 3.09Å; S527-W537 PolarHBondContact OG-NE1 2.84Å; L535-W537 HydrophobicContact CD1-CZ2 3.75Å; W537-F539 HydrophobicContact CB-CE2 4.03Å; W537-F539 HydrophobicContact CB-CZ 4.41Å; W537-F539 WeakPolarHBondContact O-CD2 3.47Å
538	D	94.6	Very high	80.3	Confident	19 Å²	19	46.6 Å²	46.6	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.5	-177.6	176.3	32.8	0	0	0	111.5	H248 N249 L540 N541	H248-D538 CarbonylContact C-O 3.57Å; H248-D538 WeakPolarHBondContact CA-O 3.26Å; N249-D538 HydrophobicContact CB-CB 4.42Å; N249-D538 PolarHBondContact N-O 3.28Å; N249-D538 PolarHBondContact O-N 2.91Å; D538-L540 VanDerWaalsContact OD1-CB 3.3Å; D538-L540 WeakPolarHBondContact OD1-CB 3.45Å; D538-L540 PolarHBondContact OD1-N 3.34Å; D538-N541 VanDerWaalsContact OD2-CB 3.28Å; D538-N541 WeakPolarHBondContact OD2-CB 3.46Å; D538-N541 PolarHBondContact OD2-N 2.92Å; D538-N541 VanDerWaalsContact OD2-N 3.08Å; D538-N541 PolarHBondContact OD2-ND2 2.84Å
539	F	93.4	Very high	77.6	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	32%	0.32	C	S	.	.	S	Bend	trans	-93.9	-4.3	178	-60.3	-91.2	0	0	0	112.8	N242 W243 R247 H248 L508 F523 I525 W537	N242-F539 HydrophobicContact CB-CB 4.23Å; N242-F539 HydrophobicContact CB-CD1 4.48Å; N242-F539 WeakPolarHBondContact CB-O 3.46Å; N242-F539 PolarHBondContact ND2-O 3.3Å; W243-F539 HydrophobicContact CD2-CD1 4.16Å; W243-F539 AromaticContact CD2-CD2 3.99Å; W243-F539 HydrophobicContact CD2-CD2 3.99Å; W243-F539 HydrophobicContact CD2-CE1 4.38Å; W243-F539 HydrophobicContact CD2-CE2 4.24Å; W243-F539 AromaticContact CD2-CG 3.97Å; W243-F539 HydrophobicContact CD2-CG 3.97Å; W243-F539 HydrophobicContact CD2-CZ 4.43Å; W243-F539 AromaticContact CE2-CD2 3.67Å; W243-F539 AromaticContact CE2-CG 3.89Å; W243-F539 HydrophobicContact CE3-CD2 4.32Å; W243-F539 HydrophobicContact CE3-CE1 4.31Å; W243-F539 HydrophobicContact CE3-CE2 4.09Å; W243-F539 HydrophobicContact CE3-CZ 4.09Å; W243-F539 HydrophobicContact CG-CB 4.4Å; W243-F539 HydrophobicContact CG-CD1 4.17Å; W243-F539 HydrophobicContact CG-CG 4.15Å; W243-F539 HydrophobicContact CH2-CD2 4.1Å; W243-F539 AromaticContact CH2-CE2 3.9Å; W243-F539 HydrophobicContact CH2-CE2 3.9Å; W243-F539 AromaticContact CZ2-CD2 3.73Å; W243-F539 HydrophobicContact CZ2-CD2 3.73Å; W243-F539 HydrophobicContact CZ2-CE2 4.02Å; W243-F539 HydrophobicContact CZ2-CG 4.41Å; W243-F539 HydrophobicContact CZ3-CD2 4.39Å; W243-F539 AromaticContact CZ3-CE2 3.94Å; W243-F539 HydrophobicContact CZ3-CE2 3.94Å; W243-F539 HydrophobicContact CZ3-CZ 4.2Å; W243-F539 AromaticContact NE1-CG 3.99Å; R247-F539 VanDerWaalsContact O-CD1 3.26Å; R247-F539 WeakPolarHBondContact O-CD1 3.18Å; H248-F539 HydrophobicContact CB-CD1 4.04Å; H248-F539 HydrophobicContact CB-CE1 3.92Å; H248-F539 HydrophobicContact CB-CG 4.48Å; H248-F539 HydrophobicContact CB-CZ 4.25Å; L508-F539 HydrophobicContact CD1-CZ 4.12Å; F523-F539 WeakPolarHBondContact O-CB 3.09Å; F523-F539 WeakPolarHBondContact O-CD2 3.35Å; F523-F539 PolarHBondContact O-N 3.44Å; I525-F539 HydrophobicContact CD1-CE2 3.9Å; I525-F539 HydrophobicContact CD1-CZ 4.06Å; I525-F539 HydrophobicContact CG1-CE2 4.01Å; W537-F539 HydrophobicContact CB-CE2 4.03Å; W537-F539 HydrophobicContact CB-CZ 4.41Å; W537-F539 WeakPolarHBondContact O-CD2 3.47Å
540	L	88.6	Confident	74.6	Confident	24 Å²	24	59.8 Å²	59.8	13%	0.126	36%	0.358	C	S	.	.	S	Bend	trans	-81.8	-66.4	176.3	-178.2	65.6	0	0	0	111.4	L201 R204 I239 F523 D538 V542	L201-L540 HydrophobicContact CD2-CD1 3.95Å; R204-L540 HydrophobicContact CB-CD2 4.4Å; I239-L540 HydrophobicContact CD1-CD1 3.56Å; I239-L540 HydrophobicContact CG1-CD1 3.88Å; F523-L540 HydrophobicContact CB-CB 4.46Å; F523-L540 HydrophobicContact CD1-CB 4.42Å; F523-L540 HydrophobicContact CD1-CD1 4.37Å; F523-L540 HydrophobicContact CD1-CD2 4.39Å; D538-L540 VanDerWaalsContact OD1-CB 3.3Å; D538-L540 WeakPolarHBondContact OD1-CB 3.45Å; D538-L540 PolarHBondContact OD1-N 3.34Å; L540-V542 PolarHBondContact O-N 2.54Å
541	N	77.9	Confident	71.7	Confident	99 Å²	99	67.9 Å²	67.9	53%	0.529	39%	0.386	S	S	.	.	S	Bend	trans	-85.1	33.2	-164.8	-56.7	-79.3	0	0	0	114.3	N249 D538 S543	N249-N541 PolarHBondContact ND2-O 3.31Å; D538-N541 VanDerWaalsContact OD2-CB 3.28Å; D538-N541 WeakPolarHBondContact OD2-CB 3.46Å; D538-N541 PolarHBondContact OD2-N 2.92Å; D538-N541 VanDerWaalsContact OD2-N 3.08Å; D538-N541 PolarHBondContact OD2-ND2 2.84Å; N541-S543 PolarHBondContact O-N 3.27Å; N541-S543 VanDerWaalsContact O-N 3.1Å
542	V	78.6	Confident	68.6	Low	36 Å²	36	71.8 Å²	71.8	22%	0.218	42%	0.415	C	S	.	.			trans	-55.8	115.2	-170.1	176.7	0	0	0	0	111.8	N242 R247 L540	N242-V542 HydrophobicContact CB-CG2 4.3Å; N242-V542 VanDerWaalsContact ND2-CG2 3.33Å; N242-V542 WeakPolarHBondContact ND2-CG2 3.23Å; R247-V542 HydrophobicContact CB-CG1 3.95Å; R247-V542 HydrophobicContact CB-CG2 4.39Å; L540-V542 PolarHBondContact O-N 2.54Å
543	S	67.2	Low	65.8	Low	65 Å²	65	77.7 Å²	77.7	46%	0.455	45%	0.454	S	S	.	.			trans	-66.7	125.6	177.7	-69.5	0	0	0	0	111.3	N249 N541 N545 G546	N249-S543 PolarHBondContact OD1-N 3.34Å; N249-S543 VanDerWaalsContact OD1-N 3.11Å; N541-S543 PolarHBondContact O-N 3.27Å; N541-S543 VanDerWaalsContact O-N 3.1Å; S543-N545 PolarHBondContact O-N 2.87Å; S543-N545 VanDerWaalsContact O-N 3.13Å; S543-G546 PolarHBondContact O-N 3.21Å
544	P	55.5	Low	62.7	Low	129 Å²	129	82 Å²	82	84%	0.838	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.1	-177.4	-27.8	35.1	0	0	0	114.4
545	N	44.5	Very low	59.5	Low	161 Å²	161	91.7 Å²	91.7	86%	0.861	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	13.8	-179.6	-62.7	-4.2	0	0	0	112.9	S543 Q547	S543-N545 PolarHBondContact O-N 2.87Å; S543-N545 VanDerWaalsContact O-N 3.13Å; N545-Q547 PolarHBondContact O-N 3.33Å
546	G	41.4	Very low	56.3	Low	53 Å²	53	97.6 Å²	97.6	55%	0.546	56%	0.558	S	S	.	*			trans	-71.2	-9.6	-173.9	0	0	0	0	0	115.6	S543 S548	S543-G546 PolarHBondContact O-N 3.21Å; G546-S548 PolarHBondContact O-N 2.92Å
547	Q	45.4	Very low	53.1	Low	167 Å²	167	105.7 Å²	105.7	78%	0.78	59%	0.589	S	S	*	*			trans	-82.4	96.7	175.5	-71	-168.1	-20.6	0	0	111.2	N545	N545-Q547 PolarHBondContact O-N 3.33Å
548	S	36.2	Very low	50	Low	105 Å²	105	111.6 Å²	111.6	73%	0.734	63%	0.625	S	S	*	*			trans	-60.6	161.8	146	54.6	0	0	0	0	110	G546 G550	G546-S548 PolarHBondContact O-N 2.92Å; S548-G550 VanDerWaalsContact C-N 3.3Å; S548-G550 PolarHBondContact O-N 3.29Å
549	E	41.4	Very low	46.9	Very low	200 Å²	200	121.2 Å²	121.2	94%	0.935	66%	0.662	S	S	*	*			trans	-68.5	72.7	-164.2	-61.5	-176.9	119.7	0	0	115.1	R551	E549-R551 PolarHBondContact O-N 3.15Å
550	G	34.4	Very low	44.2	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	70%	0.699	S	S	*	*			trans	-76.4	84.6	175.4	0	0	0	0	0	112.5	S548	S548-G550 VanDerWaalsContact C-N 3.3Å; S548-G550 PolarHBondContact O-N 3.29Å
551	R	34.6	Very low	41.8	Very low	237 Å²	237	132.6 Å²	132.6	89%	0.894	73%	0.73	S	S	*	*			trans	0.4	122.4	170.2	-69.9	179.9	175.6	171	-0.9	116.9	E549	E549-R551 PolarHBondContact O-N 3.15Å
552	S	27.9	Very low	40	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	76%	0.761	S	S	*	*			trans	-51	146.5	165	48.8	0	0	0	0	112.2	S554	S552-S554 PolarHBondContact O-N 2.78Å; S552-S554 VanDerWaalsContact O-N 3.11Å
553	P	35.9	Very low	38	Very low	125 Å²	125	148.3 Å²	148.3	81%	0.812	79%	0.788	S	S	*	*			trans	-62.8	118.5	-175.8	25.1	-34.2	0	0	0	110.3	R555	P553-R555 PolarHBondContact O-N 3.06Å
554	S	30.5	Very low	36.5	Very low	109 Å²	109	152.6 Å²	152.6	76%	0.762	81%	0.806	S	S	*	*			trans	-60.3	108.2	175.9	51.7	0	0	0	0	109.7	S552 T556	S552-S554 PolarHBondContact O-N 2.78Å; S552-S554 VanDerWaalsContact O-N 3.11Å; S554-T556 PolarHBondContact O-N 2.76Å
555	R	30.7	Very low	35.5	Very low	204 Å²	204	153.9 Å²	153.9	77%	0.77	80%	0.804	S	S	*	*			trans	-60.8	105.3	174	-73.8	-177.4	174.8	-179.3	-1	110	P553 Y557	P553-R555 PolarHBondContact O-N 3.06Å; R555-Y557 VanDerWaalsContact C-N 3.35Å; R555-Y557 HydrophobicContact CB-CD2 4.27Å; R555-Y557 HydrophobicContact CB-CE2 4.24Å; R555-Y557 PolarHBondContact O-N 2.97Å
556	T	30.5	Very low	34.9	Very low	125 Å²	125	153.5 Å²	153.5	77%	0.767	80%	0.801	S	S	*	*			trans	-66.9	92.4	169.5	-50.3	0	0	0	0	109.5	S554 T558	S554-T556 PolarHBondContact O-N 2.76Å; T556-T558 PolarHBondContact O-N 2.82Å; T556-T558 VanDerWaalsContact O-N 3.16Å
557	Y	29.7	Very low	34.5	Very low	174 Å²	174	159.8 Å²	159.8	68%	0.682	82%	0.817	S	S	*	*			trans	-70.8	103.8	168.5	-88.4	-87.9	0	0	0	109.2	R555 Y559	R555-Y557 VanDerWaalsContact C-N 3.35Å; R555-Y557 HydrophobicContact CB-CD2 4.27Å; R555-Y557 HydrophobicContact CB-CE2 4.24Å; R555-Y557 PolarHBondContact O-N 2.97Å; Y557-Y559 PolarHBondContact O-N 3.12Å
558	T	31.1	Very low	33.8	Very low	125 Å²	125	159.3 Å²	159.3	77%	0.767	82%	0.819	S	S	*	*			trans	-66.9	98.4	166.1	19.4	0	0	0	0	109.6	T556 I560	T556-T558 PolarHBondContact O-N 2.82Å; T556-T558 VanDerWaalsContact O-N 3.16Å; T558-I560 PolarHBondContact O-N 3.35Å; T558-I560 VanDerWaalsContact O-N 3.14Å
559	Y	29.4	Very low	33.6	Very low	221 Å²	221	163.2 Å²	163.2	87%	0.867	83%	0.825	S	S	*	*			trans	-67.4	107.6	166.2	-96.2	-89.9	0	0	0	109.5	Y557	Y557-Y559 PolarHBondContact O-N 3.12Å
560	I	36.2	Very low	33	Very low	155 Å²	155	160.4 Å²	160.4	80%	0.795	82%	0.817	S	S	*	*			trans	-86.9	103.6	164.1	-58.7	175.8	0	0	0	106.7	T558	T558-I560 PolarHBondContact O-N 3.35Å; T558-I560 VanDerWaalsContact O-N 3.14Å
561	S	38.1	Very low	32.9	Very low	109 Å²	109	167.3 Å²	167.3	76%	0.762	82%	0.819	S	S	*	*			trans	-66.4	136.6	164.1	50.3	0	0	0	0	109.6
562	R	40.4	Very low	32.8	Very low	316 Å²	316	161 Å²	161	100%	1.192	81%	0.812	S	S	*	*			trans	-77.7	0	167.5	-71.1	-178	174.1	-179.3	-2.6	111

Retrieved 562 of 562 residues in 964 ms (Link to these results)

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